A0A3Q0KH84_SCHMA Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KH84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 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
1M38.6Very low48.2Very low224 Ų224116.2 Ų116.2100%1.10359%0.587SS**  0-5.80-138.4168.6163.900114.5
2R38Very low50.1Low216 Ų216111.7 Ų111.782%0.81559%0.591SS**  trans-89.4-14.2169.2-77.7-173.9178.6-178.6-0.8115.4S4R2-S4 PolarHBondContact O-N 3.15Å
3L43.3Very low51.9Low88 Ų88113.2 Ų113.246%0.46159%0.59SS.*THydrogen-bonded Turntrans-72.4-23-178.1-85.4150.1000113.8I7 L67L3-I7 WeakPolarHBondContact O-CD1 3.3Å; L3-I7 VanDerWaalsContact O-CG1 3.24Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; L3-L67 HydrophobicContact CD2-CD2 4.26Å
4S42.4Very low54.1Low85 Ų85108.7 Ų108.759%0.59456%0.563SS**THydrogen-bonded Turntrans-88.5-11.9-173.375.50000115.1R2R2-S4 PolarHBondContact O-N 3.15Å
5Q41Very low56Low170 Ų170102.3 Ų102.379%0.79453%0.532SS*.THydrogen-bonded Turntrans-94.8-18.5-177.6-77-177.9-2200113.6
6T44.2Very low57.8Low86 Ų86103.6 Ų103.653%0.52854%0.541SS..SBendtrans-99.1-1.6-177.1-27.30000113.9
7I50.9Low59.6Low45 Ų4599.4 Ų99.423%0.23152%0.517CS..  trans-89.9-2.7-171.2-68.8176.8000113.8L3 I9 F18 I19L3-I7 WeakPolarHBondContact O-CD1 3.3Å; L3-I7 VanDerWaalsContact O-CG1 3.24Å; L3-I7 WeakPolarHBondContact O-CG1 3.5Å; I7-I9 PolarHBondContact O-N 3.08Å; I7-F18 HydrophobicContact CG2-CD1 4.2Å; I7-F18 HydrophobicContact CG2-CE1 4.22Å; I7-I19 HydrophobicContact CG2-CD1 4.19Å; I7-I19 HydrophobicContact CG2-CG1 3.87Å
8F50.3Low61.3Low179 Ų17994 Ų9479%0.78549%0.489SS*.THydrogen-bonded Turntrans-79.642179.7-87.2-76.8000114.8
9I57.3Low62.8Low64 Ų6494.2 Ų94.233%0.32849%0.49SS..THydrogen-bonded Turntrans-89.6-34.7-175.5-63.5171.7000111.7I7 E86I7-I9 PolarHBondContact O-N 3.08Å; I9-E86 WeakPolarHBondContact CG2-OE1 3.36Å
10L61.8Low64.2Low18 Ų1893.8 Ų93.89%0.09448%0.482CS..SBendtrans-85.8125170.3-70.1168.7000109.4F14 A15 F18 E86 F89L10-F14 HydrophobicContact CB-CB 4.17Å; L10-F14 HydrophobicContact CD1-CB 4.43Å; L10-A15 WeakPolarHBondContact O-CB 3.24Å; L10-F18 HydrophobicContact CD1-CB 3.68Å; L10-F18 HydrophobicContact CD1-CD2 3.9Å; L10-F18 HydrophobicContact CD1-CG 3.79Å; L10-E86 HydrophobicContact CD2-CB 4.08Å; L10-E86 HydrophobicContact CD2-CG 4.11Å; L10-F89 HydrophobicContact CD1-CD1 4.01Å; L10-F89 HydrophobicContact CD1-CE1 4.21Å
11S62.8Low65.6Low103 Ų10389.4 Ų89.472%0.7246%0.459SS*.  trans-80.3141.3-179.759.90000112.1
12G70.8Confident68.1Low62 Ų6278.9 Ų78.964%0.63941%0.408SS*.THydrogen-bonded Turntrans66.8-133.6166.900000113.8F14 A15G12-F14 PolarHBondContact O-N 2.61Å; G12-F14 VanDerWaalsContact O-N 3.08Å; G12-A15 PolarHBondContact O-N 2.93Å; G12-A15 VanDerWaalsContact O-N 3.15Å
13K73.9Confident70.6Confident132 Ų13271.6 Ų71.657%0.57440%0.4SS*.Hα-helixtrans-49.3-38.4-172.8-175.7-174.6172.8-164.20113.2A15 H17K13-A15 VanDerWaalsContact C-N 3.35Å; K13-A15 PolarHBondContact O-N 3.43Å; K13-H17 PolarHBondContact O-CD2 3.06Å
14F82.4Confident73.1Confident50 Ų5071.4 Ų71.422%0.21939%0.394CS..Hα-helixtrans-75.8-18.1-172.5-59.3-71.7000114.5L10 G12 H17 F18 C90 M93L10-F14 HydrophobicContact CB-CB 4.17Å; L10-F14 HydrophobicContact CD1-CB 4.43Å; G12-F14 PolarHBondContact O-N 2.61Å; G12-F14 VanDerWaalsContact O-N 3.08Å; F14-H17 PolarHBondContact O-N 3.42Å; F14-F18 VanDerWaalsContact O-CB 3.3Å; F14-F18 WeakPolarHBondContact O-CB 3.45Å; F14-F18 PolarHBondContact O-N 2.88Å; F14-C90 HydrophobicContact CD1-CB 4.1Å; F14-C90 HydrophobicContact CD2-CB 4.5Å; F14-C90 HydrophobicContact CE1-CB 3.88Å; F14-C90 HydrophobicContact CE2-CB 4.29Å; F14-C90 HydrophobicContact CG-CB 4.41Å; F14-C90 HydrophobicContact CZ-CB 3.97Å; F14-M93 HydrophobicContact CD1-CB 4.05Å; F14-M93 HydrophobicContact CD1-CG 4.22Å; F14-M93 HydrophobicContact CE1-CB 3.91Å
15A83Confident75.6Confident12 Ų1271.9 Ų71.910%0.09939%0.393CS..Hα-helixtrans-62.1-46.2179.400000112L10 G12 K13 F18 I19L10-A15 WeakPolarHBondContact O-CB 3.24Å; G12-A15 PolarHBondContact O-N 2.93Å; G12-A15 VanDerWaalsContact O-N 3.15Å; K13-A15 VanDerWaalsContact C-N 3.35Å; K13-A15 PolarHBondContact O-N 3.43Å; A15-F18 PolarHBondContact O-N 2.96Å; A15-I19 WeakPolarHBondContact O-CG1 3.42Å; A15-I19 PolarHBondContact O-N 3.15Å
16D84.9Confident78.3Confident124 Ų12464 Ų6466%0.66336%0.356SS*.Hα-helixtrans-66.6-41.6179.8-67.9-22.1000111.2F18 R20D16-F18 PolarHBondContact O-N 2.79Å; D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 PolarHBondContact O-N 2.93Å
17H88.3Confident80.9Confident32 Ų3262.7 Ų62.715%0.14835%0.349CS..Hα-helixtrans-60.3-45.9173.9-70.2-78000110.9K13 F14 I19 R20 F21 F89 M93 E96K13-H17 PolarHBondContact O-CD2 3.06Å; F14-H17 PolarHBondContact O-N 3.42Å; H17-I19 PolarHBondContact O-N 3.16Å; H17-R20 PolarHBondContact ND1-NH2 3.07Å; H17-R20 VanDerWaalsContact ND1-NH2 3.12Å; H17-R20 PolarHBondContact O-N 2.97Å; H17-F21 HydrophobicContact CB-CD2 4.33Å; H17-F21 WeakPolarHBondContact O-CB 3.02Å; H17-F21 VanDerWaalsContact O-CD2 3.3Å; H17-F21 WeakPolarHBondContact O-CD2 3.2Å; H17-F21 PolarHBondContact O-N 3.32Å; H17-F89 HydrophobicContact CB-CE1 4.34Å; H17-F89 HydrophobicContact CB-CZ 4.26Å; H17-M93 HydrophobicContact CB-CG 4.31Å; H17-M93 HydrophobicContact CB-SD 3.68Å; H17-E96 IonicContact CE1-OE2 2.93Å; H17-E96 PolarHBondContact CE1-OE2 3.48Å; H17-E96 IonicContact ND1-OE2 3.87Å; H17-E96 PolarHBondContact ND1-OE2 3.47Å
18F90.5Very high83.1Confident2 Ų263.3 Ų63.31%0.00936%0.355CS..Hα-helixtrans-60.7-45.3-179.5178.4-108.7000113.1I7 L10 F14 A15 D16 R20 G22 A59 L62 Q63 F89I7-F18 HydrophobicContact CG2-CD1 4.2Å; I7-F18 HydrophobicContact CG2-CE1 4.22Å; L10-F18 HydrophobicContact CD1-CB 3.68Å; L10-F18 HydrophobicContact CD1-CD2 3.9Å; L10-F18 HydrophobicContact CD1-CG 3.79Å; F14-F18 VanDerWaalsContact O-CB 3.3Å; F14-F18 WeakPolarHBondContact O-CB 3.45Å; F14-F18 PolarHBondContact O-N 2.88Å; A15-F18 PolarHBondContact O-N 2.96Å; D16-F18 PolarHBondContact O-N 2.79Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.47Å; F18-G22 PolarHBondContact O-N 3.4Å; F18-A59 HydrophobicContact CD2-CB 4.11Å; F18-A59 HydrophobicContact CE2-CB 4.19Å; F18-L62 HydrophobicContact CE2-CB 3.56Å; F18-L62 HydrophobicContact CE2-CD1 4.04Å; F18-L62 HydrophobicContact CE2-CG 4.46Å; F18-L62 HydrophobicContact CZ-CB 3.95Å; F18-Q63 HydrophobicContact CE1-CG 3.87Å; F18-Q63 HydrophobicContact CE2-CG 4.19Å; F18-Q63 HydrophobicContact CZ-CB 4.46Å; F18-Q63 HydrophobicContact CZ-CG 3.43Å; F18-Q63 VanDerWaalsContact CZ-CG 3.43Å; F18-F89 HydrophobicContact CB-CE1 4Å; F18-F89 HydrophobicContact CB-CZ 4.18Å; F18-F89 HydrophobicContact CD2-CE1 4.42Å; F18-F89 HydrophobicContact CD2-CZ 4.42Å
19I88.6Confident85.3Confident97 Ų9756.1 Ų56.150%0.49733%0.325SS..Hα-helixtrans-62-45176.6-68.4169.3000110.3I7 A15 H17 G23I7-I19 HydrophobicContact CG2-CD1 4.19Å; I7-I19 HydrophobicContact CG2-CG1 3.87Å; A15-I19 WeakPolarHBondContact O-CG1 3.42Å; A15-I19 PolarHBondContact O-N 3.15Å; H17-I19 PolarHBondContact O-N 3.16Å; I19-G23 PolarHBondContact O-N 3.44Å
20R91.6Very high87.2Confident87 Ų8753.4 Ų53.433%0.32831%0.311SS..Hα-helixtrans-65.9-51.1-178.9-172.6-175.860.5175.8-6.7111.9D16 H17 F18 G22 G23 Y24 E96D16-R20 WeakPolarHBondContact O-CB 3.4Å; D16-R20 PolarHBondContact O-N 2.93Å; H17-R20 PolarHBondContact ND1-NH2 3.07Å; H17-R20 VanDerWaalsContact ND1-NH2 3.12Å; H17-R20 PolarHBondContact O-N 2.97Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.47Å; R20-G22 PolarHBondContact O-N 3.36Å; R20-G23 PolarHBondContact O-N 3.21Å; R20-G23 VanDerWaalsContact O-N 3.14Å; R20-Y24 WeakPolarHBondContact CD-OH 3.43Å; R20-Y24 HydrophobicContact CG-CE2 4.01Å; R20-Y24 WeakPolarHBondContact CG-OH 3.4Å; R20-E96 IonicContact CZ-OE1 2.98Å; R20-E96 IonicContact CZ-OE2 3.99Å; R20-E96 IonicContact NH1-OE1 3.28Å; R20-E96 PolarHBondContact NH1-OE1 3.4Å; R20-E96 IonicContact NH2-OE1 3.48Å; R20-E96 PolarHBondContact NH2-OE1 3.09Å; R20-E96 IonicContact NH2-OE2 3.73Å; R20-E96 PolarHBondContact NH2-OE2 3.46Å
21F93.3Very high88.9Confident2 Ų252.5 Ų52.51%0.00931%0.307CS..Hα-helixtrans-67.5-35-177.4-86.1-81.6000113.1H17 G23 Y24 Y52 P55 V56 A59 F89 M93 E96H17-F21 HydrophobicContact CB-CD2 4.33Å; H17-F21 WeakPolarHBondContact O-CB 3.02Å; H17-F21 VanDerWaalsContact O-CD2 3.3Å; H17-F21 WeakPolarHBondContact O-CD2 3.2Å; H17-F21 PolarHBondContact O-N 3.32Å; F21-G23 PolarHBondContact O-N 3.1Å; F21-Y24 HydrophobicContact CD1-CD2 4.08Å; F21-Y24 HydrophobicContact CD1-CE2 4.38Å; F21-Y24 PolarHBondContact O-N 3.19Å; F21-Y52 AromaticContact CE1-CD2 4Å; F21-Y52 HydrophobicContact CE1-CD2 4Å; F21-Y52 HydrophobicContact CE1-CE2 4.21Å; F21-P55 HydrophobicContact CD1-CB 3.72Å; F21-P55 HydrophobicContact CE1-CB 3.85Å; F21-P55 HydrophobicContact CE1-CG 4.49Å; F21-P55 HydrophobicContact CG-CB 4.09Å; F21-P55 HydrophobicContact CZ-CB 4.32Å; F21-V56 HydrophobicContact CD1-CG2 3.65Å; F21-V56 HydrophobicContact CE1-CG2 4.22Å; F21-A59 HydrophobicContact CB-CB 3.93Å; F21-F89 HydrophobicContact CB-CE2 4.04Å; F21-F89 HydrophobicContact CB-CZ 4.25Å; F21-F89 HydrophobicContact CD2-CZ 4.31Å; F21-F89 HydrophobicContact CG-CE2 4.39Å; F21-M93 HydrophobicContact CD2-CE 4.01Å; F21-M93 HydrophobicContact CD2-SD 3.62Å; F21-M93 HydrophobicContact CE1-CE 4.29Å; F21-M93 HydrophobicContact CE2-CE 3.43Å; F21-M93 VanDerWaalsContact CE2-CE 3.43Å; F21-M93 HydrophobicContact CE2-SD 3.35Å; F21-M93 WeakPolarHBondContact CE2-SD 3.29Å; F21-M93 HydrophobicContact CZ-CE 3.62Å; F21-M93 HydrophobicContact CZ-SD 4.18Å; F21-E96 HydrophobicContact CE2-CG 4.49Å; F21-E96 HydrophobicContact CZ-CG 4.2Å
22G90.7Very high90.5Very high2 Ų253.8 Ų53.82%0.02130%0.299CS..Hα-helixtrans-78.2-7.1174.800000114.1F18 R20 Y24 Q63F18-G22 PolarHBondContact O-N 3.4Å; R20-G22 PolarHBondContact O-N 3.36Å; G22-Y24 VanDerWaalsContact C-N 3.34Å; G22-Q63 VanDerWaalsContact CA-NE2 3.31Å
23G91Very high91.7Very high63 Ų6356.3 Ų56.365%0.64929%0.293SS*.THydrogen-bonded Turntrans-81.8-10.9165.900000113.9I19 R20 F21I19-G23 PolarHBondContact O-N 3.44Å; R20-G23 PolarHBondContact O-N 3.21Å; R20-G23 VanDerWaalsContact O-N 3.14Å; F21-G23 PolarHBondContact O-N 3.1Å
24Y95.2Very high92.7Very high85 Ų8550.7 Ų50.733%0.33327%0.269SS..SBendtrans-89.8148.6178.5-60.4-35.4000111.9R20 F21 G22 Y52 V56 N60R20-Y24 WeakPolarHBondContact CD-OH 3.43Å; R20-Y24 HydrophobicContact CG-CE2 4.01Å; R20-Y24 WeakPolarHBondContact CG-OH 3.4Å; F21-Y24 HydrophobicContact CD1-CD2 4.08Å; F21-Y24 HydrophobicContact CD1-CE2 4.38Å; F21-Y24 PolarHBondContact O-N 3.19Å; G22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-Y52 HydrophobicContact CD2-CE2 4.22Å; Y24-Y52 WeakPolarHBondContact CD2-OH 3.41Å; Y24-Y52 HydrophobicContact CE2-CE2 4.1Å; Y24-V56 HydrophobicContact CD2-CG2 3.99Å; Y24-V56 HydrophobicContact CG-CG2 4.43Å; Y24-N60 PolarHBondContact O-ND2 3.21Å
25T95.9Very high93.3Very high94 Ų9449 Ų4958%0.57726%0.262SS*.PPolyproline II helixtrans-86.9129.5175.5-56.50000109.6V381T25-V381 HydrophobicContact CG2-CG1 4.02Å; T25-V381 HydrophobicContact CG2-CG2 3.91Å
26P97.4Very high93.8Very high5 Ų551 Ų513%0.03228%0.278CS..PPolyproline II helixtrans-54.6139.7170.8-2634.2000112.4P28 E53 V56 R57 M157 L379P26-P28 VanDerWaalsContact O-CD 3.3Å; P26-P28 WeakPolarHBondContact O-CD 3.28Å; P26-E53 WeakPolarHBondContact CA-OE1 3.29Å; P26-V56 HydrophobicContact CG-CG1 4.16Å; P26-R57 HydrophobicContact CB-CG 4.12Å; P26-R57 HydrophobicContact CG-CG 4.47Å; P26-M157 HydrophobicContact CG-CE 3.88Å; P26-L379 HydrophobicContact CB-CB 4.29Å; P26-L379 HydrophobicContact CB-CD1 3.67Å
27T97.6Very high94.3Very high59 Ų5948.6 Ų48.636%0.36226%0.262SS..  trans-89.8111.3179.4-48.60000109.8E53 R57T27-E53 VanDerWaalsContact CB-OE2 3.29Å; T27-E53 WeakPolarHBondContact CB-OE2 3.49Å; T27-E53 PolarHBondContact N-OE1 2.88Å; T27-E53 PolarHBondContact N-OE2 3.18Å; T27-E53 PolarHBondContact OG1-OE2 3.19Å; T27-R57 PolarHBondContact O-NH2 2.95Å
28P97.4Very high94.3Very high58 Ų5847.7 Ų47.738%0.37726%0.261SS..  trans-74.9138176.730.9-34.7000111.5P26 E377 L379P26-P28 VanDerWaalsContact O-CD 3.3Å; P26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-E377 HydrophobicContact CB-CB 3.97Å; P28-E377 VanDerWaalsContact CB-O 3.25Å; P28-E377 WeakPolarHBondContact CB-O 3.36Å; P28-L379 HydrophobicContact CB-CD1 4.3Å
29L97.2Very high94.2Very high28 Ų2854.4 Ų54.415%0.14729%0.29CS..  trans-112.9140.6174.4-58.6178.1000110.7K33 L34 F49 L164 E377L29-K33 HydrophobicContact CD2-CD 4.38Å; L29-L34 HydrophobicContact CB-CD2 4.24Å; L29-L34 HydrophobicContact CB-CG 4.11Å; L29-L34 HydrophobicContact CD1-CD2 3.66Å; L29-L34 HydrophobicContact CD1-CG 4.43Å; L29-F49 HydrophobicContact CD1-CE1 3.85Å; L29-F49 HydrophobicContact CD1-CZ 3.89Å; L29-F49 HydrophobicContact CD2-CZ 4.3Å; L29-F49 HydrophobicContact CG-CZ 4.32Å; L29-L164 HydrophobicContact CD1-CD2 3.96Å; L29-E377 PolarHBondContact N-OE2 2.85Å; L29-E377 VanDerWaalsContact O-CG 3.3Å; L29-E377 WeakPolarHBondContact O-CG 3.39Å; L29-E377 PolarHBondContact O-N 3.17Å
30S97.2Very high94.3Very high6 Ų656 Ų564%0.04231%0.305CS..BIsolated β-bridgetrans-84158.1167.851.40000112.4K32 K33 L34 A375 D376S30-K32 PolarHBondContact O-N 3.46Å; S30-K33 WeakPolarHBondContact O-CB 3.31Å; S30-K33 PolarHBondContact O-N 2.91Å; S30-K33 WeakPolarHBondContact OG-CG 3.24Å; S30-K33 PolarHBondContact OG-N 3.03Å; S30-L34 PolarHBondContact O-N 3.37Å; S30-A375 CarbonylContact C-O 3.58Å; S30-A375 WeakPolarHBondContact CA-O 3.47Å; S30-D376 VanDerWaalsContact CB-OD1 3.23Å; S30-D376 WeakPolarHBondContact CB-OD1 3.34Å
31L97Very high94.1Very high0 Ų052.9 Ų52.90%030%0.299CS..Hα-helixtrans-52.9-38.2168.8-71.5178.9000111.9K33 L34 I35 I186 V232 Y233 V234 F348 A372 A375L31-K33 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-I35 PolarHBondContact O-N 3.5Å; L31-I186 HydrophobicContact CD2-CD1 3.98Å; L31-I186 HydrophobicContact CD2-CG1 4.08Å; L31-V232 HydrophobicContact CB-CG1 3.96Å; L31-V232 HydrophobicContact CD1-CG1 4.27Å; L31-V232 WeakPolarHBondContact CD1-O 3.3Å; L31-Y233 HydrophobicContact CD1-CD2 3.9Å; L31-Y233 HydrophobicContact CD1-CE2 4.41Å; L31-V234 HydrophobicContact CD2-CG2 4.2Å; L31-F348 HydrophobicContact CD1-CD2 4.29Å; L31-F348 HydrophobicContact CD1-CG 4.31Å; L31-F348 HydrophobicContact CD2-CD1 4.33Å; L31-F348 HydrophobicContact CD2-CD2 4.18Å; L31-F348 HydrophobicContact CD2-CE1 3.83Å; L31-F348 HydrophobicContact CD2-CE2 3.66Å; L31-F348 HydrophobicContact CD2-CG 4.5Å; L31-F348 HydrophobicContact CD2-CZ 3.47Å; L31-F348 VanDerWaalsContact CD2-CZ 3.47Å; L31-F348 HydrophobicContact CG-CD1 4.01Å; L31-F348 HydrophobicContact CG-CD2 4.31Å; L31-F348 HydrophobicContact CG-CE1 3.95Å; L31-F348 HydrophobicContact CG-CE2 4.25Å; L31-F348 HydrophobicContact CG-CG 4.2Å; L31-F348 HydrophobicContact CG-CZ 4.08Å; L31-A372 HydrophobicContact CB-CB 4.15Å; L31-A375 HydrophobicContact CB-CB 4.2Å; L31-A375 HydrophobicContact CD1-CB 3.73Å; L31-A375 HydrophobicContact CG-CB 3.98Å; L31-A375 PolarHBondContact N-O 3.33Å
32K96.7Very high94.1Very high129 Ų12954.8 Ų54.856%0.56131%0.313SS*.Hα-helixtrans-59.6-45.6173.8178.9174.9177.1179.40112.3S30 A36 A372 A373S30-K32 PolarHBondContact O-N 3.46Å; K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.12Å; K32-A372 HydrophobicContact CB-CB 4.09Å; K32-A372 WeakPolarHBondContact CB-O 3.35Å; K32-A372 PolarHBondContact N-O 3.15Å; K32-A373 HydrophobicContact CB-CB 4.44Å; K32-A373 HydrophobicContact CD-CB 3.68Å
33K96.1Very high94.3Very high115 Ų11556.1 Ų56.150%0.532%0.32SS..Hα-helixtrans-65.3-42.9178.2-75.2175.1-178.3166.80111.3L29 S30 L31 A36 F37L29-K33 HydrophobicContact CD2-CD 4.38Å; S30-K33 WeakPolarHBondContact O-CB 3.31Å; S30-K33 PolarHBondContact O-N 2.91Å; S30-K33 WeakPolarHBondContact OG-CG 3.24Å; S30-K33 PolarHBondContact OG-N 3.03Å; L31-K33 PolarHBondContact O-N 3.43Å; K33-A36 PolarHBondContact O-N 2.79Å; K33-F37 VanDerWaalsContact O-CB 3.32Å; K33-F37 WeakPolarHBondContact O-CB 3.4Å; K33-F37 PolarHBondContact O-N 2.68Å
34L95.8Very high94.4Very high14 Ų1457 Ų577%0.07331%0.308CS..Hα-helixtrans-62.3-47.6178.7-70.2168.7000111.7L29 S30 L31 F37 G38 M163 I186 F348L29-L34 HydrophobicContact CB-CD2 4.24Å; L29-L34 HydrophobicContact CB-CG 4.11Å; L29-L34 HydrophobicContact CD1-CD2 3.66Å; L29-L34 HydrophobicContact CD1-CG 4.43Å; S30-L34 PolarHBondContact O-N 3.37Å; L31-L34 PolarHBondContact O-N 3.29Å; L34-F37 PolarHBondContact O-N 2.74Å; L34-G38 PolarHBondContact O-N 3.47Å; L34-M163 HydrophobicContact CD1-CE 3.81Å; L34-I186 HydrophobicContact CB-CD1 3.54Å; L34-I186 HydrophobicContact CD1-CD1 4.13Å; L34-I186 HydrophobicContact CG-CD1 4.47Å; L34-F348 HydrophobicContact CD1-CZ 4.49Å
35I94.2Very high94.4Very high15 Ų1559.9 Ų59.98%0.07732%0.322CS..Hα-helixtrans-62.3-48.6175.1-72.5-171000111.4L31 F37 G38 K39 I186 P188 V232L31-I35 PolarHBondContact O-N 3.5Å; I35-F37 PolarHBondContact O-N 2.8Å; I35-G38 PolarHBondContact O-N 2.99Å; I35-K39 HydrophobicContact CG2-CD 4.12Å; I35-K39 HydrophobicContact CG2-CG 4.5Å; I35-K39 WeakPolarHBondContact O-CG 3.3Å; I35-K39 PolarHBondContact O-N 3.5Å; I35-K39 VanDerWaalsContact O-N 3.09Å; I35-I186 HydrophobicContact CD1-CG2 3.63Å; I35-I186 HydrophobicContact CG1-CB 4.29Å; I35-I186 HydrophobicContact CG1-CD1 4.23Å; I35-I186 HydrophobicContact CG1-CG2 3.7Å; I35-P188 HydrophobicContact CD1-CB 4.39Å; I35-P188 HydrophobicContact CD1-CG 4.33Å; I35-V232 HydrophobicContact CD1-CB 4.26Å; I35-V232 HydrophobicContact CD1-CG1 3.33Å; I35-V232 HydrophobicContact CD1-CG2 3.94Å; I35-V232 HydrophobicContact CG1-CG1 4.31Å
36A94.4Very high94.4Very high53 Ų5356 Ų5644%0.43830%0.298SS..Hα-helixtrans-58.2-43.1-178.500000110.4K32 K33 K39 V40K32-A36 WeakPolarHBondContact O-CB 3.35Å; K32-A36 PolarHBondContact O-N 3.12Å; K33-A36 PolarHBondContact O-N 2.79Å; A36-K39 PolarHBondContact O-N 2.83Å; A36-V40 WeakPolarHBondContact O-CG2 3.48Å
37F93.7Very high94.3Very high75 Ų7555.7 Ų55.733%0.32930%0.297SS..Hα-helixtrans-65.7-44.9175.4-175.1-92.7000112.3K33 L34 I35 K39 V40 G41 K45 F172K33-F37 VanDerWaalsContact O-CB 3.32Å; K33-F37 WeakPolarHBondContact O-CB 3.4Å; K33-F37 PolarHBondContact O-N 2.68Å; L34-F37 PolarHBondContact O-N 2.74Å; I35-F37 PolarHBondContact O-N 2.8Å; F37-K39 PolarHBondContact O-N 3.25Å; F37-V40 PolarHBondContact O-N 3.24Å; F37-G41 WeakPolarHBondContact O-CA 3.33Å; F37-G41 PolarHBondContact O-N 3.25Å; F37-K45 HydrophobicContact CE2-CB 3.95Å; F37-K45 HydrophobicContact CZ-CB 4.05Å; F37-F172 HydrophobicContact CE1-CE2 4.14Å; F37-F172 HydrophobicContact CE1-CZ 4.36Å
38G89.7Confident94.2Very high12 Ų1255.4 Ų55.412%0.12430%0.297CS..Hα-helixtrans-63.5-22.8179.700000114.2L34 I35 M171L34-G38 PolarHBondContact O-N 3.47Å; I35-G38 PolarHBondContact O-N 2.99Å; G38-M171 WeakPolarHBondContact O-CE 3.46Å
39K87.8Confident94.2Very high143 Ų14355.8 Ų55.862%0.62229%0.293SS*.Hα-helixtrans-81.1-32.1177.6-72-178.5177.7-177.30114.7I35 A36 F37 V183I35-K39 HydrophobicContact CG2-CD 4.12Å; I35-K39 HydrophobicContact CG2-CG 4.5Å; I35-K39 WeakPolarHBondContact O-CG 3.3Å; I35-K39 PolarHBondContact O-N 3.5Å; I35-K39 VanDerWaalsContact O-N 3.09Å; A36-K39 PolarHBondContact O-N 2.83Å; F37-K39 PolarHBondContact O-N 3.25Å; K39-V183 HydrophobicContact CG-CG2 4.28Å
40V90.4Very high94.2Very high132 Ų13254.6 Ų54.680%0.829%0.287SS*.Hα-helixtrans-134.4-3.3-171.8-58.70000114.6A36 F37A36-V40 WeakPolarHBondContact O-CG2 3.48Å; F37-V40 PolarHBondContact O-N 3.24Å
41G88.6Confident94.1Very high20 Ų2054.6 Ų54.621%0.20629%0.287CS..  trans-73.7154.9-178.100000112.2F37F37-G41 WeakPolarHBondContact O-CA 3.33Å; F37-G41 PolarHBondContact O-N 3.25Å
42S92.6Very high94.1Very high42 Ų4259.5 Ų59.529%0.29431%0.306SS..  trans-102154.217469.50000111.3Q44 K45 S46S42-Q44 VanDerWaalsContact C-N 3.25Å; S42-Q44 PolarHBondContact O-N 2.84Å; S42-K45 PolarHBondContact O-N 2.75Å; S42-K45 WeakPolarHBondContact OG-CG 3.38Å; S42-K45 PolarHBondContact OG-N 2.97Å; S42-S46 PolarHBondContact O-N 3.32Å
43V93.9Very high94.2Very high31 Ų3153.3 Ų53.319%0.18828%0.28CS..Hα-helixtrans-56.5-40.3175.663.30000111.5K45 S46 A47 L105 F172V43-K45 PolarHBondContact O-N 3.14Å; V43-S46 PolarHBondContact O-N 3.49Å; V43-A47 WeakPolarHBondContact O-CB 3.47Å; V43-A47 PolarHBondContact O-N 2.97Å; V43-L105 HydrophobicContact CG1-CD1 3.74Å; V43-L105 HydrophobicContact CG2-CD1 4.38Å; V43-L105 HydrophobicContact CG2-CD2 3.94Å; V43-F172 HydrophobicContact CB-CB 4.08Å; V43-F172 HydrophobicContact CB-CD1 3.79Å; V43-F172 HydrophobicContact CB-CE1 4.36Å; V43-F172 HydrophobicContact CB-CG 3.88Å; V43-F172 HydrophobicContact CG2-CB 3.61Å; V43-F172 HydrophobicContact CG2-CD1 4.29Å; V43-F172 HydrophobicContact CG2-CD2 4.5Å; V43-F172 HydrophobicContact CG2-CG 3.9Å
44Q94Very high94.2Very high82 Ų8248 Ų4838%0.38326%0.256SS..Hα-helixtrans-62.6-41.8178.7-63.880.22.400112.1S42 S46 S48 W100 L105S42-Q44 VanDerWaalsContact C-N 3.25Å; S42-Q44 PolarHBondContact O-N 2.84Å; Q44-S46 VanDerWaalsContact C-N 3.35Å; Q44-S48 VanDerWaalsContact O-CB 3.28Å; Q44-S48 WeakPolarHBondContact O-CB 3.4Å; Q44-S48 PolarHBondContact O-N 2.8Å; Q44-S48 PolarHBondContact O-OG 3.44Å; Q44-W100 HydrophobicContact CB-CB 4.48Å; Q44-W100 HydrophobicContact CG-CB 4.17Å; Q44-L105 HydrophobicContact CG-CD1 4.17Å
45K94.8Very high94.3Very high144 Ų14447.3 Ų47.363%0.62625%0.253SS*.Hα-helixtrans-67.2-39.5177.4-74.8179.5-179.7178.20111.1F37 S42 V43 F49F37-K45 HydrophobicContact CE2-CB 3.95Å; F37-K45 HydrophobicContact CZ-CB 4.05Å; S42-K45 PolarHBondContact O-N 2.75Å; S42-K45 WeakPolarHBondContact OG-CG 3.38Å; S42-K45 PolarHBondContact OG-N 2.97Å; V43-K45 PolarHBondContact O-N 3.14Å; K45-F49 WeakPolarHBondContact O-CB 3.46Å; K45-F49 PolarHBondContact O-N 2.72Å
46S95.7Very high94.5Very high12 Ų1246.6 Ų46.68%0.08425%0.249CC..Hα-helixtrans-65.2-49.2177.4-164.70000110.9S42 V43 Q44 S48 F49 L50 H168S42-S46 PolarHBondContact O-N 3.32Å; V43-S46 PolarHBondContact O-N 3.49Å; Q44-S46 VanDerWaalsContact C-N 3.35Å; S46-S48 PolarHBondContact O-N 2.88Å; S46-F49 PolarHBondContact O-N 2.92Å; S46-L50 VanDerWaalsContact O-CG 3.29Å; S46-L50 WeakPolarHBondContact O-CG 3.35Å; S46-L50 PolarHBondContact O-N 3.26Å; S46-H168 WeakPolarHBondContact CB-ND1 3.37Å; S46-H168 PolarHBondContact OG-ND1 2.62Å
47A96.1Very high94.6Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-61.8-44.1178.800000111.7V43 F49 L50 A51 W100 L105 F108V43-A47 WeakPolarHBondContact O-CB 3.47Å; V43-A47 PolarHBondContact O-N 2.97Å; A47-F49 VanDerWaalsContact C-N 3.34Å; A47-F49 PolarHBondContact O-N 3.18Å; A47-L50 PolarHBondContact O-N 3.41Å; A47-A51 VanDerWaalsContact O-CB 3.27Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.09Å; A47-W100 VanDerWaalsContact C-CZ2 3.41Å; A47-W100 HydrophobicContact CB-CD2 4.17Å; A47-W100 HydrophobicContact CB-CE3 3.92Å; A47-W100 HydrophobicContact CB-CH2 3.56Å; A47-W100 HydrophobicContact CB-CZ2 3.84Å; A47-W100 HydrophobicContact CB-CZ3 3.6Å; A47-W100 WeakPolarHBondContact O-CZ2 3.41Å; A47-L105 HydrophobicContact CB-CD2 3.63Å; A47-F108 HydrophobicContact CB-CD1 3.86Å; A47-F108 HydrophobicContact CB-CE1 3.94Å
48S95.7Very high94.8Very high53 Ų5340.6 Ų40.637%0.37121%0.213SC..Hα-helixtrans-57.6-45174.5-61.30000112.4Q44 S46 W100Q44-S48 VanDerWaalsContact O-CB 3.28Å; Q44-S48 WeakPolarHBondContact O-CB 3.4Å; Q44-S48 PolarHBondContact O-N 2.8Å; Q44-S48 PolarHBondContact O-OG 3.44Å; S46-S48 PolarHBondContact O-N 2.88Å; S48-W100 VanDerWaalsContact OG-CD1 3.29Å; S48-W100 PolarHBondContact OG-NE1 3.42Å
49F96.4Very high95.1Very high65 Ų6540 Ų4029%0.28521%0.207SC..Hα-helixtrans-64.4-46.4177.7174.4-100.9000111.4L29 K45 S46 A47 Y52 E53 L164L29-F49 HydrophobicContact CD1-CE1 3.85Å; L29-F49 HydrophobicContact CD1-CZ 3.89Å; L29-F49 HydrophobicContact CD2-CZ 4.3Å; L29-F49 HydrophobicContact CG-CZ 4.32Å; K45-F49 WeakPolarHBondContact O-CB 3.46Å; K45-F49 PolarHBondContact O-N 2.72Å; S46-F49 PolarHBondContact O-N 2.92Å; A47-F49 VanDerWaalsContact C-N 3.34Å; A47-F49 PolarHBondContact O-N 3.18Å; F49-Y52 PolarHBondContact O-N 2.87Å; F49-E53 HydrophobicContact CD1-CB 4.35Å; F49-E53 HydrophobicContact CE1-CB 3.93Å; F49-E53 HydrophobicContact CE1-CG 3.93Å; F49-E53 HydrophobicContact CE2-CB 4.17Å; F49-E53 HydrophobicContact CE2-CG 4.35Å; F49-E53 HydrophobicContact CZ-CB 3.84Å; F49-E53 HydrophobicContact CZ-CG 3.67Å; F49-E53 VanDerWaalsContact O-CB 3.29Å; F49-E53 WeakPolarHBondContact O-CB 3.46Å; F49-E53 PolarHBondContact O-N 2.92Å; F49-L164 HydrophobicContact CE1-CD1 4.36Å; F49-L164 HydrophobicContact CE1-CD2 4.26Å
50L97.3Very high95.5Very high4 Ų433.2 Ų33.22%0.02118%0.178CC..Hα-helixtrans-71.4-36.2-176.3-66.9177.8000113.6S46 A47 Y52 E53 L54 F108 L112 L164 H168S46-L50 VanDerWaalsContact O-CG 3.29Å; S46-L50 WeakPolarHBondContact O-CG 3.35Å; S46-L50 PolarHBondContact O-N 3.26Å; A47-L50 PolarHBondContact O-N 3.41Å; L50-Y52 PolarHBondContact O-N 3.38Å; L50-E53 PolarHBondContact O-N 3.15Å; L50-L54 HydrophobicContact CB-CD1 3.96Å; L50-L54 HydrophobicContact CB-CG 4.23Å; L50-L54 HydrophobicContact CD2-CD1 4.38Å; L50-L54 HydrophobicContact CD2-CD2 4.45Å; L50-L54 HydrophobicContact CD2-CG 4.15Å; L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.45Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.48Å; L50-F108 HydrophobicContact CB-CE1 4.08Å; L50-F108 HydrophobicContact CB-CZ 3.87Å; L50-L112 HydrophobicContact CD1-CD1 4.09Å; L50-L164 HydrophobicContact CD2-CB 3.73Å; L50-L164 HydrophobicContact CD2-CD1 3.77Å; L50-L164 HydrophobicContact CD2-CD2 4.25Å; L50-L164 HydrophobicContact CD2-CG 4.14Å; L50-H168 HydrophobicContact CD1-CB 3.46Å; L50-H168 VanDerWaalsContact CD1-CB 3.46Å; L50-H168 WeakPolarHBondContact CD1-ND1 3.13Å
51A96.4Very high95.8Very high6 Ų627 Ų275%0.0514%0.14CC..Hα-helixtrans-61.1-23.9174.400000112.2A47 P55 F95 W100 F108A47-A51 VanDerWaalsContact O-CB 3.27Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.09Å; A51-P55 WeakPolarHBondContact O-CD 3.2Å; A51-P55 WeakPolarHBondContact O-CG 3.2Å; A51-F95 HydrophobicContact CB-CB 4.15Å; A51-W100 HydrophobicContact CB-CH2 4.05Å; A51-W100 HydrophobicContact CB-CZ2 3.78Å; A51-F108 HydrophobicContact CB-CE2 4.1Å; A51-F108 HydrophobicContact CB-CZ 4.21Å
52Y96.2Very high96Very high102 Ų10226 Ų2640%0.413%0.13SC..Hα-helixtrans-92.5-50.8172.2-179.6-96.3000112.6F21 Y24 F49 L50 P55 V56F21-Y52 AromaticContact CE1-CD2 4Å; F21-Y52 HydrophobicContact CE1-CD2 4Å; F21-Y52 HydrophobicContact CE1-CE2 4.21Å; Y24-Y52 HydrophobicContact CD2-CE2 4.22Å; Y24-Y52 WeakPolarHBondContact CD2-OH 3.41Å; Y24-Y52 HydrophobicContact CE2-CE2 4.1Å; F49-Y52 PolarHBondContact O-N 2.87Å; L50-Y52 PolarHBondContact O-N 3.38Å; Y52-P55 WeakPolarHBondContact O-CD 3.31Å; Y52-V56 HydrophobicContact CD1-CG2 4.47Å; Y52-V56 HydrophobicContact CE1-CG2 4.11Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.2Å
53E97.8Very high96Very high0 Ų025.1 Ų25.10%012%0.121CC..Hα-helixtrans-74.4-38.3-169.5-178.264.8-157.600113.4P26 T27 F49 L50 V56 R57 L164P26-E53 WeakPolarHBondContact CA-OE1 3.29Å; T27-E53 VanDerWaalsContact CB-OE2 3.29Å; T27-E53 WeakPolarHBondContact CB-OE2 3.49Å; T27-E53 PolarHBondContact N-OE1 2.88Å; T27-E53 PolarHBondContact N-OE2 3.18Å; T27-E53 PolarHBondContact OG1-OE2 3.19Å; F49-E53 HydrophobicContact CD1-CB 4.35Å; F49-E53 HydrophobicContact CE1-CB 3.93Å; F49-E53 HydrophobicContact CE1-CG 3.93Å; F49-E53 HydrophobicContact CE2-CB 4.17Å; F49-E53 HydrophobicContact CE2-CG 4.35Å; F49-E53 HydrophobicContact CZ-CB 3.84Å; F49-E53 HydrophobicContact CZ-CG 3.67Å; F49-E53 VanDerWaalsContact O-CB 3.29Å; F49-E53 WeakPolarHBondContact O-CB 3.46Å; F49-E53 PolarHBondContact O-N 2.92Å; L50-E53 PolarHBondContact O-N 3.15Å; E53-V56 WeakPolarHBondContact O-CB 3.33Å; E53-V56 PolarHBondContact O-N 3.25Å; E53-R57 HydrophobicContact CG-CG 4.46Å; E53-R57 WeakPolarHBondContact O-CG 3.42Å; E53-R57 PolarHBondContact O-N 3.32Å; E53-R57 IonicContact OE1-CZ 2.8Å; E53-R57 IonicContact OE1-NE 2.67Å; E53-R57 PolarHBondContact OE1-NE 3.38Å; E53-R57 IonicContact OE1-NH2 3.68Å; E53-R57 PolarHBondContact OE1-NH2 3Å; E53-L164 HydrophobicContact CG-CD1 3.97Å
54L98Very high96Very high2 Ų223.7 Ų23.71%0.0111%0.113CC..Hα-helixtrans-63.1-45.4-179.8-66.1172.6000111.8L50 V56 R57 L58 L92 L112 I161 L164 L165L50-L54 HydrophobicContact CB-CD1 3.96Å; L50-L54 HydrophobicContact CB-CG 4.23Å; L50-L54 HydrophobicContact CD2-CD1 4.38Å; L50-L54 HydrophobicContact CD2-CD2 4.45Å; L50-L54 HydrophobicContact CD2-CG 4.15Å; L50-L54 VanDerWaalsContact O-CB 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.45Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.48Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 PolarHBondContact O-N 3.29Å; L54-R57 PolarHBondContact O-N 2.99Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 3.23Å; L54-L92 HydrophobicContact CB-CD1 3.69Å; L54-L92 HydrophobicContact CD1-CD1 4.44Å; L54-L92 HydrophobicContact CD1-CD2 4.21Å; L54-L112 HydrophobicContact CD1-CD2 3.66Å; L54-I161 HydrophobicContact CD2-CG2 4.22Å; L54-L164 HydrophobicContact CD2-CB 4.11Å; L54-L164 HydrophobicContact CD2-CD1 3.99Å; L54-L165 HydrophobicContact CD1-CD2 3.69Å; L54-L165 HydrophobicContact CD2-CD2 4.38Å; L54-L165 HydrophobicContact CD2-CG 4.46Å
55P97.2Very high95.9Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-59.4-37.6171.2-28.437.5000114.5F21 A51 Y52 A59 F89 L92 M93F21-P55 HydrophobicContact CD1-CB 3.72Å; F21-P55 HydrophobicContact CE1-CB 3.85Å; F21-P55 HydrophobicContact CE1-CG 4.49Å; F21-P55 HydrophobicContact CG-CB 4.09Å; F21-P55 HydrophobicContact CZ-CB 4.32Å; A51-P55 WeakPolarHBondContact O-CD 3.2Å; A51-P55 WeakPolarHBondContact O-CG 3.2Å; Y52-P55 WeakPolarHBondContact O-CD 3.31Å; P55-A59 WeakPolarHBondContact O-CB 3.37Å; P55-A59 PolarHBondContact O-N 3.33Å; P55-F89 HydrophobicContact CB-CD2 4.12Å; P55-F89 HydrophobicContact CB-CE2 3.82Å; P55-L92 HydrophobicContact CG-CB 3.78Å; P55-L92 HydrophobicContact CG-CD1 4.28Å; P55-M93 HydrophobicContact CB-CE 3.29Å; P55-M93 HydrophobicContact CB-SD 4.44Å; P55-M93 HydrophobicContact CG-CE 3.2Å
56V97.6Very high95.5Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-59.3-51.2174.4174.20000110.2F21 Y24 P26 Y52 E53 L54 A59 N60F21-V56 HydrophobicContact CD1-CG2 3.65Å; F21-V56 HydrophobicContact CE1-CG2 4.22Å; Y24-V56 HydrophobicContact CD2-CG2 3.99Å; Y24-V56 HydrophobicContact CG-CG2 4.43Å; P26-V56 HydrophobicContact CG-CG1 4.16Å; Y52-V56 HydrophobicContact CD1-CG2 4.47Å; Y52-V56 HydrophobicContact CE1-CG2 4.11Å; Y52-V56 WeakPolarHBondContact O-CG2 3.39Å; Y52-V56 PolarHBondContact O-N 3.2Å; E53-V56 WeakPolarHBondContact O-CB 3.33Å; E53-V56 PolarHBondContact O-N 3.25Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 PolarHBondContact O-N 3.29Å; V56-A59 PolarHBondContact O-N 3.39Å; V56-N60 WeakPolarHBondContact O-CB 3.28Å; V56-N60 PolarHBondContact O-N 3.16Å; V56-N60 PolarHBondContact O-ND2 3.1Å
