A0A087XC50_POEFO Loading...

Exosome RNA helicase MTR4

AlphaFold DB , UniProt , Accession A0A087XC50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 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
1S54.8Low86.6Confident120 Ų12078.7 Ų78.784%0.83939%0.392SS*.  0127.60175.70000107.5R3S1-R3 VanDerWaalsContact C-N 3.35Å; S1-R3 PolarHBondContact O-N 2.62Å
2E71.6Confident87.2Confident139 Ų13972.8 Ų72.865%0.6536%0.363SS*.THydrogen-bonded Turntrans-62.1-38.1-175.8-75.6180156.800112.8
3R83.2Confident87.7Confident192 Ų19273.3 Ų73.373%0.72537%0.367SS*.THydrogen-bonded Turntrans-90.4-6.5-173-62.3-178.167.2-171.51.4115S1 V5 V6S1-R3 VanDerWaalsContact C-N 3.35Å; S1-R3 PolarHBondContact O-N 2.62Å; R3-V5 VanDerWaalsContact C-N 3.31Å; R3-V5 PolarHBondContact O-N 3.02Å; R3-V6 PolarHBondContact O-N 3.36Å
4G86.9Confident88.2Confident17 Ų1772.5 Ų72.518%0.17536%0.364CS..Hα-helixtrans-64.7-34.9-174.800000113.2V6 W7G4-V6 VanDerWaalsContact C-N 3.31Å; G4-V6 PolarHBondContact O-N 3.3Å; G4-W7 PolarHBondContact O-N 3.22Å
5V91.3Very high88.6Confident6 Ų672.5 Ų72.54%0.03637%0.371CS..Hα-helixtrans-61.1-38.2178.5630000112.6R3 W7 E8 E9 F309 H310 M315R3-V5 VanDerWaalsContact C-N 3.31Å; R3-V5 PolarHBondContact O-N 3.02Å; V5-W7 VanDerWaalsContact C-N 3.31Å; V5-W7 PolarHBondContact O-N 2.84Å; V5-E8 PolarHBondContact O-N 3.21Å; V5-E9 WeakPolarHBondContact O-CB 3.37Å; V5-E9 PolarHBondContact O-N 3.16Å; V5-F309 HydrophobicContact CG2-CD2 3.96Å; V5-F309 HydrophobicContact CG2-CE2 4.09Å; V5-F309 HydrophobicContact CG2-CG 4.48Å; V5-H310 WeakPolarHBondContact CG2-O 3.41Å; V5-M315 HydrophobicContact CG2-SD 4.48Å
6V91.9Very high88.9Confident78 Ų7873.4 Ų73.447%0.47338%0.377SS..Hα-helixtrans-63.5-37.4-177.6-177.10000111.5R3 G4 T10R3-V6 PolarHBondContact O-N 3.36Å; G4-V6 VanDerWaalsContact C-N 3.31Å; G4-V6 PolarHBondContact O-N 3.3Å; V6-T10 VanDerWaalsContact O-CB 3.27Å; V6-T10 WeakPolarHBondContact O-CB 3.13Å; V6-T10 PolarHBondContact O-N 3Å; V6-T10 PolarHBondContact O-OG1 2.88Å
7W94.3Very high89.3Confident179 Ų17976.7 Ų76.768%0.67840%0.396SS*.Hα-helixtrans-64.2-44.7176.2-74.598.9000111.8G4 V5 I11G4-W7 PolarHBondContact O-N 3.22Å; V5-W7 VanDerWaalsContact C-N 3.31Å; V5-W7 PolarHBondContact O-N 2.84Å; W7-I11 WeakPolarHBondContact O-CD1 3.5Å; W7-I11 VanDerWaalsContact O-CG1 3.22Å; W7-I11 WeakPolarHBondContact O-CG1 3.25Å; W7-I11 PolarHBondContact O-N 3.46Å
8E94.6Very high89.7Confident14 Ų1475.4 Ų75.47%0.06539%0.391CS..Hα-helixtrans-68.3-45.8179.1-71.8-176.5-127.700111.8V5 T10 I11 I12 W36 S307 F309 F335V5-E8 PolarHBondContact O-N 3.21Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 3.39Å; E8-I11 PolarHBondContact O-N 3.25Å; E8-I12 WeakPolarHBondContact O-CB 3.4Å; E8-I12 WeakPolarHBondContact O-CD1 3.48Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 2.71Å; E8-W36 HydrophobicContact CG-CH2 4.25Å; E8-S307 WeakPolarHBondContact OE1-CA 3.33Å; E8-S307 WeakPolarHBondContact OE1-CB 3.11Å; E8-S307 PolarHBondContact OE1-OG 3.39Å; E8-S307 PolarHBondContact OE2-OG 3.43Å; E8-S307 VanDerWaalsContact OE2-OG 3.13Å; E8-F309 HydrophobicContact CB-CD2 4.11Å; E8-F335 HydrophobicContact CG-CB 4.29Å; E8-F335 VanDerWaalsContact OE2-CB 3.25Å; E8-F335 WeakPolarHBondContact OE2-CB 3.4Å; E8-F335 PolarHBondContact OE2-N 3.35Å
9E92.9Very high90Very high35 Ų3579.7 Ų79.716%0.16441%0.409CS..Hα-helixtrans-56.4-46.8175.5-179.7176-160.700110.9V5 I11 I12 L13 M330V5-E9 WeakPolarHBondContact O-CB 3.37Å; V5-E9 PolarHBondContact O-N 3.16Å; E9-I11 PolarHBondContact O-N 2.89Å; E9-I12 PolarHBondContact O-N 3.18Å; E9-L13 HydrophobicContact CG-CD1 3.84Å; E9-L13 HydrophobicContact CG-CG 4.46Å; E9-L13 WeakPolarHBondContact O-CB 3.49Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.3Å; E9-L13 PolarHBondContact O-N 2.83Å; E9-M330 HydrophobicContact CG-CE 3.95Å
10T94.9Very high90.3Very high71 Ų7178.1 Ų78.144%0.43640%0.398SS..Hα-helixtrans-60.6-47.3177.9-580000111.3V6 E8 I12 L13 L14V6-T10 VanDerWaalsContact O-CB 3.27Å; V6-T10 WeakPolarHBondContact O-CB 3.13Å; V6-T10 PolarHBondContact O-N 3Å; V6-T10 PolarHBondContact O-OG1 2.88Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 3.39Å; T10-I12 VanDerWaalsContact C-N 3.35Å; T10-I12 PolarHBondContact O-N 2.78Å; T10-L13 PolarHBondContact O-N 3.32Å; T10-L14 HydrophobicContact CG2-CD1 4.22Å; T10-L14 VanDerWaalsContact O-CG 3.25Å; T10-L14 WeakPolarHBondContact O-CG 3.43Å; T10-L14 PolarHBondContact O-N 2.94Å; T10-L14 VanDerWaalsContact O-N 3.1Å
11I96.1Very high90.6Very high15 Ų1580.6 Ų80.68%0.07742%0.417CS..Hα-helixtrans-61.8-43.9179.2-69.2166.6000110.6W7 E8 E9 L13 L14 F22 F33 W36 I37 L40 H41W7-I11 WeakPolarHBondContact O-CD1 3.5Å; W7-I11 VanDerWaalsContact O-CG1 3.22Å; W7-I11 WeakPolarHBondContact O-CG1 3.25Å; W7-I11 PolarHBondContact O-N 3.46Å; E8-I11 PolarHBondContact O-N 3.25Å; E9-I11 PolarHBondContact O-N 2.89Å; I11-L13 PolarHBondContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 2.66Å; I11-F22 HydrophobicContact CD1-CE1 4.09Å; I11-F33 HydrophobicContact CD1-CZ 4.27Å; I11-W36 HydrophobicContact CB-CH2 4.04Å; I11-W36 HydrophobicContact CD1-CH2 4.16Å; I11-W36 HydrophobicContact CD1-CZ3 4.03Å; I11-W36 HydrophobicContact CG2-CH2 3.68Å; I11-W36 HydrophobicContact CG2-CZ2 4.41Å; I11-W36 HydrophobicContact CG2-CZ3 4Å; I11-I37 HydrophobicContact CG2-CD1 3.65Å; I11-L40 HydrophobicContact CG2-CD2 3.89Å; I11-H41 PolarHBondContact O-CE1 3.35Å; I11-H41 PolarHBondContact O-NE2 3.45Å; I11-H41 VanDerWaalsContact O-NE2 3.08Å
12I94.4Very high92.6Very high8 Ų878.8 Ų78.84%0.04139%0.394CS..Hα-helixtrans-67.1-35.9-178.7-65.6160.3000112.3E8 E9 T10 L14 W36 L40 Y329 M330 K333E8-I12 WeakPolarHBondContact O-CB 3.4Å; E8-I12 WeakPolarHBondContact O-CD1 3.48Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 2.71Å; E9-I12 PolarHBondContact O-N 3.18Å; T10-I12 VanDerWaalsContact C-N 3.35Å; T10-I12 PolarHBondContact O-N 2.78Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-W36 HydrophobicContact CD1-CZ2 4.24Å; I12-W36 HydrophobicContact CG1-CZ2 4.03Å; I12-L40 HydrophobicContact CB-CD2 4.5Å; I12-L40 HydrophobicContact CG1-CD1 4.37Å; I12-L40 HydrophobicContact CG1-CD2 3.83Å; I12-Y329 HydrophobicContact CG2-CE1 4.17Å; I12-M330 HydrophobicContact CB-CE 4.25Å; I12-M330 HydrophobicContact CB-SD 3.71Å; I12-M330 HydrophobicContact CD1-SD 3.44Å; I12-M330 WeakPolarHBondContact CD1-SD 3.4Å; I12-M330 HydrophobicContact CG1-SD 4.17Å; I12-M330 HydrophobicContact CG2-CE 3.96Å; I12-M330 HydrophobicContact CG2-SD 3.54Å; I12-M330 VanDerWaalsContact CG2-SD 3.54Å; I12-K333 HydrophobicContact CD1-CB 4.42Å; I12-K333 HydrophobicContact CG1-CB 4.4Å; I12-K333 HydrophobicContact CG2-CB 4.03Å