57R98Very high95.2Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-60.7-46-179.7-71.3-175.1-171.9-166.8-1.9111.9P26 T27 E53 L54 I61 M157 S160 I161 L164 E377P26-R57 HydrophobicContact CB-CG 4.12Å; P26-R57 HydrophobicContact CG-CG 4.47Å; T27-R57 PolarHBondContact O-NH2 2.95Å; E53-R57 HydrophobicContact CG-CG 4.46Å; E53-R57 WeakPolarHBondContact O-CG 3.42Å; E53-R57 PolarHBondContact O-N 3.32Å; E53-R57 IonicContact OE1-CZ 2.8Å; E53-R57 IonicContact OE1-NE 2.67Å; E53-R57 PolarHBondContact OE1-NE 3.38Å; E53-R57 IonicContact OE1-NH2 3.68Å; E53-R57 PolarHBondContact OE1-NH2 3Å; L54-R57 PolarHBondContact O-N 2.99Å; R57-I61 PolarHBondContact O-N 2.9Å; R57-M157 HydrophobicContact CB-CE 4.3Å; R57-M157 HydrophobicContact CB-CG 4.34Å; R57-M157 HydrophobicContact CB-SD 3.55Å; R57-M157 VanDerWaalsContact CB-SD 3.55Å; R57-M157 HydrophobicContact CG-CE 4.4Å; R57-M157 HydrophobicContact CG-SD 3.71Å; R57-S160 VanDerWaalsContact CZ-OG 3.3Å; R57-S160 PolarHBondContact NH1-O 2.78Å; R57-S160 PolarHBondContact NH1-OG 2.81Å; R57-I161 HydrophobicContact CB-CD1 4.14Å; R57-I161 HydrophobicContact CB-CG1 3.92Å; R57-L164 VanDerWaalsContact NH1-CG 3.29Å; R57-E377 IonicContact CZ-OE1 2.72Å; R57-E377 IonicContact CZ-OE2 2.88Å; R57-E377 IonicContact NH1-OE1 3.24Å; R57-E377 PolarHBondContact NH1-OE1 3.28Å; R57-E377 IonicContact NH1-OE2 2.87Å; R57-E377 IonicContact NH2-OE1 3.99Å; R57-E377 PolarHBondContact NH2-OE1 3.47Å; R57-E377 IonicContact NH2-OE2 3.86Å; R57-E377 PolarHBondContact NH2-OE2 3.47Å
58L97.2Very high94.8Very high2 Ų216.9 Ų16.91%0.018%0.083CC..Hα-helixtrans-64-45176.7-73.1170.2000112.4L54 I61 L62 Y85 F89 L92 I161L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 3.23Å; L58-I61 WeakPolarHBondContact O-CG2 3.39Å; L58-I61 PolarHBondContact O-N 3.46Å; L58-L62 VanDerWaalsContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.96Å; L58-Y85 HydrophobicContact CD2-CD1 3.49Å; L58-Y85 VanDerWaalsContact CD2-CD1 3.49Å; L58-Y85 HydrophobicContact CD2-CE1 3.88Å; L58-Y85 HydrophobicContact CD2-CG 4.25Å; L58-F89 HydrophobicContact CB-CD2 4.25Å; L58-F89 HydrophobicContact CD1-CB 4.45Å; L58-L92 HydrophobicContact CD1-CD1 3.53Å; L58-I161 HydrophobicContact CD2-CD1 3.73Å; L58-I161 HydrophobicContact CG-CD1 4.08Å
59A96.2Very high94.2Very high0 Ų015.4 Ų15.40%07%0.072CC..Hα-helixtrans-64.4-42.7-18000000111.8F18 F21 P55 V56 I61 L62 Q63 F89F18-A59 HydrophobicContact CD2-CB 4.11Å; F18-A59 HydrophobicContact CE2-CB 4.19Å; F21-A59 HydrophobicContact CB-CB 3.93Å; P55-A59 WeakPolarHBondContact O-CB 3.37Å; P55-A59 PolarHBondContact O-N 3.33Å; V56-A59 PolarHBondContact O-N 3.39Å; A59-I61 VanDerWaalsContact C-N 3.34Å; A59-I61 PolarHBondContact O-N 3.18Å; A59-L62 PolarHBondContact O-N 3.43Å; A59-Q63 VanDerWaalsContact O-CG 3.31Å; A59-Q63 WeakPolarHBondContact O-CG 3.46Å; A59-Q63 PolarHBondContact O-N 2.94Å; A59-F89 HydrophobicContact CB-CD2 4.33Å; A59-F89 HydrophobicContact CB-CE2 3.85Å
60N95.9Very high93.8Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-56.1-48.3176.8-89.8-107.1000111.3Y24 V56 Q63 E64 M157 F382Y24-N60 PolarHBondContact O-ND2 3.21Å; V56-N60 WeakPolarHBondContact O-CB 3.28Å; V56-N60 PolarHBondContact O-N 3.16Å; V56-N60 PolarHBondContact O-ND2 3.1Å; N60-Q63 PolarHBondContact O-N 3.17Å; N60-E64 PolarHBondContact O-N 2.98Å; N60-M157 HydrophobicContact CB-CE 4.17Å; N60-F382 HydrophobicContact CB-CB 4.17Å; N60-F382 WeakPolarHBondContact OD1-CB 3.2Å; N60-F382 PolarHBondContact OD1-N 3.08Å
61I95.7Very high93.3Very high1 Ų122.7 Ų22.71%0.00510%0.103CC..Hα-helixtrans-77.1-33.9-177.8-166.862000113.4R57 L58 A59 Q63 E64 I65 Y85 F150 F154 M157R57-I61 PolarHBondContact O-N 2.9Å; L58-I61 WeakPolarHBondContact O-CG2 3.39Å; L58-I61 PolarHBondContact O-N 3.46Å; A59-I61 VanDerWaalsContact C-N 3.34Å; A59-I61 PolarHBondContact O-N 3.18Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.08Å; I61-E64 HydrophobicContact CD1-CB 4.26Å; I61-E64 PolarHBondContact O-N 3.37Å; I61-E64 VanDerWaalsContact O-N 3.07Å; I61-I65 WeakPolarHBondContact O-CG1 3.44Å; I61-I65 PolarHBondContact O-N 3.43Å; I61-Y85 HydrophobicContact CG2-CD1 3.78Å; I61-Y85 HydrophobicContact CG2-CE1 3.65Å; I61-F150 HydrophobicContact CD1-CE2 4.19Å; I61-F154 VanDerWaalsContact CD1-CA 3.47Å; I61-F154 HydrophobicContact CD1-CB 3.96Å; I61-F154 HydrophobicContact CD1-CD2 4.09Å; I61-F154 HydrophobicContact CG1-CB 4.38Å; I61-F154 HydrophobicContact CG1-CD2 3.6Å; I61-F154 HydrophobicContact CG1-CE2 4.38Å; I61-F154 HydrophobicContact CG1-CG 4.45Å; I61-M157 HydrophobicContact CB-CB 4.3Å; I61-M157 HydrophobicContact CB-CG 4.08Å; I61-M157 HydrophobicContact CG1-CB 4.42Å; I61-M157 HydrophobicContact CG2-CG 4.13Å
62L94.5Very high93Very high1 Ų122.4 Ų22.41%0.00510%0.1CC..Hα-helixtrans-59.5-37.8171.4-84.6169.9000111.8F18 L58 A59 E64 I65 H66 R82 E86 F89F18-L62 HydrophobicContact CE2-CB 3.56Å; F18-L62 HydrophobicContact CE2-CD1 4.04Å; F18-L62 HydrophobicContact CE2-CG 4.46Å; F18-L62 HydrophobicContact CZ-CB 3.95Å; L58-L62 VanDerWaalsContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.96Å; A59-L62 PolarHBondContact O-N 3.43Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.9Å; L62-I65 HydrophobicContact CD2-CD1 4.27Å; L62-I65 PolarHBondContact O-N 3.28Å; L62-H66 PolarHBondContact O-N 3Å; L62-H66 VanDerWaalsContact O-N 3.14Å; L62-R82 HydrophobicContact CD2-CG 4.39Å; L62-E86 HydrophobicContact CD2-CG 4.01Å; L62-F89 HydrophobicContact CD1-CB 4.16Å
63Q92.4Very high92.6Very high23 Ų2318.6 Ų18.611%0.1079%0.088CC..Hα-helixtrans-61.9-36.7173.8-72.8-174.312.400112F18 G22 A59 N60 I61 H66 F382F18-Q63 HydrophobicContact CE1-CG 3.87Å; F18-Q63 HydrophobicContact CE2-CG 4.19Å; F18-Q63 HydrophobicContact CZ-CB 4.46Å; F18-Q63 HydrophobicContact CZ-CG 3.43Å; F18-Q63 VanDerWaalsContact CZ-CG 3.43Å; G22-Q63 VanDerWaalsContact CA-NE2 3.31Å; A59-Q63 VanDerWaalsContact O-CG 3.31Å; A59-Q63 WeakPolarHBondContact O-CG 3.46Å; A59-Q63 PolarHBondContact O-N 2.94Å; N60-Q63 PolarHBondContact O-N 3.17Å; I61-Q63 VanDerWaalsContact C-N 3.27Å; I61-Q63 PolarHBondContact O-N 3.08Å; Q63-H66 PolarHBondContact O-N 3.16Å; Q63-F382 HydrophobicContact CB-CD1 4.01Å; Q63-F382 HydrophobicContact CB-CD2 3.97Å; Q63-F382 HydrophobicContact CB-CE1 3.98Å; Q63-F382 HydrophobicContact CB-CE2 3.93Å; Q63-F382 HydrophobicContact CB-CG 3.96Å; Q63-F382 HydrophobicContact CB-CZ 3.92Å
64E93.1Very high92.3Very high1 Ų126.6 Ų26.61%0.00512%0.118CC..Hα-helixtrans-71.9-38.9174.3-64.3-166.5-143.300112.9N60 I61 L62 H66 L67 L68 F150 R153 F382 Y390N60-E64 PolarHBondContact O-N 2.98Å; I61-E64 HydrophobicContact CD1-CB 4.26Å; I61-E64 PolarHBondContact O-N 3.37Å; I61-E64 VanDerWaalsContact O-N 3.07Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.9Å; E64-H66 PolarHBondContact O-N 3.18Å; E64-L67 PolarHBondContact O-N 2.84Å; E64-L68 PolarHBondContact O-N 2.84Å; E64-F150 HydrophobicContact CB-CD2 4.17Å; E64-F150 HydrophobicContact CB-CE2 4.28Å; E64-R153 VanDerWaalsContact CD-NE 3.32Å; E64-R153 IonicContact OE1-CZ 2.8Å; E64-R153 VanDerWaalsContact OE1-CZ 3.24Å; E64-R153 IonicContact OE1-NE 3.58Å; E64-R153 PolarHBondContact OE1-NE 3.34Å; E64-R153 IonicContact OE1-NH2 3.22Å; E64-R153 PolarHBondContact OE1-NH2 3.34Å; E64-R153 WeakPolarHBondContact OE2-CD 3.41Å; E64-R153 IonicContact OE2-CZ 3.8Å; E64-R153 IonicContact OE2-NE 3.79Å; E64-R153 PolarHBondContact OE2-NE 3.19Å; E64-R153 IonicContact OE2-NH2 2.94Å; E64-F382 HydrophobicContact CG-CD2 3.47Å; E64-F382 VanDerWaalsContact CG-CD2 3.47Å; E64-F382 HydrophobicContact CG-CE2 4.01Å; E64-Y390 HydrophobicContact CB-CE2 4.14Å; E64-Y390 HydrophobicContact CG-CE2 4.03Å; E64-Y390 PolarHBondContact OE2-OH 2.86Å
65I92Very high92Very high4 Ų426.8 Ų26.82%0.02112%0.119CC..Hα-helixtrans-55.2-37.6174.2-69.5167.8000110.5I61 L62 L67 L68 V73 R82 F150 F154I61-I65 WeakPolarHBondContact O-CG1 3.44Å; I61-I65 PolarHBondContact O-N 3.43Å; L62-I65 HydrophobicContact CD2-CD1 4.27Å; L62-I65 PolarHBondContact O-N 3.28Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 3.37Å; I65-L68 WeakPolarHBondContact O-CB 3.33Å; I65-L68 PolarHBondContact O-N 3.4Å; I65-V73 WeakPolarHBondContact O-CG2 3.26Å; I65-R82 HydrophobicContact CG2-CB 4.15Å; I65-R82 HydrophobicContact CG2-CG 3.99Å; I65-F150 HydrophobicContact CB-CE2 4.43Å; I65-F150 HydrophobicContact CG1-CE2 3.61Å; I65-F150 HydrophobicContact CG1-CZ 3.58Å; I65-F154 HydrophobicContact CD1-CD2 4.34Å; I65-F154 HydrophobicContact CD1-CE2 4.05Å
66H87.2Confident91.9Very high28 Ų2831.3 Ų31.313%0.1315%0.148CC..THydrogen-bonded Turntrans-74-15.1178.7-62.8168.2000114.3L62 Q63 E64 E86L62-H66 PolarHBondContact O-N 3Å; L62-H66 VanDerWaalsContact O-N 3.14Å; Q63-H66 PolarHBondContact O-N 3.16Å; E64-H66 PolarHBondContact O-N 3.18Å; H66-E86 IonicContact NE2-OE1 3.75Å
67L89Confident91.8Very high51 Ų5132.1 Ų32.127%0.26715%0.154SC..THydrogen-bonded Turntrans-96.3-6.8176.1-64.1-175.3000113.5L3 E64 I65 F382 A387 Y390L3-L67 HydrophobicContact CD2-CD2 4.26Å; E64-L67 PolarHBondContact O-N 2.84Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 3.37Å; L67-F382 HydrophobicContact CD1-CE2 3.63Å; L67-F382 HydrophobicContact CD1-CZ 3.91Å; L67-A387 HydrophobicContact CD1-CB 3.79Å; L67-Y390 HydrophobicContact CB-CD2 3.75Å; L67-Y390 HydrophobicContact CB-CE2 4.49Å; L67-Y390 HydrophobicContact CB-CG 3.76Å; L67-Y390 HydrophobicContact CD1-CD2 3.75Å; L67-Y390 HydrophobicContact CD1-CG 4.43Å; L67-Y390 HydrophobicContact CG-CD2 4.43Å
68L86.4Confident91.6Very high12 Ų1232.3 Ų32.36%0.06316%0.156CC..SBendtrans-58.6155.1176.7-82174.8000112.2E64 I65 E70 L72 V73 F150 Y390E64-L68 PolarHBondContact O-N 2.84Å; I65-L68 WeakPolarHBondContact O-CB 3.33Å; I65-L68 PolarHBondContact O-N 3.4Å; L68-E70 PolarHBondContact O-N 2.91Å; L68-L72 HydrophobicContact CD1-CD2 3.95Å; L68-L72 HydrophobicContact CD1-CG 4.41Å; L68-L72 HydrophobicContact CD2-CD2 4.11Å; L68-V73 HydrophobicContact CB-CG2 3.45Å; L68-V73 VanDerWaalsContact CB-CG2 3.45Å; L68-V73 HydrophobicContact CD1-CG2 4.36Å; L68-F150 HydrophobicContact CD1-CD1 3.8Å; L68-F150 HydrophobicContact CD1-CD2 4.03Å; L68-F150 HydrophobicContact CD1-CE1 3.63Å; L68-F150 HydrophobicContact CD1-CE2 3.86Å; L68-F150 HydrophobicContact CD1-CG 4.01Å; L68-F150 HydrophobicContact CD1-CZ 3.67Å; L68-F150 HydrophobicContact CD2-CB 3.52Å; L68-F150 HydrophobicContact CD2-CD1 3.69Å; L68-F150 HydrophobicContact CD2-CD2 3.84Å; L68-F150 HydrophobicContact CD2-CE1 4.4Å; L68-F150 HydrophobicContact CD2-CG 3.38Å; L68-F150 HydrophobicContact CG-CB 4.49Å; L68-F150 HydrophobicContact CG-CD1 4.17Å; L68-F150 HydrophobicContact CG-CD2 3.88Å; L68-F150 HydrophobicContact CG-CE1 4.43Å; L68-F150 HydrophobicContact CG-CE2 4.15Å; L68-F150 HydrophobicContact CG-CG 3.91Å; L68-F150 HydrophobicContact CG-CZ 4.43Å; L68-Y390 HydrophobicContact CD2-CE1 4.45Å
69P84.6Confident91.5Very high21 Ų2133.5 Ų33.514%0.13616%0.164CC..  trans-51.3130.5170.8-25.234.8000110.4R71 L72 V73 T143 Q146P69-R71 PolarHBondContact O-N 3.42Å; P69-L72 PolarHBondContact O-N 3.41Å; P69-V73 PolarHBondContact O-N 2.94Å; P69-T143 HydrophobicContact CB-CG2 4.28Å; P69-T143 HydrophobicContact CG-CG2 4.02Å; P69-Q146 HydrophobicContact CG-CB 4.48Å
70E86.4Confident91.5Very high121 Ų12135.9 Ų35.957%0.56518%0.177SC*.Hα-helixtrans-54-29.9-178.6-179.4169.4-145.100112.4L68 L72 V73 R74L68-E70 PolarHBondContact O-N 2.91Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.44Å; E70-V73 PolarHBondContact O-N 3.14Å; E70-R74 VanDerWaalsContact CD-NE 3.3Å; E70-R74 HydrophobicContact CG-CG 3.98Å; E70-R74 VanDerWaalsContact O-CB 3.3Å; E70-R74 WeakPolarHBondContact O-CB 3.36Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.44Å; E70-R74 PolarHBondContact O-N 2.99Å; E70-R74 IonicContact OE1-CZ 3.07Å; E70-R74 IonicContact OE1-NE 3.4Å; E70-R74 PolarHBondContact OE1-NE 3.47Å; E70-R74 IonicContact OE1-NH2 2.61Å; E70-R74 PolarHBondContact OE1-NH2 3.14Å; E70-R74 IonicContact OE2-NH2 3.97Å
71R87.3Confident91.4Very high101 Ų10135.9 Ų35.938%0.38118%0.177SC..Hα-helixtrans-58.8-35.3174.7-58.5-179-171.3-177.25.7113.4P69 T75 M133 Y137 K138P69-R71 PolarHBondContact O-N 3.42Å; R71-T75 VanDerWaalsContact O-CG2 3.29Å; R71-T75 WeakPolarHBondContact O-CG2 3.35Å; R71-M133 HydrophobicContact CB-CG 4.07Å; R71-M133 HydrophobicContact CB-SD 4.44Å; R71-Y137 HydrophobicContact CB-CD2 3.86Å; R71-Y137 HydrophobicContact CB-CE2 3.99Å; R71-Y137 HydrophobicContact CB-CG 4.24Å; R71-Y137 HydrophobicContact CG-CD1 4.19Å; R71-Y137 HydrophobicContact CG-CD2 4.25Å; R71-Y137 HydrophobicContact CG-CE1 4.31Å; R71-Y137 HydrophobicContact CG-CE2 4.37Å; R71-Y137 HydrophobicContact CG-CG 4.16Å; R71-K138 PolarHBondContact NH1-O 3.27Å; R71-K138 VanDerWaalsContact NH1-O 3.14Å
72L89.8Confident91.4Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-84.1-47.8175.9-179.554.1000110.7L68 P69 E70 R74 T75 A78 G129 V130 M133 V147L68-L72 HydrophobicContact CD1-CD2 3.95Å; L68-L72 HydrophobicContact CD1-CG 4.41Å; L68-L72 HydrophobicContact CD2-CD2 4.11Å; P69-L72 PolarHBondContact O-N 3.41Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.44Å; L72-R74 PolarHBondContact O-N 3.21Å; L72-R74 VanDerWaalsContact O-N 3.16Å; L72-T75 WeakPolarHBondContact O-CG2 3.16Å; L72-T75 PolarHBondContact O-N 3.28Å; L72-T75 PolarHBondContact O-OG1 3.46Å; L72-A78 HydrophobicContact CD1-CB 4.22Å; L72-A78 HydrophobicContact CG-CB 4.42Å; L72-A78 WeakPolarHBondContact O-CB 3.41Å; L72-G129 VanDerWaalsContact CD1-O 3.31Å; L72-G129 WeakPolarHBondContact CD1-O 3.31Å; L72-V130 HydrophobicContact CD1-CG2 4.09Å; L72-V130 HydrophobicContact CD2-CG2 4.41Å; L72-M133 HydrophobicContact CB-CG 4.46Å; L72-M133 HydrophobicContact CB-SD 3.74Å; L72-M133 HydrophobicContact CD1-CB 4.2Å; L72-M133 HydrophobicContact CD1-SD 4.5Å; L72-V147 HydrophobicContact CD2-CG1 4.34Å; L72-V147 HydrophobicContact CD2-CG2 3.98Å
73V89Confident91.4Very high22 Ų2245.1 Ų45.113%0.13321%0.211CC..Hα-helixtrans-59.3-33.8-176.1-179.40000112.1I65 L68 P69 E70 T75 S79I65-V73 WeakPolarHBondContact O-CG2 3.26Å; L68-V73 HydrophobicContact CB-CG2 3.45Å; L68-V73 VanDerWaalsContact CB-CG2 3.45Å; L68-V73 HydrophobicContact CD1-CG2 4.36Å; P69-V73 PolarHBondContact O-N 2.94Å; E70-V73 PolarHBondContact O-N 3.14Å; V73-T75 VanDerWaalsContact C-N 3.31Å; V73-T75 PolarHBondContact O-N 2.93Å; V73-S79 PolarHBondContact O-OG 3.4Å
74R90Very high91.6Very high168 Ų16846 Ų4663%0.63421%0.214SC*.THydrogen-bonded Turntrans-76.9-9.8179.1-72-179.1176-155.81.3114.5E70 L72E70-R74 VanDerWaalsContact CD-NE 3.3Å; E70-R74 HydrophobicContact CG-CG 3.98Å; E70-R74 VanDerWaalsContact O-CB 3.3Å; E70-R74 WeakPolarHBondContact O-CB 3.36Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.44Å; E70-R74 PolarHBondContact O-N 2.99Å; E70-R74 IonicContact OE1-CZ 3.07Å; E70-R74 IonicContact OE1-NE 3.4Å; E70-R74 PolarHBondContact OE1-NE 3.47Å; E70-R74 IonicContact OE1-NH2 2.61Å; E70-R74 PolarHBondContact OE1-NH2 3.14Å; E70-R74 IonicContact OE2-NH2 3.97Å; L72-R74 PolarHBondContact O-N 3.21Å; L72-R74 VanDerWaalsContact O-N 3.16Å
75T93.4Very high91.7Very high6 Ų646 Ų464%0.03721%0.214CC..SBendtrans-67.5141.1177.571.30000109.9R71 L72 V73 S77 A78 S79 G129 E132 M133R71-T75 VanDerWaalsContact O-CG2 3.29Å; R71-T75 WeakPolarHBondContact O-CG2 3.35Å; L72-T75 WeakPolarHBondContact O-CG2 3.16Å; L72-T75 PolarHBondContact O-N 3.28Å; L72-T75 PolarHBondContact O-OG1 3.46Å; V73-T75 VanDerWaalsContact C-N 3.31Å; V73-T75 PolarHBondContact O-N 2.93Å; T75-S77 PolarHBondContact O-N 3.41Å; T75-A78 PolarHBondContact O-N 3.41Å; T75-A78 VanDerWaalsContact OG1-CB 3.29Å; T75-A78 WeakPolarHBondContact OG1-CB 3.42Å; T75-A78 PolarHBondContact OG1-N 3.39Å; T75-S79 WeakPolarHBondContact O-CB 3.45Å; T75-S79 PolarHBondContact O-N 3.07Å; T75-S79 PolarHBondContact O-OG 3.06Å; T75-G129 WeakPolarHBondContact CG2-O 3.4Å; T75-G129 WeakPolarHBondContact OG1-CA 3.39Å; T75-G129 PolarHBondContact OG1-O 3.47Å; T75-E132 WeakPolarHBondContact CB-OE2 3.4Å; T75-E132 HydrophobicContact CG2-CB 3.89Å; T75-E132 PolarHBondContact OG1-OE2 2.98Å; T75-M133 HydrophobicContact CG2-CB 4.12Å
76P95.1Very high91.9Very high95 Ų9547.1 Ų47.162%0.61722%0.219SC*.Hα-helixtrans-51.5-41.7-178.2-28.934.5000112.8L80 E132P76-L80 WeakPolarHBondContact O-CB 3.32Å; P76-L80 PolarHBondContact O-N 3.42Å; P76-E132 WeakPolarHBondContact CD-OE2 3.4Å
77S94.9Very high92.2Very high17 Ų1750.1 Ų50.112%0.11923%0.233CC..Hα-helixtrans-72.2-43.5-176.8-63.30000112.7T75 S79 L80 V81 T125 E132T75-S77 PolarHBondContact O-N 3.41Å; S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 3.19Å; S77-L80 WeakPolarHBondContact O-CB 3.28Å; S77-L80 PolarHBondContact O-N 3.09Å; S77-V81 PolarHBondContact O-N 3.22Å; S77-V81 VanDerWaalsContact O-N 3.1Å; S77-T125 VanDerWaalsContact CB-O 3.24Å; S77-T125 WeakPolarHBondContact CB-O 3.16Å; S77-E132 WeakPolarHBondContact CB-OE2 3.5Å; S77-E132 PolarHBondContact N-OE2 2.86Å; S77-E132 PolarHBondContact OG-OE1 3.48Å; S77-E132 PolarHBondContact OG-OE2 2.9Å
78A94.2Very high92.6Very high5 Ų547.7 Ų47.74%0.04122%0.22CC..Hα-helixtrans-66-37.8175.200000112.1L72 T75 L80 V81 R82 M126L72-A78 HydrophobicContact CD1-CB 4.22Å; L72-A78 HydrophobicContact CG-CB 4.42Å; L72-A78 WeakPolarHBondContact O-CB 3.41Å; T75-A78 PolarHBondContact O-N 3.41Å; T75-A78 VanDerWaalsContact OG1-CB 3.29Å; T75-A78 WeakPolarHBondContact OG1-CB 3.42Å; T75-A78 PolarHBondContact OG1-N 3.39Å; A78-L80 VanDerWaalsContact C-N 3.32Å; A78-L80 PolarHBondContact O-N 3.39Å; A78-V81 PolarHBondContact O-N 2.98Å; A78-R82 PolarHBondContact O-N 3.49Å; A78-M126 HydrophobicContact CB-SD 4.36Å
79S94.1Very high93.1Very high26 Ų2647.1 Ų47.118%0.18222%0.217CC..Hα-helixtrans-64.3-34.3174.1-820000112.7V73 T75 S77 R83V73-S79 PolarHBondContact O-OG 3.4Å; T75-S79 WeakPolarHBondContact O-CB 3.45Å; T75-S79 PolarHBondContact O-N 3.07Å; T75-S79 PolarHBondContact O-OG 3.06Å; S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 3.19Å; S79-R83 WeakPolarHBondContact O-CG 3.47Å; S79-R83 PolarHBondContact O-N 2.94Å
80L95.5Very high93.5Very high51 Ų5147.3 Ų47.327%0.26722%0.219SC..Hα-helixtrans-65.2-47.5172.9179.160.2000111.5P76 S77 A78 R82 R83 W84 T125P76-L80 WeakPolarHBondContact O-CB 3.32Å; P76-L80 PolarHBondContact O-N 3.42Å; S77-L80 WeakPolarHBondContact O-CB 3.28Å; S77-L80 PolarHBondContact O-N 3.09Å; A78-L80 VanDerWaalsContact C-N 3.32Å; A78-L80 PolarHBondContact O-N 3.39Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.25Å; L80-R83 PolarHBondContact O-N 3.29Å; L80-W84 HydrophobicContact CD1-CD2 4.47Å; L80-W84 HydrophobicContact CD1-CZ2 3.83Å; L80-W84 HydrophobicContact CD2-CH2 3.8Å; L80-W84 HydrophobicContact CD2-CZ2 3.52Å; L80-W84 HydrophobicContact CG-CD2 4.24Å; L80-W84 HydrophobicContact CG-CH2 3.92Å; L80-W84 HydrophobicContact CG-CZ2 3.5Å; L80-W84 VanDerWaalsContact CG-CZ2 3.5Å; L80-W84 HydrophobicContact CG-CZ3 4.45Å; L80-W84 PolarHBondContact O-N 3.24Å; L80-W84 VanDerWaalsContact O-N 3.09Å; L80-T125 HydrophobicContact CD2-CG2 4.1Å
81V95.7Very high93.9Very high0 Ų043.5 Ų43.50%020%0.201CC..Hα-helixtrans-59.5-43.9176.8174.80000111.2S77 A78 R83 W84 Y85 V122 T125 M126 F154S77-V81 PolarHBondContact O-N 3.22Å; S77-V81 VanDerWaalsContact O-N 3.1Å; A78-V81 PolarHBondContact O-N 2.98Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.22Å; V81-W84 HydrophobicContact CG2-CE3 4.18Å; V81-W84 HydrophobicContact CG2-CZ3 4.09Å; V81-W84 PolarHBondContact O-N 3.32Å; V81-Y85 HydrophobicContact CG1-CD2 3.97Å; V81-Y85 HydrophobicContact CG1-CE2 3.85Å; V81-Y85 VanDerWaalsContact O-CD2 3.31Å; V81-Y85 WeakPolarHBondContact O-CD2 3.38Å; V81-Y85 PolarHBondContact O-N 3.44Å; V81-Y85 VanDerWaalsContact O-N 3.16Å; V81-V122 HydrophobicContact CG1-CG1 4.15Å; V81-T125 HydrophobicContact CG2-CG2 3.7Å; V81-M126 HydrophobicContact CB-CE 3.81Å; V81-M126 HydrophobicContact CG1-CE 3.61Å; V81-M126 HydrophobicContact CG2-CB 4.35Å; V81-M126 HydrophobicContact CG2-CE 4.19Å; V81-F154 HydrophobicContact CG1-CE2 4.16Å; V81-F154 HydrophobicContact CG1-CZ 3.64Å
82R94.4Very high94.3Very high55 Ų5538.7 Ų38.721%0.20818%0.183CC..Hα-helixtrans-54.7-49.3175.3-173.6-174.970.2-156.3-5.2111.6L62 I65 A78 L80 W84 Y85 E86L62-R82 HydrophobicContact CD2-CG 4.39Å; I65-R82 HydrophobicContact CG2-CB 4.15Å; I65-R82 HydrophobicContact CG2-CG 3.99Å; A78-R82 PolarHBondContact O-N 3.49Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.25Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 2.81Å; R82-Y85 PolarHBondContact O-N 2.96Å; R82-E86 WeakPolarHBondContact CD-OE1 3.47Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 IonicContact NE-OE1 3.61Å; R82-E86 PolarHBondContact NE-OE1 3.28Å; R82-E86 WeakPolarHBondContact O-CG 3.45Å; R82-E86 PolarHBondContact O-N 3.19Å
83R94.7Very high94.5Very high140 Ų14039 Ų3953%0.52819%0.185SC..Hα-helixtrans-60.1-38.9179.5-74.6-175.9-67.6159.4-2.8112.7S79 L80 V81 E86 Q87S79-R83 WeakPolarHBondContact O-CG 3.47Å; S79-R83 PolarHBondContact O-N 2.94Å; L80-R83 PolarHBondContact O-N 3.29Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.22Å; R83-E86 PolarHBondContact O-N 2.82Å; R83-Q87 WeakPolarHBondContact O-CB 3.47Å; R83-Q87 PolarHBondContact O-N 3.47Å
84W96.6Very high94.6Very high43 Ų4342.9 Ų42.916%0.16320%0.204CC..Hα-helixtrans-63.5-41.1176.2-67-26.1000112.7L80 V81 R82 S88 R118 V122 T125L80-W84 HydrophobicContact CD1-CD2 4.47Å; L80-W84 HydrophobicContact CD1-CZ2 3.83Å; L80-W84 HydrophobicContact CD2-CH2 3.8Å; L80-W84 HydrophobicContact CD2-CZ2 3.52Å; L80-W84 HydrophobicContact CG-CD2 4.24Å; L80-W84 HydrophobicContact CG-CH2 3.92Å; L80-W84 HydrophobicContact CG-CZ2 3.5Å; L80-W84 VanDerWaalsContact CG-CZ2 3.5Å; L80-W84 HydrophobicContact CG-CZ3 4.45Å; L80-W84 PolarHBondContact O-N 3.24Å; L80-W84 VanDerWaalsContact O-N 3.09Å; V81-W84 HydrophobicContact CG2-CE3 4.18Å; V81-W84 HydrophobicContact CG2-CZ3 4.09Å; V81-W84 PolarHBondContact O-N 3.32Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 2.81Å; W84-S88 WeakPolarHBondContact O-CB 3.38Å; W84-S88 PolarHBondContact O-N 3.09Å; W84-S88 PolarHBondContact O-OG 3.35Å; W84-S88 VanDerWaalsContact O-OG 3.08Å; W84-R118 HydrophobicContact CB-CG 4.03Å; W84-R118 HydrophobicContact CD2-CG 4.43Å; W84-R118 HydrophobicContact CG-CG 3.83Å; W84-V122 HydrophobicContact CE3-CG2 3.77Å; W84-V122 HydrophobicContact CZ3-CG2 3.99Å; W84-T125 HydrophobicContact CH2-CG2 4.18Å; W84-T125 HydrophobicContact CZ3-CG2 4.19Å
85Y96.1Very high94.8Very high1 Ų135.5 Ų35.50%0.00418%0.177CC..Hα-helixtrans-68.7-41.6177-83.6-114.1000111.5L58 I61 V81 R82 S88 F89 H119 V122 F154L58-Y85 HydrophobicContact CD2-CD1 3.49Å; L58-Y85 VanDerWaalsContact CD2-CD1 3.49Å; L58-Y85 HydrophobicContact CD2-CE1 3.88Å; L58-Y85 HydrophobicContact CD2-CG 4.25Å; I61-Y85 HydrophobicContact CG2-CD1 3.78Å; I61-Y85 HydrophobicContact CG2-CE1 3.65Å; V81-Y85 HydrophobicContact CG1-CD2 3.97Å; V81-Y85 HydrophobicContact CG1-CE2 3.85Å; V81-Y85 VanDerWaalsContact O-CD2 3.31Å; V81-Y85 WeakPolarHBondContact O-CD2 3.38Å; V81-Y85 PolarHBondContact O-N 3.44Å; V81-Y85 VanDerWaalsContact O-N 3.16Å; R82-Y85 PolarHBondContact O-N 2.96Å; Y85-S88 PolarHBondContact O-N 3.24Å; Y85-F89 WeakPolarHBondContact O-CB 3.48Å; Y85-F89 PolarHBondContact O-N 3.37Å; Y85-H119 AromaticContact CD2-CE1 3.4Å; Y85-H119 WeakPolarHBondContact CD2-CE1 3.36Å; Y85-H119 AromaticContact CD2-ND1 3.92Å; Y85-H119 AromaticContact CE2-CE1 3.4Å; Y85-H119 VanDerWaalsContact CE2-CE1 3.4Å; Y85-H119 WeakPolarHBondContact CE2-CE1 3.18Å; Y85-H119 AromaticContact CE2-ND1 3.43Å; Y85-H119 WeakPolarHBondContact CE2-ND1 3.37Å; Y85-H119 AromaticContact CG-CE1 3.82Å; Y85-H119 AromaticContact CZ-CE1 3.83Å; Y85-H119 AromaticContact CZ-ND1 3.73Å; Y85-V122 HydrophobicContact CE2-CG1 4.13Å; Y85-V122 HydrophobicContact CE2-CG2 4.22Å; Y85-F154 AromaticContact CE1-CE2 3.99Å; Y85-F154 HydrophobicContact CE1-CE2 3.99Å; Y85-F154 AromaticContact CE2-CE2 3.84Å; Y85-F154 HydrophobicContact CE2-CE2 3.84Å; Y85-F154 AromaticContact CE2-CZ 3.82Å; Y85-F154 HydrophobicContact CE2-CZ 3.82Å; Y85-F154 AromaticContact CZ-CE2 3.48Å; Y85-F154 VanDerWaalsContact CZ-CE2 3.48Å; Y85-F154 AromaticContact CZ-CZ 3.72Å; Y85-F154 WeakPolarHBondContact OH-CE2 3.22Å; Y85-F154 WeakPolarHBondContact OH-CZ 3.41Å
86E94.4Very high94.5Very high27 Ų2737.5 Ų37.513%0.12619%0.186CC..Hα-helixtrans-59.4-46.7173.8-73.4168.5175.800111.5I9 L10 L62 H66 R82 R83 F89 C90I9-E86 WeakPolarHBondContact CG2-OE1 3.36Å; L10-E86 HydrophobicContact CD2-CB 4.08Å; L10-E86 HydrophobicContact CD2-CG 4.11Å; L62-E86 HydrophobicContact CD2-CG 4.01Å; H66-E86 IonicContact NE2-OE1 3.75Å; R82-E86 WeakPolarHBondContact CD-OE1 3.47Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 IonicContact NE-OE1 3.61Å; R82-E86 PolarHBondContact NE-OE1 3.28Å; R82-E86 WeakPolarHBondContact O-CG 3.45Å; R82-E86 PolarHBondContact O-N 3.19Å; R83-E86 PolarHBondContact O-N 2.82Å; E86-F89 PolarHBondContact O-N 3.32Å; E86-C90 PolarHBondContact O-N 3.36Å; E86-C90 PolarHBondContact O-SG 3.43Å
87Q95.1Very high94.1Very high91 Ų9141.5 Ų41.543%0.42519%0.194SC..Hα-helixtrans-61.2-49.2177.2-179.9178.9-11.100111.4R83 F89 C90 E91R83-Q87 WeakPolarHBondContact O-CB 3.47Å; R83-Q87 PolarHBondContact O-N 3.47Å; Q87-F89 VanDerWaalsContact C-N 3.28Å; Q87-F89 PolarHBondContact O-N 2.89Å; Q87-C90 PolarHBondContact O-N 2.92Å; Q87-E91 HydrophobicContact CG-CG 4.42Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.24Å; Q87-E91 PolarHBondContact NE2-OE1 3.24Å; Q87-E91 WeakPolarHBondContact O-CG 3.33Å; Q87-E91 PolarHBondContact O-N 3.27Å
88S96.7Very high94Very high0 Ų043.3 Ų43.30%020%0.202CC..Hα-helixtrans-60-39.1177.4-68.30000112.4W84 Y85 L92 R118 H119W84-S88 WeakPolarHBondContact O-CB 3.38Å; W84-S88 PolarHBondContact O-N 3.09Å; W84-S88 PolarHBondContact O-OG 3.35Å; W84-S88 VanDerWaalsContact O-OG 3.08Å; Y85-S88 PolarHBondContact O-N 3.24Å; S88-L92 WeakPolarHBondContact O-CD1 3.26Å; S88-L92 VanDerWaalsContact O-CG 3.28Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 3.02Å; S88-R118 PolarHBondContact OG-NH1 3.34Å; S88-H119 PolarHBondContact OG-NE2 3.43Å
89F96.1Very high93.9Very high0 Ų051.6 Ų51.60%024%0.239CC..Hα-helixtrans-61.8-49.3174.9179.7-95.6000110.8L10 H17 F18 F21 P55 L58 A59 L62 Y85 E86 Q87 E91 L92 M93L10-F89 HydrophobicContact CD1-CD1 4.01Å; L10-F89 HydrophobicContact CD1-CE1 4.21Å; H17-F89 HydrophobicContact CB-CE1 4.34Å; H17-F89 HydrophobicContact CB-CZ 4.26Å; F18-F89 HydrophobicContact CB-CE1 4Å; F18-F89 HydrophobicContact CB-CZ 4.18Å; F18-F89 HydrophobicContact CD2-CE1 4.42Å; F18-F89 HydrophobicContact CD2-CZ 4.42Å; F21-F89 HydrophobicContact CB-CE2 4.04Å; F21-F89 HydrophobicContact CB-CZ 4.25Å; F21-F89 HydrophobicContact CD2-CZ 4.31Å; F21-F89 HydrophobicContact CG-CE2 4.39Å; P55-F89 HydrophobicContact CB-CD2 4.12Å; P55-F89 HydrophobicContact CB-CE2 3.82Å; L58-F89 HydrophobicContact CB-CD2 4.25Å; L58-F89 HydrophobicContact CD1-CB 4.45Å; A59-F89 HydrophobicContact CB-CD2 4.33Å; A59-F89 HydrophobicContact CB-CE2 3.85Å; L62-F89 HydrophobicContact CD1-CB 4.16Å; Y85-F89 WeakPolarHBondContact O-CB 3.48Å; Y85-F89 PolarHBondContact O-N 3.37Å; E86-F89 PolarHBondContact O-N 3.32Å; Q87-F89 VanDerWaalsContact C-N 3.28Å; Q87-F89 PolarHBondContact O-N 2.89Å; F89-E91 PolarHBondContact O-N 3.43Å; F89-L92 PolarHBondContact O-N 3.21Å; F89-M93 HydrophobicContact CD1-CG 4.15Å; F89-M93 HydrophobicContact CE1-CG 3.78Å; F89-M93 HydrophobicContact CE1-SD 4.11Å; F89-M93 HydrophobicContact CE2-SD 4.21Å; F89-M93 HydrophobicContact CZ-CG 3.98Å; F89-M93 HydrophobicContact CZ-SD 3.71Å; F89-M93 VanDerWaalsContact O-CG 3.28Å; F89-M93 WeakPolarHBondContact O-CG 3.17Å; F89-M93 PolarHBondContact O-N 3.06Å
90C94Very high93.9Very high25 Ų2553.1 Ų53.117%0.16924%0.241CC..Hα-helixtrans-61.4-45.3-179.3-63.70000112.4F14 E86 Q87 L92 M93F14-C90 HydrophobicContact CD1-CB 4.1Å; F14-C90 HydrophobicContact CD2-CB 4.5Å; F14-C90 HydrophobicContact CE1-CB 3.88Å; F14-C90 HydrophobicContact CE2-CB 4.29Å; F14-C90 HydrophobicContact CG-CB 4.41Å; F14-C90 HydrophobicContact CZ-CB 3.97Å; E86-C90 PolarHBondContact O-N 3.36Å; E86-C90 PolarHBondContact O-SG 3.43Å; Q87-C90 PolarHBondContact O-N 2.92Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.03Å; C90-M93 WeakPolarHBondContact O-CB 3.35Å; C90-M93 PolarHBondContact O-N 3.3Å; C90-M93 VanDerWaalsContact O-N 3.1Å
91E94.9Very high93.9Very high40 Ų4055 Ų5519%0.18725%0.251CS..Hα-helixtrans-60.8-36.3178.3-72.3170.2176.400112.4Q87 F89 M93 I111 R118Q87-E91 HydrophobicContact CG-CG 4.42Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.24Å; Q87-E91 PolarHBondContact NE2-OE1 3.24Å; Q87-E91 WeakPolarHBondContact O-CG 3.33Å; Q87-E91 PolarHBondContact O-N 3.27Å; F89-E91 PolarHBondContact O-N 3.43Å; E91-M93 VanDerWaalsContact C-N 3.34Å; E91-I111 HydrophobicContact CB-CG2 4.07Å; E91-R118 VanDerWaalsContact CD-NH2 3.26Å; E91-R118 IonicContact OE1-CZ 2.79Å; E91-R118 IonicContact OE1-NH1 2.74Å; E91-R118 IonicContact OE1-NH2 2.68Å; E91-R118 PolarHBondContact OE1-NH2 3.01Å; E91-R118 IonicContact OE2-CZ 2.91Å; E91-R118 IonicContact OE2-NH1 3.17Å; E91-R118 PolarHBondContact OE2-NH1 3.28Å; E91-R118 IonicContact OE2-NH2 3.77Å; E91-R118 PolarHBondContact OE2-NH2 2.9Å
92L95.7Very high93.8Very high1 Ų162.5 Ų62.51%0.00529%0.287CS..Hα-helixtrans-73.6-25.1177.1-70.2165.8000112.9L54 P55 L58 S88 F89 C90 D94 F95 F108 L112 I115L54-L92 HydrophobicContact CB-CD1 3.69Å; L54-L92 HydrophobicContact CD1-CD1 4.44Å; L54-L92 HydrophobicContact CD1-CD2 4.21Å; P55-L92 HydrophobicContact CG-CB 3.78Å; P55-L92 HydrophobicContact CG-CD1 4.28Å; L58-L92 HydrophobicContact CD1-CD1 3.53Å; S88-L92 WeakPolarHBondContact O-CD1 3.26Å; S88-L92 VanDerWaalsContact O-CG 3.28Å; S88-L92 WeakPolarHBondContact O-CG 3.29Å; S88-L92 PolarHBondContact O-N 3.02Å; F89-L92 PolarHBondContact O-N 3.21Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.03Å; L92-D94 PolarHBondContact O-N 2.72Å; L92-F95 PolarHBondContact O-N 3.35Å; L92-F108 HydrophobicContact CD2-CE2 3.99Å; L92-L112 HydrophobicContact CD2-CD2 3.76Å; L92-I115 HydrophobicContact CD1-CD1 4Å; L92-I115 HydrophobicContact CD2-CD1 3.89Å; L92-I115 HydrophobicContact CG-CD1 3.7Å
93M93Very high93.8Very high6 Ų666.7 Ų66.73%0.0331%0.306CS..Hα-helixtrans-69.4-19.2-180-68.5-67.578.700114.1F14 H17 F21 P55 F89 C90 E91 F95 E96F14-M93 HydrophobicContact CD1-CB 4.05Å; F14-M93 HydrophobicContact CD1-CG 4.22Å; F14-M93 HydrophobicContact CE1-CB 3.91Å; H17-M93 HydrophobicContact CB-CG 4.31Å; H17-M93 HydrophobicContact CB-SD 3.68Å; F21-M93 HydrophobicContact CD2-CE 4.01Å; F21-M93 HydrophobicContact CD2-SD 3.62Å; F21-M93 HydrophobicContact CE1-CE 4.29Å; F21-M93 HydrophobicContact CE2-CE 3.43Å; F21-M93 VanDerWaalsContact CE2-CE 3.43Å; F21-M93 HydrophobicContact CE2-SD 3.35Å; F21-M93 WeakPolarHBondContact CE2-SD 3.29Å; F21-M93 HydrophobicContact CZ-CE 3.62Å; F21-M93 HydrophobicContact CZ-SD 4.18Å; P55-M93 HydrophobicContact CB-CE 3.29Å; P55-M93 HydrophobicContact CB-SD 4.44Å; P55-M93 HydrophobicContact CG-CE 3.2Å; F89-M93 HydrophobicContact CD1-CG 4.15Å; F89-M93 HydrophobicContact CE1-CG 3.78Å; F89-M93 HydrophobicContact CE1-SD 4.11Å; F89-M93 HydrophobicContact CE2-SD 4.21Å; F89-M93 HydrophobicContact CZ-CG 3.98Å; F89-M93 HydrophobicContact CZ-SD 3.71Å; F89-M93 VanDerWaalsContact O-CG 3.28Å; F89-M93 WeakPolarHBondContact O-CG 3.17Å; F89-M93 PolarHBondContact O-N 3.06Å; C90-M93 WeakPolarHBondContact O-CB 3.35Å; C90-M93 PolarHBondContact O-N 3.3Å; C90-M93 VanDerWaalsContact O-N 3.1Å; E91-M93 VanDerWaalsContact C-N 3.34Å; M93-F95 PolarHBondContact O-N 3.12Å; M93-E96 PolarHBondContact O-N 3.33Å
94D91.8Very high93.8Very high103 Ų10360.2 Ų60.255%0.55128%0.282SS*.THydrogen-bonded Turntrans-67.6-14173.7-67.3-27.4000112.6L92L92-D94 PolarHBondContact O-N 2.72Å
95F94.3Very high93.7Very high14 Ų1458.7 Ų58.76%0.06128%0.278CS..THydrogen-bonded Turntrans-104.10.4-178.9-60.9-90.6000114.9A51 L92 M93 K97 I98 W100 Q107 F108 I111A51-F95 HydrophobicContact CB-CB 4.15Å; L92-F95 PolarHBondContact O-N 3.35Å; M93-F95 PolarHBondContact O-N 3.12Å; F95-K97 VanDerWaalsContact C-N 3.27Å; F95-K97 PolarHBondContact O-N 2.83Å; F95-K97 VanDerWaalsContact O-N 3.15Å; F95-I98 HydrophobicContact CB-CG2 4.28Å; F95-I98 HydrophobicContact CD1-CD1 3.96Å; F95-I98 HydrophobicContact CD1-CG2 4.28Å; F95-I98 HydrophobicContact CE1-CD1 4.32Å; F95-I98 WeakPolarHBondContact O-CG2 3.4Å; F95-I98 PolarHBondContact O-N 2.86Å; F95-W100 HydrophobicContact CB-CH2 4.46Å; F95-W100 HydrophobicContact CD1-CH2 4.31Å; F95-W100 HydrophobicContact CD1-CZ3 4.33Å; F95-Q107 HydrophobicContact CE1-CB 4.41Å; F95-Q107 HydrophobicContact CZ-CB 4.37Å; F95-F108 HydrophobicContact CB-CD2 4.24Å; F95-F108 HydrophobicContact CB-CE2 4.36Å; F95-F108 HydrophobicContact CD1-CB 4.12Å; F95-F108 AromaticContact CD1-CD2 3.69Å; F95-F108 HydrophobicContact CD1-CD2 3.69Å; F95-F108 HydrophobicContact CD1-CG 4.33Å; F95-F108 AromaticContact CD2-CD2 3.88Å; F95-F108 HydrophobicContact CD2-CD2 3.88Å; F95-F108 HydrophobicContact CD2-CE2 4.36Å; F95-F108 HydrophobicContact CE1-CB 3.75Å; F95-F108 AromaticContact CE1-CD2 3.95Å; F95-F108 HydrophobicContact CE1-CD2 3.95Å; F95-F108 HydrophobicContact CE1-CG 4.35Å; F95-F108 HydrophobicContact CE2-CD2 4.12Å; F95-F108 AromaticContact CG-CD2 3.66Å; F95-F108 HydrophobicContact CG-CD2 3.66Å; F95-F108 HydrophobicContact CG-CE2 4.2Å; F95-F108 HydrophobicContact CZ-CB 4.21Å; F95-F108 HydrophobicContact CZ-CD2 4.15Å; F95-I111 HydrophobicContact CE2-CB 4.41Å; F95-I111 HydrophobicContact CE2-CG1 4.11Å; F95-I111 HydrophobicContact CE2-CG2 4.43Å; F95-I111 HydrophobicContact CZ-CG1 4.18Å
96E88Confident93.6Very high48 Ų4862.5 Ų62.522%0.22430%0.298CS..THydrogen-bonded Turntrans-57.1-36.7-172.5-177.5-169.3148.400113.8H17 R20 F21 M93H17-E96 IonicContact CE1-OE2 2.93Å; H17-E96 PolarHBondContact CE1-OE2 3.48Å; H17-E96 IonicContact ND1-OE2 3.87Å; H17-E96 PolarHBondContact ND1-OE2 3.47Å; R20-E96 IonicContact CZ-OE1 2.98Å; R20-E96 IonicContact CZ-OE2 3.99Å; R20-E96 IonicContact NH1-OE1 3.28Å; R20-E96 PolarHBondContact NH1-OE1 3.4Å; R20-E96 IonicContact NH2-OE1 3.48Å; R20-E96 PolarHBondContact NH2-OE1 3.09Å; R20-E96 IonicContact NH2-OE2 3.73Å; R20-E96 PolarHBondContact NH2-OE2 3.46Å; F21-E96 HydrophobicContact CE2-CG 4.49Å; F21-E96 HydrophobicContact CZ-CG 4.2Å; M93-E96 PolarHBondContact O-N 3.33Å
97K86.7Confident93.7Very high178 Ų17865.2 Ų65.277%0.77431%0.311SS*.THydrogen-bonded Turntrans-128.530.1-174.1-60.5-175.9-178.5177.20112.2F95F95-K97 VanDerWaalsContact C-N 3.27Å; F95-K97 PolarHBondContact O-N 2.83Å; F95-K97 VanDerWaalsContact O-N 3.15Å
98I91.8Very high93.7Very high56 Ų5660.9 Ų60.929%0.28729%0.29SS..  trans-78.9144.5179.8-158.9158.1000110.7F95 W100 S104F95-I98 HydrophobicContact CB-CG2 4.28Å; F95-I98 HydrophobicContact CD1-CD1 3.96Å; F95-I98 HydrophobicContact CD1-CG2 4.28Å; F95-I98 HydrophobicContact CE1-CD1 4.32Å; F95-I98 WeakPolarHBondContact O-CG2 3.4Å; F95-I98 PolarHBondContact O-N 2.86Å; I98-W100 HydrophobicContact CG2-CD2 4.03Å; I98-W100 HydrophobicContact CG2-CE3 4.1Å; I98-W100 HydrophobicContact CG2-CH2 4.01Å; I98-W100 HydrophobicContact CG2-CZ2 3.9Å; I98-W100 HydrophobicContact CG2-CZ3 4.1Å; I98-S104 VanDerWaalsContact CD1-CB 3.48Å
99E92.9Very high93.7Very high178 Ų17861.8 Ų61.883%0.83230%0.295SS*.  trans-83.9127.5163.8-67-174.4172.100108.6D101 S104E99-D101 PolarHBondContact O-N 2.95Å; E99-S104 PolarHBondContact O-OG 3.38Å
100W94.3Very high93.6Very high58 Ų5868.3 Ų68.322%0.2233%0.326CS..  trans-79.3113.9-174.7-63.5104.2000111Q44 A47 S48 A51 F95 I98 S104 L105 F108Q44-W100 HydrophobicContact CB-CB 4.48Å; Q44-W100 HydrophobicContact CG-CB 4.17Å; A47-W100 VanDerWaalsContact C-CZ2 3.41Å; A47-W100 HydrophobicContact CB-CD2 4.17Å; A47-W100 HydrophobicContact CB-CE3 3.92Å; A47-W100 HydrophobicContact CB-CH2 3.56Å; A47-W100 HydrophobicContact CB-CZ2 3.84Å; A47-W100 HydrophobicContact CB-CZ3 3.6Å; A47-W100 WeakPolarHBondContact O-CZ2 3.41Å; S48-W100 VanDerWaalsContact OG-CD1 3.29Å; S48-W100 PolarHBondContact OG-NE1 3.42Å; A51-W100 HydrophobicContact CB-CH2 4.05Å; A51-W100 HydrophobicContact CB-CZ2 3.78Å; F95-W100 HydrophobicContact CB-CH2 4.46Å; F95-W100 HydrophobicContact CD1-CH2 4.31Å; F95-W100 HydrophobicContact CD1-CZ3 4.33Å; I98-W100 HydrophobicContact CG2-CD2 4.03Å; I98-W100 HydrophobicContact CG2-CE3 4.1Å; I98-W100 HydrophobicContact CG2-CH2 4.01Å; I98-W100 HydrophobicContact CG2-CZ2 3.9Å; I98-W100 HydrophobicContact CG2-CZ3 4.1Å; W100-S104 WeakPolarHBondContact CA-OG 3.48Å; W100-L105 HydrophobicContact CD2-CD2 4.28Å; W100-L105 HydrophobicContact CE3-CD2 3.56Å; W100-L105 HydrophobicContact CE3-CG 4.14Å; W100-L105 HydrophobicContact CZ3-CD2 4.08Å; W100-F108 HydrophobicContact CH2-CB 4.4Å; W100-F108 HydrophobicContact CH2-CD1 4.17Å; W100-F108 HydrophobicContact CH2-CD2 4Å; W100-F108 HydrophobicContact CH2-CE1 4.43Å; W100-F108 HydrophobicContact CH2-CE2 4.28Å; W100-F108 AromaticContact CH2-CG 3.94Å; W100-F108 HydrophobicContact CH2-CG 3.94Å; W100-F108 HydrophobicContact CH2-CZ 4.48Å; W100-F108 HydrophobicContact CZ3-CB 3.92Å; W100-F108 HydrophobicContact CZ3-CD1 4.27Å; W100-F108 HydrophobicContact CZ3-CD2 4.36Å; W100-F108 AromaticContact CZ3-CG 3.94Å; W100-F108 HydrophobicContact CZ3-CG 3.94Å
101D94.5Very high93.7Very high91 Ų9169.2 Ų69.249%0.48733%0.328SS..  trans-125.7177.4169.968.127.1000109.2E99 K103 S104 L105E99-D101 PolarHBondContact O-N 2.95Å; D101-K103 PolarHBondContact O-N 3.01Å; D101-K103 WeakPolarHBondContact OD1-CA 3.5Å; D101-K103 WeakPolarHBondContact OD1-CB 3.24Å; D101-K103 PolarHBondContact OD1-N 3.31Å; D101-S104 PolarHBondContact N-OG 3.13Å; D101-S104 PolarHBondContact O-N 3.41Å; D101-S104 PolarHBondContact O-OG 2.95Å; D101-S104 PolarHBondContact OD1-N 2.9Å; D101-S104 PolarHBondContact OD1-OG 2.89Å; D101-L105 WeakPolarHBondContact O-CB 3.4Å; D101-L105 WeakPolarHBondContact O-CG 3.4Å; D101-L105 PolarHBondContact O-N 3.15Å
102E93.2Very high93.8Very high158 Ų15867.3 Ų67.374%0.73832%0.319SS*.Hα-helixtrans-60-35.4-178.9-171.717817400112.5N106E102-N106 WeakPolarHBondContact O-CB 3.43Å; E102-N106 VanDerWaalsContact O-CG 3.25Å; E102-N106 PolarHBondContact O-N 3.38Å; E102-N106 PolarHBondContact O-ND2 2.91Å
103K94.5Very high93.8Very high142 Ų14268.6 Ų68.662%0.61733%0.33SS*.Hα-helixtrans-72-46.7-178.9-177.9-178175.8-175.80111.1D101 L105 N106 Q107D101-K103 PolarHBondContact O-N 3.01Å; D101-K103 WeakPolarHBondContact OD1-CA 3.5Å; D101-K103 WeakPolarHBondContact OD1-CB 3.24Å; D101-K103 PolarHBondContact OD1-N 3.31Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 3.19Å; K103-N106 PolarHBondContact O-N 2.85Å; K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.22Å
104S95.2Very high94Very high4 Ų470.8 Ų70.83%0.02835%0.346CS..Hα-helixtrans-67.1-33.817961.80000111.8I98 E99 W100 D101 F108I98-S104 VanDerWaalsContact CD1-CB 3.48Å; E99-S104 PolarHBondContact O-OG 3.38Å; W100-S104 WeakPolarHBondContact CA-OG 3.48Å; D101-S104 PolarHBondContact N-OG 3.13Å; D101-S104 PolarHBondContact O-N 3.41Å; D101-S104 PolarHBondContact O-OG 2.95Å; D101-S104 PolarHBondContact OD1-N 2.9Å; D101-S104 PolarHBondContact OD1-OG 2.89Å; S104-F108 VanDerWaalsContact O-CB 3.24Å; S104-F108 WeakPolarHBondContact O-CB 3.44Å; S104-F108 PolarHBondContact O-N 3.48Å
105L95.2Very high94.2Very high12 Ų1266 Ų666%0.06332%0.32CS..Hα-helixtrans-64.2-45.7171.6-73.3173.4000112.7V43 Q44 A47 W100 D101 K103 F108 N109V43-L105 HydrophobicContact CG1-CD1 3.74Å; V43-L105 HydrophobicContact CG2-CD1 4.38Å; V43-L105 HydrophobicContact CG2-CD2 3.94Å; Q44-L105 HydrophobicContact CG-CD1 4.17Å; A47-L105 HydrophobicContact CB-CD2 3.63Å; W100-L105 HydrophobicContact CD2-CD2 4.28Å; W100-L105 HydrophobicContact CE3-CD2 3.56Å; W100-L105 HydrophobicContact CE3-CG 4.14Å; W100-L105 HydrophobicContact CZ3-CD2 4.08Å; D101-L105 WeakPolarHBondContact O-CB 3.4Å; D101-L105 WeakPolarHBondContact O-CG 3.4Å; D101-L105 PolarHBondContact O-N 3.15Å; K103-L105 VanDerWaalsContact C-N 3.31Å; K103-L105 PolarHBondContact O-N 3.19Å; L105-F108 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-N 3.4Å
106N94.1Very high94.3Very high81 Ų8167.6 Ų67.643%0.43333%0.326SS..Hα-helixtrans-63.6-44.7177.4-74.1-24.8000111.6E102 K103 F108 N109 E110E102-N106 WeakPolarHBondContact O-CB 3.43Å; E102-N106 VanDerWaalsContact O-CG 3.25Å; E102-N106 PolarHBondContact O-N 3.38Å; E102-N106 PolarHBondContact O-ND2 2.91Å; K103-N106 PolarHBondContact O-N 2.85Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.33Å; N106-N109 WeakPolarHBondContact O-CB 3.43Å; N106-N109 PolarHBondContact O-N 2.86Å; N106-E110 WeakPolarHBondContact O-CG 3.44Å; N106-E110 PolarHBondContact O-N 2.73Å
107Q95.3Very high94.7Very high84 Ų8469.3 Ų69.339%0.39334%0.343SS..Hα-helixtrans-60.8-41.5174.8-72.4179-21.700112F95 K103 E110 I111F95-Q107 HydrophobicContact CE1-CB 4.41Å; F95-Q107 HydrophobicContact CZ-CB 4.37Å; K103-Q107 WeakPolarHBondContact O-CG 3.28Å; K103-Q107 PolarHBondContact O-N 3.22Å; Q107-E110 PolarHBondContact O-N 3.4Å; Q107-I111 WeakPolarHBondContact O-CG1 3.32Å; Q107-I111 PolarHBondContact O-N 3.25Å
108F96.1Very high95.2Very high0 Ų062.5 Ų62.50%031%0.312CS..Hα-helixtrans-62.3-45.2176.9-172.3-111000111.4A47 L50 A51 L92 F95 W100 S104 L105 N106 E110 I111 L112A47-F108 HydrophobicContact CB-CD1 3.86Å; A47-F108 HydrophobicContact CB-CE1 3.94Å; L50-F108 HydrophobicContact CB-CE1 4.08Å; L50-F108 HydrophobicContact CB-CZ 3.87Å; A51-F108 HydrophobicContact CB-CE2 4.1Å; A51-F108 HydrophobicContact CB-CZ 4.21Å; L92-F108 HydrophobicContact CD2-CE2 3.99Å; F95-F108 HydrophobicContact CB-CD2 4.24Å; F95-F108 HydrophobicContact CB-CE2 4.36Å; F95-F108 HydrophobicContact CD1-CB 4.12Å; F95-F108 AromaticContact CD1-CD2 3.69Å; F95-F108 HydrophobicContact CD1-CD2 3.69Å; F95-F108 HydrophobicContact CD1-CG 4.33Å; F95-F108 AromaticContact CD2-CD2 3.88Å; F95-F108 HydrophobicContact CD2-CD2 3.88Å; F95-F108 HydrophobicContact CD2-CE2 4.36Å; F95-F108 HydrophobicContact CE1-CB 3.75Å; F95-F108 AromaticContact CE1-CD2 3.95Å; F95-F108 HydrophobicContact CE1-CD2 3.95Å; F95-F108 HydrophobicContact CE1-CG 4.35Å; F95-F108 HydrophobicContact CE2-CD2 4.12Å; F95-F108 AromaticContact CG-CD2 3.66Å; F95-F108 HydrophobicContact CG-CD2 3.66Å; F95-F108 HydrophobicContact CG-CE2 4.2Å; F95-F108 HydrophobicContact CZ-CB 4.21Å; F95-F108 HydrophobicContact CZ-CD2 4.15Å; W100-F108 HydrophobicContact CH2-CB 4.4Å; W100-F108 HydrophobicContact CH2-CD1 4.17Å; W100-F108 HydrophobicContact CH2-CD2 4Å; W100-F108 HydrophobicContact CH2-CE1 4.43Å; W100-F108 HydrophobicContact CH2-CE2 4.28Å; W100-F108 AromaticContact CH2-CG 3.94Å; W100-F108 HydrophobicContact CH2-CG 3.94Å; W100-F108 HydrophobicContact CH2-CZ 4.48Å; W100-F108 HydrophobicContact CZ3-CB 3.92Å; W100-F108 HydrophobicContact CZ3-CD1 4.27Å; W100-F108 HydrophobicContact CZ3-CD2 4.36Å; W100-F108 AromaticContact CZ3-CG 3.94Å; W100-F108 HydrophobicContact CZ3-CG 3.94Å; S104-F108 VanDerWaalsContact O-CB 3.24Å; S104-F108 WeakPolarHBondContact O-CB 3.44Å; S104-F108 PolarHBondContact O-N 3.48Å; L105-F108 PolarHBondContact O-N 2.9Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.33Å; F108-E110 PolarHBondContact O-N 3.49Å; F108-I111 PolarHBondContact O-N 3.13Å; F108-L112 HydrophobicContact CD1-CD1 3.99Å; F108-L112 HydrophobicContact CD1-CG 4.12Å; F108-L112 HydrophobicContact CE1-CD1 3.51Å; F108-L112 HydrophobicContact CE1-CD2 4.16Å; F108-L112 HydrophobicContact CE1-CG 3.89Å; F108-L112 HydrophobicContact CE2-CD2 4.08Å; F108-L112 HydrophobicContact CE2-CG 4.48Å; F108-L112 HydrophobicContact CZ-CD1 4Å; F108-L112 HydrophobicContact CZ-CD2 3.82Å; F108-L112 HydrophobicContact CZ-CG 4.08Å; F108-L112 WeakPolarHBondContact O-CG 3.31Å; F108-L112 PolarHBondContact O-N 3.3Å
109N95.2Very high95.4Very high18 Ų1860.4 Ų60.410%0.09630%0.302CS..Hα-helixtrans-58-44.2175.3-83.2-25.8000112.8L105 N106 L112 A113 H168 F172L105-N109 PolarHBondContact O-N 3.4Å; N106-N109 WeakPolarHBondContact O-CB 3.43Å; N106-N109 PolarHBondContact O-N 2.86Å; N109-L112 PolarHBondContact O-N 2.85Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 3.26Å; N109-H168 PolarHBondContact OD1-CD2 2.68Å; N109-H168 PolarHBondContact OD1-NE2 3.27Å; N109-F172 PolarHBondContact ND2-O 3.48Å
110E95.1Very high95.4Very high138 Ų13855.4 Ų55.465%0.64528%0.283SS*.Hα-helixtrans-61.6-44.1176.3-72.3174.2-179.900111.8N106 Q107 F108 A113 S114N106-E110 WeakPolarHBondContact O-CG 3.44Å; N106-E110 PolarHBondContact O-N 2.73Å; Q107-E110 PolarHBondContact O-N 3.4Å; F108-E110 PolarHBondContact O-N 3.49Å; E110-A113 PolarHBondContact O-N 2.99Å; E110-S114 WeakPolarHBondContact O-CB 3.39Å; E110-S114 PolarHBondContact O-N 2.99Å
111I96.5Very high95.4Very high44 Ų4455.9 Ų55.923%0.22629%0.293CS..Hα-helixtrans-64-44.4176-68.4-65.6000111E91 F95 Q107 F108 A113 S114 I115E91-I111 HydrophobicContact CB-CG2 4.07Å; F95-I111 HydrophobicContact CE2-CB 4.41Å; F95-I111 HydrophobicContact CE2-CG1 4.11Å; F95-I111 HydrophobicContact CE2-CG2 4.43Å; F95-I111 HydrophobicContact CZ-CG1 4.18Å; Q107-I111 WeakPolarHBondContact O-CG1 3.32Å; Q107-I111 PolarHBondContact O-N 3.25Å; F108-I111 PolarHBondContact O-N 3.13Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.92Å; I111-S114 WeakPolarHBondContact O-CB 3.36Å; I111-S114 PolarHBondContact O-N 3.19Å; I111-I115 HydrophobicContact CG2-CD1 3.7Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CB 3.3Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 3.06Å
112L96.8Very high95.4Very high0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-61.4-41.1176.7-67.7-160.9000112.1L50 L54 L92 F108 N109 I115 R116 L165 H168 L169L50-L112 HydrophobicContact CD1-CD1 4.09Å; L54-L112 HydrophobicContact CD1-CD2 3.66Å; L92-L112 HydrophobicContact CD2-CD2 3.76Å; F108-L112 HydrophobicContact CD1-CD1 3.99Å; F108-L112 HydrophobicContact CD1-CG 4.12Å; F108-L112 HydrophobicContact CE1-CD1 3.51Å; F108-L112 HydrophobicContact CE1-CD2 4.16Å; F108-L112 HydrophobicContact CE1-CG 3.89Å; F108-L112 HydrophobicContact CE2-CD2 4.08Å; F108-L112 HydrophobicContact CE2-CG 4.48Å; F108-L112 HydrophobicContact CZ-CD1 4Å; F108-L112 HydrophobicContact CZ-CD2 3.82Å; F108-L112 HydrophobicContact CZ-CG 4.08Å; F108-L112 WeakPolarHBondContact O-CG 3.31Å; F108-L112 PolarHBondContact O-N 3.3Å; N109-L112 PolarHBondContact O-N 2.85Å; L112-I115 PolarHBondContact O-N 3.19Å; L112-R116 WeakPolarHBondContact O-CB 3.45Å; L112-R116 PolarHBondContact O-N 3.19Å; L112-L165 HydrophobicContact CB-CD2 3.98Å; L112-L165 HydrophobicContact CD1-CD2 4.11Å; L112-L165 HydrophobicContact CD2-CD2 3.67Å; L112-L165 HydrophobicContact CG-CD2 4.11Å; L112-H168 HydrophobicContact CD1-CB 4.29Å; L112-L169 HydrophobicContact CB-CD1 4.5Å; L112-L169 HydrophobicContact CB-CD2 4.11Å; L112-L169 HydrophobicContact CB-CG 4.43Å
113A95.6Very high95.4Very high27 Ų2744.9 Ų44.922%0.22324%0.24CC..Hα-helixtrans-64.4-42.6175.500000111.8N109 E110 I111 R116 S117 L169N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 3.26Å; E110-A113 PolarHBondContact O-N 2.99Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 2.92Å; A113-R116 PolarHBondContact O-N 3.43Å; A113-S117 WeakPolarHBondContact O-CB 3.29Å; A113-S117 PolarHBondContact O-N 2.97Å; A113-L169 HydrophobicContact CB-CD1 4.35Å; A113-L169 HydrophobicContact CB-CD2 4.26Å
114S96.5Very high95.3Very high52 Ų5242.5 Ų42.536%0.36423%0.23SC..Hα-helixtrans-61.5-46.3174.8-177.20000112.1E110 I111 R116 S117 R118E110-S114 WeakPolarHBondContact O-CB 3.39Å; E110-S114 PolarHBondContact O-N 2.99Å; I111-S114 WeakPolarHBondContact O-CB 3.36Å; I111-S114 PolarHBondContact O-N 3.19Å; S114-R116 PolarHBondContact O-N 3.43Å; S114-S117 PolarHBondContact O-N 2.82Å; S114-R118 WeakPolarHBondContact O-CB 3.42Å; S114-R118 PolarHBondContact O-N 3.21Å; S114-R118 PolarHBondContact OG-NH2 3.26Å
115I97.3Very high95.2Very high3 Ų343.3 Ų43.32%0.01524%0.235CC..Hα-helixtrans-59.9-46.9175.6-70169.9000110.4L92 I111 L112 S117 R118 H119 L165L92-I115 HydrophobicContact CD1-CD1 4Å; L92-I115 HydrophobicContact CD2-CD1 3.89Å; L92-I115 HydrophobicContact CG-CD1 3.7Å; I111-I115 HydrophobicContact CG2-CD1 3.7Å; I111-I115 HydrophobicContact CG2-CG1 4.28Å; I111-I115 WeakPolarHBondContact O-CB 3.3Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 3.06Å; L112-I115 PolarHBondContact O-N 3.19Å; I115-S117 VanDerWaalsContact C-N 3.32Å; I115-S117 PolarHBondContact O-N 3.3Å; I115-R118 PolarHBondContact O-N 3.36Å; I115-H119 PolarHBondContact O-CD2 3.46Å; I115-H119 PolarHBondContact O-N 2.91Å; I115-H119 VanDerWaalsContact O-N 3.09Å; I115-L165 HydrophobicContact CG2-CD1 4.04Å
116R95.4Very high95.1Very high48 Ų4842.8 Ų42.818%0.18123%0.233CC..Hα-helixtrans-60.1-43.2178.8-169.4-176.564.8172.71.4111.5L112 A113 S114 H119 T120 L165 L169 E175L112-R116 WeakPolarHBondContact O-CB 3.45Å; L112-R116 PolarHBondContact O-N 3.19Å; A113-R116 PolarHBondContact O-N 3.43Å; S114-R116 PolarHBondContact O-N 3.43Å; R116-H119 PolarHBondContact O-N 3.39Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 2.97Å; R116-L165 HydrophobicContact CB-CD1 4.17Å; R116-L169 HydrophobicContact CB-CD1 4.48Å; R116-E175 IonicContact CZ-OE1 3.37Å; R116-E175 IonicContact CZ-OE2 2.74Å; R116-E175 IonicContact NH1-OE1 3.61Å; R116-E175 IonicContact NH1-OE2 2.72Å; R116-E175 PolarHBondContact NH1-OE2 3.43Å; R116-E175 IonicContact NH2-OE1 3.55Å; R116-E175 PolarHBondContact NH2-OE1 3.28Å; R116-E175 IonicContact NH2-OE2 2.72Å; R116-E175 PolarHBondContact NH2-OE2 2.99Å; R116-E175 VanDerWaalsContact NH2-OE2 3.11Å
117S95.8Very high95Very high83 Ų8339 Ų3958%0.5821%0.213SC*.Hα-helixtrans-63.1-47.8177.2-1770000111.9A113 S114 I115 H119 T120A113-S117 WeakPolarHBondContact O-CB 3.29Å; A113-S117 PolarHBondContact O-N 2.97Å; S114-S117 PolarHBondContact O-N 2.82Å; I115-S117 VanDerWaalsContact C-N 3.32Å; I115-S117 PolarHBondContact O-N 3.3Å; S117-H119 PolarHBondContact O-N 2.63Å; S117-T120 VanDerWaalsContact O-CB 3.27Å; S117-T120 WeakPolarHBondContact O-CB 3.39Å; S117-T120 PolarHBondContact O-N 2.75Å; S117-T120 VanDerWaalsContact O-N 3.11Å; S117-T120 PolarHBondContact O-OG1 3.34Å
118R97.1Very high94.8Very high35 Ų3538.6 Ų38.613%0.13221%0.211CC..Hα-helixtrans-56.9-33.8177.4-177.3-173.7-50.11338.7113.1W84 S88 E91 S114 I115W84-R118 HydrophobicContact CB-CG 4.03Å; W84-R118 HydrophobicContact CD2-CG 4.43Å; W84-R118 HydrophobicContact CG-CG 3.83Å; S88-R118 PolarHBondContact OG-NH1 3.34Å; E91-R118 VanDerWaalsContact CD-NH2 3.26Å; E91-R118 IonicContact OE1-CZ 2.79Å; E91-R118 IonicContact OE1-NH1 2.74Å; E91-R118 IonicContact OE1-NH2 2.68Å; E91-R118 PolarHBondContact OE1-NH2 3.01Å; E91-R118 IonicContact OE2-CZ 2.91Å; E91-R118 IonicContact OE2-NH1 3.17Å; E91-R118 PolarHBondContact OE2-NH1 3.28Å; E91-R118 IonicContact OE2-NH2 3.77Å; E91-R118 PolarHBondContact OE2-NH2 2.9Å; S114-R118 WeakPolarHBondContact O-CB 3.42Å; S114-R118 PolarHBondContact O-N 3.21Å; S114-R118 PolarHBondContact OG-NH2 3.26Å; I115-R118 PolarHBondContact O-N 3.36Å
119H96.6Very high94.6Very high13 Ų1338.6 Ų38.66%0.0621%0.211CC..THydrogen-bonded Turntrans-91.56.3-176.5-74.7-120.2000114.1Y85 S88 I115 R116 S117 T121 V122 R158Y85-H119 AromaticContact CD2-CE1 3.4Å; Y85-H119 WeakPolarHBondContact CD2-CE1 3.36Å; Y85-H119 AromaticContact CD2-ND1 3.92Å; Y85-H119 AromaticContact CE2-CE1 3.4Å; Y85-H119 VanDerWaalsContact CE2-CE1 3.4Å; Y85-H119 WeakPolarHBondContact CE2-CE1 3.18Å; Y85-H119 AromaticContact CE2-ND1 3.43Å; Y85-H119 WeakPolarHBondContact CE2-ND1 3.37Å; Y85-H119 AromaticContact CG-CE1 3.82Å; Y85-H119 AromaticContact CZ-CE1 3.83Å; Y85-H119 AromaticContact CZ-ND1 3.73Å; S88-H119 PolarHBondContact OG-NE2 3.43Å; I115-H119 PolarHBondContact O-CD2 3.46Å; I115-H119 PolarHBondContact O-N 2.91Å; I115-H119 VanDerWaalsContact O-N 3.09Å; R116-H119 PolarHBondContact O-N 3.39Å; S117-H119 PolarHBondContact O-N 2.63Å; H119-T121 PolarHBondContact O-N 2.6Å; H119-V122 HydrophobicContact CB-CG2 3.97Å; H119-V122 WeakPolarHBondContact O-CB 3.28Å; H119-V122 WeakPolarHBondContact O-CG2 3.46Å; H119-V122 PolarHBondContact O-N 2.8Å; H119-R158 PolarHBondContact O-NE 3.28Å; H119-R158 PolarHBondContact O-NH2 2.96Å
120T94.1Very high94.5Very high73 Ų7337.9 Ų37.945%0.44821%0.207SC..THydrogen-bonded Turntrans-58.7-48.9-176.8-59.10000111.8R116 S117 V122 R158R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 2.97Å; S117-T120 VanDerWaalsContact O-CB 3.27Å; S117-T120 WeakPolarHBondContact O-CB 3.39Å; S117-T120 PolarHBondContact O-N 2.75Å; S117-T120 VanDerWaalsContact O-N 3.11Å; S117-T120 PolarHBondContact O-OG1 3.34Å; T120-V122 PolarHBondContact O-N 2.67Å; T120-R158 PolarHBondContact O-NH2 3.26Å
121T93.9Very high94.1Very high68 Ų6832.6 Ų32.642%0.41718%0.183SC..THydrogen-bonded Turntrans-95.817.6-17357.10000114.2H119 V123 E124 T125H119-T121 PolarHBondContact O-N 2.6Å; T121-V123 VanDerWaalsContact C-N 3.31Å; T121-V123 PolarHBondContact O-N 2.87Å; T121-E124 WeakPolarHBondContact CA-OE2 3.46Å; T121-T125 VanDerWaalsContact O-CB 3.29Å; T121-T125 WeakPolarHBondContact O-CB 3.29Å; T121-T125 PolarHBondContact O-N 2.85Å; T121-T125 PolarHBondContact O-OG1 3.05Å
122V94.7Very high93.9Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-63-35.5-175.2162.40000112.5V81 W84 Y85 H119 T120 M126 F154V81-V122 HydrophobicContact CG1-CG1 4.15Å; W84-V122 HydrophobicContact CE3-CG2 3.77Å; W84-V122 HydrophobicContact CZ3-CG2 3.99Å; Y85-V122 HydrophobicContact CE2-CG1 4.13Å; Y85-V122 HydrophobicContact CE2-CG2 4.22Å; H119-V122 HydrophobicContact CB-CG2 3.97Å; H119-V122 WeakPolarHBondContact O-CB 3.28Å; H119-V122 WeakPolarHBondContact O-CG2 3.46Å; H119-V122 PolarHBondContact O-N 2.8Å; T120-V122 PolarHBondContact O-N 2.67Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 2.96Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.43Å; V122-F154 VanDerWaalsContact CG1-CZ 3.43Å
123V92.6Very high93.6Very high18 Ų1832.3 Ų32.311%0.10918%0.18CC..Hα-helixtrans-68-50.1-178.11740000110T121 M126 A127 Y155 Y336 L340T121-V123 VanDerWaalsContact C-N 3.31Å; T121-V123 PolarHBondContact O-N 2.87Å; V123-M126 PolarHBondContact O-N 3.16Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.46Å; V123-A127 PolarHBondContact O-N 3.24Å; V123-Y155 HydrophobicContact CB-CE1 4.2Å; V123-Y155 HydrophobicContact CG1-CE1 4.3Å; V123-Y155 HydrophobicContact CG2-CD1 4Å; V123-Y155 HydrophobicContact CG2-CE1 3.8Å; V123-Y155 PolarHBondContact O-OH 2.95Å; V123-Y336 HydrophobicContact CG1-CD1 4.18Å; V123-L340 HydrophobicContact CG1-CD1 3.77Å
124E91.9Very high93.1Very high91 Ų9133.5 Ų33.543%0.42518%0.181SC..Hα-helixtrans-63.1-45.3179.8-58.779.2-175.500110.5T121 A127 Q128T121-E124 WeakPolarHBondContact CA-OE2 3.46Å; E124-A127 PolarHBondContact O-N 2.73Å; E124-Q128 WeakPolarHBondContact O-CB 3.22Å; E124-Q128 PolarHBondContact O-N 2.97Å
125T93.4Very high92.6Very high21 Ų2134.3 Ų34.313%0.12920%0.197CC..Hα-helixtrans-65.2-44.1179.3-51.50000111.1S77 L80 V81 W84 T121 Q128 G129S77-T125 VanDerWaalsContact CB-O 3.24Å; S77-T125 WeakPolarHBondContact CB-O 3.16Å; L80-T125 HydrophobicContact CD2-CG2 4.1Å; V81-T125 HydrophobicContact CG2-CG2 3.7Å; W84-T125 HydrophobicContact CH2-CG2 4.18Å; W84-T125 HydrophobicContact CZ3-CG2 4.19Å; T121-T125 VanDerWaalsContact O-CB 3.29Å; T121-T125 WeakPolarHBondContact O-CB 3.29Å; T121-T125 PolarHBondContact O-N 2.85Å; T121-T125 PolarHBondContact O-OG1 3.05Å; T125-Q128 WeakPolarHBondContact O-CB 3.34Å; T125-Q128 PolarHBondContact O-N 3.47Å; T125-G129 PolarHBondContact O-N 2.69Å
126M93.8Very high92Very high2 Ų239.6 Ų39.61%0.0123%0.226CC..Hα-helixtrans-69-37.4178.2-178.160.768.900111.7A78 V81 V122 V123 Q128 G129 V130 F150 L151 F154 Y155A78-M126 HydrophobicContact CB-SD 4.36Å; V81-M126 HydrophobicContact CB-CE 3.81Å; V81-M126 HydrophobicContact CG1-CE 3.61Å; V81-M126 HydrophobicContact CG2-CB 4.35Å; V81-M126 HydrophobicContact CG2-CE 4.19Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 2.96Å; V123-M126 PolarHBondContact O-N 3.16Å; M126-Q128 VanDerWaalsContact C-N 3.33Å; M126-Q128 PolarHBondContact O-N 3.36Å; M126-G129 PolarHBondContact O-N 2.96Å; M126-G129 VanDerWaalsContact O-N 3.13Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 2.91Å; M126-F150 HydrophobicContact CE-CE1 4.31Å; M126-F150 HydrophobicContact SD-CE1 4.3Å; M126-L151 HydrophobicContact CG-CD2 3.7Å; M126-L151 HydrophobicContact SD-CD2 4.44Å; M126-F154 HydrophobicContact CB-CE1 4.21Å; M126-F154 HydrophobicContact CE-CE1 4.27Å; M126-F154 HydrophobicContact CE-CZ 4.15Å; M126-F154 HydrophobicContact CG-CD1 4.37Å; M126-F154 HydrophobicContact CG-CE1 4.1Å; M126-Y155 WeakPolarHBondContact CB-OH 3.45Å; M126-Y155 WeakPolarHBondContact CG-OH 3.48Å
127A91.9Very high91.4Very high2 Ų241.8 Ų41.82%0.01724%0.235CC..Hα-helixtrans-58.6-45.2171.700000111.6V123 E124 G129 V130 M131 Y334 Y336V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.46Å; V123-A127 PolarHBondContact O-N 3.24Å; E124-A127 PolarHBondContact O-N 2.73Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.47Å; A127-V130 PolarHBondContact O-N 3.11Å; A127-V130 VanDerWaalsContact O-N 3.15Å; A127-M131 WeakPolarHBondContact O-CG 3.5Å; A127-M131 PolarHBondContact O-N 3.19Å; A127-Y334 HydrophobicContact CB-CD1 4.28Å; A127-Y334 HydrophobicContact CB-CG 4.24Å; A127-Y336 WeakPolarHBondContact CA-OH 3.36Å; A127-Y336 HydrophobicContact CB-CD1 4.33Å; A127-Y336 HydrophobicContact CB-CD2 4.28Å; A127-Y336 HydrophobicContact CB-CE1 3.84Å; A127-Y336 HydrophobicContact CB-CE2 3.78Å
128Q90.7Very high90.5Very high75 Ų7547.2 Ų47.235%0.3525%0.248SC..Hα-helixtrans-59.1-40.6173.2-176.159.817.100111.9E124 T125 M126 V130 M131 E132E124-Q128 WeakPolarHBondContact O-CB 3.22Å; E124-Q128 PolarHBondContact O-N 2.97Å; T125-Q128 WeakPolarHBondContact O-CB 3.34Å; T125-Q128 PolarHBondContact O-N 3.47Å; M126-Q128 VanDerWaalsContact C-N 3.33Å; M126-Q128 PolarHBondContact O-N 3.36Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; Q128-V130 PolarHBondContact O-N 2.94Å; Q128-M131 WeakPolarHBondContact O-CB 3.32Å; Q128-M131 PolarHBondContact O-N 3.36Å; Q128-M131 VanDerWaalsContact O-N 3.15Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.4Å; Q128-E132 VanDerWaalsContact O-CG 3.29Å; Q128-E132 WeakPolarHBondContact O-CG 3.18Å; Q128-E132 PolarHBondContact O-N 3.47Å
129G92.3Very high89.5Confident0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-61.9-35.7175.600000113.8L72 T75 T125 M126 A127 M133L72-G129 VanDerWaalsContact CD1-O 3.31Å; L72-G129 WeakPolarHBondContact CD1-O 3.31Å; T75-G129 WeakPolarHBondContact CG2-O 3.4Å; T75-G129 WeakPolarHBondContact OG1-CA 3.39Å; T75-G129 PolarHBondContact OG1-O 3.47Å; T125-G129 PolarHBondContact O-N 2.69Å; M126-G129 PolarHBondContact O-N 2.96Å; M126-G129 VanDerWaalsContact O-N 3.13Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.47Å; G129-M133 PolarHBondContact O-N 3.4Å; G129-M133 VanDerWaalsContact O-N 3.13Å
130V91.8Very high88.7Confident2 Ų250.9 Ų50.91%0.01227%0.272CS..Hα-helixtrans-70.1-39.8173.8175.90000110.9L72 M126 A127 Q128 M133 Q134 V147 L151 T300L72-V130 HydrophobicContact CD1-CG2 4.09Å; L72-V130 HydrophobicContact CD2-CG2 4.41Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 2.91Å; A127-V130 PolarHBondContact O-N 3.11Å; A127-V130 VanDerWaalsContact O-N 3.15Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; Q128-V130 PolarHBondContact O-N 2.94Å; V130-M133 HydrophobicContact CG1-CE 4.48Å; V130-M133 WeakPolarHBondContact O-CB 3.43Å; V130-M133 PolarHBondContact O-N 2.94Å; V130-Q134 WeakPolarHBondContact O-CG 3.27Å; V130-Q134 PolarHBondContact O-N 2.98Å; V130-V147 HydrophobicContact CG1-CG1 4.34Å; V130-V147 HydrophobicContact CG2-CG1 4.19Å; V130-L151 HydrophobicContact CG2-CD1 4Å; V130-L151 HydrophobicContact CG2-CD2 4.33Å; V130-T300 HydrophobicContact CG1-CG2 3.93Å
131M88.5Confident88.2Confident28 Ų2853.4 Ų53.414%0.13828%0.282CS..Hα-helixtrans-64.8-41.8175.6-68.2-171.2168.600112.3A127 Q128 M133 Q134 G135 R305 Y334A127-M131 WeakPolarHBondContact O-CG 3.5Å; A127-M131 PolarHBondContact O-N 3.19Å; Q128-M131 WeakPolarHBondContact O-CB 3.32Å; Q128-M131 PolarHBondContact O-N 3.36Å; Q128-M131 VanDerWaalsContact O-N 3.15Å; M131-M133 VanDerWaalsContact C-N 3.29Å; M131-M133 PolarHBondContact O-N 3.49Å; M131-Q134 PolarHBondContact O-N 3.37Å; M131-G135 PolarHBondContact O-N 3.47Å; M131-R305 PolarHBondContact SD-NH2 3.32Å; M131-Y334 HydrophobicContact CE-CD1 3.45Å; M131-Y334 VanDerWaalsContact CE-CD1 3.45Å; M131-Y334 HydrophobicContact CE-CE1 4.31Å; M131-Y334 HydrophobicContact CE-CG 4.3Å; M131-Y334 HydrophobicContact SD-CD1 3.74Å; M131-Y334 HydrophobicContact SD-CE1 4.05Å
132E91Very high87.7Confident38 Ų3851.3 Ų51.318%0.17827%0.269CS..Hα-helixtrans-58.2-41.2172.7-73.6164.5-173.900111.2T75 P76 S77 Q128 N136T75-E132 WeakPolarHBondContact CB-OE2 3.4Å; T75-E132 HydrophobicContact CG2-CB 3.89Å; T75-E132 PolarHBondContact OG1-OE2 2.98Å; P76-E132 WeakPolarHBondContact CD-OE2 3.4Å; S77-E132 WeakPolarHBondContact CB-OE2 3.5Å; S77-E132 PolarHBondContact N-OE2 2.86Å; S77-E132 PolarHBondContact OG-OE1 3.48Å; S77-E132 PolarHBondContact OG-OE2 2.9Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.4Å; Q128-E132 VanDerWaalsContact O-CG 3.29Å; Q128-E132 WeakPolarHBondContact O-CG 3.18Å; Q128-E132 PolarHBondContact O-N 3.47Å; E132-N136 WeakPolarHBondContact O-CB 3.44Å; E132-N136 VanDerWaalsContact O-CG 3.31Å; E132-N136 PolarHBondContact O-N 2.91Å; E132-N136 PolarHBondContact O-ND2 3.25Å
133M90.5Very high87.3Confident0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-64.6-45.9175.6-177.3-163.56100111.4R71 L72 T75 G129 V130 M131 G135 N136 Y137 T139 T143 V147R71-M133 HydrophobicContact CB-CG 4.07Å; R71-M133 HydrophobicContact CB-SD 4.44Å; L72-M133 HydrophobicContact CB-CG 4.46Å; L72-M133 HydrophobicContact CB-SD 3.74Å; L72-M133 HydrophobicContact CD1-CB 4.2Å; L72-M133 HydrophobicContact CD1-SD 4.5Å; T75-M133 HydrophobicContact CG2-CB 4.12Å; G129-M133 PolarHBondContact O-N 3.4Å; G129-M133 VanDerWaalsContact O-N 3.13Å; V130-M133 HydrophobicContact CG1-CE 4.48Å; V130-M133 WeakPolarHBondContact O-CB 3.43Å; V130-M133 PolarHBondContact O-N 2.94Å; M131-M133 VanDerWaalsContact C-N 3.29Å; M131-M133 PolarHBondContact O-N 3.49Å; M133-G135 VanDerWaalsContact C-N 3.35Å; M133-G135 PolarHBondContact O-N 3.11Å; M133-N136 PolarHBondContact O-N 3.06Å; M133-Y137 HydrophobicContact CG-CD2 4.32Å; M133-Y137 WeakPolarHBondContact O-CD2 3.29Å; M133-Y137 PolarHBondContact O-N 3.49Å; M133-T139 HydrophobicContact CE-CG2 3.85Å; M133-T143 HydrophobicContact SD-CG2 4.22Å; M133-V147 HydrophobicContact CE-CG2 4.03Å; M133-V147 HydrophobicContact SD-CG2 4.29Å
134Q86.4Confident87Confident52 Ų5252.9 Ų52.924%0.24328%0.277CS..Hα-helixtrans-65.5-35179.3-72-176.4-39.300113.1V130 M131 T139 T300V130-Q134 WeakPolarHBondContact O-CG 3.27Å; V130-Q134 PolarHBondContact O-N 2.98Å; M131-Q134 PolarHBondContact O-N 3.37Å; Q134-T139 HydrophobicContact CG-CG2 4.15Å; Q134-T300 VanDerWaalsContact NE2-CG2 3.3Å
135G84.8Confident86.9Confident68 Ų6852.9 Ų52.970%0.70128%0.28SS*.Hα-helixtrans-70.8-33.6177.600000113.2M131 M133M131-G135 PolarHBondContact O-N 3.47Å; M133-G135 VanDerWaalsContact C-N 3.35Å; M133-G135 PolarHBondContact O-N 3.11Å
136N85.5Confident86.7Confident115 Ų11553.2 Ų53.262%0.61528%0.28SS*.Hα-helixtrans-92.6-24.1-175.2-69.7-40000114E132 M133E132-N136 WeakPolarHBondContact O-CB 3.44Å; E132-N136 VanDerWaalsContact O-CG 3.31Å; E132-N136 PolarHBondContact O-N 2.91Å; E132-N136 PolarHBondContact O-ND2 3.25Å; M133-N136 PolarHBondContact O-N 3.06Å