13L92.8Very high93.6Very high79 Ų7980.2 Ų80.241%0.41441%0.405SS..Hα-helixtrans-80-12.7178-65.9175.9000113.4E9 T10 I11 L319 I325 M330E9-L13 HydrophobicContact CG-CD1 3.84Å; E9-L13 HydrophobicContact CG-CG 4.46Å; E9-L13 WeakPolarHBondContact O-CB 3.49Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.3Å; E9-L13 PolarHBondContact O-N 2.83Å; T10-L13 PolarHBondContact O-N 3.32Å; I11-L13 PolarHBondContact O-N 3.08Å; L13-L319 HydrophobicContact CD2-CD2 4.33Å; L13-I325 HydrophobicContact CD2-CD1 3.81Å; L13-M330 HydrophobicContact CD1-CE 4.33Å; L13-M330 HydrophobicContact CD2-CE 3.78Å; L13-M330 HydrophobicContact CG-CE 3.82Å
14L95.1Very high93.9Very high62 Ų6275.3 Ų75.333%0.32540%0.4SS..SBendtrans-69.4137.9177.1-80.2165.1000110.7T10 I11 I12 Y20 H41T10-L14 HydrophobicContact CG2-CD1 4.22Å; T10-L14 VanDerWaalsContact O-CG 3.25Å; T10-L14 WeakPolarHBondContact O-CG 3.43Å; T10-L14 PolarHBondContact O-N 2.94Å; T10-L14 VanDerWaalsContact O-N 3.1Å; I11-L14 PolarHBondContact O-N 2.66Å; I12-L14 VanDerWaalsContact C-N 3.32Å; L14-Y20 HydrophobicContact CB-CE1 4.03Å; L14-Y20 VanDerWaalsContact CB-OH 3.27Å; L14-Y20 WeakPolarHBondContact CB-OH 3.46Å; L14-Y20 HydrophobicContact CD1-CD1 4.45Å; L14-Y20 HydrophobicContact CD1-CE1 3.66Å; L14-Y20 HydrophobicContact CG-CE1 4.41Å; L14-H41 PolarHBondContact O-CE1 3.31Å; L14-H41 VanDerWaalsContact O-CE1 3.24Å
15P93.9Very high93.8Very high72 Ų7278.2 Ų78.247%0.46842%0.423SS..  trans-63.6146.8179.8-23.634.4000113.1N17 V18 Y20P15-N17 VanDerWaalsContact CB-OD1 3.3Å; P15-N17 WeakPolarHBondContact CB-OD1 3.46Å; P15-N17 PolarHBondContact O-N 2.9Å; P15-N17 VanDerWaalsContact O-N 3.09Å; P15-V18 HydrophobicContact CB-CG2 4.36Å; P15-V18 PolarHBondContact O-N 3.43Å; P15-V18 VanDerWaalsContact O-N 3.1Å; P15-Y20 PolarHBondContact O-OH 3.34Å
16D94Very high93.6Very high87 Ų8780.3 Ų80.347%0.46544%0.436SS..THydrogen-bonded Turntrans-64.3-17.3-178-68.4-16.5000114.4V18 H41D16-V18 VanDerWaalsContact C-N 3.32Å; D16-H41 WeakPolarHBondContact OD1-CA 3.48Å; D16-H41 IonicContact OD1-CE1 3.26Å; D16-H41 IonicContact OD1-CG 3.09Å; D16-H41 IonicContact OD1-ND1 2.76Å; D16-H41 PolarHBondContact OD1-ND1 2.68Å
17N95.4Very high93.6Very high130 Ų13077.7 Ų77.770%0.69542%0.419SS*.THydrogen-bonded Turntrans-80.7-9.9177.770-12.3000113.7P15P15-N17 VanDerWaalsContact CB-OD1 3.3Å; P15-N17 WeakPolarHBondContact CB-OD1 3.46Å; P15-N17 PolarHBondContact O-N 2.9Å; P15-N17 VanDerWaalsContact O-N 3.09Å
18V96.8Very high93.4Very high53 Ų5372.7 Ų72.732%0.32141%0.409SS..  trans-82136.2178.7-179.80000109.6P15 D16 Y20 Q43P15-V18 HydrophobicContact CB-CG2 4.36Å; P15-V18 PolarHBondContact O-N 3.43Å; P15-V18 VanDerWaalsContact O-N 3.1Å; D16-V18 VanDerWaalsContact C-N 3.32Å; V18-Y20 HydrophobicContact CB-CE1 4.41Å; V18-Y20 HydrophobicContact CG1-CD1 4.48Å; V18-Y20 HydrophobicContact CG1-CE1 4.09Å; V18-Y20 WeakPolarHBondContact O-CE2 3.39Å; V18-Q43 PolarHBondContact O-NE2 3Å
19H95.3Very high93.4Very high158 Ų15873 Ų7373%0.73141%0.411SS*.  trans-94.8143.8170.3-64.6-49000111Q43H19-Q43 PolarHBondContact ND1-OE1 2.95Å
20Y96.1Very high93.5Very high47 Ų4772.2 Ų72.218%0.18441%0.411CS..  trans-111144.3-173.3-53.2-73.6000112.3L14 P15 V18 F22 I37 H41L14-Y20 HydrophobicContact CB-CE1 4.03Å; L14-Y20 VanDerWaalsContact CB-OH 3.27Å; L14-Y20 WeakPolarHBondContact CB-OH 3.46Å; L14-Y20 HydrophobicContact CD1-CD1 4.45Å; L14-Y20 HydrophobicContact CD1-CE1 3.66Å; L14-Y20 HydrophobicContact CG-CE1 4.41Å; P15-Y20 PolarHBondContact O-OH 3.34Å; V18-Y20 HydrophobicContact CB-CE1 4.41Å; V18-Y20 HydrophobicContact CG1-CD1 4.48Å; V18-Y20 HydrophobicContact CG1-CE1 4.09Å; V18-Y20 WeakPolarHBondContact O-CE2 3.39Å; Y20-F22 VanDerWaalsContact CB-CZ 3.47Å; Y20-F22 HydrophobicContact CD1-CZ 4.24Å; Y20-F22 HydrophobicContact CD2-CE2 4.41Å; Y20-F22 HydrophobicContact CD2-CZ 4.32Å; Y20-F22 AromaticContact CG-CE2 3.99Å; Y20-F22 HydrophobicContact CG-CE2 3.99Å; Y20-F22 AromaticContact CG-CZ 3.75Å; Y20-F22 HydrophobicContact CG-CZ 3.75Å; Y20-I37 HydrophobicContact CD2-CG2 4.13Å; Y20-H41 HydrophobicContact CE2-CB 4.31Å; Y20-H41 AromaticContact CE2-CD2 3.33Å; Y20-H41 WeakPolarHBondContact CE2-CD2 3.27Å; Y20-H41 AromaticContact CE2-CG 3.76Å; Y20-H41 AromaticContact CE2-NE2 3.73Å; Y20-H41 AromaticContact CZ-CD2 3.73Å; Y20-H41 AromaticContact CZ-CE1 3.98Å; Y20-H41 AromaticContact CZ-NE2 3.6Å; Y20-H41 PolarHBondContact OH-CE1 2.98Å; Y20-H41 PolarHBondContact OH-ND1 3.19Å; Y20-H41 PolarHBondContact OH-NE2 3.44Å; Y20-H41 VanDerWaalsContact OH-NE2 3.14Å
21V97.1Very high93.5Very high130 Ų13075.7 Ų75.779%0.78842%0.42SS*.  trans-120.4115.4165.5179.40000107.7L23V21-L23 HydrophobicContact CG1-CD2 4.29Å
22F95.8Very high93.5Very high83 Ų8376.4 Ų76.436%0.36442%0.423SS..  trans-105120.1178.6-59.8-74.6000110.1I11 Y20 F33 I37I11-F22 HydrophobicContact CD1-CE1 4.09Å; Y20-F22 VanDerWaalsContact CB-CZ 3.47Å; Y20-F22 HydrophobicContact CD1-CZ 4.24Å; Y20-F22 HydrophobicContact CD2-CE2 4.41Å; Y20-F22 HydrophobicContact CD2-CZ 4.32Å; Y20-F22 AromaticContact CG-CE2 3.99Å; Y20-F22 HydrophobicContact CG-CE2 3.99Å; Y20-F22 AromaticContact CG-CZ 3.75Å; Y20-F22 HydrophobicContact CG-CZ 3.75Å; F22-F33 HydrophobicContact CB-CE1 4.46Å; F22-F33 AromaticContact CD1-CE1 3.89Å; F22-F33 HydrophobicContact CD1-CE1 3.89Å; F22-F33 HydrophobicContact CD1-CZ 4.05Å; F22-F33 AromaticContact CD2-CE1 3.87Å; F22-F33 HydrophobicContact CD2-CE1 3.87Å; F22-F33 HydrophobicContact CE1-CE1 4.03Å; F22-F33 AromaticContact CE1-CZ 3.93Å; F22-F33 HydrophobicContact CE1-CZ 3.93Å; F22-F33 AromaticContact CE2-CE1 4Å; F22-F33 HydrophobicContact CE2-CE1 4Å; F22-F33 AromaticContact CG-CE1 3.81Å; F22-F33 HydrophobicContact CG-CE1 3.81Å; F22-F33 HydrophobicContact CG-CZ 4.43Å; F22-F33 HydrophobicContact CZ-CE1 4.08Å; F22-F33 HydrophobicContact CZ-CZ 4.2Å; F22-I37 HydrophobicContact CE2-CD1 4.13Å; F22-I37 HydrophobicContact CE2-CG1 3.89Å; F22-I37 HydrophobicContact CE2-CG2 4.17Å; F22-I37 HydrophobicContact CZ-CD1 3.71Å; F22-I37 HydrophobicContact CZ-CG1 4Å
23L92.6Very high93.6Very high169 Ų16977.5 Ų77.589%0.88543%0.428SS*.  trans-104.8120.3172.4-57.9-179.2000108.4V21V21-L23 HydrophobicContact CG1-CD2 4.29Å
24S89.7Confident93.8Very high88 Ų8874.1 Ų74.162%0.61541%0.411SS*.  trans-140158.6-177.7-170.50000110.8
25A85.5Confident93.9Very high79 Ų7974.4 Ų74.465%0.65341%0.411SS*.  trans-64.8171.5163.400000110.7I27A25-I27 PolarHBondContact O-N 3.47Å
26T86.3Confident94.1Very high50 Ų5071.1 Ų71.131%0.30739%0.389SS..  trans-61.7111.4173.749.60000109.8Y49 T50 A302T26-Y49 HydrophobicContact CG2-CE2 4.42Å; T26-T50 WeakPolarHBondContact CG2-O 3.3Å; T26-A302 WeakPolarHBondContact O-CB 3.49Å
27I91.4Very high94.3Very high23 Ų2367.1 Ų67.112%0.11837%0.367CS..  trans-119.4135176.456.7173.9000110.1A25 N29 A30 L305A25-I27 PolarHBondContact O-N 3.47Å; I27-N29 PolarHBondContact O-N 2.88Å; I27-A30 HydrophobicContact CD1-CB 4.3Å; I27-A30 HydrophobicContact CG1-CB 3.9Å; I27-A30 PolarHBondContact O-N 3.32Å; I27-L305 HydrophobicContact CD1-CB 3.86Å; I27-L305 HydrophobicContact CD1-CD2 3.96Å
28P91.6Very high94.3Very high73 Ų7363.5 Ų63.547%0.47435%0.352SS..THydrogen-bonded Turntrans-67.8-24.1-174.827.1-36.2000113.1A302 P304P28-A302 WeakPolarHBondContact CD-O 3.49Å; P28-A302 WeakPolarHBondContact CG-O 3.39Å; P28-P304 HydrophobicContact CG-CB 4.03Å
29N94Very high94.2Very high21 Ų2165.2 Ų65.211%0.11236%0.356CS..THydrogen-bonded Turntrans-107.228.8-177.167.9-33.7000113.2I27 K31 Q32 F33 P304 L305I27-N29 PolarHBondContact O-N 2.88Å; N29-K31 PolarHBondContact O-N 3.37Å; N29-Q32 HydrophobicContact CB-CB 4.09Å; N29-Q32 PolarHBondContact ND2-OE1 3.48Å; N29-Q32 WeakPolarHBondContact O-CA 3.33Å; N29-Q32 VanDerWaalsContact O-CB 3.29Å; N29-Q32 WeakPolarHBondContact O-CB 2.87Å; N29-Q32 PolarHBondContact O-N 3.24Å; N29-F33 PolarHBondContact O-N 3.44Å; N29-P304 WeakPolarHBondContact OD1-CA 3.42Å; N29-L305 PolarHBondContact ND2-O 3.26Å; N29-L305 PolarHBondContact OD1-N 2.92Å
30A95.2Very high94.2Very high19 Ų1957.9 Ų57.916%0.15732%0.322CS..Hα-helixtrans-53-40.5177.100000113I27 Q32 F33 A34 V47I27-A30 HydrophobicContact CD1-CB 4.3Å; I27-A30 HydrophobicContact CG1-CB 3.9Å; I27-A30 PolarHBondContact O-N 3.32Å; A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.17Å; A30-F33 PolarHBondContact O-N 2.91Å; A30-A34 PolarHBondContact O-N 2.89Å; A30-V47 HydrophobicContact CB-CG1 3.75Å
31K95.6Very high94.2Very high143 Ų14355.8 Ų55.862%0.62231%0.314SS*.Hα-helixtrans-61-36.7174.9-170.5-179.5178.6178.70112.2N29 A34 E35N29-K31 PolarHBondContact O-N 3.37Å; K31-A34 PolarHBondContact O-N 3.41Å; K31-E35 VanDerWaalsContact CE-OE1 3.25Å; K31-E35 WeakPolarHBondContact CE-OE1 3.38Å; K31-E35 WeakPolarHBondContact CG-OE1 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.11Å
32Q95.8Very high94.2Very high30 Ų3056.1 Ų56.114%0.1431%0.305CS..Hα-helixtrans-65.2-41.5177.5-178.8-17245.500112.4N29 A30 W36 F335 F338N29-Q32 HydrophobicContact CB-CB 4.09Å; N29-Q32 PolarHBondContact ND2-OE1 3.48Å; N29-Q32 WeakPolarHBondContact O-CA 3.33Å; N29-Q32 VanDerWaalsContact O-CB 3.29Å; N29-Q32 WeakPolarHBondContact O-CB 2.87Å; N29-Q32 PolarHBondContact O-N 3.24Å; A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.17Å; Q32-W36 PolarHBondContact O-N 2.8Å; Q32-W36 VanDerWaalsContact O-N 3.15Å; Q32-F335 HydrophobicContact CG-CE2 4.11Å; Q32-F335 HydrophobicContact CG-CZ 4.24Å; Q32-F338 HydrophobicContact CG-CE1 4.19Å
33F96.8Very high94.2Very high32 Ų3253.2 Ų53.214%0.1429%0.292CS..Hα-helixtrans-63.5-46.9174.9-177.8-98.4000111.7I11 F22 N29 A30 E35 W36 I37 L305 F335I11-F33 HydrophobicContact CD1-CZ 4.27Å; F22-F33 HydrophobicContact CB-CE1 4.46Å; F22-F33 AromaticContact CD1-CE1 3.89Å; F22-F33 HydrophobicContact CD1-CE1 3.89Å; F22-F33 HydrophobicContact CD1-CZ 4.05Å; F22-F33 AromaticContact CD2-CE1 3.87Å; F22-F33 HydrophobicContact CD2-CE1 3.87Å; F22-F33 HydrophobicContact CE1-CE1 4.03Å; F22-F33 AromaticContact CE1-CZ 3.93Å; F22-F33 HydrophobicContact CE1-CZ 3.93Å; F22-F33 AromaticContact CE2-CE1 4Å; F22-F33 HydrophobicContact CE2-CE1 4Å; F22-F33 AromaticContact CG-CE1 3.81Å; F22-F33 HydrophobicContact CG-CE1 3.81Å; F22-F33 HydrophobicContact CG-CZ 4.43Å; F22-F33 HydrophobicContact CZ-CE1 4.08Å; F22-F33 HydrophobicContact CZ-CZ 4.2Å; N29-F33 PolarHBondContact O-N 3.44Å; A30-F33 PolarHBondContact O-N 2.91Å; F33-E35 VanDerWaalsContact C-N 3.32Å; F33-E35 PolarHBondContact O-N 2.88Å; F33-W36 AromaticContact CD2-CE3 3.89Å; F33-W36 HydrophobicContact CD2-CE3 3.89Å; F33-W36 HydrophobicContact CD2-CZ3 4.19Å; F33-W36 AromaticContact CE2-CE3 3.67Å; F33-W36 HydrophobicContact CE2-CE3 3.67Å; F33-W36 AromaticContact CE2-CZ3 3.51Å; F33-W36 HydrophobicContact CE2-CZ3 3.51Å; F33-W36 HydrophobicContact CZ-CE3 4.34Å; F33-W36 HydrophobicContact CZ-CZ3 4.09Å; F33-W36 WeakPolarHBondContact O-CB 3.15Å; F33-W36 PolarHBondContact O-N 3.21Å; F33-W36 VanDerWaalsContact O-N 3.08Å; F33-I37 HydrophobicContact CD1-CG1 4.2Å; F33-I37 HydrophobicContact CE1-CD1 4.17Å; F33-I37 HydrophobicContact CE1-CG1 3.79Å; F33-I37 HydrophobicContact CE2-CD1 4.49Å; F33-I37 HydrophobicContact CZ-CD1 3.93Å; F33-I37 HydrophobicContact CZ-CG1 4.06Å; F33-I37 WeakPolarHBondContact O-CG1 3.36Å; F33-I37 PolarHBondContact O-N 2.86Å; F33-L305 HydrophobicContact CB-CD2 4.39Å; F33-L305 HydrophobicContact CD2-CD2 3.63Å; F33-L305 HydrophobicContact CE2-CD2 4.12Å; F33-L305 HydrophobicContact CG-CD2 4.11Å; F33-F335 HydrophobicContact CB-CZ 4.46Å; F33-F335 HydrophobicContact CD2-CE1 4.46Å; F33-F335 HydrophobicContact CD2-CZ 4.39Å
34A97Very high94.4Very high7 Ų750.2 Ų50.26%0.05828%0.283CS..Hα-helixtrans-61.7-38.1178.600000113.2A30 K31 W36 I37 C38 C45 V47A30-A34 PolarHBondContact O-N 2.89Å; K31-A34 PolarHBondContact O-N 3.41Å; A34-W36 VanDerWaalsContact C-N 3.32Å; A34-W36 PolarHBondContact O-N 3.48Å; A34-I37 PolarHBondContact O-N 3.02Å; A34-C38 WeakPolarHBondContact O-CB 3.41Å; A34-C38 PolarHBondContact O-N 2.94Å; A34-C45 HydrophobicContact CB-CB 4.08Å; A34-V47 HydrophobicContact CB-CG2 3.32Å
35E96.8Very high94.7Very high69 Ų6947.8 Ų47.832%0.32227%0.266SS..Hα-helixtrans-65.6-34.5174.5-73.3176-144.400112.4K31 F33 H39 F338 R342K31-E35 VanDerWaalsContact CE-OE1 3.25Å; K31-E35 WeakPolarHBondContact CE-OE1 3.38Å; K31-E35 WeakPolarHBondContact CG-OE1 3.49Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3.11Å; F33-E35 VanDerWaalsContact C-N 3.32Å; F33-E35 PolarHBondContact O-N 2.88Å; E35-H39 VanDerWaalsContact O-CB 3.26Å; E35-H39 WeakPolarHBondContact O-CB 3.42Å; E35-H39 PolarHBondContact O-N 3.39Å; E35-F338 HydrophobicContact CB-CE1 4.41Å; E35-F338 HydrophobicContact CB-CZ 3.91Å; E35-R342 VanDerWaalsContact CD-NH2 3.26Å; E35-R342 IonicContact OE1-CZ 3.05Å; E35-R342 IonicContact OE1-NH1 2.6Å; E35-R342 PolarHBondContact OE1-NH1 3.45Å; E35-R342 IonicContact OE1-NH2 3.02Å; E35-R342 PolarHBondContact OE1-NH2 3Å; E35-R342 IonicContact OE2-CZ 2.86Å; E35-R342 IonicContact OE2-NH1 2.69Å; E35-R342 PolarHBondContact OE2-NH1 2.95Å; E35-R342 IonicContact OE2-NH2 2.8Å; E35-R342 PolarHBondContact OE2-NH2 3.4Å