137Y82.9Confident86.6Confident94 Ų9453.1 Ų53.137%0.36928%0.28SS..SBendtrans-135.5141.4-172.4-55.3-81.5000111.8R71 M133 T139R71-Y137 HydrophobicContact CB-CD2 3.86Å; R71-Y137 HydrophobicContact CB-CE2 3.99Å; R71-Y137 HydrophobicContact CB-CG 4.24Å; R71-Y137 HydrophobicContact CG-CD1 4.19Å; R71-Y137 HydrophobicContact CG-CD2 4.25Å; R71-Y137 HydrophobicContact CG-CE1 4.31Å; R71-Y137 HydrophobicContact CG-CE2 4.37Å; R71-Y137 HydrophobicContact CG-CG 4.16Å; M133-Y137 HydrophobicContact CG-CD2 4.32Å; M133-Y137 WeakPolarHBondContact O-CD2 3.29Å; M133-Y137 PolarHBondContact O-N 3.49Å; Y137-T139 PolarHBondContact O-N 2.9Å
138K77.1Confident86.7Confident196 Ų19654.2 Ų54.285%0.85228%0.284SS*.PPolyproline II helixtrans-63.5118.6164.1-68.7-174.2178.9-177.90108.6R71R71-K138 PolarHBondContact NH1-O 3.27Å; R71-K138 VanDerWaalsContact NH1-O 3.14Å
139T74.9Confident86.8Confident48 Ų4853.8 Ų53.829%0.29428%0.28SS..PPolyproline II helixtrans-86.6126.417550.50000109.7M133 Q134 Y137 N144M133-T139 HydrophobicContact CE-CG2 3.85Å; Q134-T139 HydrophobicContact CG-CG2 4.15Å; Y137-T139 PolarHBondContact O-N 2.9Å; T139-N144 WeakPolarHBondContact CB-OD1 3.44Å
140D81.1Confident86.9Confident77 Ų7753.8 Ų53.841%0.41228%0.28SS..PPolyproline II helixtrans-91.4168.117060.626.9000110.6V142 T143 N144D140-V142 PolarHBondContact O-N 3Å; D140-V142 PolarHBondContact OD1-N 2.88Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 WeakPolarHBondContact OD1-CB 3.3Å; D140-T143 PolarHBondContact OD1-N 3.35Å; D140-T143 PolarHBondContact OD1-OG1 3.37Å; D140-N144 PolarHBondContact O-N 3.15Å; D140-N144 PolarHBondContact O-ND2 3.38Å
141I82.6Confident87.1Confident127 Ų12753.7 Ų53.765%0.65128%0.28SS*.Hα-helixtrans-57.9-37.5-179.4-63.2169.8000110.8N144 N145I141-N144 PolarHBondContact O-N 3.28Å; I141-N145 WeakPolarHBondContact O-CB 3.43Å; I141-N145 PolarHBondContact O-N 3.03Å; I141-N145 PolarHBondContact O-OD1 3.42Å
142V84.5Confident87.5Confident23 Ų2354.8 Ų54.814%0.13929%0.286CS..Hα-helixtrans-67-47.8-177.8-1780000111.1D140 N144 N145 Q146 A393D140-V142 PolarHBondContact O-N 3Å; D140-V142 PolarHBondContact OD1-N 2.88Å; V142-N144 VanDerWaalsContact C-N 3.32Å; V142-N144 PolarHBondContact O-N 2.97Å; V142-N145 PolarHBondContact O-N 2.94Å; V142-Q146 WeakPolarHBondContact O-CG 3.46Å; V142-Q146 PolarHBondContact O-N 2.82Å; V142-A393 HydrophobicContact CB-CB 4.33Å; V142-A393 HydrophobicContact CG1-CB 3.62Å; V142-A393 HydrophobicContact CG2-CB 4.39Å
143T86.1Confident87.8Confident13 Ų1354.9 Ų54.98%0.0829%0.285CS..Hα-helixtrans-60.7-44176.9-55.20000110.3P69 M133 D140 N145 Q146 V147P69-T143 HydrophobicContact CB-CG2 4.28Å; P69-T143 HydrophobicContact CG-CG2 4.02Å; M133-T143 HydrophobicContact SD-CG2 4.22Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 WeakPolarHBondContact OD1-CB 3.3Å; D140-T143 PolarHBondContact OD1-N 3.35Å; D140-T143 PolarHBondContact OD1-OG1 3.37Å; T143-N145 PolarHBondContact O-N 2.9Å; T143-Q146 PolarHBondContact O-N 3.23Å; T143-V147 HydrophobicContact CG2-CG2 4.4Å; T143-V147 WeakPolarHBondContact O-CB 3.34Å; T143-V147 VanDerWaalsContact O-CG2 3.28Å; T143-V147 WeakPolarHBondContact O-CG2 3.22Å; T143-V147 PolarHBondContact O-N 3.05Å
144N86.4Confident88.1Confident38 Ų3854.9 Ų54.920%0.20329%0.285CS..Hα-helixtrans-61.8-42177.5-73.8-29.3000112T139 D140 I141 V142 V147 Q148T139-N144 WeakPolarHBondContact CB-OD1 3.44Å; D140-N144 PolarHBondContact O-N 3.15Å; D140-N144 PolarHBondContact O-ND2 3.38Å; I141-N144 PolarHBondContact O-N 3.28Å; V142-N144 VanDerWaalsContact C-N 3.32Å; V142-N144 PolarHBondContact O-N 2.97Å; N144-V147 PolarHBondContact O-N 3.42Å; N144-Q148 WeakPolarHBondContact O-CB 3.47Å; N144-Q148 PolarHBondContact O-N 2.83Å
145N88.2Confident88.7Confident91 Ų9152.5 Ų52.549%0.48727%0.274SS..Hα-helixtrans-65.2-39.9176.5-70.6-10.5000112.2I141 V142 T143 Q148 Y149I141-N145 WeakPolarHBondContact O-CB 3.43Å; I141-N145 PolarHBondContact O-N 3.03Å; I141-N145 PolarHBondContact O-OD1 3.42Å; V142-N145 PolarHBondContact O-N 2.94Å; T143-N145 PolarHBondContact O-N 2.9Å; N145-Q148 PolarHBondContact O-N 3.18Å; N145-Y149 WeakPolarHBondContact O-CB 3.29Å; N145-Y149 PolarHBondContact O-N 2.9Å
146Q90.3Very high89.3Confident28 Ų2849.9 Ų49.913%0.13124%0.243CC..Hα-helixtrans-64.5-43.1176-72.4-179.6-2400111.8P69 V142 T143 F150 Y390P69-Q146 HydrophobicContact CG-CB 4.48Å; V142-Q146 WeakPolarHBondContact O-CG 3.46Å; V142-Q146 PolarHBondContact O-N 2.82Å; T143-Q146 PolarHBondContact O-N 3.23Å; Q146-F150 WeakPolarHBondContact O-CB 3.29Å; Q146-F150 PolarHBondContact O-N 2.94Å; Q146-Y390 PolarHBondContact NE2-O 3.22Å
147V91.8Very high89.9Confident1 Ų144.5 Ų44.51%0.00621%0.214CC..Hα-helixtrans-65.9-43.7176.6171.40000110.5L72 V130 M133 T143 N144 F150 L151L72-V147 HydrophobicContact CD2-CG1 4.34Å; L72-V147 HydrophobicContact CD2-CG2 3.98Å; V130-V147 HydrophobicContact CG1-CG1 4.34Å; V130-V147 HydrophobicContact CG2-CG1 4.19Å; M133-V147 HydrophobicContact CE-CG2 4.03Å; M133-V147 HydrophobicContact SD-CG2 4.29Å; T143-V147 HydrophobicContact CG2-CG2 4.4Å; T143-V147 WeakPolarHBondContact O-CB 3.34Å; T143-V147 VanDerWaalsContact O-CG2 3.28Å; T143-V147 WeakPolarHBondContact O-CG2 3.22Å; T143-V147 PolarHBondContact O-N 3.05Å; N144-V147 PolarHBondContact O-N 3.42Å; V147-F150 PolarHBondContact O-N 3.36Å; V147-L151 HydrophobicContact CG1-CD1 3.63Å; V147-L151 HydrophobicContact CG1-CG 4.14Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 WeakPolarHBondContact O-CG 3.38Å; V147-L151 PolarHBondContact O-N 3.2Å
148Q92.6Very high90.6Very high24 Ų2441.4 Ų41.411%0.11220%0.202CC..Hα-helixtrans-58.9-51.3175.8-175.763.334.700111.6N144 N145 F150 L151 D152 F297 Y299N144-Q148 WeakPolarHBondContact O-CB 3.47Å; N144-Q148 PolarHBondContact O-N 2.83Å; N145-Q148 PolarHBondContact O-N 3.18Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.93Å; Q148-L151 PolarHBondContact O-N 3.46Å; Q148-D152 PolarHBondContact NE2-OD2 3.32Å; Q148-D152 PolarHBondContact O-N 3.37Å; Q148-D152 VanDerWaalsContact O-N 3.08Å; Q148-F297 PolarHBondContact NE2-O 3.01Å; Q148-F297 VanDerWaalsContact NE2-O 3.09Å; Q148-Y299 VanDerWaalsContact NE2-CD2 3.35Å; Q148-Y299 VanDerWaalsContact OE1-CD2 3.22Å
149Y94.2Very high91.5Very high66 Ų6632.3 Ų32.326%0.25916%0.163SC..Hα-helixtrans-57.4-43.5177.9177.5-96.3000112N145 R153 S386 Q389 Y390N145-Y149 WeakPolarHBondContact O-CB 3.29Å; N145-Y149 PolarHBondContact O-N 2.9Å; Y149-R153 WeakPolarHBondContact O-CD 3.37Å; Y149-R153 VanDerWaalsContact O-CG 3.3Å; Y149-R153 WeakPolarHBondContact O-CG 3.33Å; Y149-R153 PolarHBondContact O-N 3.37Å; Y149-S386 WeakPolarHBondContact OH-CB 3.46Å; Y149-Q389 HydrophobicContact CD1-CB 3.77Å; Y149-Q389 HydrophobicContact CD1-CG 4.3Å; Y149-Q389 HydrophobicContact CD2-CG 4.38Å; Y149-Q389 HydrophobicContact CE1-CB 3.58Å; Y149-Q389 HydrophobicContact CE1-CG 3.79Å; Y149-Q389 HydrophobicContact CE2-CB 4.39Å; Y149-Q389 HydrophobicContact CE2-CG 3.87Å; Y149-Q389 HydrophobicContact CG-CB 4.26Å; Y149-Y390 AromaticContact CD1-CE1 4Å; Y149-Y390 HydrophobicContact CD1-CE1 4Å; Y149-Y390 HydrophobicContact CD1-CE2 4.28Å; Y149-Y390 AromaticContact CD1-CZ 3.67Å; Y149-Y390 WeakPolarHBondContact CD1-OH 3.42Å; Y149-Y390 HydrophobicContact CE1-CE2 4.03Å; Y149-Y390 AromaticContact CE1-CZ 3.84Å
150F94.8Very high92.6Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-62.8-51.6175.8168.5-101.7000112I61 E64 I65 L68 M126 Q146 V147 Q148 D152 R153 F154 Y390I61-F150 HydrophobicContact CD1-CE2 4.19Å; E64-F150 HydrophobicContact CB-CD2 4.17Å; E64-F150 HydrophobicContact CB-CE2 4.28Å; I65-F150 HydrophobicContact CB-CE2 4.43Å; I65-F150 HydrophobicContact CG1-CE2 3.61Å; I65-F150 HydrophobicContact CG1-CZ 3.58Å; L68-F150 HydrophobicContact CD1-CD1 3.8Å; L68-F150 HydrophobicContact CD1-CD2 4.03Å; L68-F150 HydrophobicContact CD1-CE1 3.63Å; L68-F150 HydrophobicContact CD1-CE2 3.86Å; L68-F150 HydrophobicContact CD1-CG 4.01Å; L68-F150 HydrophobicContact CD1-CZ 3.67Å; L68-F150 HydrophobicContact CD2-CB 3.52Å; L68-F150 HydrophobicContact CD2-CD1 3.69Å; L68-F150 HydrophobicContact CD2-CD2 3.84Å; L68-F150 HydrophobicContact CD2-CE1 4.4Å; L68-F150 HydrophobicContact CD2-CG 3.38Å; L68-F150 HydrophobicContact CG-CB 4.49Å; L68-F150 HydrophobicContact CG-CD1 4.17Å; L68-F150 HydrophobicContact CG-CD2 3.88Å; L68-F150 HydrophobicContact CG-CE1 4.43Å; L68-F150 HydrophobicContact CG-CE2 4.15Å; L68-F150 HydrophobicContact CG-CG 3.91Å; L68-F150 HydrophobicContact CG-CZ 4.43Å; M126-F150 HydrophobicContact CE-CE1 4.31Å; M126-F150 HydrophobicContact SD-CE1 4.3Å; Q146-F150 WeakPolarHBondContact O-CB 3.29Å; Q146-F150 PolarHBondContact O-N 2.94Å; V147-F150 PolarHBondContact O-N 3.36Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.93Å; F150-D152 VanDerWaalsContact C-N 3.32Å; F150-D152 PolarHBondContact O-N 3.34Å; F150-R153 PolarHBondContact O-N 3.36Å; F150-R153 VanDerWaalsContact O-N 3.12Å; F150-F154 HydrophobicContact CD1-CB 4.32Å; F150-F154 HydrophobicContact CE1-CB 3.84Å; F150-F154 HydrophobicContact CE1-CD1 4.48Å; F150-F154 HydrophobicContact CE1-CD2 4.29Å; F150-F154 AromaticContact CE1-CG 3.95Å; F150-F154 HydrophobicContact CE1-CG 3.95Å; F150-F154 HydrophobicContact CE2-CB 4.05Å; F150-F154 HydrophobicContact CE2-CD2 4.24Å; F150-F154 HydrophobicContact CE2-CG 4.43Å; F150-F154 HydrophobicContact CZ-CB 3.68Å; F150-F154 AromaticContact CZ-CD2 3.59Å; F150-F154 HydrophobicContact CZ-CD2 3.59Å; F150-F154 HydrophobicContact CZ-CE2 4.43Å; F150-F154 AromaticContact CZ-CG 3.69Å; F150-F154 HydrophobicContact CZ-CG 3.69Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.45Å; F150-F154 PolarHBondContact O-N 2.75Å; F150-Y390 WeakPolarHBondContact CA-OH 3.39Å; F150-Y390 HydrophobicContact CB-CE1 3.93Å
151L95.4Very high93.4Very high0 Ų026.8 Ų26.80%013%0.131CC..Hα-helixtrans-62.9-40.2-172.9-71.8172.4000111.5M126 V130 V147 Q148 R153 F154 Y155 Y299M126-L151 HydrophobicContact CG-CD2 3.7Å; M126-L151 HydrophobicContact SD-CD2 4.44Å; V130-L151 HydrophobicContact CG2-CD1 4Å; V130-L151 HydrophobicContact CG2-CD2 4.33Å; V147-L151 HydrophobicContact CG1-CD1 3.63Å; V147-L151 HydrophobicContact CG1-CG 4.14Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 WeakPolarHBondContact O-CG 3.38Å; V147-L151 PolarHBondContact O-N 3.2Å; Q148-L151 PolarHBondContact O-N 3.46Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.87Å; L151-F154 PolarHBondContact O-N 3.37Å; L151-Y155 HydrophobicContact CB-CD2 4.25Å; L151-Y155 HydrophobicContact CB-CE2 4Å; L151-Y155 HydrophobicContact CD2-CE2 3.81Å; L151-Y155 HydrophobicContact CG-CE2 4.41Å; L151-Y155 WeakPolarHBondContact O-CB 3.24Å; L151-Y155 WeakPolarHBondContact O-CD2 3.4Å; L151-Y155 PolarHBondContact O-N 3.44Å; L151-Y299 HydrophobicContact CB-CD2 3.4Å; L151-Y299 VanDerWaalsContact CB-CD2 3.4Å; L151-Y299 HydrophobicContact CB-CE2 3.37Å; L151-Y299 HydrophobicContact CB-CG 4.09Å; L151-Y299 HydrophobicContact CD1-CD1 4.38Å; L151-Y299 HydrophobicContact CD1-CD2 3.49Å; L151-Y299 VanDerWaalsContact CD1-CD2 3.49Å; L151-Y299 HydrophobicContact CD1-CE2 4.33Å; L151-Y299 HydrophobicContact CD1-CG 3.54Å; L151-Y299 HydrophobicContact CG-CD2 4.11Å; L151-Y299 HydrophobicContact CG-CG 4.46Å
152D96.6Very high94.1Very high51 Ų5125.9 Ų25.927%0.27312%0.12SC..Hα-helixtrans-57.9-44.3175-78.7-24.3000111.8Q148 F150 M156 Y299 L343Q148-D152 PolarHBondContact NE2-OD2 3.32Å; Q148-D152 PolarHBondContact O-N 3.37Å; Q148-D152 VanDerWaalsContact O-N 3.08Å; F150-D152 VanDerWaalsContact C-N 3.32Å; F150-D152 PolarHBondContact O-N 3.34Å; D152-M156 VanDerWaalsContact O-CB 3.24Å; D152-M156 WeakPolarHBondContact O-CB 3.28Å; D152-M156 PolarHBondContact O-N 2.88Å; D152-Y299 WeakPolarHBondContact OD1-CE2 3.34Å; D152-Y299 PolarHBondContact OD1-OH 2.89Å; D152-L343 HydrophobicContact CB-CD2 4.12Å; D152-L343 WeakPolarHBondContact O-CD1 3.49Å
153R97.6Very high94.7Very high41 Ų4124.9 Ų24.916%0.15511%0.113CC..Hα-helixtrans-73.2-41.6179.5-65173.163.579.9-0.7111.7E64 Y149 F150 L151 M156 M157 P380 V381E64-R153 VanDerWaalsContact CD-NE 3.32Å; E64-R153 IonicContact OE1-CZ 2.8Å; E64-R153 VanDerWaalsContact OE1-CZ 3.24Å; E64-R153 IonicContact OE1-NE 3.58Å; E64-R153 PolarHBondContact OE1-NE 3.34Å; E64-R153 IonicContact OE1-NH2 3.22Å; E64-R153 PolarHBondContact OE1-NH2 3.34Å; E64-R153 WeakPolarHBondContact OE2-CD 3.41Å; E64-R153 IonicContact OE2-CZ 3.8Å; E64-R153 IonicContact OE2-NE 3.79Å; E64-R153 PolarHBondContact OE2-NE 3.19Å; E64-R153 IonicContact OE2-NH2 2.94Å; Y149-R153 WeakPolarHBondContact O-CD 3.37Å; Y149-R153 VanDerWaalsContact O-CG 3.3Å; Y149-R153 WeakPolarHBondContact O-CG 3.33Å; Y149-R153 PolarHBondContact O-N 3.37Å; F150-R153 PolarHBondContact O-N 3.36Å; F150-R153 VanDerWaalsContact O-N 3.12Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.87Å; R153-M156 PolarHBondContact O-N 3.26Å; R153-M157 WeakPolarHBondContact O-CB 3.39Å; R153-M157 PolarHBondContact O-N 3.08Å; R153-P380 HydrophobicContact CB-CB 3.81Å; R153-P380 HydrophobicContact CB-CG 4.3Å; R153-P380 HydrophobicContact CG-CB 4.03Å; R153-P380 WeakPolarHBondContact O-CG 3.41Å; R153-V381 VanDerWaalsContact NH2-C 3.3Å; R153-V381 PolarHBondContact NH2-O 3.44Å
154F97.2Very high95.2Very high0 Ų024.5 Ų24.50%011%0.111CC..Hα-helixtrans-58.5-50177.8176.8-103.4000111.6I61 I65 V81 Y85 V122 M126 F150 L151 M157 R158I61-F154 VanDerWaalsContact CD1-CA 3.47Å; I61-F154 HydrophobicContact CD1-CB 3.96Å; I61-F154 HydrophobicContact CD1-CD2 4.09Å; I61-F154 HydrophobicContact CG1-CB 4.38Å; I61-F154 HydrophobicContact CG1-CD2 3.6Å; I61-F154 HydrophobicContact CG1-CE2 4.38Å; I61-F154 HydrophobicContact CG1-CG 4.45Å; I65-F154 HydrophobicContact CD1-CD2 4.34Å; I65-F154 HydrophobicContact CD1-CE2 4.05Å; V81-F154 HydrophobicContact CG1-CE2 4.16Å; V81-F154 HydrophobicContact CG1-CZ 3.64Å; Y85-F154 AromaticContact CE1-CE2 3.99Å; Y85-F154 HydrophobicContact CE1-CE2 3.99Å; Y85-F154 AromaticContact CE2-CE2 3.84Å; Y85-F154 HydrophobicContact CE2-CE2 3.84Å; Y85-F154 AromaticContact CE2-CZ 3.82Å; Y85-F154 HydrophobicContact CE2-CZ 3.82Å; Y85-F154 AromaticContact CZ-CE2 3.48Å; Y85-F154 VanDerWaalsContact CZ-CE2 3.48Å; Y85-F154 AromaticContact CZ-CZ 3.72Å; Y85-F154 WeakPolarHBondContact OH-CE2 3.22Å; Y85-F154 WeakPolarHBondContact OH-CZ 3.41Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.43Å; V122-F154 VanDerWaalsContact CG1-CZ 3.43Å; M126-F154 HydrophobicContact CB-CE1 4.21Å; M126-F154 HydrophobicContact CE-CE1 4.27Å; M126-F154 HydrophobicContact CE-CZ 4.15Å; M126-F154 HydrophobicContact CG-CD1 4.37Å; M126-F154 HydrophobicContact CG-CE1 4.1Å; F150-F154 HydrophobicContact CD1-CB 4.32Å; F150-F154 HydrophobicContact CE1-CB 3.84Å; F150-F154 HydrophobicContact CE1-CD1 4.48Å; F150-F154 HydrophobicContact CE1-CD2 4.29Å; F150-F154 AromaticContact CE1-CG 3.95Å; F150-F154 HydrophobicContact CE1-CG 3.95Å; F150-F154 HydrophobicContact CE2-CB 4.05Å; F150-F154 HydrophobicContact CE2-CD2 4.24Å; F150-F154 HydrophobicContact CE2-CG 4.43Å; F150-F154 HydrophobicContact CZ-CB 3.68Å; F150-F154 AromaticContact CZ-CD2 3.59Å; F150-F154 HydrophobicContact CZ-CD2 3.59Å; F150-F154 HydrophobicContact CZ-CE2 4.43Å; F150-F154 AromaticContact CZ-CG 3.69Å; F150-F154 HydrophobicContact CZ-CG 3.69Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.45Å; F150-F154 PolarHBondContact O-N 2.75Å; L151-F154 PolarHBondContact O-N 3.37Å; F154-M157 PolarHBondContact O-N 3.12Å; F154-R158 PolarHBondContact O-N 3.38Å
155Y97.2Very high95.7Very high2 Ų222.9 Ų22.91%0.00810%0.102CC..Hα-helixtrans-71.9-35.2178.9-66.1-47.7000112.8V123 M126 L151 M157 R158 I159 Y299 Y336 L340 L343V123-Y155 HydrophobicContact CB-CE1 4.2Å; V123-Y155 HydrophobicContact CG1-CE1 4.3Å; V123-Y155 HydrophobicContact CG2-CD1 4Å; V123-Y155 HydrophobicContact CG2-CE1 3.8Å; V123-Y155 PolarHBondContact O-OH 2.95Å; M126-Y155 WeakPolarHBondContact CB-OH 3.45Å; M126-Y155 WeakPolarHBondContact CG-OH 3.48Å; L151-Y155 HydrophobicContact CB-CD2 4.25Å; L151-Y155 HydrophobicContact CB-CE2 4Å; L151-Y155 HydrophobicContact CD2-CE2 3.81Å; L151-Y155 HydrophobicContact CG-CE2 4.41Å; L151-Y155 WeakPolarHBondContact O-CB 3.24Å; L151-Y155 WeakPolarHBondContact O-CD2 3.4Å; L151-Y155 PolarHBondContact O-N 3.44Å; Y155-M157 VanDerWaalsContact C-N 3.33Å; Y155-M157 PolarHBondContact O-N 3.38Å; Y155-R158 PolarHBondContact O-N 2.92Å; Y155-I159 VanDerWaalsContact O-CG1 3.29Å; Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 2.85Å; Y155-Y299 AromaticContact CD2-CE1 3.75Å; Y155-Y299 HydrophobicContact CD2-CE1 3.75Å; Y155-Y299 AromaticContact CD2-CZ 3.81Å; Y155-Y299 HydrophobicContact CE2-CD1 4.23Å; Y155-Y299 AromaticContact CE2-CE1 3.75Å; Y155-Y299 HydrophobicContact CE2-CE1 3.75Å; Y155-Y336 AromaticContact CE2-CD1 3.89Å; Y155-Y336 HydrophobicContact CE2-CD1 3.89Å; Y155-Y336 AromaticContact CE2-CE1 3.5Å; Y155-Y336 HydrophobicContact CE2-CE1 3.5Å; Y155-Y336 AromaticContact CZ-CE1 3.7Å; Y155-Y336 VanDerWaalsContact OH-CE1 3.28Å; Y155-Y336 WeakPolarHBondContact OH-CE1 3.04Å; Y155-L340 HydrophobicContact CD1-CD2 4.24Å; Y155-L340 HydrophobicContact CD2-CD2 3.68Å; Y155-L340 HydrophobicContact CE2-CD2 4.4Å; Y155-L340 HydrophobicContact CG-CD2 3.61Å; Y155-L343 VanDerWaalsContact CB-CD1 3.44Å
156M98.1Very high95.9Very high13 Ų1319.2 Ų19.26%0.0648%0.084CC..Hα-helixtrans-58.5-46.2171.4-170.468.581.200111.3D152 R153 R158 I159 S160 L343 K346 Y347 L378D152-M156 VanDerWaalsContact O-CB 3.24Å; D152-M156 WeakPolarHBondContact O-CB 3.28Å; D152-M156 PolarHBondContact O-N 2.88Å; R153-M156 PolarHBondContact O-N 3.26Å; M156-R158 VanDerWaalsContact C-N 3.33Å; M156-R158 PolarHBondContact O-N 2.59Å; M156-I159 PolarHBondContact O-N 2.83Å; M156-S160 VanDerWaalsContact O-CB 3.31Å; M156-S160 WeakPolarHBondContact O-CB 3.3Å; M156-S160 PolarHBondContact O-N 3.45Å; M156-L343 HydrophobicContact CE-CB 4.27Å; M156-L343 HydrophobicContact CE-CD2 3.86Å; M156-K346 HydrophobicContact CE-CB 3.84Å; M156-Y347 HydrophobicContact SD-CD2 3.88Å; M156-Y347 HydrophobicContact SD-CG 4.26Å; M156-L378 HydrophobicContact CE-CD2 4.33Å; M156-L378 WeakPolarHBondContact CG-O 3.31Å
157M97.9Very high96.1Very high1 Ų118.6 Ų18.61%0.0058%0.081CC..Hα-helixtrans-65.7-36.7177.1-166.860.687.900111.9P26 R57 N60 I61 R153 F154 Y155 S160 I161 P380P26-M157 HydrophobicContact CG-CE 3.88Å; R57-M157 HydrophobicContact CB-CE 4.3Å; R57-M157 HydrophobicContact CB-CG 4.34Å; R57-M157 HydrophobicContact CB-SD 3.55Å; R57-M157 VanDerWaalsContact CB-SD 3.55Å; R57-M157 HydrophobicContact CG-CE 4.4Å; R57-M157 HydrophobicContact CG-SD 3.71Å; N60-M157 HydrophobicContact CB-CE 4.17Å; I61-M157 HydrophobicContact CB-CB 4.3Å; I61-M157 HydrophobicContact CB-CG 4.08Å; I61-M157 HydrophobicContact CG1-CB 4.42Å; I61-M157 HydrophobicContact CG2-CG 4.13Å; R153-M157 WeakPolarHBondContact O-CB 3.39Å; R153-M157 PolarHBondContact O-N 3.08Å; F154-M157 PolarHBondContact O-N 3.12Å; Y155-M157 VanDerWaalsContact C-N 3.33Å; Y155-M157 PolarHBondContact O-N 3.38Å; M157-S160 WeakPolarHBondContact O-CB 3.48Å; M157-S160 PolarHBondContact O-N 2.91Å; M157-I161 HydrophobicContact CG-CD1 3.97Å; M157-I161 HydrophobicContact CG-CG1 4.48Å; M157-I161 WeakPolarHBondContact O-CG1 3.19Å; M157-I161 PolarHBondContact O-N 2.96Å; M157-P380 HydrophobicContact CB-CG 3.85Å; M157-P380 HydrophobicContact CE-CG 3.66Å; M157-P380 WeakPolarHBondContact CE-O 3.33Å; M157-P380 HydrophobicContact SD-CG 4.38Å
158R97.4Very high96.3Very high30 Ų3018.7 Ų18.711%0.1138%0.081CC..Hα-helixtrans-63.6-46.8175-175.6-173.5176.4-98.75.1112.2H119 T120 F154 Y155 M156 S160 I161 R162H119-R158 PolarHBondContact O-NE 3.28Å; H119-R158 PolarHBondContact O-NH2 2.96Å; T120-R158 PolarHBondContact O-NH2 3.26Å; F154-R158 PolarHBondContact O-N 3.38Å; Y155-R158 PolarHBondContact O-N 2.92Å; M156-R158 VanDerWaalsContact C-N 3.33Å; M156-R158 PolarHBondContact O-N 2.59Å; R158-S160 PolarHBondContact O-N 3.4Å; R158-I161 PolarHBondContact O-N 2.84Å; R158-R162 WeakPolarHBondContact O-CB 3.34Å; R158-R162 PolarHBondContact O-N 2.93Å
159I97.7Very high96.3Very high5 Ų517.6 Ų17.63%0.0268%0.076CC..Hα-helixtrans-55.2-46.1175.8-69.5165000109Y155 M156 R162 M163 L343 Y344 Y347Y155-I159 VanDerWaalsContact O-CG1 3.29Å; Y155-I159 WeakPolarHBondContact O-CG1 3.44Å; Y155-I159 PolarHBondContact O-N 2.85Å; M156-I159 PolarHBondContact O-N 2.83Å; I159-R162 PolarHBondContact O-N 2.94Å; I159-M163 WeakPolarHBondContact O-CB 3.33Å; I159-M163 PolarHBondContact O-N 3.3Å; I159-L343 HydrophobicContact CD1-CB 3.93Å; I159-Y344 HydrophobicContact CB-CE1 4.49Å; I159-Y344 HydrophobicContact CD1-CD1 3.96Å; I159-Y344 HydrophobicContact CD1-CD2 4.11Å; I159-Y344 HydrophobicContact CD1-CE1 3.98Å; I159-Y344 HydrophobicContact CD1-CE2 4.13Å; I159-Y344 HydrophobicContact CD1-CG 4.03Å; I159-Y344 HydrophobicContact CG1-CD1 4.24Å; I159-Y344 HydrophobicContact CG1-CE1 3.8Å; I159-Y344 HydrophobicContact CG1-CE2 4.4Å; I159-Y344 HydrophobicContact CG2-CD1 4.05Å; I159-Y344 HydrophobicContact CG2-CE1 3.91Å; I159-Y347 HydrophobicContact CG2-CD1 3.64Å; I159-Y347 HydrophobicContact CG2-CD2 4.24Å; I159-Y347 HydrophobicContact CG2-CE1 3.9Å; I159-Y347 HydrophobicContact CG2-CG 3.81Å
160S98Very high96.2Very high0 Ų016 Ų160%07%0.072CC..Hα-helixtrans-61.8-48179.1177.90000114.1R57 M156 M157 R158 M163 L164 Y347 E377 L379R57-S160 VanDerWaalsContact CZ-OG 3.3Å; R57-S160 PolarHBondContact NH1-O 2.78Å; R57-S160 PolarHBondContact NH1-OG 2.81Å; M156-S160 VanDerWaalsContact O-CB 3.31Å; M156-S160 WeakPolarHBondContact O-CB 3.3Å; M156-S160 PolarHBondContact O-N 3.45Å; M157-S160 WeakPolarHBondContact O-CB 3.48Å; M157-S160 PolarHBondContact O-N 2.91Å; R158-S160 PolarHBondContact O-N 3.4Å; S160-M163 WeakPolarHBondContact O-CB 3.3Å; S160-M163 PolarHBondContact O-N 2.77Å; S160-L164 PolarHBondContact O-N 2.78Å; S160-Y347 WeakPolarHBondContact CA-OH 3.26Å; S160-E377 PolarHBondContact OG-OE1 3.47Å; S160-L379 WeakPolarHBondContact OG-CD2 3.4Å
161I97.8Very high96Very high9 Ų918 Ų185%0.0468%0.082CC..Hα-helixtrans-62.1-45.7175.1-71.3164.8000110.3L54 R57 L58 M157 R158 M163 L164 L165L54-I161 HydrophobicContact CD2-CG2 4.22Å; R57-I161 HydrophobicContact CB-CD1 4.14Å; R57-I161 HydrophobicContact CB-CG1 3.92Å; L58-I161 HydrophobicContact CD2-CD1 3.73Å; L58-I161 HydrophobicContact CG-CD1 4.08Å; M157-I161 HydrophobicContact CG-CD1 3.97Å; M157-I161 HydrophobicContact CG-CG1 4.48Å; M157-I161 WeakPolarHBondContact O-CG1 3.19Å; M157-I161 PolarHBondContact O-N 2.96Å; R158-I161 PolarHBondContact O-N 2.84Å; I161-M163 VanDerWaalsContact C-N 3.29Å; I161-M163 PolarHBondContact O-N 3.37Å; I161-L164 PolarHBondContact O-N 2.93Å; I161-L165 HydrophobicContact CG2-CD1 3.74Å; I161-L165 HydrophobicContact CG2-CG 4.21Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.41Å; I161-L165 PolarHBondContact O-N 3.45Å
162R97.1Very high95.8Very high107 Ų10720.4 Ų20.440%0.4049%0.092SC..Hα-helixtrans-61.3-38.3178.2-177.8176.6172.984.6-0.4111.6R158 I159 S166R158-R162 WeakPolarHBondContact O-CB 3.34Å; R158-R162 PolarHBondContact O-N 2.93Å; I159-R162 PolarHBondContact O-N 2.94Å; R162-S166 VanDerWaalsContact O-CB 3.24Å; R162-S166 WeakPolarHBondContact O-CB 3.36Å; R162-S166 PolarHBondContact O-N 3.14Å; R162-S166 PolarHBondContact O-OG 3.43Å
163M96.8Very high95.1Very high2 Ų218.3 Ų18.31%0.018%0.083CC..Hα-helixtrans-59.6-51.2176.6-176.660.4-176.800110.8L34 I159 S160 I161 S166 Q167 I186 V234 Y347 F348L34-M163 HydrophobicContact CD1-CE 3.81Å; I159-M163 WeakPolarHBondContact O-CB 3.33Å; I159-M163 PolarHBondContact O-N 3.3Å; S160-M163 WeakPolarHBondContact O-CB 3.3Å; S160-M163 PolarHBondContact O-N 2.77Å; I161-M163 VanDerWaalsContact C-N 3.29Å; I161-M163 PolarHBondContact O-N 3.37Å; M163-S166 PolarHBondContact O-N 3.44Å; M163-Q167 HydrophobicContact CE-CG 3.88Å; M163-Q167 WeakPolarHBondContact O-CB 3.41Å; M163-Q167 WeakPolarHBondContact O-CG 3.48Å; M163-Q167 PolarHBondContact O-N 3.5Å; M163-Q167 HydrophobicContact SD-CG 4.3Å; M163-I186 HydrophobicContact CE-CD1 3.68Å; M163-I186 HydrophobicContact CE-CG1 3.63Å; M163-V234 HydrophobicContact CE-CG2 3.55Å; M163-V234 HydrophobicContact SD-CG2 3.97Å; M163-Y347 HydrophobicContact CB-CE1 4.18Å; M163-Y347 VanDerWaalsContact CB-OH 3.29Å; M163-Y347 WeakPolarHBondContact CB-OH 3.48Å; M163-Y347 HydrophobicContact CG-CE1 4.19Å; M163-Y347 WeakPolarHBondContact CG-OH 3.14Å; M163-F348 HydrophobicContact CE-CZ 4.2Å
164L96.9Very high94Very high6 Ų621.6 Ų21.63%0.03111%0.112CC..Hα-helixtrans-61.8-47.4178.2-71-172.7000113.2L29 F49 L50 E53 L54 R57 S160 I161 S166 Q167 H168L29-L164 HydrophobicContact CD1-CD2 3.96Å; F49-L164 HydrophobicContact CE1-CD1 4.36Å; F49-L164 HydrophobicContact CE1-CD2 4.26Å; L50-L164 HydrophobicContact CD2-CB 3.73Å; L50-L164 HydrophobicContact CD2-CD1 3.77Å; L50-L164 HydrophobicContact CD2-CD2 4.25Å; L50-L164 HydrophobicContact CD2-CG 4.14Å; E53-L164 HydrophobicContact CG-CD1 3.97Å; L54-L164 HydrophobicContact CD2-CB 4.11Å; L54-L164 HydrophobicContact CD2-CD1 3.99Å; R57-L164 VanDerWaalsContact NH1-CG 3.29Å; S160-L164 PolarHBondContact O-N 2.78Å; I161-L164 PolarHBondContact O-N 2.93Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 2.69Å; L164-Q167 PolarHBondContact O-N 3.03Å; L164-H168 PolarHBondContact O-N 2.9Å
165L95.8Very high93Very high4 Ų425.3 Ų25.32%0.02113%0.13CC..Hα-helixtrans-59.4-46.5178.3-68.7174.8000111.2L54 L112 I115 R116 I161 H168 L169L54-L165 HydrophobicContact CD1-CD2 3.69Å; L54-L165 HydrophobicContact CD2-CD2 4.38Å; L54-L165 HydrophobicContact CD2-CG 4.46Å; L112-L165 HydrophobicContact CB-CD2 3.98Å; L112-L165 HydrophobicContact CD1-CD2 4.11Å; L112-L165 HydrophobicContact CD2-CD2 3.67Å; L112-L165 HydrophobicContact CG-CD2 4.11Å; I115-L165 HydrophobicContact CG2-CD1 4.04Å; R116-L165 HydrophobicContact CB-CD1 4.17Å; I161-L165 HydrophobicContact CG2-CD1 3.74Å; I161-L165 HydrophobicContact CG2-CG 4.21Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.41Å; I161-L165 PolarHBondContact O-N 3.45Å; L165-H168 PolarHBondContact O-N 2.88Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 2.79Å
166S93.8Very high91.9Very high13 Ų1330.8 Ų30.89%0.09116%0.158CC..Hα-helixtrans-65.3-42.8-179.3-54.40000111.2R162 M163 L164 H168 L169 L170R162-S166 VanDerWaalsContact O-CB 3.24Å; R162-S166 WeakPolarHBondContact O-CB 3.36Å; R162-S166 PolarHBondContact O-N 3.14Å; R162-S166 PolarHBondContact O-OG 3.43Å; M163-S166 PolarHBondContact O-N 3.44Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 2.69Å; S166-H168 PolarHBondContact O-N 2.99Å; S166-L169 PolarHBondContact O-N 3.33Å; S166-L170 WeakPolarHBondContact O-CB 3.16Å; S166-L170 WeakPolarHBondContact O-CD1 3.24Å; S166-L170 WeakPolarHBondContact O-CG 3.21Å; S166-L170 PolarHBondContact O-N 2.94Å
167Q94Very high90.4Very high16 Ų1632 Ų328%0.07517%0.165CC..Hα-helixtrans-57.9-46176.1-76.5-69.5-3500112.1M163 L164 M171 V183 S185M163-Q167 HydrophobicContact CE-CG 3.88Å; M163-Q167 WeakPolarHBondContact O-CB 3.41Å; M163-Q167 WeakPolarHBondContact O-CG 3.48Å; M163-Q167 PolarHBondContact O-N 3.5Å; M163-Q167 HydrophobicContact SD-CG 4.3Å; L164-Q167 PolarHBondContact O-N 3.03Å; Q167-M171 VanDerWaalsContact O-CB 3.28Å; Q167-M171 WeakPolarHBondContact O-CB 3.37Å; Q167-M171 WeakPolarHBondContact O-CG 3.2Å; Q167-M171 PolarHBondContact O-N 3.43Å; Q167-V183 PolarHBondContact NE2-O 3.39Å; Q167-V183 PolarHBondContact OE1-O 3.45Å; Q167-S185 PolarHBondContact NE2-OG 3.05Å
168H94.8Very high88.9Confident2 Ų241.4 Ų41.41%0.00921%0.206CC..Hα-helixtrans-66.8-49.7179-167.784.8000112.7S46 L50 N109 L112 L164 L165 S166 L170 M171 F172 G173S46-H168 WeakPolarHBondContact CB-ND1 3.37Å; S46-H168 PolarHBondContact OG-ND1 2.62Å; L50-H168 HydrophobicContact CD1-CB 3.46Å; L50-H168 VanDerWaalsContact CD1-CB 3.46Å; L50-H168 WeakPolarHBondContact CD1-ND1 3.13Å; N109-H168 PolarHBondContact OD1-CD2 2.68Å; N109-H168 PolarHBondContact OD1-NE2 3.27Å; L112-H168 HydrophobicContact CD1-CB 4.29Å; L164-H168 PolarHBondContact O-N 2.9Å; L165-H168 PolarHBondContact O-N 2.88Å; S166-H168 PolarHBondContact O-N 2.99Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.95Å; H168-M171 PolarHBondContact O-N 2.97Å; H168-F172 AromaticContact ND1-CD2 3.87Å; H168-F172 PolarHBondContact O-N 3.11Å; H168-G173 PolarHBondContact O-N 2.99Å
169L93.7Very high87.6Confident2 Ų246 Ų461%0.0123%0.229CC..Hα-helixtrans-66.6-35.7-174.8-69.1171.6000112.4L112 A113 R116 L165 S166 M171 G173L112-L169 HydrophobicContact CB-CD1 4.5Å; L112-L169 HydrophobicContact CB-CD2 4.11Å; L112-L169 HydrophobicContact CB-CG 4.43Å; A113-L169 HydrophobicContact CB-CD1 4.35Å; A113-L169 HydrophobicContact CB-CD2 4.26Å; R116-L169 HydrophobicContact CB-CD1 4.48Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 2.79Å; S166-L169 PolarHBondContact O-N 3.33Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-G173 CarbonylContact O-C 3.31Å; L169-G173 WeakPolarHBondContact O-CA 3.18Å; L169-G173 PolarHBondContact O-N 3.45Å
170L92.7Very high86.5Confident33 Ų3357.9 Ų57.917%0.17327%0.273CS..Hα-helixtrans-73.4-25.5176.7-69.4173.2000113.2S166 H168 E175 L176 N177S166-L170 WeakPolarHBondContact O-CB 3.16Å; S166-L170 WeakPolarHBondContact O-CD1 3.24Å; S166-L170 WeakPolarHBondContact O-CG 3.21Å; S166-L170 PolarHBondContact O-N 2.94Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.95Å; L170-E175 WeakPolarHBondContact CA-O 3.09Å; L170-E175 HydrophobicContact CD2-CB 4.07Å; L170-E175 WeakPolarHBondContact CD2-O 3.46Å; L170-L176 WeakPolarHBondContact O-CA 3.29Å; L170-N177 PolarHBondContact O-N 3.32Å
171M90.1Very high85.9Confident42 Ų4263 Ų6321%0.20729%0.292CS..Hα-helixtrans-95.5-35.2-178-69.4-59.8-55.700113.6G38 Q167 H168 L169 L176 V183 G184G38-M171 WeakPolarHBondContact O-CE 3.46Å; Q167-M171 VanDerWaalsContact O-CB 3.28Å; Q167-M171 WeakPolarHBondContact O-CB 3.37Å; Q167-M171 WeakPolarHBondContact O-CG 3.2Å; Q167-M171 PolarHBondContact O-N 3.43Å; H168-M171 PolarHBondContact O-N 2.97Å; L169-M171 VanDerWaalsContact C-N 3.34Å; M171-L176 VanDerWaalsContact O-CD2 3.29Å; M171-L176 WeakPolarHBondContact O-CD2 3.45Å; M171-V183 HydrophobicContact SD-CG1 4.45Å; M171-G184 PolarHBondContact SD-N 3.42Å
172F89.8Confident85.6Confident49 Ų4966 Ų6622%0.21530%0.303CS..Hα-helixtrans-137-4.1-169.9-49.5-66.7000114.1F37 V43 N109 H168F37-F172 HydrophobicContact CE1-CE2 4.14Å; F37-F172 HydrophobicContact CE1-CZ 4.36Å; V43-F172 HydrophobicContact CB-CB 4.08Å; V43-F172 HydrophobicContact CB-CD1 3.79Å; V43-F172 HydrophobicContact CB-CE1 4.36Å; V43-F172 HydrophobicContact CB-CG 3.88Å; V43-F172 HydrophobicContact CG2-CB 3.61Å; V43-F172 HydrophobicContact CG2-CD1 4.29Å; V43-F172 HydrophobicContact CG2-CD2 4.5Å; V43-F172 HydrophobicContact CG2-CG 3.9Å; N109-F172 PolarHBondContact ND2-O 3.48Å; H168-F172 AromaticContact ND1-CD2 3.87Å; H168-F172 PolarHBondContact O-N 3.11Å
173G82.2Confident85.4Confident8 Ų861.6 Ų61.68%0.08229%0.289CS..SBendtrans-93.3-163.6-179.600000112.9H168 L169 E175H168-G173 PolarHBondContact O-N 2.99Å; L169-G173 CarbonylContact O-C 3.31Å; L169-G173 WeakPolarHBondContact O-CA 3.18Å; L169-G173 PolarHBondContact O-N 3.45Å; G173-E175 PolarHBondContact O-N 3.21Å
174S74.3Confident85.1Confident110 Ų11061.5 Ų61.577%0.76929%0.288SS*.THydrogen-bonded Turntrans-69.1-13.2176.2510000113.8
175E76.9Confident85Confident78 Ų7862 Ų6236%0.36429%0.292SS..THydrogen-bonded Turntrans-103.337.6-175.7-59.9-173.2168.900112.5R116 L170 G173 N177R116-E175 IonicContact CZ-OE1 3.37Å; R116-E175 IonicContact CZ-OE2 2.74Å; R116-E175 IonicContact NH1-OE1 3.61Å; R116-E175 IonicContact NH1-OE2 2.72Å; R116-E175 PolarHBondContact NH1-OE2 3.43Å; R116-E175 IonicContact NH2-OE1 3.55Å; R116-E175 PolarHBondContact NH2-OE1 3.28Å; R116-E175 IonicContact NH2-OE2 2.72Å; R116-E175 PolarHBondContact NH2-OE2 2.99Å; R116-E175 VanDerWaalsContact NH2-OE2 3.11Å; L170-E175 WeakPolarHBondContact CA-O 3.09Å; L170-E175 HydrophobicContact CD2-CB 4.07Å; L170-E175 WeakPolarHBondContact CD2-O 3.46Å; G173-E175 PolarHBondContact O-N 3.21Å; E175-N177 PolarHBondContact O-N 2.86Å