36W97.3Very high95.3Very high3 Ų352 Ų521%0.01127%0.271CS..Hα-helixtrans-64.3-48.1172.6171.260.6000111.5E8 I11 I12 Q32 F33 A34 C38 H39 L40 K333 F335 F338E8-W36 HydrophobicContact CG-CH2 4.25Å; I11-W36 HydrophobicContact CB-CH2 4.04Å; I11-W36 HydrophobicContact CD1-CH2 4.16Å; I11-W36 HydrophobicContact CD1-CZ3 4.03Å; I11-W36 HydrophobicContact CG2-CH2 3.68Å; I11-W36 HydrophobicContact CG2-CZ2 4.41Å; I11-W36 HydrophobicContact CG2-CZ3 4Å; I12-W36 HydrophobicContact CD1-CZ2 4.24Å; I12-W36 HydrophobicContact CG1-CZ2 4.03Å; Q32-W36 PolarHBondContact O-N 2.8Å; Q32-W36 VanDerWaalsContact O-N 3.15Å; F33-W36 AromaticContact CD2-CE3 3.89Å; F33-W36 HydrophobicContact CD2-CE3 3.89Å; F33-W36 HydrophobicContact CD2-CZ3 4.19Å; F33-W36 AromaticContact CE2-CE3 3.67Å; F33-W36 HydrophobicContact CE2-CE3 3.67Å; F33-W36 AromaticContact CE2-CZ3 3.51Å; F33-W36 HydrophobicContact CE2-CZ3 3.51Å; F33-W36 HydrophobicContact CZ-CE3 4.34Å; F33-W36 HydrophobicContact CZ-CZ3 4.09Å; F33-W36 WeakPolarHBondContact O-CB 3.15Å; F33-W36 PolarHBondContact O-N 3.21Å; F33-W36 VanDerWaalsContact O-N 3.08Å; A34-W36 VanDerWaalsContact C-N 3.32Å; A34-W36 PolarHBondContact O-N 3.48Å; W36-C38 VanDerWaalsContact C-N 3.31Å; W36-C38 PolarHBondContact O-N 3.29Å; W36-H39 WeakPolarHBondContact O-CB 3.42Å; W36-H39 PolarHBondContact O-N 3.15Å; W36-H39 VanDerWaalsContact O-N 3.13Å; W36-L40 HydrophobicContact CH2-CD2 4.46Å; W36-L40 HydrophobicContact CZ2-CD2 3.89Å; W36-L40 VanDerWaalsContact O-CB 3.28Å; W36-L40 WeakPolarHBondContact O-CB 3.39Å; W36-L40 PolarHBondContact O-N 3.24Å; W36-K333 PolarHBondContact NE1-O 2.9Å; W36-F335 HydrophobicContact CB-CD2 3.65Å; W36-F335 HydrophobicContact CB-CE2 3.9Å; W36-F335 HydrophobicContact CD2-CB 3.78Å; W36-F335 AromaticContact CD2-CD2 3.62Å; W36-F335 HydrophobicContact CD2-CD2 3.62Å; W36-F335 AromaticContact CD2-CG 3.99Å; W36-F335 HydrophobicContact CD2-CG 3.99Å; W36-F335 HydrophobicContact CE3-CB 4.04Å; W36-F335 AromaticContact CE3-CD2 3.91Å; W36-F335 HydrophobicContact CE3-CD2 3.91Å; W36-F335 HydrophobicContact CE3-CG 4.07Å; W36-F335 HydrophobicContact CG-CB 4.33Å; W36-F335 AromaticContact CG-CD2 3.51Å; W36-F335 HydrophobicContact CG-CD2 3.51Å; W36-F335 HydrophobicContact CG-CE2 4.26Å; W36-F335 HydrophobicContact CG-CG 4.32Å; W36-F335 HydrophobicContact CH2-CB 4.11Å; W36-F335 HydrophobicContact CZ2-CB 3.84Å; W36-F335 HydrophobicContact CZ3-CB 4.2Å; W36-F338 HydrophobicContact CB-CD1 3.7Å; W36-F338 HydrophobicContact CB-CD2 4.29Å; W36-F338 HydrophobicContact CB-CE1 3.83Å; W36-F338 HydrophobicContact CB-CE2 4.41Å; W36-F338 HydrophobicContact CB-CG 3.94Å; W36-F338 HydrophobicContact CB-CZ 4.2Å; W36-F338 AromaticContact CD1-CG 3.75Å; W36-F338 HydrophobicContact CG-CB 4.34Å; W36-F338 HydrophobicContact CG-CD1 4.32Å; W36-F338 HydrophobicContact CG-CG 4.17Å
37I97.4Very high95.8Very high2 Ų253 Ų531%0.0128%0.277CS..Hα-helixtrans-58.2-44.6175.9-61.8-58.6000111.1I11 Y20 F22 F33 A34 H39 L40 H41 C45I11-I37 HydrophobicContact CG2-CD1 3.65Å; Y20-I37 HydrophobicContact CD2-CG2 4.13Å; F22-I37 HydrophobicContact CE2-CD1 4.13Å; F22-I37 HydrophobicContact CE2-CG1 3.89Å; F22-I37 HydrophobicContact CE2-CG2 4.17Å; F22-I37 HydrophobicContact CZ-CD1 3.71Å; F22-I37 HydrophobicContact CZ-CG1 4Å; F33-I37 HydrophobicContact CD1-CG1 4.2Å; F33-I37 HydrophobicContact CE1-CD1 4.17Å; F33-I37 HydrophobicContact CE1-CG1 3.79Å; F33-I37 HydrophobicContact CE2-CD1 4.49Å; F33-I37 HydrophobicContact CZ-CD1 3.93Å; F33-I37 HydrophobicContact CZ-CG1 4.06Å; F33-I37 WeakPolarHBondContact O-CG1 3.36Å; F33-I37 PolarHBondContact O-N 2.86Å; A34-I37 PolarHBondContact O-N 3.02Å; I37-H39 VanDerWaalsContact C-N 3.34Å; I37-H39 PolarHBondContact O-N 2.78Å; I37-L40 PolarHBondContact O-N 2.84Å; I37-H41 PolarHBondContact O-N 3.47Å; I37-C45 HydrophobicContact CB-CB 4.24Å; I37-C45 HydrophobicContact CG2-CB 4.09Å
38C96.6Very high96.1Very high55 Ų5558.7 Ų58.737%0.37231%0.313SS..Hα-helixtrans-64-39176.9-1790000112.4A34 W36 K42 Q43A34-C38 WeakPolarHBondContact O-CB 3.41Å; A34-C38 PolarHBondContact O-N 2.94Å; W36-C38 VanDerWaalsContact C-N 3.31Å; W36-C38 PolarHBondContact O-N 3.29Å; C38-K42 VanDerWaalsContact O-CA 3.28Å; C38-K42 WeakPolarHBondContact O-CA 3.26Å; C38-K42 PolarHBondContact O-N 3.31Å; C38-K42 VanDerWaalsContact O-N 3.11Å; C38-Q43 VanDerWaalsContact CA-O 3.28Å; C38-Q43 WeakPolarHBondContact CA-O 3.46Å; C38-Q43 WeakPolarHBondContact CB-O 3.37Å; C38-Q43 PolarHBondContact SG-O 3.35Å; C38-Q43 VanDerWaalsContact SG-O 3.41Å
39H95Very high96.1Very high88 Ų8860.4 Ų60.441%0.40731%0.311SS..Hα-helixtrans-67.1-40.1176.3176.880000112.2E35 W36 I37 K42 F338E35-H39 VanDerWaalsContact O-CB 3.26Å; E35-H39 WeakPolarHBondContact O-CB 3.42Å; E35-H39 PolarHBondContact O-N 3.39Å; W36-H39 WeakPolarHBondContact O-CB 3.42Å; W36-H39 PolarHBondContact O-N 3.15Å; W36-H39 VanDerWaalsContact O-N 3.13Å; I37-H39 VanDerWaalsContact C-N 3.34Å; I37-H39 PolarHBondContact O-N 2.78Å; H39-K42 WeakPolarHBondContact O-CD 3.48Å; H39-K42 VanDerWaalsContact O-CE 3.31Å; H39-K42 WeakPolarHBondContact O-CE 3.48Å; H39-K42 PolarHBondContact O-NZ 3.09Å; H39-F338 HydrophobicContact CB-CD2 4.44Å; H39-F338 HydrophobicContact CB-CE2 3.92Å
40L95.4Very high96Very high4 Ų463.7 Ų63.72%0.02133%0.332CS..Hα-helixtrans-70.5-61.6-177-179.358.4000111.1I11 I12 W36 I37 K333I11-L40 HydrophobicContact CG2-CD2 3.89Å; I12-L40 HydrophobicContact CB-CD2 4.5Å; I12-L40 HydrophobicContact CG1-CD1 4.37Å; I12-L40 HydrophobicContact CG1-CD2 3.83Å; W36-L40 HydrophobicContact CH2-CD2 4.46Å; W36-L40 HydrophobicContact CZ2-CD2 3.89Å; W36-L40 VanDerWaalsContact O-CB 3.28Å; W36-L40 WeakPolarHBondContact O-CB 3.39Å; W36-L40 PolarHBondContact O-N 3.24Å; I37-L40 PolarHBondContact O-N 2.84Å; L40-K333 HydrophobicContact CD1-CB 3.8Å; L40-K333 HydrophobicContact CD1-CD 3.81Å; L40-K333 HydrophobicContact CD1-CG 4.03Å
41H96.1Very high95.6Very high4 Ų468.2 Ų68.22%0.01935%0.353CS..Hα-helixtrans-96.26.8-171.7-61.6-65.3000114.7I11 L14 D16 Y20 I37 Q43I11-H41 PolarHBondContact O-CE1 3.35Å; I11-H41 PolarHBondContact O-NE2 3.45Å; I11-H41 VanDerWaalsContact O-NE2 3.08Å; L14-H41 PolarHBondContact O-CE1 3.31Å; L14-H41 VanDerWaalsContact O-CE1 3.24Å; D16-H41 WeakPolarHBondContact OD1-CA 3.48Å; D16-H41 IonicContact OD1-CE1 3.26Å; D16-H41 IonicContact OD1-CG 3.09Å; D16-H41 IonicContact OD1-ND1 2.76Å; D16-H41 PolarHBondContact OD1-ND1 2.68Å; Y20-H41 HydrophobicContact CE2-CB 4.31Å; Y20-H41 AromaticContact CE2-CD2 3.33Å; Y20-H41 WeakPolarHBondContact CE2-CD2 3.27Å; Y20-H41 AromaticContact CE2-CG 3.76Å; Y20-H41 AromaticContact CE2-NE2 3.73Å; Y20-H41 AromaticContact CZ-CD2 3.73Å; Y20-H41 AromaticContact CZ-CE1 3.98Å; Y20-H41 AromaticContact CZ-NE2 3.6Å; Y20-H41 PolarHBondContact OH-CE1 2.98Å; Y20-H41 PolarHBondContact OH-ND1 3.19Å; Y20-H41 PolarHBondContact OH-NE2 3.44Å; Y20-H41 VanDerWaalsContact OH-NE2 3.14Å; I37-H41 PolarHBondContact O-N 3.47Å; H41-Q43 HydrophobicContact CB-CG 3.88Å; H41-Q43 PolarHBondContact O-N 3.45Å
42K96Very high95.3Very high137 Ų13769.7 Ų69.760%0.59636%0.356SS*.SBendtrans5332176.8-52.4-53.7-175.6-165.60114.5C38 H39C38-K42 VanDerWaalsContact O-CA 3.28Å; C38-K42 WeakPolarHBondContact O-CA 3.26Å; C38-K42 PolarHBondContact O-N 3.31Å; C38-K42 VanDerWaalsContact O-N 3.11Å; H39-K42 WeakPolarHBondContact O-CD 3.48Å; H39-K42 VanDerWaalsContact O-CE 3.31Å; H39-K42 WeakPolarHBondContact O-CE 3.48Å; H39-K42 PolarHBondContact O-NZ 3.09Å
43Q95.6Very high94.8Very high22 Ų2272.9 Ų72.910%0.10337%0.367CS..SBendtrans-128151.1179.759.5177.3-45.900111.8V18 H19 C38 H41 C45V18-Q43 PolarHBondContact O-NE2 3Å; H19-Q43 PolarHBondContact ND1-OE1 2.95Å; C38-Q43 VanDerWaalsContact CA-O 3.28Å; C38-Q43 WeakPolarHBondContact CA-O 3.46Å; C38-Q43 WeakPolarHBondContact CB-O 3.37Å; C38-Q43 PolarHBondContact SG-O 3.35Å; C38-Q43 VanDerWaalsContact SG-O 3.41Å; H41-Q43 HydrophobicContact CB-CG 3.88Å; H41-Q43 PolarHBondContact O-N 3.45Å; Q43-C45 PolarHBondContact O-N 3.45Å
44P96.9Very high94.5Very high105 Ų10574.5 Ų74.568%0.68238%0.38SS*.  trans-59.4135.8175.3-22.333.6000111.9
45C97.4Very high94.3Very high38 Ų3874.6 Ų74.626%0.25738%0.38SS..  trans-124.8116.6172.6-1740000108.9A34 I37 Q43A34-C45 HydrophobicContact CB-CB 4.08Å; I37-C45 HydrophobicContact CB-CB 4.24Å; I37-C45 HydrophobicContact CG2-CB 4.09Å; Q43-C45 PolarHBondContact O-N 3.45Å
46H97Very high94.2Very high166 Ų16673.3 Ų73.377%0.76938%0.378SS*.  trans-91.6137-176.5-62-83000110.9
47V97.3Very high94.1Very high71 Ų7174 Ų7443%0.4338%0.382SS..  trans-105.8117.8173.7-179.50000109A30 A34A30-V47 HydrophobicContact CB-CG1 3.75Å; A34-V47 HydrophobicContact CB-CG2 3.32Å
48V96.4Very high94Very high143 Ų14374.8 Ų74.887%0.86739%0.385SS*.  trans-106.7112.1167.8-177.40000107.1
49Y93.4Very high94Very high109 Ų10973.1 Ų73.143%0.42737%0.372SS..  trans-118.5138.1-176.4-174.8-93.7000110.1T26 D51T26-Y49 HydrophobicContact CG2-CE2 4.42Å; Y49-D51 WeakPolarHBondContact CE1-OD1 3.35Å; Y49-D51 WeakPolarHBondContact CE1-OD2 3.09Å; Y49-D51 PolarHBondContact OH-OD1 3.44Å
50T91.1Very high94Very high91 Ų9171.1 Ų71.156%0.55836%0.361SS*.  trans-149.7132.4175-174.50000110.1T26 Y52T26-T50 WeakPolarHBondContact CG2-O 3.3Å; T50-Y52 VanDerWaalsContact C-N 3.3Å; T50-Y52 VanDerWaalsContact OG1-CB 3.25Å; T50-Y52 WeakPolarHBondContact OG1-CB 3.19Å; T50-Y52 PolarHBondContact OG1-N 2.96Å; T50-Y52 VanDerWaalsContact OG1-N 3.14Å
51D85.9Confident93.9Very high114 Ų11471.1 Ų71.161%0.6136%0.361SS*.  trans-92.84.6169.1-64.1-44.3000111.4Y49 R53Y49-D51 WeakPolarHBondContact CE1-OD1 3.35Å; Y49-D51 WeakPolarHBondContact CE1-OD2 3.09Å; Y49-D51 PolarHBondContact OH-OD1 3.44Å; D51-R53 PolarHBondContact O-N 3.4Å; D51-R53 VanDerWaalsContact O-N 3.15Å
52Y89.1Confident93.6Very high173 Ų17371.4 Ų71.468%0.67836%0.363SS*.  trans-64.7117.4179.8177.3-108000110.7T50 P54T50-Y52 VanDerWaalsContact C-N 3.3Å; T50-Y52 VanDerWaalsContact OG1-CB 3.25Å; T50-Y52 WeakPolarHBondContact OG1-CB 3.19Å; T50-Y52 PolarHBondContact OG1-N 2.96Å; T50-Y52 VanDerWaalsContact OG1-N 3.14Å; Y52-P54 HydrophobicContact CD1-CG 4.42Å; Y52-P54 HydrophobicContact CE1-CB 4.31Å; Y52-P54 HydrophobicContact CE1-CG 3.97Å
53R86.6Confident93.2Very high98 Ų9864.9 Ų64.937%0.3733%0.334SS..  trans-103.8121.8170.8-178.6177-86.8-92.1-10.1109.4D51 T55 G268 A270D51-R53 PolarHBondContact O-N 3.4Å; D51-R53 VanDerWaalsContact O-N 3.15Å; R53-T55 VanDerWaalsContact C-N 3.31Å; R53-T55 WeakPolarHBondContact CD-O 3.43Å; R53-T55 WeakPolarHBondContact CG-O 3.36Å; R53-T55 PolarHBondContact O-N 3.05Å; R53-G268 PolarHBondContact NH1-O 2.82Å; R53-A270 PolarHBondContact NH1-O 3.25Å
54P89.8Confident92.4Very high65 Ų6565.3 Ų65.342%0.42234%0.341SS..SBendtrans-62.2-32.1-179-26.334.5000115.3Y52 R273Y52-P54 HydrophobicContact CD1-CG 4.42Å; Y52-P54 HydrophobicContact CE1-CB 4.31Å; Y52-P54 HydrophobicContact CE1-CG 3.97Å; P54-R273 HydrophobicContact CB-CG 4.23Å
55T93.1Very high91.2Very high9 Ų962.5 Ų62.56%0.05533%0.332CS..SBendtrans-119.4110.2177.9-58.40000108.8R53 D276R53-T55 VanDerWaalsContact C-N 3.31Å; R53-T55 WeakPolarHBondContact CD-O 3.43Å; R53-T55 WeakPolarHBondContact CG-O 3.36Å; R53-T55 PolarHBondContact O-N 3.05Å; T55-D276 HydrophobicContact CG2-CB 4.34Å; T55-D276 WeakPolarHBondContact CG2-O 3.38Å
56P94Very high90.3Very high42 Ų4261 Ų6127%0.27332%0.322SS..  trans-62.3155.2-176.626.5-34.7000111.7E75 D277 R278 G279P56-E75 HydrophobicContact CB-CB 4.16Å; P56-D277 WeakPolarHBondContact CD-O 3.38Å; P56-R278 HydrophobicContact CG-CB 4.44Å; P56-R278 CarbonylContact O-C 3.48Å; P56-R278 WeakPolarHBondContact O-CA 3.25Å; P56-G279 PolarHBondContact O-N 3.25Å
57L95.2Very high89.3Confident17 Ų1760.8 Ų60.89%0.08933%0.327CS..EExtended strand (participates in β ladder)trans-108.6144.1-179.5-63.2-175.2000111.4H59 E75 A270 G279 V281L57-H59 WeakPolarHBondContact CB-NE2 3.34Å; L57-E75 WeakPolarHBondContact O-CA 3.36Å; L57-A270 HydrophobicContact CD2-CB 3.83Å; L57-A270 WeakPolarHBondContact CD2-O 3.33Å; L57-G279 WeakPolarHBondContact CA-O 3.44Å; L57-V281 HydrophobicContact CD1-CG2 4.31Å; L57-V281 HydrophobicContact CD2-CG2 4.48Å
58Q96.1Very high88.6Confident19 Ų1959 Ų599%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-116.1131.1165-68.7-176-23.200109.2Y60 L71 E75 R278 G279 V281Q58-Y60 HydrophobicContact CB-CD2 4.3Å; Q58-Y60 HydrophobicContact CB-CE2 3.54Å; Q58-Y60 PolarHBondContact OE1-OH 3.38Å; Q58-L71 HydrophobicContact CB-CD1 3.93Å; Q58-L71 HydrophobicContact CG-CD1 4.36Å; Q58-E75 HydrophobicContact CG-CG 3.51Å; Q58-E75 PolarHBondContact NE2-OE1 3.42Å; Q58-R278 VanDerWaalsContact CD-CD 3.46Å; Q58-G279 PolarHBondContact N-O 2.89Å; Q58-V281 PolarHBondContact O-N 3.22Å