176L73.4Confident85Confident116 Ų11661.8 Ų61.861%0.60729%0.291SS*.  trans-44.7119.8178.8-77.4162.7000110.7L170 M171 K178L170-L176 WeakPolarHBondContact O-CA 3.29Å; M171-L176 VanDerWaalsContact O-CD2 3.29Å; M171-L176 WeakPolarHBondContact O-CD2 3.45Å; L176-K178 PolarHBondContact O-N 2.81Å
177N67.9Low85Confident40 Ų4061.3 Ų61.321%0.21429%0.288CS..  trans-46.2110.2-175.5-97.3-12.7000111.6L170 E175 H179 Y182 G184L170-N177 PolarHBondContact O-N 3.32Å; E175-N177 PolarHBondContact O-N 2.86Å; N177-H179 PolarHBondContact O-N 3.42Å; N177-Y182 PolarHBondContact ND2-O 2.68Å; N177-G184 VanDerWaalsContact ND2-CA 3.28Å; N177-G184 WeakPolarHBondContact ND2-CA 3.35Å; N177-G184 PolarHBondContact ND2-N 2.9Å; N177-G184 VanDerWaalsContact ND2-N 3.13Å; N177-G184 PolarHBondContact ND2-O 3.38Å; N177-G184 PolarHBondContact OD1-O 2.94Å
178K65.8Low85.1Confident197 Ų19761.7 Ų61.786%0.85729%0.291SS*.SBendtrans-67.2-28.7170.4-64-177.9-177.5176.20110.9L176 R180L176-K178 PolarHBondContact O-N 2.81Å; K178-R180 PolarHBondContact O-N 3.47Å
179H69.9Low85.1Confident128 Ų12865.6 Ų65.659%0.59331%0.312SS*.  trans-84.395.5177.4-61.2-72.6000110.8N177 R181 Y182N177-H179 PolarHBondContact O-N 3.42Å; H179-R181 PolarHBondContact O-N 3.38Å; H179-Y182 HydrophobicContact CB-CD2 4.42Å; H179-Y182 HydrophobicContact CB-CG 4.38Å; H179-Y182 PolarHBondContact O-N 3.07Å
180R74.4Confident85.2Confident254 Ų25465.5 Ų65.596%0.95831%0.312SS*.THydrogen-bonded Turntrans-57.3-17179.6-66.4-173.9176.4-166.8-0.9114.9K178K178-R180 PolarHBondContact O-N 3.47Å
181R86.3Confident85.3Confident107 Ų10764.4 Ų64.440%0.40431%0.306SS..THydrogen-bonded Turntrans-72.6-34.3176.4-177.6-177.3176.6169.87.8112.2H179 D187 P188 D189H179-R181 PolarHBondContact O-N 3.38Å; R181-D187 IonicContact CZ-OD1 2.8Å; R181-D187 IonicContact CZ-OD2 3.26Å; R181-D187 IonicContact NE-OD1 2.99Å; R181-D187 PolarHBondContact NE-OD1 3.07Å; R181-D187 IonicContact NE-OD2 2.95Å; R181-D187 PolarHBondContact NE-OD2 3.34Å; R181-D187 IonicContact NH1-OD2 3.87Å; R181-D187 IonicContact NH2-OD1 3.96Å; R181-D187 IonicContact NH2-OD2 3.68Å; R181-P188 WeakPolarHBondContact O-CD 3.18Å; R181-D189 PolarHBondContact NH2-O 2.87Å
182Y91Very high85.6Confident71 Ų7162.4 Ų62.428%0.27830%0.296SS..  trans-88.6141.8-170-67.62.2000111.7N177 H179 G184 I186 D187 P235N177-Y182 PolarHBondContact ND2-O 2.68Å; H179-Y182 HydrophobicContact CB-CD2 4.42Å; H179-Y182 HydrophobicContact CB-CG 4.38Å; H179-Y182 PolarHBondContact O-N 3.07Å; Y182-G184 WeakPolarHBondContact CB-O 3.29Å; Y182-I186 WeakPolarHBondContact CA-O 3.46Å; Y182-D187 HydrophobicContact CD1-CB 3.79Å; Y182-D187 HydrophobicContact CE1-CB 3.53Å; Y182-D187 VanDerWaalsContact CE1-OD2 3.29Å; Y182-D187 WeakPolarHBondContact CE1-OD2 3.42Å; Y182-P235 HydrophobicContact CE2-CG 4.26Å
183V92Very high85.9Confident15 Ų1564.1 Ų64.19%0.09130%0.301CS..BIsolated β-bridgetrans-99.996.1168.5-175.10000107.2K39 Q167 M171 S185 I186 P188K39-V183 HydrophobicContact CG-CG2 4.28Å; Q167-V183 PolarHBondContact NE2-O 3.39Å; Q167-V183 PolarHBondContact OE1-O 3.45Å; M171-V183 HydrophobicContact SD-CG1 4.45Å; V183-S185 PolarHBondContact O-N 3.18Å; V183-I186 PolarHBondContact N-O 2.71Å; V183-I186 WeakPolarHBondContact O-CB 3.45Å; V183-I186 PolarHBondContact O-N 2.52Å; V183-P188 HydrophobicContact CG2-CG 4.25Å
184G92.3Very high86.5Confident0 Ų067.7 Ų67.70%032%0.316CS..THydrogen-bonded Turntrans60.4-124.2-166.600000110.3M171 N177 Y182M171-G184 PolarHBondContact SD-N 3.42Å; N177-G184 VanDerWaalsContact ND2-CA 3.28Å; N177-G184 WeakPolarHBondContact ND2-CA 3.35Å; N177-G184 PolarHBondContact ND2-N 2.9Å; N177-G184 VanDerWaalsContact ND2-N 3.13Å; N177-G184 PolarHBondContact ND2-O 3.38Å; N177-G184 PolarHBondContact OD1-O 2.94Å; Y182-G184 WeakPolarHBondContact CB-O 3.29Å
185S93Very high87.6Confident17 Ų1763.2 Ų63.212%0.11928%0.283CS..THydrogen-bonded Turntrans-87.63.417460.80000114.8Q167 V183 P235Q167-S185 PolarHBondContact NE2-OG 3.05Å; V183-S185 PolarHBondContact O-N 3.18Å; S185-P235 WeakPolarHBondContact O-CD 3.24Å
186I96Very high88.6Confident0 Ų059.5 Ų59.50%027%0.266CS..BIsolated β-bridgetrans-99.8129.8-176-61.3157.1000109.5L31 L34 I35 M163 Y182 V183 V232 Y233 V234L31-I186 HydrophobicContact CD2-CD1 3.98Å; L31-I186 HydrophobicContact CD2-CG1 4.08Å; L34-I186 HydrophobicContact CB-CD1 3.54Å; L34-I186 HydrophobicContact CD1-CD1 4.13Å; L34-I186 HydrophobicContact CG-CD1 4.47Å; I35-I186 HydrophobicContact CD1-CG2 3.63Å; I35-I186 HydrophobicContact CG1-CB 4.29Å; I35-I186 HydrophobicContact CG1-CD1 4.23Å; I35-I186 HydrophobicContact CG1-CG2 3.7Å; M163-I186 HydrophobicContact CE-CD1 3.68Å; M163-I186 HydrophobicContact CE-CG1 3.63Å; Y182-I186 WeakPolarHBondContact CA-O 3.46Å; V183-I186 PolarHBondContact N-O 2.71Å; V183-I186 WeakPolarHBondContact O-CB 3.45Å; V183-I186 PolarHBondContact O-N 2.52Å; I186-V232 HydrophobicContact CG2-CG1 3.84Å; I186-Y233 WeakPolarHBondContact CG2-O 3.48Å; I186-V234 HydrophobicContact CG1-CG2 3.87Å
187D95.2Very high89.8Confident3 Ų356.2 Ų56.22%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-93.8117.7167.9-171.3-6.9000108.9R181 Y182 D189 C190 Y233 P235R181-D187 IonicContact CZ-OD1 2.8Å; R181-D187 IonicContact CZ-OD2 3.26Å; R181-D187 IonicContact NE-OD1 2.99Å; R181-D187 PolarHBondContact NE-OD1 3.07Å; R181-D187 IonicContact NE-OD2 2.95Å; R181-D187 PolarHBondContact NE-OD2 3.34Å; R181-D187 IonicContact NH1-OD2 3.87Å; R181-D187 IonicContact NH2-OD1 3.96Å; R181-D187 IonicContact NH2-OD2 3.68Å; Y182-D187 HydrophobicContact CD1-CB 3.79Å; Y182-D187 HydrophobicContact CE1-CB 3.53Å; Y182-D187 VanDerWaalsContact CE1-OD2 3.29Å; Y182-D187 WeakPolarHBondContact CE1-OD2 3.42Å; D187-D189 PolarHBondContact O-N 2.74Å; D187-D189 PolarHBondContact OD1-N 3.09Å; D187-C190 HydrophobicContact CB-CB 3.98Å; D187-Y233 PolarHBondContact N-O 3.02Å; D187-Y233 PolarHBondContact O-N 2.87Å; D187-P235 HydrophobicContact CB-CG 3.64Å
188P95.3Very high91.2Very high23 Ų2358.2 Ų58.215%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-59-27174.7-23.834.9000113.7I35 R181 V183 V232I35-P188 HydrophobicContact CD1-CB 4.39Å; I35-P188 HydrophobicContact CD1-CG 4.33Å; R181-P188 WeakPolarHBondContact O-CD 3.18Å; V183-P188 HydrophobicContact CG2-CG 4.25Å; P188-V232 VanDerWaalsContact O-CG2 3.32Å; P188-V232 WeakPolarHBondContact O-CG2 3.32Å
189D94.7Very high92.7Very high84 Ų8448.8 Ų48.845%0.44922%0.219SC..EExtended strand (participates in β ladder)trans-125.941.9-173.4-55.5-59.9000110.2R181 D187 N191R181-D189 PolarHBondContact NH2-O 2.87Å; D187-D189 PolarHBondContact O-N 2.74Å; D187-D189 PolarHBondContact OD1-N 3.09Å; D189-N191 PolarHBondContact O-N 2.96Å
190C95.9Very high94Very high0 Ų043.6 Ų43.60%020%0.195CC..EExtended strand (participates in β ladder)trans-56.5111.1-175.5-171.90000111.1D187 V192 E230 F231D187-C190 HydrophobicContact CB-CB 3.98Å; C190-V192 PolarHBondContact O-N 2.98Å; C190-E230 WeakPolarHBondContact O-CA 3.23Å; C190-F231 WeakPolarHBondContact CA-O 3.26Å; C190-F231 WeakPolarHBondContact CB-O 3.49Å; C190-F231 PolarHBondContact N-O 2.81Å; C190-F231 PolarHBondContact O-N 3.04Å
191N95.2Very high95.1Very high10 Ų1037.8 Ų37.85%0.05318%0.178CC..EExtended strand (participates in β ladder)trans-83.6111.9179.4-177-11.6000110.2D189 R193 E194 I195 E230D189-N191 PolarHBondContact O-N 2.96Å; N191-R193 PolarHBondContact O-N 2.94Å; N191-R193 WeakPolarHBondContact OD1-CB 3.3Å; N191-R193 PolarHBondContact OD1-N 2.58Å; N191-E194 HydrophobicContact CB-CB 4.16Å; N191-E194 HydrophobicContact CB-CG 4.06Å; N191-E194 VanDerWaalsContact ND2-CD 3.27Å; N191-E194 WeakPolarHBondContact ND2-CG 3.16Å; N191-E194 PolarHBondContact ND2-OE1 2.83Å; N191-E194 PolarHBondContact O-N 3.21Å; N191-I195 WeakPolarHBondContact O-CG1 3.36Å; N191-I195 PolarHBondContact O-N 3.48Å; N191-E230 HydrophobicContact CB-CG 4.02Å
192V96.8Very high95.6Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-58.5-36.1-178.6177.70000112.2C190 L196 V229 F231 L238 I270 V277 I279C190-V192 PolarHBondContact O-N 2.98Å; V192-L196 VanDerWaalsContact O-CB 3.31Å; V192-L196 WeakPolarHBondContact O-CB 3.36Å; V192-L196 PolarHBondContact O-N 2.88Å; V192-V229 HydrophobicContact CB-CB 4.41Å; V192-V229 HydrophobicContact CB-CG1 4.4Å; V192-V229 HydrophobicContact CG2-CB 4.37Å; V192-V229 HydrophobicContact CG2-CG1 3.87Å; V192-V229 PolarHBondContact N-O 3.37Å; V192-F231 HydrophobicContact CG2-CD1 4.06Å; V192-F231 HydrophobicContact CG2-CE1 3.6Å; V192-L238 HydrophobicContact CG2-CD2 4.33Å; V192-I270 HydrophobicContact CB-CG2 4.42Å; V192-I270 HydrophobicContact CG1-CD1 3.86Å; V192-I270 HydrophobicContact CG1-CG1 4.23Å; V192-I270 HydrophobicContact CG1-CG2 4.02Å; V192-V277 HydrophobicContact CG2-CG1 4.02Å; V192-I279 HydrophobicContact CG1-CD1 3.44Å; V192-I279 VanDerWaalsContact CG1-CD1 3.44Å; V192-I279 HydrophobicContact CG1-CG1 3.87Å
193R95.3Very high95.9Very high85 Ų8532.9 Ų32.932%0.32117%0.165SC..Hα-helixtrans-69-44-176.2-179.658.8-171-10910.8111.8N191 I195 L196 D197 V219N191-R193 PolarHBondContact O-N 2.94Å; N191-R193 WeakPolarHBondContact OD1-CB 3.3Å; N191-R193 PolarHBondContact OD1-N 2.58Å; R193-I195 PolarHBondContact O-N 3.24Å; R193-L196 PolarHBondContact O-N 3.08Å; R193-D197 IonicContact CZ-OD1 2.86Å; R193-D197 IonicContact CZ-OD2 2.91Å; R193-D197 VanDerWaalsContact NE-CG 3.27Å; R193-D197 IonicContact NE-OD1 3.31Å; R193-D197 PolarHBondContact NE-OD1 2.87Å; R193-D197 IonicContact NE-OD2 3.9Å; R193-D197 PolarHBondContact NE-OD2 2.96Å; R193-D197 IonicContact NH2-OD1 3.94Å; R193-D197 PolarHBondContact NH2-OD1 3.04Å; R193-D197 IonicContact NH2-OD2 3.53Å; R193-D197 VanDerWaalsContact O-CG 3.3Å; R193-D197 PolarHBondContact O-N 3.27Å; R193-V219 VanDerWaalsContact NH1-CB 3.28Å
194E95.4Very high96.1Very high83 Ų8334 Ų3439%0.38817%0.168SC..Hα-helixtrans-58.1-48.8176.5-72.9166.6-15500110.4N191 L196 D197 D198N191-E194 HydrophobicContact CB-CB 4.16Å; N191-E194 HydrophobicContact CB-CG 4.06Å; N191-E194 VanDerWaalsContact ND2-CD 3.27Å; N191-E194 WeakPolarHBondContact ND2-CG 3.16Å; N191-E194 PolarHBondContact ND2-OE1 2.83Å; N191-E194 PolarHBondContact O-N 3.21Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.3Å; E194-D197 PolarHBondContact O-N 2.73Å; E194-D198 PolarHBondContact O-N 2.98Å
195I97.4Very high96.3Very high16 Ų1640.5 Ų40.58%0.08220%0.197CC..Hα-helixtrans-66.3-33.1179.8-54.3-54000112.6N191 R193 A199 P235 L238 L242N191-I195 WeakPolarHBondContact O-CG1 3.36Å; N191-I195 PolarHBondContact O-N 3.48Å; R193-I195 PolarHBondContact O-N 3.24Å; I195-A199 VanDerWaalsContact O-CB 3.28Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.34Å; I195-A199 VanDerWaalsContact O-N 3.09Å; I195-P235 HydrophobicContact CD1-CB 3.83Å; I195-P235 HydrophobicContact CG1-CB 4.45Å; I195-L238 HydrophobicContact CB-CD2 4Å; I195-L238 HydrophobicContact CB-CG 4.31Å; I195-L238 HydrophobicContact CG1-CD2 4.25Å; I195-L238 HydrophobicContact CG2-CB 4.08Å; I195-L238 HydrophobicContact CG2-CD2 4.03Å; I195-L238 HydrophobicContact CG2-CG 3.79Å; I195-L242 HydrophobicContact CG2-CD1 4.36Å
196L97.9Very high96.3Very high0 Ų041.9 Ų41.90%020%0.203CC..Hα-helixtrans-67.6-45.4175.3176.469.2000111.7V192 R193 E194 A199 H200 M217 V219 L242 L246 V268 I270V192-L196 VanDerWaalsContact O-CB 3.31Å; V192-L196 WeakPolarHBondContact O-CB 3.36Å; V192-L196 PolarHBondContact O-N 2.88Å; R193-L196 PolarHBondContact O-N 3.08Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.44Å; L196-H200 VanDerWaalsContact O-CB 3.26Å; L196-H200 WeakPolarHBondContact O-CB 3.24Å; L196-H200 PolarHBondContact O-N 3.31Å; L196-M217 HydrophobicContact CD1-SD 4.08Å; L196-M217 HydrophobicContact CD2-CE 4.29Å; L196-M217 HydrophobicContact CD2-SD 4.14Å; L196-M217 HydrophobicContact CG-CE 4.07Å; L196-M217 HydrophobicContact CG-SD 4Å; L196-V219 HydrophobicContact CD2-CG1 3.93Å; L196-V219 HydrophobicContact CD2-CG2 3.79Å; L196-L242 HydrophobicContact CB-CD1 3.96Å; L196-L242 HydrophobicContact CD1-CD1 4.03Å; L196-L242 HydrophobicContact CD1-CD2 4.31Å; L196-L246 HydrophobicContact CD1-CD1 4.02Å; L196-V268 HydrophobicContact CD1-CG1 4.26Å; L196-V268 HydrophobicContact CD1-CG2 4.45Å; L196-V268 HydrophobicContact CD2-CB 4.11Å; L196-V268 HydrophobicContact CD2-CG1 3.64Å; L196-V268 HydrophobicContact CD2-CG2 4.4Å; L196-I270 HydrophobicContact CD2-CD1 4.08Å
197D97.4Very high96.2Very high47 Ų4741.9 Ų41.925%0.25120%0.203SC..Hα-helixtrans-64.5-44.9-179.4-67.9-29.3000110R193 E194 A199 H200 E201R193-D197 IonicContact CZ-OD1 2.86Å; R193-D197 IonicContact CZ-OD2 2.91Å; R193-D197 VanDerWaalsContact NE-CG 3.27Å; R193-D197 IonicContact NE-OD1 3.31Å; R193-D197 PolarHBondContact NE-OD1 2.87Å; R193-D197 IonicContact NE-OD2 3.9Å; R193-D197 PolarHBondContact NE-OD2 2.96Å; R193-D197 IonicContact NH2-OD1 3.94Å; R193-D197 PolarHBondContact NH2-OD1 3.04Å; R193-D197 IonicContact NH2-OD2 3.53Å; R193-D197 VanDerWaalsContact O-CG 3.3Å; R193-D197 PolarHBondContact O-N 3.27Å; E194-D197 PolarHBondContact O-N 2.73Å; D197-A199 PolarHBondContact O-N 3.17Å; D197-H200 WeakPolarHBondContact O-CB 3.46Å; D197-H200 PolarHBondContact O-N 3.3Å; D197-E201 WeakPolarHBondContact O-CG 3.44Å; D197-E201 PolarHBondContact O-N 3.18Å
198D97.4Very high96.1Very high82 Ų8245.8 Ų45.844%0.43922%0.221SC..Hα-helixtrans-57.5-49.7174-68-13.6000111.6E194 H200 E201 D202 Y239E194-D198 PolarHBondContact O-N 2.98Å; D198-H200 VanDerWaalsContact C-N 3.27Å; D198-H200 PolarHBondContact O-N 3.32Å; D198-E201 PolarHBondContact O-N 3.27Å; D198-D202 PolarHBondContact O-N 3.24Å; D198-D202 VanDerWaalsContact O-N 3.16Å; D198-Y239 HydrophobicContact CB-CD2 4.41Å; D198-Y239 HydrophobicContact CB-CE2 4.36Å
199A98Very high96Very high0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-63.9-32.7179.200000112.8I195 L196 D197 A203 Y239 L242 F243 L246I195-A199 VanDerWaalsContact O-CB 3.28Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.34Å; I195-A199 VanDerWaalsContact O-N 3.09Å; L196-A199 PolarHBondContact O-N 3.44Å; D197-A199 PolarHBondContact O-N 3.17Å; A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.03Å; A199-A203 VanDerWaalsContact O-N 3.08Å; A199-Y239 HydrophobicContact CB-CD2 3.9Å; A199-Y239 HydrophobicContact CB-CE2 4.02Å; A199-L242 HydrophobicContact CB-CB 3.9Å; A199-F243 HydrophobicContact CB-CB 4.1Å; A199-L246 HydrophobicContact CB-CD1 4.22Å
200H97.9Very high95.8Very high19 Ų1951.2 Ų51.29%0.08824%0.238CC..Hα-helixtrans-71.2-45.2175.9167.2-97.7000112.1L196 D197 D198 D202 A203 K204 M217 L246 M250L196-H200 VanDerWaalsContact O-CB 3.26Å; L196-H200 WeakPolarHBondContact O-CB 3.24Å; L196-H200 PolarHBondContact O-N 3.31Å; D197-H200 WeakPolarHBondContact O-CB 3.46Å; D197-H200 PolarHBondContact O-N 3.3Å; D198-H200 VanDerWaalsContact C-N 3.27Å; D198-H200 PolarHBondContact O-N 3.32Å; H200-D202 VanDerWaalsContact C-N 3.34Å; H200-D202 PolarHBondContact O-N 2.99Å; H200-A203 PolarHBondContact O-N 2.93Å; H200-K204 WeakPolarHBondContact O-CB 3.25Å; H200-K204 PolarHBondContact O-N 2.85Å; H200-M217 HydrophobicContact CB-CE 3.53Å; H200-M217 HydrophobicContact CB-SD 3.93Å; H200-M217 VanDerWaalsContact CG-CE 3.49Å; H200-M217 WeakPolarHBondContact NE2-CB 3.15Å; H200-L246 HydrophobicContact CB-CD1 3.9Å; H200-M250 VanDerWaalsContact CD2-CE 3.42Å; H200-M250 WeakPolarHBondContact CD2-CE 3.41Å
201E97.3Very high95.5Very high131 Ų13153.9 Ų53.961%0.61225%0.248SC*.Hα-helixtrans-58.6-46.6177.6-73.9-176.7-176.700111.2D197 D198 K204 F205D197-E201 WeakPolarHBondContact O-CG 3.44Å; D197-E201 PolarHBondContact O-N 3.18Å; D198-E201 PolarHBondContact O-N 3.27Å; E201-K204 PolarHBondContact O-N 3.33Å; E201-F205 WeakPolarHBondContact O-CB 3.38Å; E201-F205 PolarHBondContact O-N 3.38Å
202D96.5Very high95.3Very high75 Ų7558.8 Ų58.840%0.40128%0.283SS..Hα-helixtrans-66.5-42.5178.5-70.5-29.9000112.4D198 H200 F205 L206 Y239 F243D198-D202 PolarHBondContact O-N 3.24Å; D198-D202 VanDerWaalsContact O-N 3.16Å; H200-D202 VanDerWaalsContact C-N 3.34Å; H200-D202 PolarHBondContact O-N 2.99Å; D202-F205 PolarHBondContact O-N 3.25Å; D202-L206 WeakPolarHBondContact O-CG 3.23Å; D202-L206 PolarHBondContact O-N 3.02Å; D202-L206 VanDerWaalsContact O-N 3.16Å; D202-Y239 WeakPolarHBondContact CB-OH 3.35Å; D202-Y239 WeakPolarHBondContact OD2-CE2 3.3Å; D202-Y239 PolarHBondContact OD2-OH 3.43Å; D202-F243 HydrophobicContact CB-CD2 4.16Å; D202-F243 HydrophobicContact CB-CE2 4.04Å
203A96.5Very high95.1Very high0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-66.6-39.1176.900000112A199 H200 L206 C207 F243 L246 M250A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.03Å; A199-A203 VanDerWaalsContact O-N 3.08Å; H200-A203 PolarHBondContact O-N 2.93Å; A203-L206 PolarHBondContact O-N 3.23Å; A203-C207 WeakPolarHBondContact O-CB 3.29Å; A203-C207 PolarHBondContact O-N 2.88Å; A203-F243 HydrophobicContact CB-CD2 4.07Å; A203-F243 HydrophobicContact CB-CE2 4.22Å; A203-L246 HydrophobicContact CB-CB 4.04Å; A203-M250 VanDerWaalsContact C-SD 3.5Å; A203-M250 HydrophobicContact CB-CE 4.13Å; A203-M250 HydrophobicContact CB-SD 3.8Å
204K96.4Very high95.1Very high38 Ų3857.4 Ų57.417%0.16529%0.29CS..Hα-helixtrans-63.1-47.3176.5-176.5173-175.4171.60110.2H200 E201 L206 C207 E208 A214 E216 M250H200-K204 WeakPolarHBondContact O-CB 3.25Å; H200-K204 PolarHBondContact O-N 2.85Å; E201-K204 PolarHBondContact O-N 3.33Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.08Å; K204-C207 WeakPolarHBondContact O-CB 3.02Å; K204-C207 PolarHBondContact O-N 3.33Å; K204-C207 VanDerWaalsContact O-N 3.13Å; K204-E208 WeakPolarHBondContact CE-OE1 3.45Å; K204-E208 HydrophobicContact CG-CG 4.3Å; K204-E208 WeakPolarHBondContact O-CB 3.29Å; K204-E208 WeakPolarHBondContact O-CG 3.44Å; K204-E208 PolarHBondContact O-N 2.99Å; K204-A214 HydrophobicContact CG-CB 3.77Å; K204-E216 IonicContact NZ-OE1 2.68Å; K204-E216 PolarHBondContact NZ-OE1 3.12Å; K204-E216 IonicContact NZ-OE2 3.32Å; K204-E216 PolarHBondContact NZ-OE2 3.41Å; K204-M250 HydrophobicContact CB-CE 3.9Å
205F95.8Very high95.2Very high138 Ų13853.5 Ų53.561%0.60527%0.272SS*.Hα-helixtrans-56.4-45.1176.8179.3-97000112.2E201 D202 H209E201-F205 WeakPolarHBondContact O-CB 3.38Å; E201-F205 PolarHBondContact O-N 3.38Å; D202-F205 PolarHBondContact O-N 3.25Å; F205-H209 WeakPolarHBondContact O-CB 3.48Å; F205-H209 PolarHBondContact O-N 3.48Å
206L93.4Very high95.1Very high45 Ų4558 Ų5824%0.23629%0.293CS..Hα-helixtrans-66-41175.9-70.2173.2000112.7D202 A203 K204 H209 Y210 F243 M331D202-L206 WeakPolarHBondContact O-CG 3.23Å; D202-L206 PolarHBondContact O-N 3.02Å; D202-L206 VanDerWaalsContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.23Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.08Å; L206-H209 PolarHBondContact O-N 3Å; L206-Y210 PolarHBondContact O-N 3.28Å; L206-Y210 VanDerWaalsContact O-N 3.1Å; L206-F243 HydrophobicContact CD1-CE2 3.74Å; L206-F243 HydrophobicContact CD1-CZ 3.42Å; L206-F243 VanDerWaalsContact CD1-CZ 3.42Å; L206-M331 HydrophobicContact CB-SD 4.07Å
207C93.7Very high95.1Very high0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-62.3-47.6177.5-171.80000111.5A203 K204 H209 Y210 Y211 A213 A214 M250 M331A203-C207 WeakPolarHBondContact O-CB 3.29Å; A203-C207 PolarHBondContact O-N 2.88Å; K204-C207 WeakPolarHBondContact O-CB 3.02Å; K204-C207 PolarHBondContact O-N 3.33Å; K204-C207 VanDerWaalsContact O-N 3.13Å; C207-H209 VanDerWaalsContact C-N 3.35Å; C207-Y210 PolarHBondContact O-N 2.88Å; C207-Y211 PolarHBondContact O-N 2.94Å; C207-A213 PolarHBondContact SG-O 3.45Å; C207-A214 HydrophobicContact CB-CB 3.92Å; C207-M250 HydrophobicContact CB-CB 4.29Å; C207-M250 HydrophobicContact CB-SD 4.01Å; C207-M331 HydrophobicContact CB-CE 3.54Å; C207-M331 HydrophobicContact CB-SD 4.42Å
208E94.4Very high95.1Very high85 Ų8561.2 Ų61.240%0.39731%0.307SS..Hα-helixtrans-63.6-39.7176.6-71.6176.3170.200111.6K204 Y210 S212 A214K204-E208 WeakPolarHBondContact CE-OE1 3.45Å; K204-E208 HydrophobicContact CG-CG 4.3Å; K204-E208 WeakPolarHBondContact O-CB 3.29Å; K204-E208 WeakPolarHBondContact O-CG 3.44Å; K204-E208 PolarHBondContact O-N 2.99Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 3.46Å; E208-S212 WeakPolarHBondContact O-CA 3.29Å; E208-S212 PolarHBondContact O-N 3.18Å; E208-A214 HydrophobicContact CG-CB 3.75Å
209H92.6Very high95Very high128 Ų12858.4 Ų58.459%0.59329%0.293SS*.Hα-helixtrans-61.1-38.9175.9-175.576.1000112.5F205 L206 C207F205-H209 WeakPolarHBondContact O-CB 3.48Å; F205-H209 PolarHBondContact O-N 3.48Å; L206-H209 PolarHBondContact O-N 3Å; C207-H209 VanDerWaalsContact C-N 3.35Å
210Y89.7Confident94.9Very high94 Ų9466 Ų6637%0.36932%0.321SS..Hα-helixtrans-86-45.6-176.7-166.5-89.7000113.4L206 C207 E208 E312 M331L206-Y210 PolarHBondContact O-N 3.28Å; L206-Y210 VanDerWaalsContact O-N 3.1Å; C207-Y210 PolarHBondContact O-N 2.88Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 3.46Å; Y210-E312 PolarHBondContact OH-OE1 3.26Å; Y210-E312 PolarHBondContact OH-OE2 3.12Å; Y210-M331 HydrophobicContact CG-CB 4.36Å
211Y90.5Very high94.8Very high55 Ų5565.6 Ų65.622%0.21632%0.32CS..Hα-helixtrans-105.6-4.3-173.3-63.6-71.7000114.4C207 A213 R251 V254 E255 M331C207-Y211 PolarHBondContact O-N 2.94Å; Y211-A213 PolarHBondContact O-N 3.09Å; Y211-A213 VanDerWaalsContact O-N 3.11Å; Y211-R251 HydrophobicContact CE2-CG 4.46Å; Y211-V254 HydrophobicContact CD1-CG1 3.76Å; Y211-V254 HydrophobicContact CD2-CB 4.37Å; Y211-V254 HydrophobicContact CD2-CG1 4.02Å; Y211-V254 HydrophobicContact CE1-CG1 4.45Å; Y211-V254 HydrophobicContact CG-CB 4.36Å; Y211-V254 HydrophobicContact CG-CG1 3.54Å; Y211-E255 HydrophobicContact CE1-CG 4.28Å; Y211-E255 PolarHBondContact OH-OE1 3.39Å; Y211-E255 VanDerWaalsContact OH-OE1 3.11Å; Y211-M331 HydrophobicContact CE2-CG 4.03Å
212S91.2Very high94.4Very high113 Ų11366.1 Ų66.179%0.7932%0.322SS*.SBendtrans59.513.2-171.2-53.90000114.8E208E208-S212 WeakPolarHBondContact O-CA 3.29Å; E208-S212 PolarHBondContact O-N 3.18Å
213A92.7Very high93.8Very high40 Ų4066.3 Ų66.333%0.33133%0.329SS..  trans-154.9153.9177.900000110.5C207 Y211 L263C207-A213 PolarHBondContact SG-O 3.45Å; Y211-A213 PolarHBondContact O-N 3.09Å; Y211-A213 VanDerWaalsContact O-N 3.11Å; A213-L263 HydrophobicContact CB-CD1 4.08Å
214A95.3Very high93.1Very high16 Ų1668 Ų6813%0.13235%0.346CS..  trans-149.2146.1172.300000110.4K204 C207 E208K204-A214 HydrophobicContact CG-CB 3.77Å; C207-A214 HydrophobicContact CB-CB 3.92Å; E208-A214 HydrophobicContact CG-CB 3.75Å
215P96.6Very high92Very high1 Ų172 Ų721%0.00637%0.37CS..  trans-70.3149.5173.430.6-34.8000111.1M250 V253 L263 P264 I266P215-M250 HydrophobicContact CG-CB 4.27Å; P215-M250 HydrophobicContact CG-CG 3.89Å; P215-V253 HydrophobicContact CB-CG1 3.95Å; P215-V253 HydrophobicContact CG-CB 4.26Å; P215-V253 HydrophobicContact CG-CG1 4.11Å; P215-L263 HydrophobicContact CB-CB 4.17Å; P215-P264 WeakPolarHBondContact CB-O 3.48Å; P215-I266 HydrophobicContact CB-CG1 4.33Å; P215-I266 HydrophobicContact CG-CD1 3.68Å; P215-I266 HydrophobicContact CG-CG1 3.94Å
216E96.5Very high91.1Very high112 Ų11273.2 Ų73.252%0.52338%0.382SS..  trans-73.9161.9169.8-65.6-57.8152.100111.7K204 P265 I266K204-E216 IonicContact NZ-OE1 2.68Å; K204-E216 PolarHBondContact NZ-OE1 3.12Å; K204-E216 IonicContact NZ-OE2 3.32Å; K204-E216 PolarHBondContact NZ-OE2 3.41Å; E216-P265 CarbonylContact O-C 3.55Å; E216-P265 WeakPolarHBondContact O-CA 3.36Å; E216-P265 WeakPolarHBondContact O-CB 3.44Å; E216-I266 PolarHBondContact O-N 3.18Å
217M97.3Very high90.6Very high29 Ų2972.7 Ų72.714%0.14339%0.385CS..EExtended strand (participates in β ladder)trans-112.4124.8177.4-177.7178.563.200111.8L196 H200 V219 L246 I266 V268L196-M217 HydrophobicContact CD1-SD 4.08Å; L196-M217 HydrophobicContact CD2-CE 4.29Å; L196-M217 HydrophobicContact CD2-SD 4.14Å; L196-M217 HydrophobicContact CG-CE 4.07Å; L196-M217 HydrophobicContact CG-SD 4Å; H200-M217 HydrophobicContact CB-CE 3.53Å; H200-M217 HydrophobicContact CB-SD 3.93Å; H200-M217 VanDerWaalsContact CG-CE 3.49Å; H200-M217 WeakPolarHBondContact NE2-CB 3.15Å; M217-V219 HydrophobicContact CE-CG2 3.6Å; M217-V219 HydrophobicContact CG-CG2 3.78Å; M217-V219 HydrophobicContact SD-CG2 3.84Å; M217-L246 HydrophobicContact SD-CD2 4.2Å; M217-I266 CarbonylContact C-O 3.58Å; M217-I266 WeakPolarHBondContact CA-O 3.48Å; M217-V268 HydrophobicContact CG-CG2 3.87Å; M217-V268 HydrophobicContact SD-CG2 3.74Å
218E96.9Very high90.4Very high85 Ų8579.4 Ų79.440%0.39741%0.414SS..EExtended strand (participates in β ladder)trans-103.3111.1172.2-72.8-179.1-172.800110.1P265 I266 K267 V268E218-P265 HydrophobicContact CG-CB 4.01Å; E218-P265 HydrophobicContact CG-CG 4.22Å; E218-P265 WeakPolarHBondContact OE1-CG 3.46Å; E218-I266 PolarHBondContact N-O 3.17Å; E218-K267 HydrophobicContact CB-CG 4.33Å; E218-K267 CarbonylContact O-C 3.47Å; E218-K267 WeakPolarHBondContact O-CA 3.09Å; E218-K267 WeakPolarHBondContact OE2-CE 3.44Å; E218-V268 PolarHBondContact O-N 2.88Å
219V96.5Very high90.3Very high23 Ų2375.8 Ų75.814%0.13940%0.397CS..EExtended strand (participates in β ladder)trans-103.9131.8-179.1-173.40000110.9R193 L196 M217 V268 I270R193-V219 VanDerWaalsContact NH1-CB 3.28Å; L196-V219 HydrophobicContact CD2-CG1 3.93Å; L196-V219 HydrophobicContact CD2-CG2 3.79Å; M217-V219 HydrophobicContact CE-CG2 3.6Å; M217-V219 HydrophobicContact CG-CG2 3.78Å; M217-V219 HydrophobicContact SD-CG2 3.84Å; V219-V268 CarbonylContact C-O 3.55Å; V219-V268 WeakPolarHBondContact CA-O 3.4Å; V219-V268 HydrophobicContact CG1-CB 4.47Å; V219-V268 HydrophobicContact CG2-CB 4.28Å; V219-I270 HydrophobicContact CG1-CD1 4.01Å; V219-I270 HydrophobicContact CG1-CG1 4.5Å
220R95.7Very high90.4Very high160 Ų16073.6 Ų73.660%0.60439%0.387SS*.EExtended strand (participates in β ladder)trans-122.4135.4171.5-64.4-174.3-176.1-175-0.3110.4V268 L269 I270R220-V268 PolarHBondContact N-O 3.24Å; R220-L269 HydrophobicContact CB-CD1 4.37Å; R220-L269 WeakPolarHBondContact O-CA 3.13Å; R220-I270 PolarHBondContact O-N 2.99Å
221V94.8Very high90.7Very high9 Ų969.7 Ų69.76%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-108.1122.7174-177.80000108.4S223 G224 A227 V229 I270V221-S223 PolarHBondContact O-N 3.33Å; V221-S223 VanDerWaalsContact O-N 3.15Å; V221-G224 WeakPolarHBondContact CB-O 3.38Å; V221-G224 CarbonylContact O-C 3.5Å; V221-G224 PolarHBondContact O-N 3.34Å; V221-A227 HydrophobicContact CG1-CB 4.12Å; V221-V229 HydrophobicContact CG1-CG2 3.78Å; V221-I270 WeakPolarHBondContact CA-O 3.31Å; V221-I270 HydrophobicContact CG2-CB 4.38Å; V221-I270 HydrophobicContact CG2-CD1 4.36Å
222H90.3Very high91Very high142 Ų14268.5 Ų68.566%0.65737%0.371SS*.THydrogen-bonded Turntrans-57.8-33.3-174.2179.163.4000113.3G224 L269 I270 A271H222-G224 PolarHBondContact O-N 3.41Å; H222-L269 HydrophobicContact CB-CD1 4.49Å; H222-I270 PolarHBondContact N-O 3.48Å; H222-A271 HydrophobicContact CB-CB 4Å
223S83.9Confident91.3Very high80 Ų8063.2 Ų63.256%0.55933%0.334SS*.THydrogen-bonded Turntrans-77.42.6178.5-56.90000114.3V221V221-S223 PolarHBondContact O-N 3.33Å; V221-S223 VanDerWaalsContact O-N 3.15Å
224G81.9Confident91.5Very high34 Ų3461.3 Ų61.335%0.35132%0.318SS..  trans116.3146.4-17600000111.5V221 H222 N226 A227V221-G224 WeakPolarHBondContact CB-O 3.38Å; V221-G224 CarbonylContact O-C 3.5Å; V221-G224 PolarHBondContact O-N 3.34Å; H222-G224 PolarHBondContact O-N 3.41Å; G224-N226 PolarHBondContact O-N 2.89Å; G224-A227 WeakPolarHBondContact O-CB 3.28Å; G224-A227 PolarHBondContact O-N 3.42Å
225D71.7Confident91.6Very high123 Ų12361.1 Ų61.166%0.65832%0.315SS*.THydrogen-bonded Turntrans-60.4-25.4-167.8-63.9-31.1000114.7
226N76.9Confident91.6Very high164 Ų16464.5 Ų64.588%0.87734%0.339SS*.THydrogen-bonded Turntrans-100.34.2177.2-67.5-18.4000113.7G224 K228G224-N226 PolarHBondContact O-N 2.89Å; N226-K228 PolarHBondContact O-N 2.96Å
227A83.7Confident91.6Very high34 Ų3459.7 Ų59.728%0.28132%0.316SS..  trans-72.9127.7179.600000110.1V221 G224V221-A227 HydrophobicContact CG1-CB 4.12Å; G224-A227 WeakPolarHBondContact O-CB 3.28Å; G224-A227 PolarHBondContact O-N 3.42Å
228K88.5Confident91.7Very high141 Ų14158.3 Ų58.361%0.61331%0.31SS*.  trans-80.1131.4171.7-60.2-164.3-177.4-1670109.9N226 E230N226-K228 PolarHBondContact O-N 2.96Å; K228-E230 HydrophobicContact CB-CG 4.2Å; K228-E230 WeakPolarHBondContact CD-OE1 3.26Å; K228-E230 IonicContact NZ-OE1 2.62Å
229V93Very high91.7Very high8 Ų857.5 Ų57.55%0.04830%0.303CS..  trans-104.495171.6177.20000107.5V192 V221 I270 T272 V277V192-V229 HydrophobicContact CB-CB 4.41Å; V192-V229 HydrophobicContact CB-CG1 4.4Å; V192-V229 HydrophobicContact CG2-CB 4.37Å; V192-V229 HydrophobicContact CG2-CG1 3.87Å; V192-V229 PolarHBondContact N-O 3.37Å; V221-V229 HydrophobicContact CG1-CG2 3.78Å; V229-I270 HydrophobicContact CB-CG2 4.04Å; V229-I270 HydrophobicContact CG1-CG2 4.09Å; V229-I270 HydrophobicContact CG2-CG2 3.84Å; V229-T272 WeakPolarHBondContact CG1-OG1 3.45Å; V229-T272 WeakPolarHBondContact CG2-OG1 3.48Å; V229-V277 HydrophobicContact CG1-CG1 3.88Å; V229-V277 HydrophobicContact CG1-CG2 4.34Å
230E94.4Very high91.7Very high83 Ų8358.8 Ų58.839%0.38831%0.308SS..EExtended strand (participates in β ladder)trans-113.4135.8-178.6-68.3171175.300109.8C190 N191 K228C190-E230 WeakPolarHBondContact O-CA 3.23Å; N191-E230 HydrophobicContact CB-CG 4.02Å; K228-E230 HydrophobicContact CB-CG 4.2Å; K228-E230 WeakPolarHBondContact CD-OE1 3.26Å; K228-E230 IonicContact NZ-OE1 2.62Å
231F96.1Very high91.9Very high11 Ų1151.1 Ų51.15%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-158166.6176.574.5-59.3000110.2C190 V192 Y233 V277 L368C190-F231 WeakPolarHBondContact CA-O 3.26Å; C190-F231 WeakPolarHBondContact CB-O 3.49Å; C190-F231 PolarHBondContact N-O 2.81Å; C190-F231 PolarHBondContact O-N 3.04Å; V192-F231 HydrophobicContact CG2-CD1 4.06Å; V192-F231 HydrophobicContact CG2-CE1 3.6Å; F231-Y233 HydrophobicContact CD2-CD2 4.44Å; F231-Y233 HydrophobicContact CE1-CG 4.47Å; F231-Y233 AromaticContact CE2-CD2 3.45Å; F231-Y233 HydrophobicContact CE2-CD2 3.45Å; F231-Y233 VanDerWaalsContact CE2-CD2 3.45Å; F231-Y233 HydrophobicContact CE2-CE2 4.3Å; F231-Y233 AromaticContact CE2-CG 3.68Å; F231-Y233 HydrophobicContact CE2-CG 3.68Å; F231-Y233 HydrophobicContact CZ-CD1 4.19Å; F231-Y233 AromaticContact CZ-CD2 3.78Å; F231-Y233 HydrophobicContact CZ-CD2 3.78Å; F231-Y233 AromaticContact CZ-CG 3.55Å; F231-Y233 HydrophobicContact CZ-CG 3.55Å; F231-Y233 PolarHBondContact O-N 3.12Å; F231-V277 HydrophobicContact CB-CG2 4.42Å; F231-V277 HydrophobicContact CD1-CG2 4.15Å; F231-V277 HydrophobicContact CD2-CG2 4.16Å; F231-V277 HydrophobicContact CE1-CG1 4.46Å; F231-V277 HydrophobicContact CE2-CG2 4.48Å; F231-V277 HydrophobicContact CG-CG2 3.99Å; F231-L368 HydrophobicContact CE2-CB 4.1Å; F231-L368 HydrophobicContact CE2-CD1 4.37Å; F231-L368 HydrophobicContact CZ-CB 4.24Å; F231-L368 HydrophobicContact CZ-CD1 3.74Å
232V96.9Very high92Very high31 Ų3150.7 Ų50.719%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-72.2116.8177.2170.80000109.8L31 I35 I186 P188 A372L31-V232 HydrophobicContact CB-CG1 3.96Å; L31-V232 HydrophobicContact CD1-CG1 4.27Å; L31-V232 WeakPolarHBondContact CD1-O 3.3Å; I35-V232 HydrophobicContact CD1-CB 4.26Å; I35-V232 HydrophobicContact CD1-CG1 3.33Å; I35-V232 HydrophobicContact CD1-CG2 3.94Å; I35-V232 HydrophobicContact CG1-CG1 4.31Å; I186-V232 HydrophobicContact CG2-CG1 3.84Å; P188-V232 VanDerWaalsContact O-CG2 3.32Å; P188-V232 WeakPolarHBondContact O-CG2 3.32Å; V232-A372 HydrophobicContact CB-CB 3.78Å; V232-A372 HydrophobicContact CG1-CB 3.8Å; V232-A372 HydrophobicContact CG2-CB 4.05Å
233Y97.7Very high92.4Very high2 Ų245.3 Ų45.31%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-156.4176.2175.7-149.9-110.1000113.1L31 I186 D187 F231 P235 H237 L238 F348 L368L31-Y233 HydrophobicContact CD1-CD2 3.9Å; L31-Y233 HydrophobicContact CD1-CE2 4.41Å; I186-Y233 WeakPolarHBondContact CG2-O 3.48Å; D187-Y233 PolarHBondContact N-O 3.02Å; D187-Y233 PolarHBondContact O-N 2.87Å; F231-Y233 HydrophobicContact CD2-CD2 4.44Å; F231-Y233 HydrophobicContact CE1-CG 4.47Å; F231-Y233 AromaticContact CE2-CD2 3.45Å; F231-Y233 HydrophobicContact CE2-CD2 3.45Å; F231-Y233 VanDerWaalsContact CE2-CD2 3.45Å; F231-Y233 HydrophobicContact CE2-CE2 4.3Å; F231-Y233 AromaticContact CE2-CG 3.68Å; F231-Y233 HydrophobicContact CE2-CG 3.68Å; F231-Y233 HydrophobicContact CZ-CD1 4.19Å; F231-Y233 AromaticContact CZ-CD2 3.78Å; F231-Y233 HydrophobicContact CZ-CD2 3.78Å; F231-Y233 AromaticContact CZ-CG 3.55Å; F231-Y233 HydrophobicContact CZ-CG 3.55Å; F231-Y233 PolarHBondContact O-N 3.12Å; Y233-P235 WeakPolarHBondContact O-CD 3.26Å; Y233-H237 HydrophobicContact CE1-CB 4.13Å; Y233-L238 HydrophobicContact CD1-CB 3.94Å; Y233-L238 HydrophobicContact CE1-CB 4.06Å; Y233-F348 HydrophobicContact CE2-CB 4.36Å; Y233-F348 HydrophobicContact CE2-CD2 4.24Å; Y233-L368 HydrophobicContact CD1-CD1 4.48Å; Y233-L368 HydrophobicContact CE1-CD1 4.1Å; Y233-L368 HydrophobicContact CE1-CD2 4.44Å; Y233-L368 HydrophobicContact CE2-CB 4.5Å; Y233-L368 HydrophobicContact CE2-CD1 4.33Å; Y233-L368 HydrophobicContact CE2-CD2 4.08Å; Y233-L368 VanDerWaalsContact OH-CD2 3.31Å; Y233-L368 WeakPolarHBondContact OH-CD2 3.14Å
234V97.2Very high93Very high0 Ų042.6 Ų42.60%023%0.229CC..  trans-97.1106.6173.7-179.40000108.4L31 M163 I186 S236 H237 L238 F348L31-V234 HydrophobicContact CD2-CG2 4.2Å; M163-V234 HydrophobicContact CE-CG2 3.55Å; M163-V234 HydrophobicContact SD-CG2 3.97Å; I186-V234 HydrophobicContact CG1-CG2 3.87Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 WeakPolarHBondContact CG1-OG 3.37Å; V234-S236 PolarHBondContact O-N 2.95Å; V234-H237 HydrophobicContact CB-CB 4.11Å; V234-H237 HydrophobicContact CG1-CB 4.22Å; V234-H237 VanDerWaalsContact CG1-CD2 3.49Å; V234-H237 WeakPolarHBondContact CG1-CD2 3.43Å; V234-H237 WeakPolarHBondContact O-CB 3.39Å; V234-H237 PolarHBondContact O-N 3.41Å; V234-L238 PolarHBondContact O-N 2.82Å; V234-F348 HydrophobicContact CG2-CE2 4.03Å
235P96.8Very high93.7Very high11 Ų1141.3 Ų41.37%0.07122%0.215CC..Hα-helixtrans-55.1-41.3-174.1-29.537.1000113.5Y182 S185 D187 I195 Y233 H237 L238 Y239Y182-P235 HydrophobicContact CE2-CG 4.26Å; S185-P235 WeakPolarHBondContact O-CD 3.24Å; D187-P235 HydrophobicContact CB-CG 3.64Å; I195-P235 HydrophobicContact CD1-CB 3.83Å; I195-P235 HydrophobicContact CG1-CB 4.45Å; Y233-P235 WeakPolarHBondContact O-CD 3.26Å; P235-H237 VanDerWaalsContact C-N 3.31Å; P235-H237 PolarHBondContact O-N 3.24Å; P235-L238 PolarHBondContact O-N 3.06Å; P235-Y239 WeakPolarHBondContact O-CB 3.43Å; P235-Y239 PolarHBondContact O-N 3.05Å
236S95.9Very high94.9Very high72 Ų7235.5 Ų35.550%0.50318%0.183SC..Hα-helixtrans-66.3-29-18059.20000113.9V234 H240V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 WeakPolarHBondContact CG1-OG 3.37Å; V234-S236 PolarHBondContact O-N 2.95Å; S236-H240 WeakPolarHBondContact O-CB 3.38Å; S236-H240 PolarHBondContact O-N 3.04Å; S236-H240 VanDerWaalsContact O-N 3.13Å
237H97.7Very high95.8Very high12 Ų1228.7 Ų28.76%0.05615%0.146CC..Hα-helixtrans-71.9-45.1174.3-68.6-166.4000110.3Y233 V234 P235 H240 I241 Y344 Y347Y233-H237 HydrophobicContact CE1-CB 4.13Å; V234-H237 HydrophobicContact CB-CB 4.11Å; V234-H237 HydrophobicContact CG1-CB 4.22Å; V234-H237 VanDerWaalsContact CG1-CD2 3.49Å; V234-H237 WeakPolarHBondContact CG1-CD2 3.43Å; V234-H237 WeakPolarHBondContact O-CB 3.39Å; V234-H237 PolarHBondContact O-N 3.41Å; P235-H237 VanDerWaalsContact C-N 3.31Å; P235-H237 PolarHBondContact O-N 3.24Å; H237-H240 PolarHBondContact O-N 3.38Å; H237-I241 WeakPolarHBondContact O-CG1 3.5Å; H237-I241 PolarHBondContact O-N 2.85Å; H237-I241 VanDerWaalsContact O-N 3.17Å; H237-Y344 HydrophobicContact CB-CD1 3.94Å; H237-Y344 AromaticContact CD2-CD1 3.87Å; H237-Y344 AromaticContact CD2-CE1 3.66Å; H237-Y344 AromaticContact CG-CD1 3.63Å; H237-Y344 AromaticContact CG-CE1 3.93Å; H237-Y344 AromaticContact ND1-CD1 3.84Å; H237-Y344 AromaticContact NE2-CE1 3.86Å; H237-Y347 AromaticContact CE1-CD1 3.95Å; H237-Y347 AromaticContact CE1-CE1 3.94Å
238L98.3Very high96.3Very high0 Ų029.5 Ų29.50%015%0.145CC..Hα-helixtrans-62.6-47.1177178.459000111V192 I195 Y233 V234 P235 H240 I241 L242 I279 L368V192-L238 HydrophobicContact CG2-CD2 4.33Å; I195-L238 HydrophobicContact CB-CD2 4Å; I195-L238 HydrophobicContact CB-CG 4.31Å; I195-L238 HydrophobicContact CG1-CD2 4.25Å; I195-L238 HydrophobicContact CG2-CB 4.08Å; I195-L238 HydrophobicContact CG2-CD2 4.03Å; I195-L238 HydrophobicContact CG2-CG 3.79Å; Y233-L238 HydrophobicContact CD1-CB 3.94Å; Y233-L238 HydrophobicContact CE1-CB 4.06Å; V234-L238 PolarHBondContact O-N 2.82Å; P235-L238 PolarHBondContact O-N 3.06Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 3.17Å; L238-I241 PolarHBondContact O-N 3.37Å; L238-L242 HydrophobicContact CD1-CD1 3.81Å; L238-L242 HydrophobicContact CD1-CD2 4.37Å; L238-L242 HydrophobicContact CD1-CG 3.9Å; L238-L242 HydrophobicContact CD2-CD1 4.5Å; L238-L242 HydrophobicContact CG-CD1 3.84Å; L238-L242 HydrophobicContact CG-CG 4.3Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 2.95Å; L238-I279 HydrophobicContact CD1-CD1 3.74Å; L238-L368 HydrophobicContact CD1-CD1 3.92Å
239Y98.3Very high96.8Very high68 Ų6822.9 Ų22.927%0.26712%0.117SC..Hα-helixtrans-53.1-50.2175.5174.9-86000111D198 A199 D202 P235 I241 L242 F243D198-Y239 HydrophobicContact CB-CD2 4.41Å; D198-Y239 HydrophobicContact CB-CE2 4.36Å; A199-Y239 HydrophobicContact CB-CD2 3.9Å; A199-Y239 HydrophobicContact CB-CE2 4.02Å; D202-Y239 WeakPolarHBondContact CB-OH 3.35Å; D202-Y239 WeakPolarHBondContact OD2-CE2 3.3Å; D202-Y239 PolarHBondContact OD2-OH 3.43Å; P235-Y239 WeakPolarHBondContact O-CB 3.43Å; P235-Y239 PolarHBondContact O-N 3.05Å; Y239-I241 VanDerWaalsContact C-N 3.34Å; Y239-I241 PolarHBondContact O-N 3.39Å; Y239-L242 PolarHBondContact O-N 3.25Å; Y239-F243 HydrophobicContact CD1-CB 4.42Å; Y239-F243 HydrophobicContact CE1-CB 4.1Å; Y239-F243 HydrophobicContact CE1-CG 4.29Å; Y239-F243 WeakPolarHBondContact O-CB 3.34Å; Y239-F243 PolarHBondContact O-N 3.49Å
240H96.7Very high96.9Very high49 Ų4922.5 Ų22.523%0.22712%0.115CC..Hα-helixtrans-58.7-43.8-180-177.680.9000112.6S236 H237 L238 E244 Y344S236-H240 WeakPolarHBondContact O-CB 3.38Å; S236-H240 PolarHBondContact O-N 3.04Å; S236-H240 VanDerWaalsContact O-N 3.13Å; H237-H240 PolarHBondContact O-N 3.38Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 3.17Å; H240-E244 WeakPolarHBondContact O-CB 3.44Å; H240-E244 WeakPolarHBondContact O-CG 3.43Å; H240-E244 PolarHBondContact O-N 3.23Å; H240-E244 VanDerWaalsContact O-N 3.13Å; H240-Y344 AromaticContact CD2-CD2 3.26Å; H240-Y344 WeakPolarHBondContact CD2-CD2 3.28Å; H240-Y344 AromaticContact CD2-CE2 3.26Å; H240-Y344 WeakPolarHBondContact CD2-CE2 3.38Å; H240-Y344 AromaticContact CG-CE2 3.88Å; H240-Y344 AromaticContact NE2-CD2 3.81Å; H240-Y344 AromaticContact NE2-CE2 3.53Å
241I98.3Very high96.9Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-60.7-51.7177.2-64.1164.4000110.3H237 L238 Y239 L245 A345 V366H237-I241 WeakPolarHBondContact O-CG1 3.5Å; H237-I241 PolarHBondContact O-N 2.85Å; H237-I241 VanDerWaalsContact O-N 3.17Å; L238-I241 PolarHBondContact O-N 3.37Å; Y239-I241 VanDerWaalsContact C-N 3.34Å; Y239-I241 PolarHBondContact O-N 3.39Å; I241-L245 HydrophobicContact CG2-CD1 3.9Å; I241-L245 WeakPolarHBondContact O-CB 3.49Å; I241-L245 VanDerWaalsContact O-CG 3.22Å; I241-L245 WeakPolarHBondContact O-CG 3.28Å; I241-L245 PolarHBondContact O-N 3.04Å; I241-L245 VanDerWaalsContact O-N 3.12Å; I241-A345 HydrophobicContact CD1-CB 4.08Å; I241-V366 HydrophobicContact CG2-CG1 4.12Å; I241-V366 HydrophobicContact CG2-CG2 3.58Å
242L98.4Very high96.9Very high0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-66.8-45.1-175.3-63.4179.3000111.6I195 L196 A199 L238 Y239 E244 L245 L246 I279 I281I195-L242 HydrophobicContact CG2-CD1 4.36Å; L196-L242 HydrophobicContact CB-CD1 3.96Å; L196-L242 HydrophobicContact CD1-CD1 4.03Å; L196-L242 HydrophobicContact CD1-CD2 4.31Å; A199-L242 HydrophobicContact CB-CB 3.9Å; L238-L242 HydrophobicContact CD1-CD1 3.81Å; L238-L242 HydrophobicContact CD1-CD2 4.37Å; L238-L242 HydrophobicContact CD1-CG 3.9Å; L238-L242 HydrophobicContact CD2-CD1 4.5Å; L238-L242 HydrophobicContact CG-CD1 3.84Å; L238-L242 HydrophobicContact CG-CG 4.3Å; L238-L242 WeakPolarHBondContact O-CG 3.22Å; L238-L242 PolarHBondContact O-N 2.95Å; Y239-L242 PolarHBondContact O-N 3.25Å; L242-E244 PolarHBondContact O-N 2.99Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.2Å; L242-L246 PolarHBondContact O-N 2.86Å; L242-I279 HydrophobicContact CD2-CD1 4.07Å; L242-I279 HydrophobicContact CD2-CG2 3.95Å; L242-I281 HydrophobicContact CD2-CD1 4.08Å
243F97.4Very high96.9Very high29 Ų2919.1 Ų19.113%0.12710%0.1CC..Hα-helixtrans-57.5-49.8178172.3-97.9000111.5A199 D202 A203 L206 Y239 L245 L246 K247A199-F243 HydrophobicContact CB-CB 4.1Å; D202-F243 HydrophobicContact CB-CD2 4.16Å; D202-F243 HydrophobicContact CB-CE2 4.04Å; A203-F243 HydrophobicContact CB-CD2 4.07Å; A203-F243 HydrophobicContact CB-CE2 4.22Å; L206-F243 HydrophobicContact CD1-CE2 3.74Å; L206-F243 HydrophobicContact CD1-CZ 3.42Å; L206-F243 VanDerWaalsContact CD1-CZ 3.42Å; Y239-F243 HydrophobicContact CD1-CB 4.42Å; Y239-F243 HydrophobicContact CE1-CB 4.1Å; Y239-F243 HydrophobicContact CE1-CG 4.29Å; Y239-F243 WeakPolarHBondContact O-CB 3.34Å; Y239-F243 PolarHBondContact O-N 3.49Å; F243-L245 PolarHBondContact O-N 2.99Å; F243-L246 PolarHBondContact O-N 3.39Å; F243-K247 HydrophobicContact CE1-CD 4.39Å; F243-K247 HydrophobicContact CZ-CD 4.49Å; F243-K247 WeakPolarHBondContact O-CB 3.27Å; F243-K247 PolarHBondContact O-N 2.98Å
244E96.2Very high96.8Very high22 Ų2219.6 Ų19.610%0.10310%0.104CC..Hα-helixtrans-65.1-37.6179.2-73.4-62.312700112.5H240 L242 K247 N248 G337 S341H240-E244 WeakPolarHBondContact O-CB 3.44Å; H240-E244 WeakPolarHBondContact O-CG 3.43Å; H240-E244 PolarHBondContact O-N 3.23Å; H240-E244 VanDerWaalsContact O-N 3.13Å; L242-E244 PolarHBondContact O-N 2.99Å; E244-K247 IonicContact OE1-NZ 3.11Å; E244-K247 PolarHBondContact OE1-NZ 2.82Å; E244-K247 WeakPolarHBondContact OE2-CE 3.31Å; E244-K247 IonicContact OE2-NZ 2.78Å; E244-K247 PolarHBondContact OE2-NZ 2.99Å; E244-N248 VanDerWaalsContact O-CG 3.26Å; E244-N248 PolarHBondContact O-N 3.07Å; E244-N248 VanDerWaalsContact O-N 3.15Å; E244-N248 PolarHBondContact O-ND2 3.44Å; E244-G337 VanDerWaalsContact OE2-CA 3.24Å; E244-G337 WeakPolarHBondContact OE2-CA 3.23Å; E244-S341 WeakPolarHBondContact CB-OG 2.96Å
245L97.5Very high96.6Very high8 Ų823.6 Ų23.64%0.04212%0.123CC..Hα-helixtrans-68.7-45.3176.9-70177.3000112.1I241 L242 F243 N248 A249 I281 L338 L352 A364 V366I241-L245 HydrophobicContact CG2-CD1 3.9Å; I241-L245 WeakPolarHBondContact O-CB 3.49Å; I241-L245 VanDerWaalsContact O-CG 3.22Å; I241-L245 WeakPolarHBondContact O-CG 3.28Å; I241-L245 PolarHBondContact O-N 3.04Å; I241-L245 VanDerWaalsContact O-N 3.12Å; L242-L245 PolarHBondContact O-N 3.3Å; F243-L245 PolarHBondContact O-N 2.99Å; L245-N248 PolarHBondContact O-N 3.48Å; L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 3.28Å; L245-I281 HydrophobicContact CB-CD1 3.77Å; L245-I281 HydrophobicContact CD1-CD1 4.09Å; L245-L338 HydrophobicContact CD2-CD2 3.62Å; L245-L352 HydrophobicContact CD1-CD1 3.87Å; L245-L352 HydrophobicContact CD2-CD1 4.17Å; L245-L352 HydrophobicContact CD2-CD2 4.09Å; L245-A364 HydrophobicContact CD1-CB 4.14Å; L245-A364 HydrophobicContact CD2-CB 3.85Å; L245-A364 HydrophobicContact CG-CB 4.5Å; L245-V366 HydrophobicContact CD1-CG2 3.58Å
246L97.8Very high96.6Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-63.2-44.4177.7-72.6167.4000111L196 A199 H200 A203 M217 L242 F243 N248 A249 M250 I266 I281L196-L246 HydrophobicContact CD1-CD1 4.02Å; A199-L246 HydrophobicContact CB-CD1 4.22Å; H200-L246 HydrophobicContact CB-CD1 3.9Å; A203-L246 HydrophobicContact CB-CB 4.04Å; M217-L246 HydrophobicContact SD-CD2 4.2Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.2Å; L242-L246 PolarHBondContact O-N 2.86Å; F243-L246 PolarHBondContact O-N 3.39Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.19Å; L246-A249 PolarHBondContact O-N 3.32Å; L246-M250 WeakPolarHBondContact O-CB 3.44Å; L246-M250 WeakPolarHBondContact O-CG 3.24Å; L246-M250 PolarHBondContact O-N 2.97Å; L246-I266 HydrophobicContact CD2-CG2 4.26Å; L246-I281 HydrophobicContact CD2-CD1 4.32Å; L246-I281 HydrophobicContact CD2-CG2 4.26Å; L246-I281 HydrophobicContact CG-CD1 4.24Å
247K95.4Very high96.5Very high21 Ų2127.5 Ų27.59%0.09113%0.127CC..Hα-helixtrans-55.7-46.6174.3-171.5-175.469.8-167.60111.9F243 E244 R251 M331F243-K247 HydrophobicContact CE1-CD 4.39Å; F243-K247 HydrophobicContact CZ-CD 4.49Å; F243-K247 WeakPolarHBondContact O-CB 3.27Å; F243-K247 PolarHBondContact O-N 2.98Å; E244-K247 IonicContact OE1-NZ 3.11Å; E244-K247 PolarHBondContact OE1-NZ 2.82Å; E244-K247 WeakPolarHBondContact OE2-CE 3.31Å; E244-K247 IonicContact OE2-NZ 2.78Å; E244-K247 PolarHBondContact OE2-NZ 2.99Å; K247-R251 WeakPolarHBondContact O-CB 3.46Å; K247-R251 PolarHBondContact O-N 2.99Å; K247-M331 HydrophobicContact CB-CE 4.26Å; K247-M331 VanDerWaalsContact CD-O 3.31Å; K247-M331 WeakPolarHBondContact CD-O 3.35Å; K247-M331 HydrophobicContact CD-SD 4.23Å; K247-M331 VanDerWaalsContact CE-O 3.27Å; K247-M331 WeakPolarHBondContact CE-O 3.11Å; K247-M331 HydrophobicContact CG-CE 3.51Å; K247-M331 HydrophobicContact CG-CG 4.19Å; K247-M331 HydrophobicContact CG-SD 3.55Å; K247-M331 VanDerWaalsContact CG-SD 3.55Å; K247-M331 WeakPolarHBondContact O-CE 3.45Å
248N94.6Very high96.1Very high51 Ų5131.7 Ų31.727%0.27316%0.158SC..Hα-helixtrans-65.4-43.4177.6-72.1-39.7000112.4E244 L245 L246 R251 A252E244-N248 VanDerWaalsContact O-CG 3.26Å; E244-N248 PolarHBondContact O-N 3.07Å; E244-N248 VanDerWaalsContact O-N 3.15Å; E244-N248 PolarHBondContact O-ND2 3.44Å; L245-N248 PolarHBondContact O-N 3.48Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.19Å; N248-R251 PolarHBondContact O-N 3.04Å; N248-A252 WeakPolarHBondContact O-CB 3.48Å; N248-A252 PolarHBondContact O-N 2.85Å
249A97.1Very high95.7Very high3 Ų337.3 Ų37.33%0.02520%0.197CC..Hα-helixtrans-63.2-46.2177.300000111.9L245 L246 A252 V253 I266 D283L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 3.28Å; L246-A249 PolarHBondContact O-N 3.32Å; A249-A252 PolarHBondContact O-N 2.94Å; A249-V253 WeakPolarHBondContact O-CG2 3.38Å; A249-V253 PolarHBondContact O-N 2.72Å; A249-I266 HydrophobicContact CB-CD1 3.75Å; A249-I266 HydrophobicContact CB-CG1 4.3Å; A249-D283 HydrophobicContact CB-CB 3.91Å
250M96.8Very high95.2Very high0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-59.7-48.7177.1-73.3175.8175.600111H200 A203 K204 C207 P215 L246 A252 V253 V254 I266 M331H200-M250 VanDerWaalsContact CD2-CE 3.42Å; H200-M250 WeakPolarHBondContact CD2-CE 3.41Å; A203-M250 VanDerWaalsContact C-SD 3.5Å; A203-M250 HydrophobicContact CB-CE 4.13Å; A203-M250 HydrophobicContact CB-SD 3.8Å; K204-M250 HydrophobicContact CB-CE 3.9Å; C207-M250 HydrophobicContact CB-CB 4.29Å; C207-M250 HydrophobicContact CB-SD 4.01Å; P215-M250 HydrophobicContact CG-CB 4.27Å; P215-M250 HydrophobicContact CG-CG 3.89Å; L246-M250 WeakPolarHBondContact O-CB 3.44Å; L246-M250 WeakPolarHBondContact O-CG 3.24Å; L246-M250 PolarHBondContact O-N 2.97Å; M250-A252 PolarHBondContact O-N 2.87Å; M250-V253 PolarHBondContact O-N 3.11Å; M250-V254 VanDerWaalsContact O-CG2 3.28Å; M250-V254 WeakPolarHBondContact O-CG2 3.41Å; M250-V254 PolarHBondContact O-N 3.47Å; M250-I266 HydrophobicContact CB-CD1 4.34Å; M250-I266 HydrophobicContact CG-CD1 3.5Å; M250-I266 VanDerWaalsContact CG-CD1 3.5Å; M250-M331 HydrophobicContact CB-CE 4.08Å
251R94.4Very high94.7Very high27 Ų2741.4 Ų41.410%0.10223%0.231CC..Hα-helixtrans-55.4-50.9175.3175.8175.7-176.6-147.6-7.5111.7Y211 K247 N248 V253 V254 E255 M331Y211-R251 HydrophobicContact CE2-CG 4.46Å; K247-R251 WeakPolarHBondContact O-CB 3.46Å; K247-R251 PolarHBondContact O-N 2.99Å; N248-R251 PolarHBondContact O-N 3.04Å; R251-V253 VanDerWaalsContact C-N 3.34Å; R251-V253 PolarHBondContact O-N 2.77Å; R251-V254 PolarHBondContact O-N 3.13Å; R251-E255 HydrophobicContact CG-CG 4.32Å; R251-E255 WeakPolarHBondContact CG-OE1 3.46Å; R251-E255 IonicContact CZ-OE1 3.4Å; R251-E255 VanDerWaalsContact CZ-OE1 3.28Å; R251-E255 IonicContact NE-OE1 2.78Å; R251-E255 PolarHBondContact NE-OE1 3.22Å; R251-E255 IonicContact NE-OE2 3.56Å; R251-E255 IonicContact NH2-OE1 3.45Å; R251-E255 PolarHBondContact NH2-OE1 3.13Å; R251-E255 IonicContact NH2-OE2 2.83Å; R251-E255 WeakPolarHBondContact O-CB 3.44Å; R251-E255 WeakPolarHBondContact O-CG 3.45Å; R251-E255 PolarHBondContact O-N 3.39Å; R251-M331 HydrophobicContact CB-CG 4.39Å
252A95.3Very high94.4Very high26 Ų2649.2 Ų49.222%0.21527%0.268CS..Hα-helixtrans-61.6-41.9-178.300000112.1N248 A249 M250 Y256 G285N248-A252 WeakPolarHBondContact O-CB 3.48Å; N248-A252 PolarHBondContact O-N 2.85Å; A249-A252 PolarHBondContact O-N 2.94Å; M250-A252 PolarHBondContact O-N 2.87Å; A252-Y256 WeakPolarHBondContact O-CB 3.34Å; A252-Y256 PolarHBondContact O-N 3.35Å; A252-G285 WeakPolarHBondContact O-CA 3.44Å
253V97.2Very high94.3Very high0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-64.7-47.2177.61700000111.5P215 A249 M250 R251 H257 L263 P264 D283P215-V253 HydrophobicContact CB-CG1 3.95Å; P215-V253 HydrophobicContact CG-CB 4.26Å; P215-V253 HydrophobicContact CG-CG1 4.11Å; A249-V253 WeakPolarHBondContact O-CG2 3.38Å; A249-V253 PolarHBondContact O-N 2.72Å; M250-V253 PolarHBondContact O-N 3.11Å; R251-V253 VanDerWaalsContact C-N 3.34Å; R251-V253 PolarHBondContact O-N 2.77Å; V253-H257 WeakPolarHBondContact O-CB 3.35Å; V253-H257 PolarHBondContact O-CD2 2.72Å; V253-H257 VanDerWaalsContact O-CD2 3.32Å; V253-H257 PolarHBondContact O-N 2.74Å; V253-L263 HydrophobicContact CG1-CB 4.11Å; V253-L263 HydrophobicContact CG1-CD2 4.38Å; V253-P264 HydrophobicContact CG1-CG 3.87Å; V253-D283 HydrophobicContact CG2-CB 3.93Å
254V95.3Very high94.3Very high13 Ų1350.9 Ų50.98%0.07928%0.279CS..Hα-helixtrans-65.9-45.4-178.5174.60000111.6Y211 M250 R251 S258 L263Y211-V254 HydrophobicContact CD1-CG1 3.76Å; Y211-V254 HydrophobicContact CD2-CB 4.37Å; Y211-V254 HydrophobicContact CD2-CG1 4.02Å; Y211-V254 HydrophobicContact CE1-CG1 4.45Å; Y211-V254 HydrophobicContact CG-CB 4.36Å; Y211-V254 HydrophobicContact CG-CG1 3.54Å; M250-V254 VanDerWaalsContact O-CG2 3.28Å; M250-V254 WeakPolarHBondContact O-CG2 3.41Å; M250-V254 PolarHBondContact O-N 3.47Å; R251-V254 PolarHBondContact O-N 3.13Å; V254-S258 WeakPolarHBondContact O-CA 3.39Å; V254-S258 PolarHBondContact O-N 3.13Å; V254-S258 VanDerWaalsContact O-N 3.11Å; V254-L263 HydrophobicContact CG2-CD1 3.78Å
255E94.1Very high94.3Very high84 Ų8451.5 Ų51.539%0.39329%0.285SS..Hα-helixtrans-64.3-44.6179.3-71.8179.317700111.3Y211 R251 S258Y211-E255 HydrophobicContact CE1-CG 4.28Å; Y211-E255 PolarHBondContact OH-OE1 3.39Å; Y211-E255 VanDerWaalsContact OH-OE1 3.11Å; R251-E255 HydrophobicContact CG-CG 4.32Å; R251-E255 WeakPolarHBondContact CG-OE1 3.46Å; R251-E255 IonicContact CZ-OE1 3.4Å; R251-E255 VanDerWaalsContact CZ-OE1 3.28Å; R251-E255 IonicContact NE-OE1 2.78Å; R251-E255 PolarHBondContact NE-OE1 3.22Å; R251-E255 IonicContact NE-OE2 3.56Å; R251-E255 IonicContact NH2-OE1 3.45Å; R251-E255 PolarHBondContact NH2-OE1 3.13Å; R251-E255 IonicContact NH2-OE2 2.83Å; R251-E255 WeakPolarHBondContact O-CB 3.44Å; R251-E255 WeakPolarHBondContact O-CG 3.45Å; R251-E255 PolarHBondContact O-N 3.39Å; E255-S258 PolarHBondContact O-OG 2.82Å
256Y95.3Very high94.4Very high120 Ų12051.1 Ų51.147%0.47128%0.283SS..Hα-helixtrans-71.4-34.5-177.2-172.5-110.9000113.3A252 G359A252-Y256 WeakPolarHBondContact O-CB 3.34Å; A252-Y256 PolarHBondContact O-N 3.35Å; Y256-G359 PolarHBondContact OH-O 3.05Å
257H95.2Very high94.4Very high45 Ų4556.1 Ų56.121%0.20831%0.305CS..THydrogen-bonded Turntrans-103.425.5179.6-64.2-79.2000113.1V253 S259 A260 L263 P264 L284V253-H257 WeakPolarHBondContact O-CB 3.35Å; V253-H257 PolarHBondContact O-CD2 2.72Å; V253-H257 VanDerWaalsContact O-CD2 3.32Å; V253-H257 PolarHBondContact O-N 2.74Å; H257-S259 PolarHBondContact O-N 2.95Å; H257-A260 HydrophobicContact CB-CB 4.02Å; H257-A260 WeakPolarHBondContact O-CB 3.49Å; H257-A260 PolarHBondContact O-N 2.88Å; H257-L263 HydrophobicContact CB-CD2 3.79Å; H257-P264 WeakPolarHBondContact NE2-CG 3.47Å; H257-L284 PolarHBondContact CD2-O 3.22Å; H257-L284 PolarHBondContact NE2-O 3.24Å
258S89.5Confident94.6Very high100 Ų10055.3 Ų55.370%0.69930%0.301SS*.THydrogen-bonded Turntrans-55.8-22.7-176.851.70000115.1V254 E255V254-S258 WeakPolarHBondContact O-CA 3.39Å; V254-S258 PolarHBondContact O-N 3.13Å; V254-S258 VanDerWaalsContact O-N 3.11Å; E255-S258 PolarHBondContact O-OG 2.82Å
259S88.5Confident94.7Very high118 Ų11856.1 Ų56.183%0.82531%0.305SS*.THydrogen-bonded Turntrans-1001.7176.263.50000114.7H257H257-S259 PolarHBondContact O-N 2.95Å
260A88.3Confident94.7Very high44 Ų4456 Ų5636%0.36430%0.304SS..  trans-92.5142.2-178.800000111H257 H262H257-A260 HydrophobicContact CB-CB 4.02Å; H257-A260 WeakPolarHBondContact O-CB 3.49Å; H257-A260 PolarHBondContact O-N 2.88Å; A260-H262 PolarHBondContact O-N 2.88Å
261D86.1Confident94.7Very high158 Ų15857.1 Ų57.185%0.84531%0.314SS*.SBendtrans-67.5-25.3176.5-64.3-36.9000112.5
262H91.6Very high94.6Very high164 Ų16457.5 Ų57.576%0.75932%0.319SS*.SBendtrans-133.8129.4-176.3-60.2-27.4000110.7A260A260-H262 PolarHBondContact O-N 2.88Å
263L96.5Very high94.5Very high43 Ų4358 Ų5823%0.22533%0.327CS..PPolyproline II helixtrans-83.9133.3176-60.4176.1000110A213 P215 V253 V254 H257A213-L263 HydrophobicContact CB-CD1 4.08Å; P215-L263 HydrophobicContact CB-CB 4.17Å; V253-L263 HydrophobicContact CG1-CB 4.11Å; V253-L263 HydrophobicContact CG1-CD2 4.38Å; V254-L263 HydrophobicContact CG2-CD1 3.78Å; H257-L263 HydrophobicContact CB-CD2 3.79Å
264P97.2Very high94.3Very high22 Ų2266.1 Ų66.114%0.14337%0.365CS..PPolyproline II helixtrans-63.8142.317425.8-33.2000111P215 V253 H257 L284P215-P264 WeakPolarHBondContact CB-O 3.48Å; V253-P264 HydrophobicContact CG1-CG 3.87Å; H257-P264 WeakPolarHBondContact NE2-CG 3.47Å; P264-L284 HydrophobicContact CB-CB 4.1Å; P264-L284 HydrophobicContact CB-CD1 3.89Å; P264-L284 HydrophobicContact CB-CG 4.44Å; P264-L284 HydrophobicContact CG-CB 3.86Å
265P97.7Very high94.2Very high35 Ų3571.2 Ų71.223%0.22739%0.388CS..PPolyproline II helixtrans-71.6148.1-179.529.4-34.4000111.6E216 E218E216-P265 CarbonylContact O-C 3.55Å; E216-P265 WeakPolarHBondContact O-CA 3.36Å; E216-P265 WeakPolarHBondContact O-CB 3.44Å; E218-P265 HydrophobicContact CG-CB 4.01Å; E218-P265 HydrophobicContact CG-CG 4.22Å; E218-P265 WeakPolarHBondContact OE1-CG 3.46Å
266I98.5Very high94.3Very high0 Ų069.3 Ų69.30%038%0.38CS..EExtended strand (participates in β ladder)trans-77.7124.9168.7-63170.4000107.9P215 E216 M217 E218 L246 A249 M250 V268 I281P215-I266 HydrophobicContact CB-CG1 4.33Å; P215-I266 HydrophobicContact CG-CD1 3.68Å; P215-I266 HydrophobicContact CG-CG1 3.94Å; E216-I266 PolarHBondContact O-N 3.18Å; M217-I266 CarbonylContact C-O 3.58Å; M217-I266 WeakPolarHBondContact CA-O 3.48Å; E218-I266 PolarHBondContact N-O 3.17Å; L246-I266 HydrophobicContact CD2-CG2 4.26Å; A249-I266 HydrophobicContact CB-CD1 3.75Å; A249-I266 HydrophobicContact CB-CG1 4.3Å; M250-I266 HydrophobicContact CB-CD1 4.34Å; M250-I266 HydrophobicContact CG-CD1 3.5Å; M250-I266 VanDerWaalsContact CG-CD1 3.5Å; I266-V268 HydrophobicContact CG2-CG2 4.4Å; I266-I281 HydrophobicContact CG2-CG2 3.59Å
267K98.4Very high94.4Very high105 Ų10563.6 Ų63.646%0.45736%0.358SS..EExtended strand (participates in β ladder)trans-98.5125.7-178.9-68.2177.6-179.81730110.3E218 S282E218-K267 HydrophobicContact CB-CG 4.33Å; E218-K267 CarbonylContact O-C 3.47Å; E218-K267 WeakPolarHBondContact O-CA 3.09Å; E218-K267 WeakPolarHBondContact OE2-CE 3.44Å; K267-S282 PolarHBondContact N-O 3.19Å; K267-S282 PolarHBondContact O-N 3.13Å
268V98.3Very high94.5Very high3 Ų363 Ų632%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-115.2126.1176.7-172.60000110.3L196 M217 E218 V219 R220 I266 I270 I279 K280 I281L196-V268 HydrophobicContact CD1-CG1 4.26Å; L196-V268 HydrophobicContact CD1-CG2 4.45Å; L196-V268 HydrophobicContact CD2-CB 4.11Å; L196-V268 HydrophobicContact CD2-CG1 3.64Å; L196-V268 HydrophobicContact CD2-CG2 4.4Å; M217-V268 HydrophobicContact CG-CG2 3.87Å; M217-V268 HydrophobicContact SD-CG2 3.74Å; E218-V268 PolarHBondContact O-N 2.88Å; V219-V268 CarbonylContact C-O 3.55Å; V219-V268 WeakPolarHBondContact CA-O 3.4Å; V219-V268 HydrophobicContact CG1-CB 4.47Å; V219-V268 HydrophobicContact CG2-CB 4.28Å; R220-V268 PolarHBondContact N-O 3.24Å; I266-V268 HydrophobicContact CG2-CG2 4.4Å; V268-I270 HydrophobicContact CG1-CG1 4.36Å; V268-I279 HydrophobicContact CG1-CG2 3.92Å; V268-K280 CarbonylContact C-O 3.49Å; V268-K280 VanDerWaalsContact CA-O 3.26Å; V268-K280 WeakPolarHBondContact CA-O 3.29Å; V268-I281 HydrophobicContact CG1-CG1 4.25Å; V268-I281 HydrophobicContact CG2-CG1 4.16Å; V268-I281 HydrophobicContact CG2-CG2 4.4Å
269L97.5Very high94.9Very high68 Ų6858.2 Ų58.236%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-111.6120.6172.9173.467.2000109.4R220 H222 I279 K280R220-L269 HydrophobicContact CB-CD1 4.37Å; R220-L269 WeakPolarHBondContact O-CA 3.13Å; H222-L269 HydrophobicContact CB-CD1 4.49Å; L269-I279 WeakPolarHBondContact O-CA 3.47Å; L269-K280 HydrophobicContact CB-CB 4.32Å; L269-K280 PolarHBondContact N-O 2.84Å; L269-K280 PolarHBondContact O-N 3.02Å
270I97.5Very high95.4Very high1 Ų155.5 Ų55.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-104.6122.5172.5-53.5168.7000108.2V192 L196 V219 R220 V221 H222 V229 V268V192-I270 HydrophobicContact CB-CG2 4.42Å; V192-I270 HydrophobicContact CG1-CD1 3.86Å; V192-I270 HydrophobicContact CG1-CG1 4.23Å; V192-I270 HydrophobicContact CG1-CG2 4.02Å; L196-I270 HydrophobicContact CD2-CD1 4.08Å; V219-I270 HydrophobicContact CG1-CD1 4.01Å; V219-I270 HydrophobicContact CG1-CG1 4.5Å; R220-I270 PolarHBondContact O-N 2.99Å; V221-I270 WeakPolarHBondContact CA-O 3.31Å; V221-I270 HydrophobicContact CG2-CB 4.38Å; V221-I270 HydrophobicContact CG2-CD1 4.36Å; H222-I270 PolarHBondContact N-O 3.48Å; V229-I270 HydrophobicContact CB-CG2 4.04Å; V229-I270 HydrophobicContact CG1-CG2 4.09Å; V229-I270 HydrophobicContact CG2-CG2 3.84Å; V268-I270 HydrophobicContact CG1-CG1 4.36Å
271A95.6Very high95.9Very high24 Ų2453.5 Ų53.520%0.19828%0.281CS..EExtended strand (participates in β ladder)trans-128.4138.917900000111.1H222 T278H222-A271 HydrophobicContact CB-CB 4Å; A271-T278 PolarHBondContact N-O 3.31Å; A271-T278 PolarHBondContact O-N 2.89Å
272T94Very high96.5Very high34 Ų3446.9 Ų46.921%0.20925%0.247CC..EExtended strand (participates in β ladder)trans-115.2112.2175.5-570000109.2V229 V277V229-T272 WeakPolarHBondContact CG1-OG1 3.45Å; V229-T272 WeakPolarHBondContact CG2-OG1 3.48Å; T272-V277 HydrophobicContact CG2-CG2 4.43Å
273G91.8Very high96.8Very high37 Ų3739.9 Ų39.938%0.38122%0.215SC..  trans-91-171.9171.300000112.2N276 R370G273-N276 PolarHBondContact N-O 3.4Å; G273-R370 WeakPolarHBondContact O-CD 3.03Å; G273-R370 PolarHBondContact O-NH1 2.97Å
274Q92.7Very high96.9Very high171 Ų17140.3 Ų40.380%0.79922%0.217SC*.SBendtrans-68.6-42172.7-65-61.3-20.500111.5
275E94.3Very high96.9Very high120 Ų12039.7 Ų39.756%0.56122%0.215SC*.SBendtrans-97.7-36-175.5-62.2-179.8-179.100113.5R370E275-R370 WeakPolarHBondContact O-CB 3.2Å; E275-R370 PolarHBondContact O-N 2.91Å
276N95.3Very high96.8Very high43 Ų4338.4 Ų38.423%0.2321%0.208CC..EExtended strand (participates in β ladder)trans-127.7145.1-167.2-54-54.1000112.6G273 L368G273-N276 PolarHBondContact N-O 3.4Å; N276-L368 CarbonylContact C-O 3.47Å; N276-L368 WeakPolarHBondContact CA-O 3.46Å
277V97.2Very high96.6Very high1 Ų139.5 Ų39.51%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-91.3125.8156177.50000106.7V192 V229 F231 T272 L368 R370V192-V277 HydrophobicContact CG2-CG1 4.02Å; V229-V277 HydrophobicContact CG1-CG1 3.88Å; V229-V277 HydrophobicContact CG1-CG2 4.34Å; F231-V277 HydrophobicContact CB-CG2 4.42Å; F231-V277 HydrophobicContact CD1-CG2 4.15Å; F231-V277 HydrophobicContact CD2-CG2 4.16Å; F231-V277 HydrophobicContact CE1-CG1 4.46Å; F231-V277 HydrophobicContact CE2-CG2 4.48Å; F231-V277 HydrophobicContact CG-CG2 3.99Å; T272-V277 HydrophobicContact CG2-CG2 4.43Å; V277-L368 PolarHBondContact N-O 3.31Å; V277-L368 PolarHBondContact O-N 2.71Å; V277-R370 HydrophobicContact CG2-CB 4.2Å; V277-R370 HydrophobicContact CG2-CG 4.28Å
278T98Very high96.5Very high31 Ų3136.3 Ų36.319%0.1921%0.206CC..EExtended strand (participates in β ladder)trans-119.9129.9-177.2-53.10000109.7A271 I365 V366 Y367A271-T278 PolarHBondContact N-O 3.31Å; A271-T278 PolarHBondContact O-N 2.89Å; T278-I365 HydrophobicContact CG2-CG2 3.54Å; T278-V366 WeakPolarHBondContact CA-O 3.26Å; T278-Y367 HydrophobicContact CG2-CD1 3.81Å; T278-Y367 HydrophobicContact CG2-CE1 3.65Å
279I98.5Very high96.3Very high1 Ų137.6 Ų37.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-120.6118.7176.6-53.5164.9000106.9V192 L238 L242 V268 L269 I281 I365 V366V192-I279 HydrophobicContact CG1-CD1 3.44Å; V192-I279 VanDerWaalsContact CG1-CD1 3.44Å; V192-I279 HydrophobicContact CG1-CG1 3.87Å; L238-I279 HydrophobicContact CD1-CD1 3.74Å; L242-I279 HydrophobicContact CD2-CD1 4.07Å; L242-I279 HydrophobicContact CD2-CG2 3.95Å; V268-I279 HydrophobicContact CG1-CG2 3.92Å; L269-I279 WeakPolarHBondContact O-CA 3.47Å; I279-I281 HydrophobicContact CG2-CG1 4.39Å; I279-I365 WeakPolarHBondContact O-CA 3.41Å; I279-V366 HydrophobicContact CB-CB 4.35Å; I279-V366 PolarHBondContact N-O 3.07Å; I279-V366 PolarHBondContact O-N 2.95Å
280K98.5Very high96Very high60 Ų6043.4 Ų43.426%0.26123%0.232SC..EExtended strand (participates in β ladder)trans-110.7122.2176.1179.217396.71370109.5V268 L269 S282 D363 A364 I365V268-K280 CarbonylContact C-O 3.49Å; V268-K280 VanDerWaalsContact CA-O 3.26Å; V268-K280 WeakPolarHBondContact CA-O 3.29Å; L269-K280 HydrophobicContact CB-CB 4.32Å; L269-K280 PolarHBondContact N-O 2.84Å; L269-K280 PolarHBondContact O-N 3.02Å; K280-S282 WeakPolarHBondContact CE-OG 2.95Å; K280-D363 IonicContact NZ-OD1 3.81Å; K280-D363 IonicContact NZ-OD2 2.72Å; K280-D363 PolarHBondContact NZ-OD2 3.03Å; K280-A364 CarbonylContact C-O 3.59Å; K280-A364 WeakPolarHBondContact CA-O 3.34Å; K280-I365 HydrophobicContact CB-CG1 4.34Å; K280-I365 HydrophobicContact CD-CD1 4.23Å; K280-I365 HydrophobicContact CD-CG1 4.14Å; K280-I365 HydrophobicContact CG-CG1 3.95Å