59H96.3Very high88.4Confident20 Ų2054 Ų549%0.09329%0.291CS..EExtended strand (participates in β ladder)trans-111.1122.9-175.8-50.1-104.4000110L57 V72 V73 Y263 V281L57-H59 WeakPolarHBondContact CB-NE2 3.34Å; H59-V72 HydrophobicContact CB-CG2 4.27Å; H59-V72 WeakPolarHBondContact O-CG2 3.39Å; H59-V72 PolarHBondContact O-N 3.43Å; H59-V73 HydrophobicContact CB-CB 3.84Å; H59-V73 HydrophobicContact CB-CG2 4.32Å; H59-V73 PolarHBondContact N-O 3.46Å; H59-V73 PolarHBondContact O-N 3.04Å; H59-Y263 AromaticContact ND1-CE1 3.91Å; H59-Y263 AromaticContact ND1-CZ 3.69Å; H59-Y263 PolarHBondContact ND1-OH 3.29Å; H59-V281 CarbonylContact C-O 3.52Å; H59-V281 WeakPolarHBondContact CA-O 3.39Å
60Y95.4Very high88.4Confident47 Ų4750.5 Ų50.518%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-117.3143.5-177.3-65.4-93.3000111Q58 L69 H70 L71 I280 V281 I282 F283Q58-Y60 HydrophobicContact CB-CD2 4.3Å; Q58-Y60 HydrophobicContact CB-CE2 3.54Å; Q58-Y60 PolarHBondContact OE1-OH 3.38Å; Y60-L69 HydrophobicContact CD1-CB 3.88Å; Y60-L69 HydrophobicContact CG-CB 4.37Å; Y60-H70 CarbonylContact C-O 3.55Å; Y60-H70 WeakPolarHBondContact CA-O 3.49Å; Y60-L71 HydrophobicContact CD1-CB 3.99Å; Y60-L71 HydrophobicContact CD1-CD1 4.23Å; Y60-L71 HydrophobicContact CD2-CD1 4.38Å; Y60-L71 HydrophobicContact CE1-CB 3.71Å; Y60-L71 HydrophobicContact CE1-CD1 3.81Å; Y60-L71 HydrophobicContact CE1-CG 4.33Å; Y60-L71 HydrophobicContact CE2-CD1 3.97Å; Y60-I280 HydrophobicContact CD2-CG2 3.93Å; Y60-I280 HydrophobicContact CE2-CG2 4.05Å; Y60-V281 PolarHBondContact N-O 3.46Å; Y60-I282 CarbonylContact O-C 3.53Å; Y60-I282 WeakPolarHBondContact O-CA 3.38Å; Y60-F283 PolarHBondContact O-N 2.98Å
61I92.9Very high88.6Confident3 Ų348.2 Ų48.22%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-104.8134.2167.4-69.4-177.4000109.7H70 V72 F84 A87 M88 F283 V285I61-H70 PolarHBondContact N-O 3.04Å; I61-H70 PolarHBondContact O-N 3.25Å; I61-V72 HydrophobicContact CB-CG1 4.19Å; I61-V72 HydrophobicContact CD1-CB 4.47Å; I61-V72 HydrophobicContact CD1-CG1 3.82Å; I61-V72 HydrophobicContact CD1-CG2 4.15Å; I61-V72 HydrophobicContact CG1-CB 4.48Å; I61-V72 HydrophobicContact CG1-CG1 3.89Å; I61-V72 HydrophobicContact CG1-CG2 3.82Å; I61-F84 HydrophobicContact CD1-CD2 3.57Å; I61-F84 HydrophobicContact CD1-CE2 3.65Å; I61-A87 HydrophobicContact CB-CB 4.37Å; I61-A87 HydrophobicContact CG2-CB 3.93Å; I61-M88 HydrophobicContact CD1-CE 4.01Å; I61-M88 HydrophobicContact CG2-CE 4.45Å; I61-F283 WeakPolarHBondContact CA-O 3.33Å; I61-F283 HydrophobicContact CG1-CB 4.33Å; I61-V285 HydrophobicContact CD1-CG2 4.5Å; I61-V285 HydrophobicContact CG2-CB 4.21Å; I61-V285 HydrophobicContact CG2-CG2 3.79Å
62F91.2Very high89Confident11 Ų1142.8 Ų42.85%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-109.3103.1167.4-172.1-88.7000109G66 L69 I123 I282 F283 M284 V285F62-G66 VanDerWaalsContact CZ-O 3.3Å; F62-G66 WeakPolarHBondContact CZ-O 3.32Å; F62-L69 HydrophobicContact CB-CD2 3.97Å; F62-L69 HydrophobicContact CD2-CD2 4.05Å; F62-I123 HydrophobicContact CB-CD1 4.05Å; F62-I123 HydrophobicContact CD1-CD1 3.63Å; F62-I123 HydrophobicContact CD1-CG1 4.23Å; F62-I123 HydrophobicContact CD2-CD1 4.08Å; F62-I123 HydrophobicContact CD2-CG1 3.92Å; F62-I123 HydrophobicContact CE1-CD1 4.08Å; F62-I123 HydrophobicContact CE1-CG1 4.36Å; F62-I123 HydrophobicContact CE2-CD1 4.49Å; F62-I123 HydrophobicContact CE2-CG1 4.06Å; F62-I123 HydrophobicContact CG-CD1 3.62Å; F62-I123 HydrophobicContact CG-CG1 4Å; F62-I123 HydrophobicContact CZ-CD1 4.49Å; F62-I123 HydrophobicContact CZ-CG1 4.27Å; F62-I282 HydrophobicContact CB-CG2 4.21Å; F62-F283 PolarHBondContact N-O 3.09Å; F62-M284 HydrophobicContact CB-CG 4.5Å; F62-M284 WeakPolarHBondContact O-CA 3.47Å; F62-V285 PolarHBondContact O-N 2.99Å
63P86.7Confident89.3Confident0 Ų034.7 Ų34.70%020%0.202CC..EExtended strand (participates in β ladder)trans-69.6132.5174.427.8-30.9000110.1G65 G66 A87 V90 L91 V285P63-G65 PolarHBondContact O-N 2.99Å; P63-G66 PolarHBondContact O-N 3.47Å; P63-A87 WeakPolarHBondContact CB-O 3.49Å; P63-A87 HydrophobicContact CG-CB 4.47Å; P63-V90 HydrophobicContact CB-CB 4.17Å; P63-V90 HydrophobicContact CB-CG1 4.16Å; P63-V90 HydrophobicContact CG-CB 3.97Å; P63-V90 HydrophobicContact CG-CG1 3.93Å; P63-V90 HydrophobicContact CG-CG2 4.43Å; P63-L91 HydrophobicContact CB-CD1 4.34Å; P63-L91 HydrophobicContact CB-CD2 4.05Å; P63-L91 HydrophobicContact CB-CG 3.81Å; P63-V285 CarbonylContact C-O 3.6Å
64A78.2Confident89.6Confident30 Ų3030.7 Ų30.725%0.24819%0.188CC..THydrogen-bonded Turntrans-56.8127.2176.800000110.4G66 L91 L94 V285 D286A64-G66 VanDerWaalsContact C-N 3.27Å; A64-G66 PolarHBondContact O-N 2.91Å; A64-L91 HydrophobicContact CB-CD2 4.18Å; A64-L94 WeakPolarHBondContact O-CD1 3.43Å; A64-V285 WeakPolarHBondContact CB-O 3.41Å; A64-V285 PolarHBondContact N-O 3.06Å; A64-D286 HydrophobicContact CB-CB 3.91Å
65G72.6Confident89.6Confident47 Ų4731.7 Ų31.749%0.48519%0.187SC..THydrogen-bonded Turntrans81.3-3.2-17700000115.1P63P63-G65 PolarHBondContact O-N 2.99Å
66G77.4Confident89.4Confident6 Ų637.8 Ų37.86%0.06222%0.219CC..  trans-81.6166.3169.500000113.3F62 P63 A64F62-G66 VanDerWaalsContact CZ-O 3.3Å; F62-G66 WeakPolarHBondContact CZ-O 3.32Å; P63-G66 PolarHBondContact O-N 3.47Å; A64-G66 VanDerWaalsContact C-N 3.27Å; A64-G66 PolarHBondContact O-N 2.91Å
67D76.5Confident89.1Confident162 Ų16237 Ų3787%0.86622%0.219SC*.SBendtrans-101-4.1-176.7-70-36.9000114.1
68G83.9Confident88.9Confident32 Ų3240.1 Ų40.133%0.3324%0.235SC..SBendtrans-148.8157.4-170.400000116.3H70G68-H70 PolarHBondContact O-CE1 3.23Å; G68-H70 PolarHBondContact O-ND1 3.15Å; G68-H70 VanDerWaalsContact O-ND1 3.12Å
69L90.9Very high88.8Confident39 Ų3940.8 Ų40.820%0.20424%0.238CC..  trans-82.3137.6171-69.2174.6000110.7Y60 F62 M126 I282Y60-L69 HydrophobicContact CD1-CB 3.88Å; Y60-L69 HydrophobicContact CG-CB 4.37Å; F62-L69 HydrophobicContact CB-CD2 3.97Å; F62-L69 HydrophobicContact CD2-CD2 4.05Å; L69-M126 HydrophobicContact CD1-CE 3.49Å; L69-M126 VanDerWaalsContact CD1-CE 3.49Å; L69-M126 HydrophobicContact CD1-SD 3.87Å; L69-M126 HydrophobicContact CD2-CE 4.47Å; L69-M126 HydrophobicContact CG-CE 4.04Å; L69-M126 HydrophobicContact CG-SD 4.22Å; L69-I282 HydrophobicContact CD1-CD1 4.05Å; L69-I282 HydrophobicContact CD1-CG1 4.38Å; L69-I282 HydrophobicContact CD2-CB 4.43Å; L69-I282 HydrophobicContact CD2-CD1 4.21Å; L69-I282 HydrophobicContact CD2-CG1 4.07Å; L69-I282 HydrophobicContact CD2-CG2 3.53Å