281I98.6Very high95.7Very high3 Ų348.2 Ų48.22%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-108.4120.7174.5-56.5177.2000107.1L242 L245 L246 I266 V268 I279 D363 A364L242-I281 HydrophobicContact CD2-CD1 4.08Å; L245-I281 HydrophobicContact CB-CD1 3.77Å; L245-I281 HydrophobicContact CD1-CD1 4.09Å; L246-I281 HydrophobicContact CD2-CD1 4.32Å; L246-I281 HydrophobicContact CD2-CG2 4.26Å; L246-I281 HydrophobicContact CG-CD1 4.24Å; I266-I281 HydrophobicContact CG2-CG2 3.59Å; V268-I281 HydrophobicContact CG1-CG1 4.25Å; V268-I281 HydrophobicContact CG2-CG1 4.16Å; V268-I281 HydrophobicContact CG2-CG2 4.4Å; I279-I281 HydrophobicContact CG2-CG1 4.39Å; I281-D363 WeakPolarHBondContact O-CA 3.4Å; I281-A364 PolarHBondContact N-O 3.14Å; I281-A364 PolarHBondContact O-N 3.26Å
282S98.7Very high95.5Very high19 Ų1950.2 Ų50.213%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-118.8121.4-176.4-67.70000109.6K267 K280 T362 D363K267-S282 PolarHBondContact N-O 3.19Å; K267-S282 PolarHBondContact O-N 3.13Å; K280-S282 WeakPolarHBondContact CE-OG 2.95Å; S282-T362 WeakPolarHBondContact CA-O 3.45Å; S282-D363 WeakPolarHBondContact CB-OD1 3.44Å; S282-D363 VanDerWaalsContact OG-CG 3.31Å; S282-D363 PolarHBondContact OG-OD1 3.32Å
283D98.4Very high95.4Very high17 Ų1749.1 Ų49.19%0.09126%0.264CS..  trans-108.6166.1173.470.359000112.1A249 V253 G285 G361 T362A249-D283 HydrophobicContact CB-CB 3.91Å; V253-D283 HydrophobicContact CG2-CB 3.93Å; D283-G285 PolarHBondContact OD1-N 2.99Å; D283-G361 WeakPolarHBondContact O-CA 3.34Å; D283-T362 PolarHBondContact N-O 2.98Å; D283-T362 PolarHBondContact O-N 2.95Å; D283-T362 PolarHBondContact OD1-N 3.24Å
284L98.1Very high95.1Very high52 Ų5253.5 Ų53.527%0.27228%0.278SS..  trans-116.342.1168.4-63.8-179000110.3H257 P264 G286 Y360H257-L284 PolarHBondContact CD2-O 3.22Å; H257-L284 PolarHBondContact NE2-O 3.24Å; P264-L284 HydrophobicContact CB-CB 4.1Å; P264-L284 HydrophobicContact CB-CD1 3.89Å; P264-L284 HydrophobicContact CB-CG 4.44Å; P264-L284 HydrophobicContact CG-CB 3.86Å; L284-G286 VanDerWaalsContact C-N 3.28Å; L284-G286 PolarHBondContact O-N 3.04Å; L284-Y360 CarbonylContact C-O 3.5Å; L284-Y360 VanDerWaalsContact C-O 3.31Å; L284-Y360 WeakPolarHBondContact CA-O 3.15Å; L284-Y360 HydrophobicContact CD2-CD1 4.12Å; L284-Y360 HydrophobicContact CD2-CD2 4.31Å; L284-Y360 HydrophobicContact CD2-CE1 3.61Å; L284-Y360 HydrophobicContact CD2-CE2 3.82Å; L284-Y360 HydrophobicContact CD2-CG 4.45Å; L284-Y360 VanDerWaalsContact CD2-CZ 3.44Å
285G96.7Very high95Very high9 Ų948.5 Ų48.59%0.09326%0.256CS..SBendtrans-87.829.8-175.600000114.7A252 D283 G287A252-G285 WeakPolarHBondContact O-CA 3.44Å; D283-G285 PolarHBondContact OD1-N 2.99Å; G285-G287 PolarHBondContact O-N 3.27Å; G285-G287 VanDerWaalsContact O-N 3.14Å
286G95.7Very high94.9Very high8 Ų843.5 Ų43.58%0.08223%0.234CC..BIsolated β-bridgetrans79.3-11.917600000115.7L284 G359 Y360L284-G286 VanDerWaalsContact C-N 3.28Å; L284-G286 PolarHBondContact O-N 3.04Å; G286-G359 WeakPolarHBondContact O-CA 3.36Å; G286-G359 PolarHBondContact O-N 2.92Å; G286-Y360 PolarHBondContact N-O 3.06Å; G286-Y360 PolarHBondContact O-N 3.39Å
287G96Very high94.7Very high22 Ų2242.7 Ų42.723%0.22723%0.229CC..  trans73.1-177.2173.600000115.1G285 S356G285-G287 PolarHBondContact O-N 3.27Å; G285-G287 VanDerWaalsContact O-N 3.14Å; G287-S356 WeakPolarHBondContact CA-OG 3.33Å
288I95.1Very high94.4Very high38 Ų3844.8 Ų44.820%0.19524%0.24CC..  trans-123.7129-172.3-61.1156.4000108.4R290 Q292 M293 V296 S356 T362I288-R290 PolarHBondContact O-N 3.13Å; I288-Q292 HydrophobicContact CG2-CB 4.02Å; I288-M293 HydrophobicContact CB-SD 3.78Å; I288-M293 HydrophobicContact CD1-SD 4.27Å; I288-M293 HydrophobicContact CG2-CG 4.45Å; I288-M293 HydrophobicContact CG2-SD 3.74Å; I288-V296 HydrophobicContact CD1-CG1 4.28Å; I288-V296 HydrophobicContact CG2-CG1 4.16Å; I288-S356 PolarHBondContact N-OG 3.1Å; I288-T362 HydrophobicContact CD1-CG2 4.38Å
289P94.4Very high94Very high31 Ų3143.6 Ų43.620%0.20123%0.232CC..  trans-56.1139.5175.8-24.532.8000112S291 Q292 M293 E358P289-S291 PolarHBondContact O-N 2.93Å; P289-Q292 HydrophobicContact CB-CG 4.49Å; P289-Q292 PolarHBondContact O-N 3.16Å; P289-M293 PolarHBondContact O-N 3.41Å; P289-E358 WeakPolarHBondContact CA-OE2 3.4Å; P289-E358 HydrophobicContact CG-CG 4.36Å
290R91.9Very high93.3Very high190 Ų19045.2 Ų45.272%0.71724%0.242SC*.G310 helixtrans-57.3-32.1-175.3-175.559.2-177.1170.66.5113.2I288 Q292 M293I288-R290 PolarHBondContact O-N 3.13Å; R290-Q292 PolarHBondContact O-N 3.37Å; R290-M293 PolarHBondContact O-N 3.5Å
291S91.1Very high92.4Very high101 Ų10144.9 Ų44.971%0.70624%0.239SC*.G310 helixtrans-66.1-18.4177.355.30000114.3P289P289-S291 PolarHBondContact O-N 2.93Å
292Q91.4Very high91.2Very high66 Ų6646.2 Ų46.231%0.30825%0.248SC..G310 helixtrans-103.2-9.9-179.3-61.7-179.29.600113.1I288 P289 R290 D294 L295 V296 Y301I288-Q292 HydrophobicContact CG2-CB 4.02Å; P289-Q292 HydrophobicContact CB-CG 4.49Å; P289-Q292 PolarHBondContact O-N 3.16Å; R290-Q292 PolarHBondContact O-N 3.37Å; Q292-D294 PolarHBondContact O-N 2.51Å; Q292-L295 WeakPolarHBondContact O-CA 3.45Å; Q292-L295 WeakPolarHBondContact O-CB 3.47Å; Q292-L295 PolarHBondContact O-N 3.36Å; Q292-V296 WeakPolarHBondContact O-CG1 3.42Å; Q292-V296 PolarHBondContact O-N 3.08Å; Q292-Y301 VanDerWaalsContact CD-OH 3.24Å; Q292-Y301 PolarHBondContact OE1-OH 2.81Å
293M91.2Very high89.7Confident12 Ų1248.1 Ų48.16%0.05926%0.259CS..THydrogen-bonded Turntrans-58.3-33.6-174.8-75.8-60.3-57.200113.8I288 P289 R290 L295 V296 L354I288-M293 HydrophobicContact CB-SD 3.78Å; I288-M293 HydrophobicContact CD1-SD 4.27Å; I288-M293 HydrophobicContact CG2-CG 4.45Å; I288-M293 HydrophobicContact CG2-SD 3.74Å; P289-M293 PolarHBondContact O-N 3.41Å; R290-M293 PolarHBondContact O-N 3.5Å; M293-L295 VanDerWaalsContact C-N 3.3Å; M293-V296 VanDerWaalsContact O-CG2 3.29Å; M293-V296 WeakPolarHBondContact O-CG2 3.5Å; M293-L354 HydrophobicContact CE-CB 3.81Å; M293-L354 WeakPolarHBondContact CE-O 3.45Å
294D86.3Confident88Confident129 Ų12947.8 Ų47.869%0.6926%0.258SS*.THydrogen-bonded Turntrans-78.6-19.2176.8-63.3-31.8000112.2Q292Q292-D294 PolarHBondContact O-N 2.51Å
295L89.4Confident86Confident65 Ų6550.2 Ų50.234%0.3426%0.263SS..THydrogen-bonded Turntrans-83.4-24.7-178.6-55.7178.2000112.7Q292 M293 F297 N298 Y301Q292-L295 WeakPolarHBondContact O-CA 3.45Å; Q292-L295 WeakPolarHBondContact O-CB 3.47Å; Q292-L295 PolarHBondContact O-N 3.36Å; M293-L295 VanDerWaalsContact C-N 3.3Å; L295-F297 PolarHBondContact O-N 3.11Å; L295-F297 VanDerWaalsContact O-N 3.12Å; L295-N298 VanDerWaalsContact O-CB 3.3Å; L295-N298 WeakPolarHBondContact O-CB 3.43Å; L295-N298 PolarHBondContact O-N 3.5Å; L295-Y301 HydrophobicContact CB-CD1 3.87Å; L295-Y301 HydrophobicContact CB-CD2 3.78Å; L295-Y301 HydrophobicContact CB-CE1 4.08Å; L295-Y301 HydrophobicContact CB-CE2 4Å; L295-Y301 HydrophobicContact CB-CG 3.71Å; L295-Y301 HydrophobicContact CD1-CD2 4.06Å; L295-Y301 HydrophobicContact CD1-CE2 3.86Å; L295-Y301 HydrophobicContact CG-CD2 4.5Å; L295-Y301 VanDerWaalsContact O-CB 3.26Å; L295-Y301 WeakPolarHBondContact O-CB 3.21Å; L295-Y301 VanDerWaalsContact O-CD1 3.24Å; L295-Y301 WeakPolarHBondContact O-CD1 3.22Å
296V91.7Very high83.6Confident15 Ų1556 Ų569%0.09129%0.288CS..THydrogen-bonded Turntrans-63.6-20.5-175.2-53.10000114.1I288 Q292 M293 Y301 L338 L354I288-V296 HydrophobicContact CD1-CG1 4.28Å; I288-V296 HydrophobicContact CG2-CG1 4.16Å; Q292-V296 WeakPolarHBondContact O-CG1 3.42Å; Q292-V296 PolarHBondContact O-N 3.08Å; M293-V296 VanDerWaalsContact O-CG2 3.29Å; M293-V296 WeakPolarHBondContact O-CG2 3.5Å; V296-Y301 HydrophobicContact CG1-CE1 4.44Å; V296-L338 HydrophobicContact CB-CD1 4.26Å; V296-L354 HydrophobicContact CG2-CD1 3.81Å
297F92.3Very high81.1Confident27 Ų2756.7 Ų56.712%0.11829%0.293CS..THydrogen-bonded Turntrans-96.82.2174.1-68.4-71.2000113.2Q148 L295 L338 P339 R342 L352 L354Q148-F297 PolarHBondContact NE2-O 3.01Å; Q148-F297 VanDerWaalsContact NE2-O 3.09Å; L295-F297 PolarHBondContact O-N 3.11Å; L295-F297 VanDerWaalsContact O-N 3.12Å; F297-L338 HydrophobicContact CD1-CB 4.32Å; F297-L338 HydrophobicContact CE1-CB 4.3Å; F297-P339 WeakPolarHBondContact O-CG 3.38Å; F297-R342 HydrophobicContact CD1-CB 4.26Å; F297-R342 HydrophobicContact CE1-CB 3.97Å; F297-R342 HydrophobicContact CE1-CG 4.39Å; F297-L352 HydrophobicContact CE1-CD2 4.36Å; F297-L354 HydrophobicContact CE2-CD1 4.16Å; F297-L354 HydrophobicContact CE2-CG 4.28Å; F297-L354 HydrophobicContact CZ-CD1 3.9Å; F297-L354 HydrophobicContact CZ-CG 3.88Å
298N91.3Very high78.5Confident44 Ų4458.3 Ų58.324%0.23530%0.295CS..  trans-83.8127.6177-69.6-16.4000110.6L295 T300 Y301L295-N298 VanDerWaalsContact O-CB 3.3Å; L295-N298 WeakPolarHBondContact O-CB 3.43Å; L295-N298 PolarHBondContact O-N 3.5Å; N298-T300 PolarHBondContact O-N 3.43Å; N298-T300 VanDerWaalsContact O-N 3.07Å; N298-Y301 PolarHBondContact O-N 3.43Å
299Y88.9Confident75.7Confident6 Ų667.3 Ų67.32%0.02433%0.326CS..THydrogen-bonded Turntrans-62.5-19.7177.9-65.1-76.8000113.9Q148 L151 D152 Y155 Y336 P339 L340 L343Q148-Y299 VanDerWaalsContact NE2-CD2 3.35Å; Q148-Y299 VanDerWaalsContact OE1-CD2 3.22Å; L151-Y299 HydrophobicContact CB-CD2 3.4Å; L151-Y299 VanDerWaalsContact CB-CD2 3.4Å; L151-Y299 HydrophobicContact CB-CE2 3.37Å; L151-Y299 HydrophobicContact CB-CG 4.09Å; L151-Y299 HydrophobicContact CD1-CD1 4.38Å; L151-Y299 HydrophobicContact CD1-CD2 3.49Å; L151-Y299 VanDerWaalsContact CD1-CD2 3.49Å; L151-Y299 HydrophobicContact CD1-CE2 4.33Å; L151-Y299 HydrophobicContact CD1-CG 3.54Å; L151-Y299 HydrophobicContact CG-CD2 4.11Å; L151-Y299 HydrophobicContact CG-CG 4.46Å; D152-Y299 WeakPolarHBondContact OD1-CE2 3.34Å; D152-Y299 PolarHBondContact OD1-OH 2.89Å; Y155-Y299 AromaticContact CD2-CE1 3.75Å; Y155-Y299 HydrophobicContact CD2-CE1 3.75Å; Y155-Y299 AromaticContact CD2-CZ 3.81Å; Y155-Y299 HydrophobicContact CE2-CD1 4.23Å; Y155-Y299 AromaticContact CE2-CE1 3.75Å; Y155-Y299 HydrophobicContact CE2-CE1 3.75Å; Y299-Y336 AromaticContact CD1-CD1 3.42Å; Y299-Y336 HydrophobicContact CD1-CD1 3.42Å; Y299-Y336 VanDerWaalsContact CD1-CD1 3.42Å; Y299-Y336 AromaticContact CD1-CD2 3.99Å; Y299-Y336 HydrophobicContact CD1-CD2 3.99Å; Y299-Y336 AromaticContact CD1-CE1 3.32Å; Y299-Y336 HydrophobicContact CD1-CE1 3.32Å; Y299-Y336 AromaticContact CD1-CE2 3.94Å; Y299-Y336 HydrophobicContact CD1-CE2 3.94Å; Y299-Y336 AromaticContact CD1-CG 3.75Å; Y299-Y336 HydrophobicContact CD1-CG 3.75Å; Y299-Y336 AromaticContact CD1-CZ 3.6Å; Y299-Y336 AromaticContact CE1-CD1 3.78Å; Y299-Y336 HydrophobicContact CE1-CD1 3.78Å; Y299-Y336 AromaticContact CE1-CE1 3.94Å; Y299-Y336 HydrophobicContact CE1-CE1 3.94Å; Y299-Y336 HydrophobicContact CE1-CG 4.32Å; Y299-Y336 HydrophobicContact CG-CE1 4.09Å; Y299-Y336 HydrophobicContact CG-CE2 4.35Å; Y299-Y336 AromaticContact CG-CZ 4Å; Y299-Y336 WeakPolarHBondContact O-CE2 3.33Å; Y299-P339 HydrophobicContact CD1-CB 3.92Å; Y299-P339 HydrophobicContact CD1-CG 4.07Å; Y299-P339 HydrophobicContact CE1-CB 3.36Å; Y299-P339 HydrophobicContact CE1-CG 4.03Å; Y299-P339 HydrophobicContact CE2-CB 4.21Å; Y299-P339 VanDerWaalsContact CZ-CB 3.48Å; Y299-L340 HydrophobicContact CE1-CD2 4.46Å; Y299-L343 WeakPolarHBondContact OH-CD1 3.28Å
300T83.1Confident72.9Confident35 Ų3571.4 Ų71.422%0.21535%0.354CS..THydrogen-bonded Turntrans-90.3-4.7179.650.60000113.3V130 Q134 N298V130-T300 HydrophobicContact CG1-CG2 3.93Å; Q134-T300 VanDerWaalsContact NE2-CG2 3.3Å; N298-T300 PolarHBondContact O-N 3.43Å; N298-T300 VanDerWaalsContact O-N 3.07Å
301Y79.4Confident70Confident53 Ų5365.8 Ų65.821%0.20836%0.355CS..  trans-108.2124.9-177.1-178-100.7000110.7Q292 L295 V296 N298 T303Q292-Y301 VanDerWaalsContact CD-OH 3.24Å; Q292-Y301 PolarHBondContact OE1-OH 2.81Å; L295-Y301 HydrophobicContact CB-CD1 3.87Å; L295-Y301 HydrophobicContact CB-CD2 3.78Å; L295-Y301 HydrophobicContact CB-CE1 4.08Å; L295-Y301 HydrophobicContact CB-CE2 4Å; L295-Y301 HydrophobicContact CB-CG 3.71Å; L295-Y301 HydrophobicContact CD1-CD2 4.06Å; L295-Y301 HydrophobicContact CD1-CE2 3.86Å; L295-Y301 HydrophobicContact CG-CD2 4.5Å; L295-Y301 VanDerWaalsContact O-CB 3.26Å; L295-Y301 WeakPolarHBondContact O-CB 3.21Å; L295-Y301 VanDerWaalsContact O-CD1 3.24Å; L295-Y301 WeakPolarHBondContact O-CD1 3.22Å; V296-Y301 HydrophobicContact CG1-CE1 4.44Å; N298-Y301 PolarHBondContact O-N 3.43Å; Y301-T303 HydrophobicContact CE1-CG2 4.36Å
302T73.8Confident67.7Low32 Ų3264.9 Ų64.920%0.19634%0.34CS..  trans-150.5136.9171.7179.40000110.4A304 R305T302-A304 WeakPolarHBondContact OG1-CB 3.16Å; T302-A304 PolarHBondContact OG1-N 3.35Å; T302-R305 HydrophobicContact CG2-CG 4.02Å
303T67.6Low65Low59 Ų5967.1 Ų67.136%0.36236%0.36SS..SBendtrans-83.6-14.317455.20000112.3Y301 R305 Q306Y301-T303 HydrophobicContact CE1-CG2 4.36Å; T303-R305 VanDerWaalsContact C-N 3.25Å; T303-R305 PolarHBondContact O-N 3.26Å; T303-Q306 WeakPolarHBondContact O-CB 3.47Å; T303-Q306 PolarHBondContact O-N 2.95Å
304A62.4Low62.2Low9 Ų968.6 Ų68.67%0.07437%0.372CS..Hα-helixtrans-58.1-37.4-18000000112.4T302 Q306 A307 E308 A332T302-A304 WeakPolarHBondContact OG1-CB 3.16Å; T302-A304 PolarHBondContact OG1-N 3.35Å; A304-Q306 PolarHBondContact O-N 2.96Å; A304-A307 WeakPolarHBondContact O-CB 3.28Å; A304-A307 PolarHBondContact O-N 3.24Å; A304-E308 PolarHBondContact O-N 3.31Å; A304-A332 HydrophobicContact CB-CB 3.7Å
305R56.2Low60.2Low103 Ų10364.8 Ų64.839%0.38935%0.351SS..Hα-helixtrans-66.9-20.1177.4-74.1-177.9158.8168.4-3.1114.3M131 T302 T303M131-R305 PolarHBondContact SD-NH2 3.32Å; T302-R305 HydrophobicContact CG2-CG 4.02Å; T303-R305 VanDerWaalsContact C-N 3.25Å; T303-R305 PolarHBondContact O-N 3.26Å
306Q47.3Very low57.6Low132 Ų13266.9 Ų66.962%0.61737%0.371SS*.Hα-helixtrans-76.2-30.4172.8-68.2-179-3.400110.9T303 A304 R309T303-Q306 WeakPolarHBondContact O-CB 3.47Å; T303-Q306 PolarHBondContact O-N 2.95Å; A304-Q306 PolarHBondContact O-N 2.96Å; Q306-R309 WeakPolarHBondContact O-CB 3.29Å; Q306-R309 PolarHBondContact O-N 3.3Å
307A42.9Very low54.8Low22 Ų2269.6 Ų69.618%0.18239%0.391CS..Hα-helixtrans-69.9-34.8172.900000112.3A304 R309 C310A304-A307 WeakPolarHBondContact O-CB 3.28Å; A304-A307 PolarHBondContact O-N 3.24Å; A307-R309 PolarHBondContact O-N 3.15Å; A307-C310 WeakPolarHBondContact O-CA 3.35Å; A307-C310 WeakPolarHBondContact O-CB 3.43Å; A307-C310 PolarHBondContact O-N 2.84Å
308E41.9Very low52.2Low56 Ų5672.7 Ų72.726%0.26241%0.407SS..Hα-helixtrans-59.2-28.9172.4-66.2-18016300112.8A304 C310 G311 L315A304-E308 PolarHBondContact O-N 3.31Å; E308-C310 PolarHBondContact O-N 2.99Å; E308-G311 PolarHBondContact O-N 2.93Å; E308-L315 WeakPolarHBondContact OE1-CB 3.41Å; E308-L315 PolarHBondContact OE1-N 3.26Å
309R35.6Very low49.1Very low226 Ų22679.3 Ų79.385%0.85344%0.436SS*.THydrogen-bonded Turntrans-70.8-16173.8-69.2-176.2175.8-174.9-1.6113.1Q306 A307Q306-R309 WeakPolarHBondContact O-CB 3.29Å; Q306-R309 PolarHBondContact O-N 3.3Å; A307-R309 PolarHBondContact O-N 3.15Å
310C34.7Very low46.5Very low117 Ų11787.4 Ų87.479%0.79148%0.479SS*.THydrogen-bonded Turntrans-92.410.1176.3-62.80000113.4A307 E308A307-C310 WeakPolarHBondContact O-CA 3.35Å; A307-C310 WeakPolarHBondContact O-CB 3.43Å; A307-C310 PolarHBondContact O-N 2.84Å; E308-C310 PolarHBondContact O-N 2.99Å
311G31.5Very low43.9Very low72 Ų7287.3 Ų87.374%0.74249%0.485SS*.THydrogen-bonded Turntrans99.214.5169.900000115.9E308E308-G311 PolarHBondContact O-N 2.93Å
312E42.1Very low41.5Very low83 Ų8389 Ų8939%0.38850%0.503SS..PPolyproline II helixtrans-82.2152.1172.7-68.9-170148.300112.3Y210 S314Y210-E312 PolarHBondContact OH-OE1 3.26Å; Y210-E312 PolarHBondContact OH-OE2 3.12Å; E312-S314 PolarHBondContact O-N 2.97Å
313P35.9Very low39.6Very low112 Ų11293.5 Ų93.573%0.72753%0.532SS*.PPolyproline II helixtrans-58.4128.7-176.3-15.426.9000111.1
314S32Very low38Very low43 Ų4398.4 Ų98.430%0.30156%0.556SS.*PPolyproline II helixtrans-58.5141.7-178.365.60000112.6E312 S316 S317E312-S314 PolarHBondContact O-N 2.97Å; S314-S316 WeakPolarHBondContact CB-OG 3.49Å; S314-S316 PolarHBondContact O-N 3.27Å; S314-S316 PolarHBondContact OG-OG 3.19Å; S314-S317 PolarHBondContact N-OG 2.76Å; S314-S317 PolarHBondContact O-N 2.74Å; S314-S317 PolarHBondContact O-OG 3.19Å; S314-S317 PolarHBondContact OG-N 2.86Å; S314-S317 PolarHBondContact OG-OG 2.84Å
315L45Very low36.4Very low50 Ų50105.3 Ų105.326%0.26259%0.587SS.*G310 helixtrans-52.3-28.1169.5-119.792.9000112.1E308 S317 Y334E308-L315 WeakPolarHBondContact OE1-CB 3.41Å; E308-L315 PolarHBondContact OE1-N 3.26Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.49Å; L315-Y334 HydrophobicContact CD2-CD1 4.04Å; L315-Y334 HydrophobicContact CD2-CE1 3.9Å; L315-Y334 HydrophobicContact CD2-CG 4.48Å
316S34.1Very low35Very low108 Ų108104 Ų10476%0.75561%0.606SS**G310 helixtrans-74.4-15.2178.546.70000115S314S314-S316 WeakPolarHBondContact CB-OG 3.49Å; S314-S316 PolarHBondContact O-N 3.27Å; S314-S316 PolarHBondContact OG-OG 3.19Å
317S33.5Very low34.3Very low73 Ų73101.6 Ų101.651%0.5160%0.6SS.*G310 helixtrans-90.1-0.8-179.840.40000114.3S314 L315 E319S314-S317 PolarHBondContact N-OG 2.76Å; S314-S317 PolarHBondContact O-N 2.74Å; S314-S317 PolarHBondContact O-OG 3.19Å; S314-S317 PolarHBondContact OG-N 2.86Å; S314-S317 PolarHBondContact OG-OG 2.84Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.49Å; S317-E319 PolarHBondContact O-N 2.86Å
318M36Very low34.1Very low92 Ų92105.8 Ų105.845%0.45362%0.619SS.*  trans-86.495.6170.3-77.8-177.57200109.7L320 N328M318-L320 PolarHBondContact O-N 2.83Å; M318-N328 HydrophobicContact CE-CB 4.33Å; M318-N328 WeakPolarHBondContact CE-O 3.22Å
319E26.7Very low34.3Very low183 Ų183106.3 Ų106.386%0.85563%0.633SS**  trans-53.6124163.1-69.6-173.5157.200108.7S317 G321S317-E319 PolarHBondContact O-N 2.86Å; E319-G321 PolarHBondContact O-N 3.35Å
320L34.4Very low35.4Very low175 Ų17598 Ų9892%0.91661%0.609SS**  trans-61.585.2167.3-88.1146.1000108.2M318M318-L320 PolarHBondContact O-N 2.83Å
321G29.2Very low36.5Very low33 Ų3392.7 Ų92.734%0.3457%0.573SS.*  trans-66.4164.9169.100000111.4E319E319-G321 PolarHBondContact O-N 3.35Å
322P28.1Very low37.9Very low90 Ų9090.3 Ų90.358%0.58455%0.546SS*.  trans-58.4146.8177.1-7.518.4000111D324 Q325P322-D324 PolarHBondContact O-N 2.88Å; P322-Q325 PolarHBondContact O-N 2.88Å
323P35.2Very low39Very low125 Ų12587.5 Ų87.581%0.81254%0.539SS*.THydrogen-bonded Turntrans-62.3-6.2-172.923.8-33.5000115.9
324D33.1Very low40.5Very low163 Ų16385.8 Ų85.887%0.87252%0.519SS*.THydrogen-bonded Turntrans-94.2-0.8-178.3-77.1-17.5000114.3P322P322-D324 PolarHBondContact O-N 2.88Å
325Q28.5Very low42.8Very low153 Ų15384.8 Ų84.872%0.71552%0.515SS*.SBendtrans-115.4116.4167.9-69.1-1748.700108P322 T327P322-Q325 PolarHBondContact O-N 2.88Å; Q325-T327 VanDerWaalsContact C-N 3.35Å; Q325-T327 PolarHBondContact O-N 3.4Å
326G28.1Very low44.9Very low76 Ų7683 Ų8378%0.78451%0.505SS*.  trans-45.593.9-17600000112.3N328G326-N328 PolarHBondContact O-N 2.86Å
327T31.6Very low47.7Very low81 Ų8178.6 Ų78.650%0.49748%0.476SS..  trans-70.5111.3174.538.90000107Q325 A329Q325-T327 VanDerWaalsContact C-N 3.35Å; Q325-T327 PolarHBondContact O-N 3.4Å; T327-A329 PolarHBondContact O-N 2.95Å
328N39.5Very low50.5Low110 Ų11076.5 Ų76.559%0.58846%0.459SS*.  trans-49.696.7178.4-68.1-14.7000110.8M318 G326 P330M318-N328 HydrophobicContact CE-CB 4.33Å; M318-N328 WeakPolarHBondContact CE-O 3.22Å; G326-N328 PolarHBondContact O-N 2.86Å; N328-P330 VanDerWaalsContact O-CD 3.29Å; N328-P330 WeakPolarHBondContact O-CD 3.24Å
329A46.1Very low53.4Low67 Ų6772.2 Ų72.255%0.55444%0.438SS*.  trans-66.4117.9175.500000108.3T327T327-A329 PolarHBondContact O-N 2.95Å
330P59Low56.6Low53 Ų5364.3 Ų64.334%0.34440%0.402SS..  trans-65.8145.7-178.726.9-33.9000110.3N328 A332N328-P330 VanDerWaalsContact O-CD 3.29Å; N328-P330 WeakPolarHBondContact O-CD 3.24Å; P330-A332 PolarHBondContact O-N 3.11Å; P330-A332 VanDerWaalsContact O-N 3.11Å
331M57.4Low59.6Low5 Ų556 Ų563%0.02536%0.358CS..SBendtrans-57.3-30178.3-163.268175.100111.8L206 C207 Y210 Y211 K247 M250 R251L206-M331 HydrophobicContact CB-SD 4.07Å; C207-M331 HydrophobicContact CB-CE 3.54Å; C207-M331 HydrophobicContact CB-SD 4.42Å; Y210-M331 HydrophobicContact CG-CB 4.36Å; Y211-M331 HydrophobicContact CE2-CG 4.03Å; K247-M331 HydrophobicContact CB-CE 4.26Å; K247-M331 VanDerWaalsContact CD-O 3.31Å; K247-M331 WeakPolarHBondContact CD-O 3.35Å; K247-M331 HydrophobicContact CD-SD 4.23Å; K247-M331 VanDerWaalsContact CE-O 3.27Å; K247-M331 WeakPolarHBondContact CE-O 3.11Å; K247-M331 HydrophobicContact CG-CE 3.51Å; K247-M331 HydrophobicContact CG-CG 4.19Å; K247-M331 HydrophobicContact CG-SD 3.55Å; K247-M331 VanDerWaalsContact CG-SD 3.55Å; K247-M331 WeakPolarHBondContact O-CE 3.45Å; M250-M331 HydrophobicContact CB-CE 4.08Å; R251-M331 HydrophobicContact CB-CG 4.39Å
332A59.7Low62.9Low21 Ų2157.5 Ų57.517%0.17435%0.354CS..SBendtrans-124117.517100000110.7A304 P330A304-A332 HydrophobicContact CB-CB 3.7Å; P330-A332 PolarHBondContact O-N 3.11Å; P330-A332 VanDerWaalsContact O-N 3.11Å
333G64.9Low66.2Low25 Ų2553.7 Ų53.726%0.25833%0.328SS..  trans-101.4-144.3-179.600000113.7G335G333-G335 PolarHBondContact O-N 2.82Å
334Y69Low69.2Low75 Ų7549 Ų4929%0.29429%0.294SS..SBendtrans-60.8-4.8-176-62.1-83000116.3A127 M131 L315 Y336A127-Y334 HydrophobicContact CB-CD1 4.28Å; A127-Y334 HydrophobicContact CB-CG 4.24Å; M131-Y334 HydrophobicContact CE-CD1 3.45Å; M131-Y334 VanDerWaalsContact CE-CD1 3.45Å; M131-Y334 HydrophobicContact CE-CE1 4.31Å; M131-Y334 HydrophobicContact CE-CG 4.3Å; M131-Y334 HydrophobicContact SD-CD1 3.74Å; M131-Y334 HydrophobicContact SD-CE1 4.05Å; L315-Y334 HydrophobicContact CD2-CD1 4.04Å; L315-Y334 HydrophobicContact CD2-CE1 3.9Å; L315-Y334 HydrophobicContact CD2-CG 4.48Å; Y334-Y336 WeakPolarHBondContact O-CD2 3.32Å
335G80.4Confident72.3Confident22 Ų2241.2 Ų41.223%0.22725%0.253CS..SBendtrans86.214.2-173.300000114.5G333G333-G335 PolarHBondContact O-N 2.82Å
336Y89.4Confident75.7Confident14 Ų1436.7 Ų36.76%0.05523%0.231CC..  trans-94.3-14-172.7-83.3-125.4000114V123 A127 Y155 Y299 Y334 P339 L340V123-Y336 HydrophobicContact CG1-CD1 4.18Å; A127-Y336 WeakPolarHBondContact CA-OH 3.36Å; A127-Y336 HydrophobicContact CB-CD1 4.33Å; A127-Y336 HydrophobicContact CB-CD2 4.28Å; A127-Y336 HydrophobicContact CB-CE1 3.84Å; A127-Y336 HydrophobicContact CB-CE2 3.78Å; Y155-Y336 AromaticContact CE2-CD1 3.89Å; Y155-Y336 HydrophobicContact CE2-CD1 3.89Å; Y155-Y336 AromaticContact CE2-CE1 3.5Å; Y155-Y336 HydrophobicContact CE2-CE1 3.5Å; Y155-Y336 AromaticContact CZ-CE1 3.7Å; Y155-Y336 VanDerWaalsContact OH-CE1 3.28Å; Y155-Y336 WeakPolarHBondContact OH-CE1 3.04Å; Y299-Y336 AromaticContact CD1-CD1 3.42Å; Y299-Y336 HydrophobicContact CD1-CD1 3.42Å; Y299-Y336 VanDerWaalsContact CD1-CD1 3.42Å; Y299-Y336 AromaticContact CD1-CD2 3.99Å; Y299-Y336 HydrophobicContact CD1-CD2 3.99Å; Y299-Y336 AromaticContact CD1-CE1 3.32Å; Y299-Y336 HydrophobicContact CD1-CE1 3.32Å; Y299-Y336 AromaticContact CD1-CE2 3.94Å; Y299-Y336 HydrophobicContact CD1-CE2 3.94Å; Y299-Y336 AromaticContact CD1-CG 3.75Å; Y299-Y336 HydrophobicContact CD1-CG 3.75Å; Y299-Y336 AromaticContact CD1-CZ 3.6Å; Y299-Y336 AromaticContact CE1-CD1 3.78Å; Y299-Y336 HydrophobicContact CE1-CD1 3.78Å; Y299-Y336 AromaticContact CE1-CE1 3.94Å; Y299-Y336 HydrophobicContact CE1-CE1 3.94Å; Y299-Y336 HydrophobicContact CE1-CG 4.32Å; Y299-Y336 HydrophobicContact CG-CE1 4.09Å; Y299-Y336 HydrophobicContact CG-CE2 4.35Å; Y299-Y336 AromaticContact CG-CZ 4Å; Y299-Y336 WeakPolarHBondContact O-CE2 3.33Å; Y334-Y336 WeakPolarHBondContact O-CD2 3.32Å; Y336-P339 WeakPolarHBondContact O-CD 3.47Å; Y336-L340 HydrophobicContact CD1-CD1 4.48Å; Y336-L340 VanDerWaalsContact O-CB 3.28Å; Y336-L340 WeakPolarHBondContact O-CB 3.41Å; Y336-L340 WeakPolarHBondContact O-CG 3.46Å; Y336-L340 PolarHBondContact O-N 3.2Å
337G91Very high79Confident14 Ų1433.1 Ų33.114%0.14419%0.194CC..Hα-helixtrans-56.1-59-174.800000113.5E244 L340 S341E244-G337 VanDerWaalsContact OE2-CA 3.24Å; E244-G337 WeakPolarHBondContact OE2-CA 3.23Å; G337-L340 PolarHBondContact O-N 2.83Å; G337-S341 WeakPolarHBondContact O-CB 3.19Å; G337-S341 PolarHBondContact O-N 2.92Å; G337-S341 PolarHBondContact O-OG 3.41Å; G337-S341 VanDerWaalsContact O-OG 3.08Å
338L94Very high82.2Confident30 Ų3029.3 Ų29.316%0.15717%0.17CC..Hα-helixtrans-60.1-49.2-179.8-74.1174.4000113.8L245 V296 F297 L340 S341 R342 L354L245-L338 HydrophobicContact CD2-CD2 3.62Å; V296-L338 HydrophobicContact CB-CD1 4.26Å; F297-L338 HydrophobicContact CD1-CB 4.32Å; F297-L338 HydrophobicContact CE1-CB 4.3Å; L338-L340 PolarHBondContact O-N 3.46Å; L338-S341 PolarHBondContact O-N 3.35Å; L338-R342 PolarHBondContact O-N 2.79Å; L338-L354 HydrophobicContact CD1-CD1 3.96Å; L338-L354 HydrophobicContact CD2-CD1 4.15Å
339P95.4Very high84.9Confident2 Ų227.5 Ų27.51%0.01316%0.161CC..Hα-helixtrans-56.1-47.1174.5-21.526.4000113F297 Y299 Y336 R342 L343F297-P339 WeakPolarHBondContact O-CG 3.38Å; Y299-P339 HydrophobicContact CD1-CB 3.92Å; Y299-P339 HydrophobicContact CD1-CG 4.07Å; Y299-P339 HydrophobicContact CE1-CB 3.36Å; Y299-P339 HydrophobicContact CE1-CG 4.03Å; Y299-P339 HydrophobicContact CE2-CB 4.21Å; Y299-P339 VanDerWaalsContact CZ-CB 3.48Å; Y336-P339 WeakPolarHBondContact O-CD 3.47Å; P339-R342 WeakPolarHBondContact O-CB 3.39Å; P339-R342 PolarHBondContact O-N 3.03Å; P339-L343 WeakPolarHBondContact O-CG 3.46Å; P339-L343 PolarHBondContact O-N 3.37Å
340L95.6Very high87.4Confident16 Ų1625 Ų258%0.08414%0.141CC..Hα-helixtrans-66.7-44-178.7-69.5177.1000112.1V123 Y155 Y299 Y336 G337 L338 R342 L343 Y344V123-L340 HydrophobicContact CG1-CD1 3.77Å; Y155-L340 HydrophobicContact CD1-CD2 4.24Å; Y155-L340 HydrophobicContact CD2-CD2 3.68Å; Y155-L340 HydrophobicContact CE2-CD2 4.4Å; Y155-L340 HydrophobicContact CG-CD2 3.61Å; Y299-L340 HydrophobicContact CE1-CD2 4.46Å; Y336-L340 HydrophobicContact CD1-CD1 4.48Å; Y336-L340 VanDerWaalsContact O-CB 3.28Å; Y336-L340 WeakPolarHBondContact O-CB 3.41Å; Y336-L340 WeakPolarHBondContact O-CG 3.46Å; Y336-L340 PolarHBondContact O-N 3.2Å; G337-L340 PolarHBondContact O-N 2.83Å; L338-L340 PolarHBondContact O-N 3.46Å; L340-R342 PolarHBondContact O-N 3.16Å; L340-L343 HydrophobicContact CD2-CD1 4.28Å; L340-L343 WeakPolarHBondContact O-CA 3.36Å; L340-L343 WeakPolarHBondContact O-CB 3.09Å; L340-L343 PolarHBondContact O-N 3.35Å; L340-Y344 VanDerWaalsContact O-CD2 3.23Å; L340-Y344 WeakPolarHBondContact O-CD2 3.36Å; L340-Y344 PolarHBondContact O-N 2.9Å
341S97.3Very high89.2Confident0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-56.3-39.2174-67.60000111.7E244 G337 L338 Y344 A345E244-S341 WeakPolarHBondContact CB-OG 2.96Å; G337-S341 WeakPolarHBondContact O-CB 3.19Å; G337-S341 PolarHBondContact O-N 2.92Å; G337-S341 PolarHBondContact O-OG 3.41Å; G337-S341 VanDerWaalsContact O-OG 3.08Å; L338-S341 PolarHBondContact O-N 3.35Å; S341-Y344 PolarHBondContact O-N 2.95Å; S341-A345 PolarHBondContact O-N 3.43Å
342R97.8Very high91.2Very high66 Ų6624.3 Ų24.325%0.24914%0.135CC..Hα-helixtrans-65-40.2174-172.4171.2-170-170.84112.6F297 L338 P339 L340 A345 K346 D351 L352F297-R342 HydrophobicContact CD1-CB 4.26Å; F297-R342 HydrophobicContact CE1-CB 3.97Å; F297-R342 HydrophobicContact CE1-CG 4.39Å; L338-R342 PolarHBondContact O-N 2.79Å; P339-R342 WeakPolarHBondContact O-CB 3.39Å; P339-R342 PolarHBondContact O-N 3.03Å; L340-R342 PolarHBondContact O-N 3.16Å; R342-A345 PolarHBondContact O-N 3.47Å; R342-K346 HydrophobicContact CG-CD 4.28Å; R342-K346 WeakPolarHBondContact O-CB 3.43Å; R342-K346 WeakPolarHBondContact O-CG 3.34Å; R342-K346 PolarHBondContact O-N 3.2Å; R342-D351 IonicContact CZ-OD1 3.49Å; R342-D351 IonicContact NE-OD1 3.65Å; R342-D351 PolarHBondContact NE-OD1 3.2Å; R342-D351 IonicContact NH2-OD1 3.97Å; R342-D351 IonicContact NH2-OD2 3.5Å; R342-D351 PolarHBondContact NH2-OD2 3.11Å; R342-L352 HydrophobicContact CB-CB 4.06Å; R342-L352 HydrophobicContact CB-CD2 4.21Å; R342-L352 HydrophobicContact CG-CB 4.09Å; R342-L352 PolarHBondContact NE-O 2.95Å
343L98.1Very high92.9Very high9 Ų926.2 Ų26.25%0.04714%0.141CC..Hα-helixtrans-64.9-41.9174.9-62.8-178.9000112D152 Y155 M156 I159 Y299 P339 L340 A345 K346 Y347D152-L343 HydrophobicContact CB-CD2 4.12Å; D152-L343 WeakPolarHBondContact O-CD1 3.49Å; Y155-L343 VanDerWaalsContact CB-CD1 3.44Å; M156-L343 HydrophobicContact CE-CB 4.27Å; M156-L343 HydrophobicContact CE-CD2 3.86Å; I159-L343 HydrophobicContact CD1-CB 3.93Å; Y299-L343 WeakPolarHBondContact OH-CD1 3.28Å; P339-L343 WeakPolarHBondContact O-CG 3.46Å; P339-L343 PolarHBondContact O-N 3.37Å; L340-L343 HydrophobicContact CD2-CD1 4.28Å; L340-L343 WeakPolarHBondContact O-CA 3.36Å; L340-L343 WeakPolarHBondContact O-CB 3.09Å; L340-L343 PolarHBondContact O-N 3.35Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 3.32Å; L343-K346 PolarHBondContact O-N 2.8Å; L343-Y347 WeakPolarHBondContact O-CB 3.14Å; L343-Y347 PolarHBondContact O-N 3.38Å
344Y98.1Very high94.5Very high26 Ų2626.2 Ų26.210%0.10214%0.135CC..Hα-helixtrans-59-42.9175-82.8-71.9000112.1I159 H237 H240 L340 S341I159-Y344 HydrophobicContact CB-CE1 4.49Å; I159-Y344 HydrophobicContact CD1-CD1 3.96Å; I159-Y344 HydrophobicContact CD1-CD2 4.11Å; I159-Y344 HydrophobicContact CD1-CE1 3.98Å; I159-Y344 HydrophobicContact CD1-CE2 4.13Å; I159-Y344 HydrophobicContact CD1-CG 4.03Å; I159-Y344 HydrophobicContact CG1-CD1 4.24Å; I159-Y344 HydrophobicContact CG1-CE1 3.8Å; I159-Y344 HydrophobicContact CG1-CE2 4.4Å; I159-Y344 HydrophobicContact CG2-CD1 4.05Å; I159-Y344 HydrophobicContact CG2-CE1 3.91Å; H237-Y344 HydrophobicContact CB-CD1 3.94Å; H237-Y344 AromaticContact CD2-CD1 3.87Å; H237-Y344 AromaticContact CD2-CE1 3.66Å; H237-Y344 AromaticContact CG-CD1 3.63Å; H237-Y344 AromaticContact CG-CE1 3.93Å; H237-Y344 AromaticContact ND1-CD1 3.84Å; H237-Y344 AromaticContact NE2-CE1 3.86Å; H240-Y344 AromaticContact CD2-CD2 3.26Å; H240-Y344 WeakPolarHBondContact CD2-CD2 3.28Å; H240-Y344 AromaticContact CD2-CE2 3.26Å; H240-Y344 WeakPolarHBondContact CD2-CE2 3.38Å; H240-Y344 AromaticContact CG-CE2 3.88Å; H240-Y344 AromaticContact NE2-CD2 3.81Å; H240-Y344 AromaticContact NE2-CE2 3.53Å; L340-Y344 VanDerWaalsContact O-CD2 3.23Å; L340-Y344 WeakPolarHBondContact O-CD2 3.36Å; L340-Y344 PolarHBondContact O-N 2.9Å; S341-Y344 PolarHBondContact O-N 2.95Å
345A98.2Very high95.8Very high0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-63.7-47.5174.900000111.5I241 S341 R342 L343 Y347 G350 L352 V366 L368I241-A345 HydrophobicContact CD1-CB 4.08Å; S341-A345 PolarHBondContact O-N 3.43Å; R342-A345 PolarHBondContact O-N 3.47Å; L343-A345 VanDerWaalsContact C-N 3.32Å; L343-A345 PolarHBondContact O-N 3.32Å; A345-Y347 VanDerWaalsContact C-N 3.31Å; A345-Y347 PolarHBondContact O-N 3.23Å; A345-G350 CarbonylContact O-C 3.5Å; A345-G350 WeakPolarHBondContact O-CA 3.42Å; A345-G350 PolarHBondContact O-N 3.44Å; A345-L352 HydrophobicContact CB-CB 4.37Å; A345-V366 HydrophobicContact CB-CG1 4.42Å; A345-L368 HydrophobicContact CB-CD2 4.48Å
346K98.3Very high96.6Very high59 Ų5926 Ų2626%0.25714%0.142SC..Hα-helixtrans-66.7-27.5-179.8-77.5-175.1177.7-1780114.4M156 R342 L343 F348 N349 G350 D351 L378M156-K346 HydrophobicContact CE-CB 3.84Å; R342-K346 HydrophobicContact CG-CD 4.28Å; R342-K346 WeakPolarHBondContact O-CB 3.43Å; R342-K346 WeakPolarHBondContact O-CG 3.34Å; R342-K346 PolarHBondContact O-N 3.2Å; L343-K346 PolarHBondContact O-N 2.8Å; K346-F348 PolarHBondContact O-N 3.09Å; K346-F348 VanDerWaalsContact O-N 3.17Å; K346-N349 PolarHBondContact O-N 2.92Å; K346-G350 WeakPolarHBondContact CA-O 3.33Å; K346-D351 WeakPolarHBondContact CE-OD1 3.42Å; K346-D351 IonicContact NZ-OD1 2.95Å; K346-L378 HydrophobicContact CB-CD2 4.32Å; K346-L378 WeakPolarHBondContact O-CB 3.16Å