70H93.5Very high88.6Confident35 Ų3545.5 Ų45.516%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-114.5118.1178.4-59.868.9000109.2Y60 I61 G68 V72 A87Y60-H70 CarbonylContact C-O 3.55Å; Y60-H70 WeakPolarHBondContact CA-O 3.49Å; I61-H70 PolarHBondContact N-O 3.04Å; I61-H70 PolarHBondContact O-N 3.25Å; G68-H70 PolarHBondContact O-CE1 3.23Å; G68-H70 PolarHBondContact O-ND1 3.15Å; G68-H70 VanDerWaalsContact O-ND1 3.12Å; H70-V72 PolarHBondContact O-N 3.21Å; H70-A87 HydrophobicContact CB-CB 3.95Å
71L95.4Very high88.4Confident44 Ų4448.1 Ų48.123%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-71.7110.7177.9179.968.9000109.7Q58 Y60 V73 D74 N83Q58-L71 HydrophobicContact CB-CD1 3.93Å; Q58-L71 HydrophobicContact CG-CD1 4.36Å; Y60-L71 HydrophobicContact CD1-CB 3.99Å; Y60-L71 HydrophobicContact CD1-CD1 4.23Å; Y60-L71 HydrophobicContact CD2-CD1 4.38Å; Y60-L71 HydrophobicContact CE1-CB 3.71Å; Y60-L71 HydrophobicContact CE1-CD1 3.81Å; Y60-L71 HydrophobicContact CE1-CG 4.33Å; Y60-L71 HydrophobicContact CE2-CD1 3.97Å; L71-V73 VanDerWaalsContact CD1-O 3.29Å; L71-V73 WeakPolarHBondContact CD1-O 3.47Å; L71-D74 HydrophobicContact CD2-CB 4.33Å; L71-N83 WeakPolarHBondContact O-CB 3.3Å; L71-N83 PolarHBondContact O-ND2 2.62Å
72V94.4Very high88.4Confident0 Ų054 Ų540%030%0.3CS..EExtended strand (participates in β ladder)trans-105.4-24.1-176.3-67.70000113.5H59 I61 H70 F79 R80 F84 L298H59-V72 HydrophobicContact CB-CG2 4.27Å; H59-V72 WeakPolarHBondContact O-CG2 3.39Å; H59-V72 PolarHBondContact O-N 3.43Å; I61-V72 HydrophobicContact CB-CG1 4.19Å; I61-V72 HydrophobicContact CD1-CB 4.47Å; I61-V72 HydrophobicContact CD1-CG1 3.82Å; I61-V72 HydrophobicContact CD1-CG2 4.15Å; I61-V72 HydrophobicContact CG1-CB 4.48Å; I61-V72 HydrophobicContact CG1-CG1 3.89Å; I61-V72 HydrophobicContact CG1-CG2 3.82Å; H70-V72 PolarHBondContact O-N 3.21Å; V72-F79 CarbonylContact O-C 3.56Å; V72-F79 WeakPolarHBondContact O-CA 3.38Å; V72-F79 WeakPolarHBondContact O-CD2 3.24Å; V72-R80 PolarHBondContact O-N 3.28Å; V72-F84 HydrophobicContact CG1-CB 4.03Å; V72-F84 HydrophobicContact CG1-CD2 4.2Å; V72-L298 HydrophobicContact CB-CD1 4.27Å; V72-L298 HydrophobicContact CG2-CD1 3.56Å
73V94.8Very high88.4Confident3 Ų356.4 Ų56.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-136.3127168.8-176.70000108.4H59 L71 D78 F79 L298 K299H59-V73 HydrophobicContact CB-CB 3.84Å; H59-V73 HydrophobicContact CB-CG2 4.32Å; H59-V73 PolarHBondContact N-O 3.46Å; H59-V73 PolarHBondContact O-N 3.04Å; L71-V73 VanDerWaalsContact CD1-O 3.29Å; L71-V73 WeakPolarHBondContact CD1-O 3.47Å; V73-D78 VanDerWaalsContact CA-O 3.32Å; V73-D78 WeakPolarHBondContact CA-O 3.45Å; V73-F79 HydrophobicContact CG2-CD2 3.9Å; V73-L298 HydrophobicContact CG2-CB 3.95Å; V73-L298 HydrophobicContact CG2-CD1 4.23Å; V73-K299 HydrophobicContact CG2-CG 4.33Å
74D93.3Very high88.6Confident14 Ų1456.5 Ų56.58%0.07531%0.314CS..  trans-87.2-179.1179.365.628.8000113.2L71 N76 G77 D78 R80L71-D74 HydrophobicContact CD2-CB 4.33Å; D74-N76 PolarHBondContact O-N 2.97Å; D74-N76 WeakPolarHBondContact OD1-CB 3.42Å; D74-N76 PolarHBondContact OD1-N 3.21Å; D74-G77 WeakPolarHBondContact O-CA 3.31Å; D74-G77 PolarHBondContact O-N 3.11Å; D74-G77 PolarHBondContact OD1-N 2.88Å; D74-D78 PolarHBondContact N-O 2.73Å; D74-D78 PolarHBondContact OD1-N 3.05Å; D74-R80 IonicContact OD2-CZ 2.88Å; D74-R80 IonicContact OD2-NE 2.71Å; D74-R80 PolarHBondContact OD2-NE 2.86Å; D74-R80 VanDerWaalsContact OD2-NE 3.13Å; D74-R80 IonicContact OD2-NH2 3.84Å; D74-R80 PolarHBondContact OD2-NH2 3.35Å
75E90.6Very high89.1Confident85 Ų8557.7 Ų57.740%0.39732%0.317SS..THydrogen-bonded Turntrans-63-23.4-176.3-57.2176.8-157.200113.6P56 L57 Q58 G77 R278P56-E75 HydrophobicContact CB-CB 4.16Å; L57-E75 WeakPolarHBondContact O-CA 3.36Å; Q58-E75 HydrophobicContact CG-CG 3.51Å; Q58-E75 PolarHBondContact NE2-OE1 3.42Å; E75-G77 VanDerWaalsContact C-N 3.27Å; E75-R278 WeakPolarHBondContact OE1-CD 3.43Å; E75-R278 IonicContact OE1-NH1 2.71Å
76N88.8Confident89.9Confident138 Ų13858.5 Ų58.574%0.73831%0.312SS*.THydrogen-bonded Turntrans-86.4-4.2176.5-60-37000111.9D74D74-N76 PolarHBondContact O-N 2.97Å; D74-N76 WeakPolarHBondContact OD1-CB 3.42Å; D74-N76 PolarHBondContact OD1-N 3.21Å
77G87.1Confident90.4Very high25 Ų2558.2 Ų58.226%0.25831%0.309SS..  trans8216.2-175.400000113.5D74 E75 K299D74-G77 WeakPolarHBondContact O-CA 3.31Å; D74-G77 PolarHBondContact O-N 3.11Å; D74-G77 PolarHBondContact OD1-N 2.88Å; E75-G77 VanDerWaalsContact C-N 3.27Å; G77-K299 VanDerWaalsContact O-CD 3.23Å; G77-K299 WeakPolarHBondContact O-CD 3.38Å; G77-K299 WeakPolarHBondContact O-CE 3.49Å; G77-K299 PolarHBondContact O-NZ 3.48Å
78D91.8Very high90.8Very high82 Ų8251.3 Ų51.344%0.43927%0.272SS..  trans-83130.1179.6-69.8-37.9000111.7V73 D74V73-D78 VanDerWaalsContact CA-O 3.32Å; V73-D78 WeakPolarHBondContact CA-O 3.45Å; D74-D78 PolarHBondContact N-O 2.73Å; D74-D78 PolarHBondContact OD1-N 3.05Å
79F92.9Very high90.8Very high34 Ų3454.1 Ų54.115%0.14928%0.276CS..BIsolated β-bridgetrans-83.7120-179.5-178.2-99.4000110.8V72 V73 E81 F84 L298 K299V72-F79 CarbonylContact O-C 3.56Å; V72-F79 WeakPolarHBondContact O-CA 3.38Å; V72-F79 WeakPolarHBondContact O-CD2 3.24Å; V73-F79 HydrophobicContact CG2-CD2 3.9Å; F79-E81 HydrophobicContact CD1-CB 4.09Å; F79-E81 HydrophobicContact CE1-CB 3.86Å; F79-E81 HydrophobicContact CE1-CG 4.15Å; F79-E81 PolarHBondContact O-N 3.4Å; F79-F84 HydrophobicContact CE1-CB 4.35Å; F79-F84 HydrophobicContact CE2-CB 4.42Å; F79-F84 HydrophobicContact CE2-CD2 4.03Å; F79-F84 HydrophobicContact CE2-CG 4.36Å; F79-F84 HydrophobicContact CZ-CB 3.75Å; F79-F84 HydrophobicContact CZ-CD1 4.3Å; F79-F84 AromaticContact CZ-CD2 3.73Å; F79-F84 HydrophobicContact CZ-CD2 3.73Å; F79-F84 HydrophobicContact CZ-CE2 4.4Å; F79-F84 AromaticContact CZ-CG 3.66Å; F79-F84 HydrophobicContact CZ-CG 3.66Å; F79-L298 HydrophobicContact CD2-CD1 4.49Å; F79-L298 HydrophobicContact CE2-CD1 4.04Å; F79-K299 HydrophobicContact CB-CD 3.85Å
80R93.3Very high90.4Very high119 Ų11954.2 Ų54.245%0.44928%0.279SS..  trans-93.186.5-179.4-57.9-64.7179.8167.6-2.8109.8V72 D74 D82 N83 F84V72-R80 PolarHBondContact O-N 3.28Å; D74-R80 IonicContact OD2-CZ 2.88Å; D74-R80 IonicContact OD2-NE 2.71Å; D74-R80 PolarHBondContact OD2-NE 2.86Å; D74-R80 VanDerWaalsContact OD2-NE 3.13Å; D74-R80 IonicContact OD2-NH2 3.84Å; D74-R80 PolarHBondContact OD2-NH2 3.35Å; R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 3.17Å; R80-N83 HydrophobicContact CB-CB 4.15Å; R80-N83 PolarHBondContact O-N 3.14Å; R80-F84 PolarHBondContact O-N 3.39Å; R80-F84 VanDerWaalsContact O-N 3.09Å