347Y98.5Very high96.9Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-56.6-33.8-175.3175.2-122.8000112.6M156 I159 S160 M163 H237 L343 A345 E377 L378 L379M156-Y347 HydrophobicContact SD-CD2 3.88Å; M156-Y347 HydrophobicContact SD-CG 4.26Å; I159-Y347 HydrophobicContact CG2-CD1 3.64Å; I159-Y347 HydrophobicContact CG2-CD2 4.24Å; I159-Y347 HydrophobicContact CG2-CE1 3.9Å; I159-Y347 HydrophobicContact CG2-CG 3.81Å; S160-Y347 WeakPolarHBondContact CA-OH 3.26Å; M163-Y347 HydrophobicContact CB-CE1 4.18Å; M163-Y347 VanDerWaalsContact CB-OH 3.29Å; M163-Y347 WeakPolarHBondContact CB-OH 3.48Å; M163-Y347 HydrophobicContact CG-CE1 4.19Å; M163-Y347 WeakPolarHBondContact CG-OH 3.14Å; H237-Y347 AromaticContact CE1-CD1 3.95Å; H237-Y347 AromaticContact CE1-CE1 3.94Å; L343-Y347 WeakPolarHBondContact O-CB 3.14Å; L343-Y347 PolarHBondContact O-N 3.38Å; A345-Y347 VanDerWaalsContact C-N 3.31Å; A345-Y347 PolarHBondContact O-N 3.23Å; Y347-E377 HydrophobicContact CE2-CB 4.06Å; Y347-E377 HydrophobicContact CE2-CG 3.61Å; Y347-E377 WeakPolarHBondContact CE2-OE1 3.33Å; Y347-E377 CarbonylContact O-C 3.53Å; Y347-E377 VanDerWaalsContact O-CA 3.28Å; Y347-E377 WeakPolarHBondContact O-CA 3.21Å; Y347-E377 WeakPolarHBondContact OH-CG 3.47Å; Y347-E377 PolarHBondContact OH-OE1 3.41Å; Y347-L378 PolarHBondContact O-N 2.89Å; Y347-L379 HydrophobicContact CE2-CD2 4.03Å
348F98.3Very high97.2Very high2 Ų235.1 Ų35.11%0.00919%0.187CC..THydrogen-bonded Turntrans-111.845.2172.8-70.5-56.5000112.8L31 L34 M163 Y233 V234 K346 G350 A375 D376 E377L31-F348 HydrophobicContact CD1-CD2 4.29Å; L31-F348 HydrophobicContact CD1-CG 4.31Å; L31-F348 HydrophobicContact CD2-CD1 4.33Å; L31-F348 HydrophobicContact CD2-CD2 4.18Å; L31-F348 HydrophobicContact CD2-CE1 3.83Å; L31-F348 HydrophobicContact CD2-CE2 3.66Å; L31-F348 HydrophobicContact CD2-CG 4.5Å; L31-F348 HydrophobicContact CD2-CZ 3.47Å; L31-F348 VanDerWaalsContact CD2-CZ 3.47Å; L31-F348 HydrophobicContact CG-CD1 4.01Å; L31-F348 HydrophobicContact CG-CD2 4.31Å; L31-F348 HydrophobicContact CG-CE1 3.95Å; L31-F348 HydrophobicContact CG-CE2 4.25Å; L31-F348 HydrophobicContact CG-CG 4.2Å; L31-F348 HydrophobicContact CG-CZ 4.08Å; L34-F348 HydrophobicContact CD1-CZ 4.49Å; M163-F348 HydrophobicContact CE-CZ 4.2Å; Y233-F348 HydrophobicContact CE2-CB 4.36Å; Y233-F348 HydrophobicContact CE2-CD2 4.24Å; V234-F348 HydrophobicContact CG2-CE2 4.03Å; K346-F348 PolarHBondContact O-N 3.09Å; K346-F348 VanDerWaalsContact O-N 3.17Å; F348-G350 PolarHBondContact O-N 3.24Å; F348-G350 VanDerWaalsContact O-N 3.13Å; F348-A375 HydrophobicContact CB-CB 4.17Å; F348-A375 WeakPolarHBondContact CD1-O 3.32Å; F348-D376 WeakPolarHBondContact CA-O 3.38Å; F348-E377 HydrophobicContact CE1-CG 3.96Å
349N96.9Very high97.2Very high72 Ų7236 Ų3639%0.38520%0.203SC..THydrogen-bonded Turntrans58.623.2177.4-7397000115.7K346 K369 D376K346-N349 PolarHBondContact O-N 2.92Å; N349-K369 HydrophobicContact CB-CG 4.1Å; N349-K369 WeakPolarHBondContact O-CE 3.31Å; N349-D376 PolarHBondContact OD1-O 3.28Å
350G97.6Very high97.3Very high14 Ų1443 Ų4314%0.14423%0.23CC..  trans-85.8-166.2166.300000113.1A345 K346 F348 Y367A345-G350 CarbonylContact O-C 3.5Å; A345-G350 WeakPolarHBondContact O-CA 3.42Å; A345-G350 PolarHBondContact O-N 3.44Å; K346-G350 WeakPolarHBondContact CA-O 3.33Å; F348-G350 PolarHBondContact O-N 3.24Å; F348-G350 VanDerWaalsContact O-N 3.13Å; G350-Y367 CarbonylContact C-O 3.6Å; G350-Y367 WeakPolarHBondContact CA-O 3.48Å
351D97.9Very high97.3Very high43 Ų4342.4 Ų42.423%0.2323%0.228CC..EExtended strand (participates in β ladder)trans-157.6164.3165.6-156.6-0.8000110.3R342 K346 Y367R342-D351 IonicContact CZ-OD1 3.49Å; R342-D351 IonicContact NE-OD1 3.65Å; R342-D351 PolarHBondContact NE-OD1 3.2Å; R342-D351 IonicContact NH2-OD1 3.97Å; R342-D351 IonicContact NH2-OD2 3.5Å; R342-D351 PolarHBondContact NH2-OD2 3.11Å; K346-D351 WeakPolarHBondContact CE-OD1 3.42Å; K346-D351 IonicContact NZ-OD1 2.95Å; D351-Y367 PolarHBondContact N-O 3.4Å; D351-Y367 PolarHBondContact O-N 2.98Å
352L98.1Very high97.4Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-122.8123.5168169.162.1000108L245 F297 R342 A345 A364 I365 V366L245-L352 HydrophobicContact CD1-CD1 3.87Å; L245-L352 HydrophobicContact CD2-CD1 4.17Å; L245-L352 HydrophobicContact CD2-CD2 4.09Å; F297-L352 HydrophobicContact CE1-CD2 4.36Å; R342-L352 HydrophobicContact CB-CB 4.06Å; R342-L352 HydrophobicContact CB-CD2 4.21Å; R342-L352 HydrophobicContact CG-CB 4.09Å; R342-L352 PolarHBondContact NE-O 2.95Å; A345-L352 HydrophobicContact CB-CB 4.37Å; L352-A364 HydrophobicContact CD1-CB 4.45Å; L352-I365 WeakPolarHBondContact CA-O 3.37Å; L352-V366 HydrophobicContact CD1-CG2 3.9Å
353I97.1Very high97.4Very high61 Ų6142 Ų4231%0.31323%0.231SC..EExtended strand (participates in β ladder)trans-118.3148.3174.467.2171.9000110.4I365 Y367I353-I365 HydrophobicContact CD1-CB 4.21Å; I353-I365 HydrophobicContact CD1-CD1 4.07Å; I353-I365 HydrophobicContact CG1-CB 3.7Å; I353-I365 HydrophobicContact CG1-CD1 4.34Å; I353-I365 HydrophobicContact CG1-CG1 4.25Å; I353-I365 PolarHBondContact N-O 3.36Å; I353-I365 PolarHBondContact O-N 3.48Å; I353-Y367 HydrophobicContact CD1-CE2 3.68Å; I353-Y367 HydrophobicContact CG1-CE2 3.85Å
354L97Very high97.4Very high25 Ų2542 Ų4213%0.13123%0.232CC..EExtended strand (participates in β ladder)trans-117.4134172.1-64.7178.8000109.1M293 V296 F297 L338 T362 D363 A364M293-L354 HydrophobicContact CE-CB 3.81Å; M293-L354 WeakPolarHBondContact CE-O 3.45Å; V296-L354 HydrophobicContact CG2-CD1 3.81Å; F297-L354 HydrophobicContact CE2-CD1 4.16Å; F297-L354 HydrophobicContact CE2-CG 4.28Å; F297-L354 HydrophobicContact CZ-CD1 3.9Å; F297-L354 HydrophobicContact CZ-CG 3.88Å; L338-L354 HydrophobicContact CD1-CD1 3.96Å; L338-L354 HydrophobicContact CD2-CD1 4.15Å; L354-T362 HydrophobicContact CD2-CG2 4.43Å; L354-D363 CarbonylContact C-O 3.51Å; L354-D363 WeakPolarHBondContact CA-O 3.48Å; L354-A364 HydrophobicContact CD2-CB 3.36Å
355S96.6Very high97.5Very high70 Ų7042 Ų4249%0.4923%0.233SC..EExtended strand (participates in β ladder)trans-127.8113171.1-179.40000108.2D363S355-D363 PolarHBondContact N-O 3.44Å; S355-D363 PolarHBondContact O-N 3.31Å
356S96.8Very high97.5Very high24 Ų2442 Ų4217%0.16823%0.233CC..EExtended strand (participates in β ladder)trans-115.9147.9-176.7-160.30000111.7G287 I288 G361 T362G287-S356 WeakPolarHBondContact CA-OG 3.33Å; I288-S356 PolarHBondContact N-OG 3.1Å; S356-G361 PolarHBondContact OG-O 3.35Å; S356-T362 PolarHBondContact OG-OG1 3.01Å
357V96.7Very high97.5Very high86 Ų8642.8 Ų42.852%0.52124%0.235SC..EExtended strand (participates in β ladder)trans-120.4105.9172.7-179.10000107G359 Y360 G361V357-G359 PolarHBondContact O-N 3.03Å; V357-Y360 HydrophobicContact CB-CD1 4.48Å; V357-Y360 PolarHBondContact O-N 3.32Å; V357-G361 PolarHBondContact N-O 2.67Å; V357-G361 PolarHBondContact O-N 2.98Å; V357-G361 VanDerWaalsContact O-N 3.08Å
358E96.1Very high97.5Very high133 Ų13342.9 Ų42.962%0.62124%0.236SC*.THydrogen-bonded Turntrans-55.7132.4178.5-174.3178.4-174.700111.1P289 Y360P289-E358 WeakPolarHBondContact CA-OE2 3.4Å; P289-E358 HydrophobicContact CG-CG 4.36Å; E358-Y360 VanDerWaalsContact C-N 3.32Å
359G95Very high97.5Very high49 Ų4944.9 Ų44.951%0.50525%0.245SC..THydrogen-bonded Turntrans83.3-3.9-172.800000115.1Y256 G286 V357Y256-G359 PolarHBondContact OH-O 3.05Å; G286-G359 WeakPolarHBondContact O-CA 3.36Å; G286-G359 PolarHBondContact O-N 2.92Å; V357-G359 PolarHBondContact O-N 3.03Å
360Y96.4Very high97.4Very high149 Ų14946.5 Ų46.558%0.58425%0.245SC*.BIsolated β-bridgetrans-124.6-67.2-175.7-175-106.5000112.8L284 G286 V357 E358L284-Y360 CarbonylContact C-O 3.5Å; L284-Y360 VanDerWaalsContact C-O 3.31Å; L284-Y360 WeakPolarHBondContact CA-O 3.15Å; L284-Y360 HydrophobicContact CD2-CD1 4.12Å; L284-Y360 HydrophobicContact CD2-CD2 4.31Å; L284-Y360 HydrophobicContact CD2-CE1 3.61Å; L284-Y360 HydrophobicContact CD2-CE2 3.82Å; L284-Y360 HydrophobicContact CD2-CG 4.45Å; L284-Y360 VanDerWaalsContact CD2-CZ 3.44Å; G286-Y360 PolarHBondContact N-O 3.06Å; G286-Y360 PolarHBondContact O-N 3.39Å; V357-Y360 HydrophobicContact CB-CD1 4.48Å; V357-Y360 PolarHBondContact O-N 3.32Å; E358-Y360 VanDerWaalsContact C-N 3.32Å
361G97.5Very high97.3Very high3 Ų349.2 Ų49.23%0.03126%0.257CS..EExtended strand (participates in β ladder)trans170.9-178-172.200000113.8D283 S356 V357D283-G361 WeakPolarHBondContact O-CA 3.34Å; S356-G361 PolarHBondContact OG-O 3.35Å; V357-G361 PolarHBondContact N-O 2.67Å; V357-G361 PolarHBondContact O-N 2.98Å; V357-G361 VanDerWaalsContact O-N 3.08Å
362T98.4Very high97.2Very high13 Ų1347.9 Ų47.98%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-129.4137.5-176.9-53.20000112.4S282 D283 I288 L354 S356S282-T362 WeakPolarHBondContact CA-O 3.45Å; D283-T362 PolarHBondContact N-O 2.98Å; D283-T362 PolarHBondContact O-N 2.95Å; D283-T362 PolarHBondContact OD1-N 3.24Å; I288-T362 HydrophobicContact CD1-CG2 4.38Å; L354-T362 HydrophobicContact CD2-CG2 4.43Å; S356-T362 PolarHBondContact OG-OG1 3.01Å
363D98.4Very high97.1Very high45 Ų4549.5 Ų49.524%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-102.1119.7167.9-81.94.4000109.4K280 I281 S282 L354 S355K280-D363 IonicContact NZ-OD1 3.81Å; K280-D363 IonicContact NZ-OD2 2.72Å; K280-D363 PolarHBondContact NZ-OD2 3.03Å; I281-D363 WeakPolarHBondContact O-CA 3.4Å; S282-D363 WeakPolarHBondContact CB-OD1 3.44Å; S282-D363 VanDerWaalsContact OG-CG 3.31Å; S282-D363 PolarHBondContact OG-OD1 3.32Å; L354-D363 CarbonylContact C-O 3.51Å; L354-D363 WeakPolarHBondContact CA-O 3.48Å; S355-D363 PolarHBondContact N-O 3.44Å; S355-D363 PolarHBondContact O-N 3.31Å
364A98.6Very high97.1Very high7 Ų750.5 Ų50.56%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-103121.9167.600000110.3L245 K280 I281 L352 L354L245-A364 HydrophobicContact CD1-CB 4.14Å; L245-A364 HydrophobicContact CD2-CB 3.85Å; L245-A364 HydrophobicContact CG-CB 4.5Å; K280-A364 CarbonylContact C-O 3.59Å; K280-A364 WeakPolarHBondContact CA-O 3.34Å; I281-A364 PolarHBondContact N-O 3.14Å; I281-A364 PolarHBondContact O-N 3.26Å; L352-A364 HydrophobicContact CD1-CB 4.45Å; L354-A364 HydrophobicContact CD2-CB 3.36Å
365I98.5Very high97.1Very high26 Ų2649.4 Ų49.413%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-119.3115.9-176-45.9176.3000109.5T278 I279 K280 L352 I353 Y367T278-I365 HydrophobicContact CG2-CG2 3.54Å; I279-I365 WeakPolarHBondContact O-CA 3.41Å; K280-I365 HydrophobicContact CB-CG1 4.34Å; K280-I365 HydrophobicContact CD-CD1 4.23Å; K280-I365 HydrophobicContact CD-CG1 4.14Å; K280-I365 HydrophobicContact CG-CG1 3.95Å; L352-I365 WeakPolarHBondContact CA-O 3.37Å; I353-I365 HydrophobicContact CD1-CB 4.21Å; I353-I365 HydrophobicContact CD1-CD1 4.07Å; I353-I365 HydrophobicContact CG1-CB 3.7Å; I353-I365 HydrophobicContact CG1-CD1 4.34Å; I353-I365 HydrophobicContact CG1-CG1 4.25Å; I353-I365 PolarHBondContact N-O 3.36Å; I353-I365 PolarHBondContact O-N 3.48Å; I365-Y367 HydrophobicContact CB-CE2 4.21Å; I365-Y367 HydrophobicContact CG2-CD2 4.36Å; I365-Y367 HydrophobicContact CG2-CE1 3.93Å; I365-Y367 HydrophobicContact CG2-CE2 3.73Å; I365-Y367 VanDerWaalsContact CG2-CZ 3.48Å
366V98.6Very high97.1Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-97.8125.2174.9-173.50000108.6I241 L245 T278 I279 A345 L352 L368I241-V366 HydrophobicContact CG2-CG1 4.12Å; I241-V366 HydrophobicContact CG2-CG2 3.58Å; L245-V366 HydrophobicContact CD1-CG2 3.58Å; T278-V366 WeakPolarHBondContact CA-O 3.26Å; I279-V366 HydrophobicContact CB-CB 4.35Å; I279-V366 PolarHBondContact N-O 3.07Å; I279-V366 PolarHBondContact O-N 2.95Å; A345-V366 HydrophobicContact CB-CG1 4.42Å; L352-V366 HydrophobicContact CD1-CG2 3.9Å; V366-L368 HydrophobicContact CG1-CD1 4.42Å; V366-L368 HydrophobicContact CG1-CD2 4.01Å; V366-L368 HydrophobicContact CG1-CG 4Å
367Y98.3Very high97.1Very high76 Ų7648 Ų4830%0.29825%0.247SC..EExtended strand (participates in β ladder)trans-109.7127.3172.5-60.3-80.1000109.7T278 G350 D351 I353 I365T278-Y367 HydrophobicContact CG2-CD1 3.81Å; T278-Y367 HydrophobicContact CG2-CE1 3.65Å; G350-Y367 CarbonylContact C-O 3.6Å; G350-Y367 WeakPolarHBondContact CA-O 3.48Å; D351-Y367 PolarHBondContact N-O 3.4Å; D351-Y367 PolarHBondContact O-N 2.98Å; I353-Y367 HydrophobicContact CD1-CE2 3.68Å; I353-Y367 HydrophobicContact CG1-CE2 3.85Å; I365-Y367 HydrophobicContact CB-CE2 4.21Å; I365-Y367 HydrophobicContact CG2-CD2 4.36Å; I365-Y367 HydrophobicContact CG2-CE1 3.93Å; I365-Y367 HydrophobicContact CG2-CE2 3.73Å; I365-Y367 VanDerWaalsContact CG2-CZ 3.48Å
368L98.3Very high97.2Very high2 Ų247.7 Ų47.71%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-127.6144.6177-57.7177.8000109.9F231 Y233 L238 N276 V277 A345 V366 R370F231-L368 HydrophobicContact CE2-CB 4.1Å; F231-L368 HydrophobicContact CE2-CD1 4.37Å; F231-L368 HydrophobicContact CZ-CB 4.24Å; F231-L368 HydrophobicContact CZ-CD1 3.74Å; Y233-L368 HydrophobicContact CD1-CD1 4.48Å; Y233-L368 HydrophobicContact CE1-CD1 4.1Å; Y233-L368 HydrophobicContact CE1-CD2 4.44Å; Y233-L368 HydrophobicContact CE2-CB 4.5Å; Y233-L368 HydrophobicContact CE2-CD1 4.33Å; Y233-L368 HydrophobicContact CE2-CD2 4.08Å; Y233-L368 VanDerWaalsContact OH-CD2 3.31Å; Y233-L368 WeakPolarHBondContact OH-CD2 3.14Å; L238-L368 HydrophobicContact CD1-CD1 3.92Å; N276-L368 CarbonylContact C-O 3.47Å; N276-L368 WeakPolarHBondContact CA-O 3.46Å; V277-L368 PolarHBondContact N-O 3.31Å; V277-L368 PolarHBondContact O-N 2.71Å; A345-L368 HydrophobicContact CB-CD2 4.48Å; V366-L368 HydrophobicContact CG1-CD1 4.42Å; V366-L368 HydrophobicContact CG1-CD2 4.01Å; V366-L368 HydrophobicContact CG1-CG 4Å; L368-R370 PolarHBondContact O-N 3.31Å
369K97.7Very high97.3Very high44 Ų4442.5 Ų42.519%0.19122%0.219CC..EExtended strand (participates in β ladder)trans-67.3124.6175.8-69-63.3-176.3-1790110.6N349 E374 A375N349-K369 HydrophobicContact CB-CG 4.1Å; N349-K369 WeakPolarHBondContact O-CE 3.31Å; K369-E374 HydrophobicContact CD-CB 4.39Å; K369-A375 HydrophobicContact CB-CB 4Å
370R95.2Very high97.4Very high107 Ų10740.5 Ų40.540%0.40420%0.197SC..SBendtrans-71.1-39.4176-176.4-179.6178.1-177.3-2.3111.2G273 E275 V277 L368G273-R370 WeakPolarHBondContact O-CD 3.03Å; G273-R370 PolarHBondContact O-NH1 2.97Å; E275-R370 WeakPolarHBondContact O-CB 3.2Å; E275-R370 PolarHBondContact O-N 2.91Å; V277-R370 HydrophobicContact CG2-CB 4.2Å; V277-R370 HydrophobicContact CG2-CG 4.28Å; L368-R370 PolarHBondContact O-N 3.31Å
371N95.8Very high97.3Very high71 Ų7135.5 Ų35.538%0.3818%0.182SC..SBendtrans-88.3116.7-178.9-1761.1000111A373 E374 A375N371-A373 PolarHBondContact O-N 2.98Å; N371-A373 WeakPolarHBondContact OD1-CB 3.41Å; N371-A373 PolarHBondContact OD1-N 2.8Å; N371-E374 HydrophobicContact CB-CG 4.36Å; N371-E374 PolarHBondContact ND2-OE1 2.79Å; N371-E374 PolarHBondContact O-N 3.44Å; N371-A375 PolarHBondContact O-N 2.83Å
372A96.3Very high97.2Very high15 Ų1536.8 Ų36.812%0.12419%0.187CC..THydrogen-bonded Turntrans-57.9-22.117800000114L31 K32 V232 E374L31-A372 HydrophobicContact CB-CB 4.15Å; K32-A372 HydrophobicContact CB-CB 4.09Å; K32-A372 WeakPolarHBondContact CB-O 3.35Å; K32-A372 PolarHBondContact N-O 3.15Å; V232-A372 HydrophobicContact CB-CB 3.78Å; V232-A372 HydrophobicContact CG1-CB 3.8Å; V232-A372 HydrophobicContact CG2-CB 4.05Å; A372-E374 VanDerWaalsContact C-N 3.33Å
373A96.3Very high96.9Very high34 Ų3439.5 Ų39.528%0.28120%0.201SC..THydrogen-bonded Turntrans-73.5-24.9177.600000113.3K32 N371K32-A373 HydrophobicContact CB-CB 4.44Å; K32-A373 HydrophobicContact CD-CB 3.68Å; N371-A373 PolarHBondContact O-N 2.98Å; N371-A373 WeakPolarHBondContact OD1-CB 3.41Å; N371-A373 PolarHBondContact OD1-N 2.8Å
374E95.8Very high96.5Very high82 Ų8247.7 Ų47.738%0.38323%0.228SC..THydrogen-bonded Turntrans-100.5-9.1-179.1-66.2164.4-14500112.4K369 N371 A372 D376K369-E374 HydrophobicContact CD-CB 4.39Å; N371-E374 HydrophobicContact CB-CG 4.36Å; N371-E374 PolarHBondContact ND2-OE1 2.79Å; N371-E374 PolarHBondContact O-N 3.44Å; A372-E374 VanDerWaalsContact C-N 3.33Å; E374-D376 PolarHBondContact O-N 2.81Å; E374-D376 VanDerWaalsContact O-N 3.07Å
375A97.1Very high96.2Very high1 Ų151.8 Ų51.81%0.00825%0.253CS..  trans-81.665.1174.500000110.2S30 L31 F348 K369 N371S30-A375 CarbonylContact C-O 3.58Å; S30-A375 WeakPolarHBondContact CA-O 3.47Å; L31-A375 HydrophobicContact CB-CB 4.2Å; L31-A375 HydrophobicContact CD1-CB 3.73Å; L31-A375 HydrophobicContact CG-CB 3.98Å; L31-A375 PolarHBondContact N-O 3.33Å; F348-A375 HydrophobicContact CB-CB 4.17Å; F348-A375 WeakPolarHBondContact CD1-O 3.32Å; K369-A375 HydrophobicContact CB-CB 4Å; N371-A375 PolarHBondContact O-N 2.83Å
376D97.1Very high95.8Very high58 Ų5850.7 Ų50.731%0.3125%0.248SC..BIsolated β-bridgetrans-79.3150.1175.6-75.1-60.1000111.6S30 F348 N349 E374 L378S30-D376 VanDerWaalsContact CB-OD1 3.23Å; S30-D376 WeakPolarHBondContact CB-OD1 3.34Å; F348-D376 WeakPolarHBondContact CA-O 3.38Å; N349-D376 PolarHBondContact OD1-O 3.28Å; E374-D376 PolarHBondContact O-N 2.81Å; E374-D376 VanDerWaalsContact O-N 3.07Å; D376-L378 PolarHBondContact O-N 2.83Å
377E98.2Very high95.4Very high7 Ų751.4 Ų51.43%0.03325%0.253CS..  trans-61.9126.8170-77.5-176.310300111.6P28 L29 R57 S160 Y347 F348 L379P28-E377 HydrophobicContact CB-CB 3.97Å; P28-E377 VanDerWaalsContact CB-O 3.25Å; P28-E377 WeakPolarHBondContact CB-O 3.36Å; L29-E377 PolarHBondContact N-OE2 2.85Å; L29-E377 VanDerWaalsContact O-CG 3.3Å; L29-E377 WeakPolarHBondContact O-CG 3.39Å; L29-E377 PolarHBondContact O-N 3.17Å; R57-E377 IonicContact CZ-OE1 2.72Å; R57-E377 IonicContact CZ-OE2 2.88Å; R57-E377 IonicContact NH1-OE1 3.24Å; R57-E377 PolarHBondContact NH1-OE1 3.28Å; R57-E377 IonicContact NH1-OE2 2.87Å; R57-E377 IonicContact NH2-OE1 3.99Å; R57-E377 PolarHBondContact NH2-OE1 3.47Å; R57-E377 IonicContact NH2-OE2 3.86Å; R57-E377 PolarHBondContact NH2-OE2 3.47Å; S160-E377 PolarHBondContact OG-OE1 3.47Å; Y347-E377 HydrophobicContact CE2-CB 4.06Å; Y347-E377 HydrophobicContact CE2-CG 3.61Å; Y347-E377 WeakPolarHBondContact CE2-OE1 3.33Å; Y347-E377 CarbonylContact O-C 3.53Å; Y347-E377 VanDerWaalsContact O-CA 3.28Å; Y347-E377 WeakPolarHBondContact O-CA 3.21Å; Y347-E377 WeakPolarHBondContact OH-CG 3.47Å; Y347-E377 PolarHBondContact OH-OE1 3.41Å; F348-E377 HydrophobicContact CE1-CG 3.96Å; E377-L379 HydrophobicContact CB-CD1 4.3Å; E377-L379 HydrophobicContact CB-CD2 3.9Å; E377-L379 HydrophobicContact CB-CG 3.91Å; E377-L379 HydrophobicContact CG-CD2 4.46Å
378L97.7Very high95Very high79 Ų7955.2 Ų55.241%0.41427%0.271SS..  trans-90.8104.3166.9-178.662.8000110.3M156 K346 Y347 D376M156-L378 HydrophobicContact CE-CD2 4.33Å; M156-L378 WeakPolarHBondContact CG-O 3.31Å; K346-L378 HydrophobicContact CB-CD2 4.32Å; K346-L378 WeakPolarHBondContact O-CB 3.16Å; Y347-L378 PolarHBondContact O-N 2.89Å; D376-L378 PolarHBondContact O-N 2.83Å
379L97.7Very high94.5Very high24 Ų2460.1 Ų60.113%0.12629%0.294CS..  trans-110.2140.2-173.3-56.2-177.4000113.3P26 P28 S160 Y347 E377 V381P26-L379 HydrophobicContact CB-CB 4.29Å; P26-L379 HydrophobicContact CB-CD1 3.67Å; P28-L379 HydrophobicContact CB-CD1 4.3Å; S160-L379 WeakPolarHBondContact OG-CD2 3.4Å; Y347-L379 HydrophobicContact CE2-CD2 4.03Å; E377-L379 HydrophobicContact CB-CD1 4.3Å; E377-L379 HydrophobicContact CB-CD2 3.9Å; E377-L379 HydrophobicContact CB-CG 3.91Å; E377-L379 HydrophobicContact CG-CD2 4.46Å; L379-V381 PolarHBondContact O-N 2.93Å
380P96.7Very high94Very high8 Ų858.9 Ų58.95%0.05229%0.288CS..  trans-72.2127.4169.928.4-29.9000110.3R153 M157R153-P380 HydrophobicContact CB-CB 3.81Å; R153-P380 HydrophobicContact CB-CG 4.3Å; R153-P380 HydrophobicContact CG-CB 4.03Å; R153-P380 WeakPolarHBondContact O-CG 3.41Å; M157-P380 HydrophobicContact CB-CG 3.85Å; M157-P380 HydrophobicContact CE-CG 3.66Å; M157-P380 WeakPolarHBondContact CE-O 3.33Å; M157-P380 HydrophobicContact SD-CG 4.38Å
381V95.8Very high92.9Very high43 Ų4356 Ų5626%0.26129%0.292SS..  trans-106.4126.4175.3-176.60000109.6T25 R153 L379T25-V381 HydrophobicContact CG2-CG1 4.02Å; T25-V381 HydrophobicContact CG2-CG2 3.91Å; R153-V381 VanDerWaalsContact NH2-C 3.3Å; R153-V381 PolarHBondContact NH2-O 3.44Å; L379-V381 PolarHBondContact O-N 2.93Å
382F94.2Very high91.2Very high30 Ų3057.6 Ų57.613%0.13231%0.309CS..  trans-78.5123.3172.1-175.5-96.1000110.6N60 Q63 E64 L67 S386 A387N60-F382 HydrophobicContact CB-CB 4.17Å; N60-F382 WeakPolarHBondContact OD1-CB 3.2Å; N60-F382 PolarHBondContact OD1-N 3.08Å; Q63-F382 HydrophobicContact CB-CD1 4.01Å; Q63-F382 HydrophobicContact CB-CD2 3.97Å; Q63-F382 HydrophobicContact CB-CE1 3.98Å; Q63-F382 HydrophobicContact CB-CE2 3.93Å; Q63-F382 HydrophobicContact CB-CG 3.96Å; Q63-F382 HydrophobicContact CB-CZ 3.92Å; E64-F382 HydrophobicContact CG-CD2 3.47Å; E64-F382 VanDerWaalsContact CG-CD2 3.47Å; E64-F382 HydrophobicContact CG-CE2 4.01Å; L67-F382 HydrophobicContact CD1-CE2 3.63Å; L67-F382 HydrophobicContact CD1-CZ 3.91Å; F382-S386 WeakPolarHBondContact CA-OG 3.48Å; F382-A387 HydrophobicContact CE2-CB 4.22Å; F382-A387 HydrophobicContact CZ-CB 4.09Å
383N92.6Very high89.2Confident71 Ų7160.1 Ų60.138%0.3833%0.329SS..SBendtrans-156.7-173.8176.960.440.7000110.5T385 S386 A387N383-T385 PolarHBondContact O-N 2.8Å; N383-T385 VanDerWaalsContact OD1-CA 3.32Å; N383-T385 WeakPolarHBondContact OD1-CA 3.35Å; N383-T385 WeakPolarHBondContact OD1-CB 3.46Å; N383-T385 PolarHBondContact OD1-N 2.86Å; N383-S386 PolarHBondContact N-OG 2.98Å; N383-S386 PolarHBondContact O-N 2.91Å; N383-S386 PolarHBondContact O-OG 2.81Å; N383-S386 VanDerWaalsContact O-OG 3.09Å; N383-S386 PolarHBondContact OD1-N 2.8Å; N383-A387 WeakPolarHBondContact O-CB 3.4Å; N383-A387 PolarHBondContact O-N 2.83Å
384R90.5Very high87.2Confident216 Ų21663.1 Ų63.182%0.81535%0.349SS*.Hα-helixtrans-59.8-30.2178-67.2-175.7-179.2175.71.4113.3K388R384-K388 VanDerWaalsContact O-CG 3.28Å; R384-K388 WeakPolarHBondContact O-CG 3.19Å; R384-K388 PolarHBondContact O-N 2.99Å
385T91.2Very high85.4Confident94 Ų9465.9 Ų65.958%0.57736%0.364SS*.Hα-helixtrans-75.2-45.5179.9-55.30000111.1N383 K388N383-T385 PolarHBondContact O-N 2.8Å; N383-T385 VanDerWaalsContact OD1-CA 3.32Å; N383-T385 WeakPolarHBondContact OD1-CA 3.35Å; N383-T385 WeakPolarHBondContact OD1-CB 3.46Å; N383-T385 PolarHBondContact OD1-N 2.86Å; T385-K388 PolarHBondContact O-N 2.72Å
386S91.3Very high83.7Confident3 Ų370 Ų702%0.02139%0.391CS..Hα-helixtrans-65.3-41174.967.20000111.3Y149 F382 N383 K388 Q389 Y390Y149-S386 WeakPolarHBondContact OH-CB 3.46Å; F382-S386 WeakPolarHBondContact CA-OG 3.48Å; N383-S386 PolarHBondContact N-OG 2.98Å; N383-S386 PolarHBondContact O-N 2.91Å; N383-S386 PolarHBondContact O-OG 2.81Å; N383-S386 VanDerWaalsContact O-OG 3.09Å; N383-S386 PolarHBondContact OD1-N 2.8Å; S386-K388 PolarHBondContact O-N 2.88Å; S386-Q389 WeakPolarHBondContact O-CB 3.46Å; S386-Q389 PolarHBondContact O-N 3Å; S386-Y390 WeakPolarHBondContact O-CD2 3.49Å
387A90.3Very high82.1Confident14 Ų1473.9 Ų73.912%0.11642%0.416CS..Hα-helixtrans-59.5-32.7176.500000113.2L67 F382 N383 Q389 Y390 G391L67-A387 HydrophobicContact CD1-CB 3.79Å; F382-A387 HydrophobicContact CE2-CB 4.22Å; F382-A387 HydrophobicContact CZ-CB 4.09Å; N383-A387 WeakPolarHBondContact O-CB 3.4Å; N383-A387 PolarHBondContact O-N 2.83Å; A387-Q389 VanDerWaalsContact C-N 3.29Å; A387-Q389 PolarHBondContact O-N 2.8Å; A387-Y390 PolarHBondContact O-N 2.84Å; A387-G391 PolarHBondContact O-N 3.31Å
388K89.1Confident80.9Confident157 Ų15776.3 Ų76.368%0.68344%0.438SS*.Hα-helixtrans-67.1-27176.5-82.1175.6-178.6-173.50113.2R384 T385 S386 Y390 G391R384-K388 VanDerWaalsContact O-CG 3.28Å; R384-K388 WeakPolarHBondContact O-CG 3.19Å; R384-K388 PolarHBondContact O-N 2.99Å; T385-K388 PolarHBondContact O-N 2.72Å; S386-K388 PolarHBondContact O-N 2.88Å; K388-Y390 PolarHBondContact O-N 2.91Å; K388-G391 PolarHBondContact O-N 2.79Å; K388-G391 VanDerWaalsContact O-N 3.09Å
389Q88.3Confident80Confident104 Ų10479.1 Ų79.149%0.48645%0.453SS..Hα-helixtrans-64-25.3177-60.2-63-31.500111.8Y149 S386 A387Y149-Q389 HydrophobicContact CD1-CB 3.77Å; Y149-Q389 HydrophobicContact CD1-CG 4.3Å; Y149-Q389 HydrophobicContact CD2-CG 4.38Å; Y149-Q389 HydrophobicContact CE1-CB 3.58Å; Y149-Q389 HydrophobicContact CE1-CG 3.79Å; Y149-Q389 HydrophobicContact CE2-CB 4.39Å; Y149-Q389 HydrophobicContact CE2-CG 3.87Å; Y149-Q389 HydrophobicContact CG-CB 4.26Å; S386-Q389 WeakPolarHBondContact O-CB 3.46Å; S386-Q389 PolarHBondContact O-N 3Å; A387-Q389 VanDerWaalsContact C-N 3.29Å; A387-Q389 PolarHBondContact O-N 2.8Å
390Y87.4Confident79.3Confident18 Ų1887.6 Ų87.67%0.07148%0.484CS..Hα-helixtrans-91.8-16.8175.2-54.8-66.6000113.6E64 L67 L68 Q146 Y149 F150 S386 A387 K388E64-Y390 HydrophobicContact CB-CE2 4.14Å; E64-Y390 HydrophobicContact CG-CE2 4.03Å; E64-Y390 PolarHBondContact OE2-OH 2.86Å; L67-Y390 HydrophobicContact CB-CD2 3.75Å; L67-Y390 HydrophobicContact CB-CE2 4.49Å; L67-Y390 HydrophobicContact CB-CG 3.76Å; L67-Y390 HydrophobicContact CD1-CD2 3.75Å; L67-Y390 HydrophobicContact CD1-CG 4.43Å; L67-Y390 HydrophobicContact CG-CD2 4.43Å; L68-Y390 HydrophobicContact CD2-CE1 4.45Å; Q146-Y390 PolarHBondContact NE2-O 3.22Å; Y149-Y390 AromaticContact CD1-CE1 4Å; Y149-Y390 HydrophobicContact CD1-CE1 4Å; Y149-Y390 HydrophobicContact CD1-CE2 4.28Å; Y149-Y390 AromaticContact CD1-CZ 3.67Å; Y149-Y390 WeakPolarHBondContact CD1-OH 3.42Å; Y149-Y390 HydrophobicContact CE1-CE2 4.03Å; Y149-Y390 AromaticContact CE1-CZ 3.84Å; F150-Y390 WeakPolarHBondContact CA-OH 3.39Å; F150-Y390 HydrophobicContact CB-CE1 3.93Å; S386-Y390 WeakPolarHBondContact O-CD2 3.49Å; A387-Y390 PolarHBondContact O-N 2.84Å; K388-Y390 PolarHBondContact O-N 2.91Å
391G72.5Confident78.6Confident46 Ų4692.1 Ų92.147%0.47452%0.515SS..SBendtrans-94.1122.5-171.500000114.2A387 K388A387-G391 PolarHBondContact O-N 3.31Å; K388-G391 PolarHBondContact O-N 2.79Å; K388-G391 VanDerWaalsContact O-N 3.09Å
392S60Low77.3Confident106 Ų10692.9 Ų92.974%0.74152%0.518SS*.  trans54.795170.2-690000116.5S394S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 2.78Å
393A53.9Low76.2Confident67 Ų6795 Ų9555%0.55454%0.535SS*.  trans-54.269.2164.900000114.3V142 I395V142-A393 HydrophobicContact CB-CB 4.33Å; V142-A393 HydrophobicContact CG1-CB 3.62Å; V142-A393 HydrophobicContact CG2-CB 4.39Å; A393-I395 PolarHBondContact O-N 3.5Å
394S53.3Low74.7Confident98 Ų9899.8 Ų99.869%0.68556%0.555SS**  trans-66.3114.4148.856.50000105.6S392 P396S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 2.78Å; S394-P396 VanDerWaalsContact O-CD 3.31Å; S394-P396 WeakPolarHBondContact O-CD 3.48Å
395I57.7Low73.2Confident140 Ų14095.6 Ų95.672%0.71855%0.547SS*.  trans-45.5118.6165-62.1168.8000105.2A393 V397A393-I395 PolarHBondContact O-N 3.5Å; I395-V397 PolarHBondContact O-N 2.89Å
396P62Low71.4Confident87 Ų8795.3 Ų95.357%0.56555%0.546SS*.  trans-53.9115.4179.3-22.931.8000107.1S394 A398S394-P396 VanDerWaalsContact O-CD 3.31Å; S394-P396 WeakPolarHBondContact O-CD 3.48Å; P396-A398 PolarHBondContact O-N 2.86Å; P396-A398 VanDerWaalsContact O-N 3.16Å
397V64.9Low69.5Low139 Ų13999.3 Ų99.384%0.84257%0.57SS**  trans-66.8117.5168.7179.70000104.2I395 D399I395-V397 PolarHBondContact O-N 2.89Å; V397-D399 PolarHBondContact O-N 2.53Å; V397-D399 VanDerWaalsContact O-N 3.14Å
398A71.4Confident67.3Low58 Ų58102.1 Ų102.148%0.47960%0.6SS.*  trans-55.2123.5177.100000108.4P396 W400P396-A398 PolarHBondContact O-N 2.86Å; P396-A398 VanDerWaalsContact O-N 3.16Å; A398-W400 WeakPolarHBondContact CB-O 3.38Å; A398-W400 PolarHBondContact O-N 3.18Å
399D78.8Confident65.2Low139 Ų139106.5 Ų106.574%0.74361%0.613SS**SBendtrans-73.6-13.1175.762-31.3000111.9V397V397-D399 PolarHBondContact O-N 2.53Å; V397-D399 VanDerWaalsContact O-N 3.14Å
400W82.9Confident63.2Low201 Ų201112.5 Ų112.576%0.76163%0.631SS**SBendtrans-116.4149.2173.3-60.692.3000111.9A398 N402A398-W400 WeakPolarHBondContact CB-O 3.38Å; A398-W400 PolarHBondContact O-N 3.18Å; W400-N402 PolarHBondContact O-N 2.81Å
401S81.9Confident61Low103 Ų103123 Ų12372%0.7267%0.67SS**  trans-61.5125.4173.757.90000110.8
402N69.5Low59.4Low59 Ų59132.4 Ų132.432%0.31671%0.71SS.*  trans-108.6111.1172.4-177.5-21.5000109.5W400 H404 I405 T406W400-N402 PolarHBondContact O-N 2.81Å; N402-H404 PolarHBondContact O-N 2.91Å; N402-H404 VanDerWaalsContact O-N 3.08Å; N402-H404 WeakPolarHBondContact OD1-CB 3.42Å; N402-H404 PolarHBondContact OD1-N 2.87Å; N402-I405 HydrophobicContact CB-CB 4.17Å; N402-I405 HydrophobicContact CB-CD1 3.97Å; N402-I405 HydrophobicContact CB-CG1 4.06Å; N402-I405 PolarHBondContact O-N 3.34Å; N402-T406 PolarHBondContact O-N 2.88Å; N402-T406 PolarHBondContact O-OG1 3.06Å
403P70.3Confident59.4Low76 Ų76133.8 Ų133.849%0.49471%0.708SS.*Hα-helixtrans-58.4-26.1-177.722.4-31.3000113I405 T407P403-I405 VanDerWaalsContact C-N 3.31Å; P403-I405 PolarHBondContact O-N 2.81Å; P403-T407 HydrophobicContact CB-CG2 4.3Å; P403-T407 VanDerWaalsContact O-CB 3.29Å; P403-T407 WeakPolarHBondContact O-CB 3.45Å; P403-T407 VanDerWaalsContact O-CG2 3.23Å; P403-T407 WeakPolarHBondContact O-CG2 3.21Å; P403-T407 PolarHBondContact O-N 3.47Å; P403-T407 PolarHBondContact O-OG1 3.29Å
404H62.5Low59.6Low171 Ų171137.3 Ų137.379%0.79272%0.716SS**Hα-helixtrans-74.5-19.7175.7-60.3-70.8000113.8N402N402-H404 PolarHBondContact O-N 2.91Å; N402-H404 VanDerWaalsContact O-N 3.08Å; N402-H404 WeakPolarHBondContact OD1-CB 3.42Å; N402-H404 PolarHBondContact OD1-N 2.87Å
405I57.8Low60Low127 Ų127139.4 Ų139.465%0.65172%0.718SS**Hα-helixtrans-99.2-33.8178.3-58.7177.2000110.5N402 P403N402-I405 HydrophobicContact CB-CB 4.17Å; N402-I405 HydrophobicContact CB-CD1 3.97Å; N402-I405 HydrophobicContact CB-CG1 4.06Å; N402-I405 PolarHBondContact O-N 3.34Å; P403-I405 VanDerWaalsContact C-N 3.31Å; P403-I405 PolarHBondContact O-N 2.81Å
406T54.1Low60.1Low89 Ų89139.4 Ų139.455%0.54672%0.718SS.*Hα-helixtrans-94-15-173.9440000115.6N402N402-T406 PolarHBondContact O-N 2.88Å; N402-T406 PolarHBondContact O-OG1 3.06Å
407T50.1Low60Low86 Ų86142.7 Ų142.753%0.52873%0.728SS.*  trans-956.3-172.963.20000116P403 W409 R410P403-T407 HydrophobicContact CB-CG2 4.3Å; P403-T407 VanDerWaalsContact O-CB 3.29Å; P403-T407 WeakPolarHBondContact O-CB 3.45Å; P403-T407 VanDerWaalsContact O-CG2 3.23Å; P403-T407 WeakPolarHBondContact O-CG2 3.21Å; P403-T407 PolarHBondContact O-N 3.47Å; P403-T407 PolarHBondContact O-OG1 3.29Å; T407-W409 PolarHBondContact O-N 3.15Å; T407-R410 PolarHBondContact O-N 2.95Å
408G45.6Very low59.7Low73 Ų73142.9 Ų142.975%0.75372%0.72SS**THydrogen-bonded Turntrans-60.6-7.4178.700000116.2
409W45.1Very low58.9Low250 Ų250149 Ų14995%0.94774%0.737SS**THydrogen-bonded Turntrans-103.42.7-178.9-73.684.7000115T407T407-W409 PolarHBondContact O-N 3.15Å
410R45.7Very low57.3Low229 Ų229149.8 Ų149.886%0.86474%0.737SS**SBendtrans-114.529.6-175.9-75.3-161.9179.5-152.92.2115.7T407T407-R410 PolarHBondContact O-N 2.95Å
411R40.7Very low55.2Low240 Ų240145.5 Ų145.591%0.90674%0.735SS**  trans-128.985.8165.6-73.4-173.6176.8180-1.1109.8
412N39.1Very low52.8Low243 Ų243149.4 Ų149.4100%1.29974%0.736SS**  trans-102.50147.5-88-9.3000107.3

Retrieved 412 of 412 residues in 366.1 ms (Link to these results)

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