81E91.3Very high89.5Confident101 Ų10153.6 Ų53.647%0.47228%0.276SS..Hα-helixtrans-61.4-34.9-176.5-170.6165.6-179.500112.9F79 N83 F84 N85 P291F79-E81 HydrophobicContact CD1-CB 4.09Å; F79-E81 HydrophobicContact CE1-CB 3.86Å; F79-E81 HydrophobicContact CE1-CG 4.15Å; F79-E81 PolarHBondContact O-N 3.4Å; E81-N83 PolarHBondContact O-N 3.18Å; E81-F84 WeakPolarHBondContact O-CB 3.25Å; E81-F84 PolarHBondContact O-N 3.04Å; E81-N85 WeakPolarHBondContact O-CB 3.22Å; E81-N85 VanDerWaalsContact O-CG 3.29Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 PolarHBondContact O-ND2 2.89Å; E81-P291 HydrophobicContact CG-CB 4.46Å
82D91.4Very high88.1Confident127 Ų12756.3 Ų56.368%0.67928%0.284SS*.Hα-helixtrans-61-44.3176.8-59-37.6000112.3R80 N85 T86R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 3.17Å; D82-N85 PolarHBondContact O-N 3.43Å; D82-T86 WeakPolarHBondContact O-CB 3.29Å; D82-T86 PolarHBondContact O-N 2.95Å; D82-T86 PolarHBondContact O-OG1 3.48Å
83N92.2Very high86.6Confident62 Ų6259.6 Ų59.633%0.33230%0.301SS..Hα-helixtrans-69.1-37.2177.7-71.4-12.3000111.3L71 R80 E81 T86 A87L71-N83 WeakPolarHBondContact O-CB 3.3Å; L71-N83 PolarHBondContact O-ND2 2.62Å; R80-N83 HydrophobicContact CB-CB 4.15Å; R80-N83 PolarHBondContact O-N 3.14Å; E81-N83 PolarHBondContact O-N 3.18Å; N83-T86 PolarHBondContact O-N 2.91Å; N83-A87 WeakPolarHBondContact O-CB 3.41Å; N83-A87 PolarHBondContact O-N 3.11Å
84F91.1Very high84.8Confident1 Ų163.6 Ų63.60%0.00432%0.322CS..Hα-helixtrans-62.3-48.7174.2-176.9-87.8000111I61 V72 F79 R80 E81 T86 A87 M88 M289 P291I61-F84 HydrophobicContact CD1-CD2 3.57Å; I61-F84 HydrophobicContact CD1-CE2 3.65Å; V72-F84 HydrophobicContact CG1-CB 4.03Å; V72-F84 HydrophobicContact CG1-CD2 4.2Å; F79-F84 HydrophobicContact CE1-CB 4.35Å; F79-F84 HydrophobicContact CE2-CB 4.42Å; F79-F84 HydrophobicContact CE2-CD2 4.03Å; F79-F84 HydrophobicContact CE2-CG 4.36Å; F79-F84 HydrophobicContact CZ-CB 3.75Å; F79-F84 HydrophobicContact CZ-CD1 4.3Å; F79-F84 AromaticContact CZ-CD2 3.73Å; F79-F84 HydrophobicContact CZ-CD2 3.73Å; F79-F84 HydrophobicContact CZ-CE2 4.4Å; F79-F84 AromaticContact CZ-CG 3.66Å; F79-F84 HydrophobicContact CZ-CG 3.66Å; R80-F84 PolarHBondContact O-N 3.39Å; R80-F84 VanDerWaalsContact O-N 3.09Å; E81-F84 WeakPolarHBondContact O-CB 3.25Å; E81-F84 PolarHBondContact O-N 3.04Å; F84-T86 VanDerWaalsContact C-N 3.34Å; F84-T86 PolarHBondContact O-N 3.48Å; F84-A87 PolarHBondContact O-N 2.96Å; F84-M88 HydrophobicContact CD1-CG 4.07Å; F84-M88 HydrophobicContact CD2-CE 4.37Å; F84-M88 HydrophobicContact CE1-CE 4.22Å; F84-M88 HydrophobicContact CE1-CG 3.73Å; F84-M88 HydrophobicContact CE2-CE 3.8Å; F84-M88 HydrophobicContact CZ-CE 3.72Å; F84-M88 HydrophobicContact CZ-CG 4.17Å; F84-M88 HydrophobicContact CZ-SD 4.44Å; F84-M88 WeakPolarHBondContact O-CG 3.33Å; F84-M88 PolarHBondContact O-N 3.17Å; F84-M289 WeakPolarHBondContact CE1-O 3.44Å; F84-M289 HydrophobicContact CE2-SD 4.21Å; F84-M289 HydrophobicContact CZ-CB 4.03Å; F84-M289 HydrophobicContact CZ-CG 4.07Å; F84-M289 HydrophobicContact CZ-SD 4.06Å; F84-P291 HydrophobicContact CD1-CB 4.38Å; F84-P291 HydrophobicContact CD1-CG 4.23Å; F84-P291 HydrophobicContact CE1-CB 4.31Å; F84-P291 HydrophobicContact CE1-CG 4.13Å
85N88.1Confident82.6Confident56 Ų5664.9 Ų64.930%0.29934%0.338SS..Hα-helixtrans-62.5-41178.1-73.1-28.2000111.7E81 D82 M88 Q89E81-N85 WeakPolarHBondContact O-CB 3.22Å; E81-N85 VanDerWaalsContact O-CG 3.29Å; E81-N85 PolarHBondContact O-N 2.94Å; E81-N85 PolarHBondContact O-ND2 2.89Å; D82-N85 PolarHBondContact O-N 3.43Å; N85-M88 PolarHBondContact O-N 3.37Å; N85-Q89 VanDerWaalsContact O-CG 3.3Å; N85-Q89 WeakPolarHBondContact O-CG 3.42Å; N85-Q89 PolarHBondContact O-N 3.06Å
86T89.3Confident80.2Confident63 Ų6367 Ų6739%0.38735%0.348SS..Hα-helixtrans-60.3-46.3174.7-560000111.2D82 N83 F84 M88 Q89 V90D82-T86 WeakPolarHBondContact O-CB 3.29Å; D82-T86 PolarHBondContact O-N 2.95Å; D82-T86 PolarHBondContact O-OG1 3.48Å; N83-T86 PolarHBondContact O-N 2.91Å; F84-T86 VanDerWaalsContact C-N 3.34Å; F84-T86 PolarHBondContact O-N 3.48Å; T86-M88 VanDerWaalsContact C-N 3.31Å; T86-M88 PolarHBondContact O-N 2.9Å; T86-Q89 WeakPolarHBondContact O-CB 3.47Å; T86-Q89 PolarHBondContact O-N 3.24Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; T86-V90 PolarHBondContact O-N 3.14Å
87A87.1Confident77.9Confident0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-60.9-40176.400000112.1I61 P63 H70 N83 F84 V90I61-A87 HydrophobicContact CB-CB 4.37Å; I61-A87 HydrophobicContact CG2-CB 3.93Å; P63-A87 WeakPolarHBondContact CB-O 3.49Å; P63-A87 HydrophobicContact CG-CB 4.47Å; H70-A87 HydrophobicContact CB-CB 3.95Å; N83-A87 WeakPolarHBondContact O-CB 3.41Å; N83-A87 PolarHBondContact O-N 3.11Å; F84-A87 PolarHBondContact O-N 2.96Å; A87-V90 PolarHBondContact O-N 3.1Å
88M86.3Confident75.6Confident18 Ų1867.7 Ų67.79%0.08937%0.372CS..Hα-helixtrans-71.3-27.5176.5-64.6-59.3141.200113.2I61 F84 N85 T86 L91 R92 V285 M289I61-M88 HydrophobicContact CD1-CE 4.01Å; I61-M88 HydrophobicContact CG2-CE 4.45Å; F84-M88 HydrophobicContact CD1-CG 4.07Å; F84-M88 HydrophobicContact CD2-CE 4.37Å; F84-M88 HydrophobicContact CE1-CE 4.22Å; F84-M88 HydrophobicContact CE1-CG 3.73Å; F84-M88 HydrophobicContact CE2-CE 3.8Å; F84-M88 HydrophobicContact CZ-CE 3.72Å; F84-M88 HydrophobicContact CZ-CG 4.17Å; F84-M88 HydrophobicContact CZ-SD 4.44Å; F84-M88 WeakPolarHBondContact O-CG 3.33Å; F84-M88 PolarHBondContact O-N 3.17Å; N85-M88 PolarHBondContact O-N 3.37Å; T86-M88 VanDerWaalsContact C-N 3.31Å; T86-M88 PolarHBondContact O-N 2.9Å; M88-L91 PolarHBondContact O-N 2.98Å; M88-L91 HydrophobicContact SD-CD1 4.03Å; M88-R92 PolarHBondContact O-N 2.98Å; M88-V285 HydrophobicContact CE-CG1 4.09Å; M88-M289 HydrophobicContact CE-CB 4.17Å; M88-M289 HydrophobicContact SD-CB 4.13Å; M88-M289 PolarHBondContact SD-N 3.1Å
89Q82.4Confident72.9Confident91 Ų9167.1 Ų67.143%0.42539%0.386SS..Hα-helixtrans-68.5-39.5173.8-76.6174.46.100111.8N85 T86 L91 R92 D93N85-Q89 VanDerWaalsContact O-CG 3.3Å; N85-Q89 WeakPolarHBondContact O-CG 3.42Å; N85-Q89 PolarHBondContact O-N 3.06Å; T86-Q89 WeakPolarHBondContact O-CB 3.47Å; T86-Q89 PolarHBondContact O-N 3.24Å; T86-Q89 VanDerWaalsContact O-N 3.15Å; Q89-L91 PolarHBondContact O-N 2.88Å; Q89-R92 WeakPolarHBondContact O-CA 3.2Å; Q89-R92 VanDerWaalsContact O-CB 3.27Å; Q89-R92 WeakPolarHBondContact O-CB 3.33Å; Q89-R92 PolarHBondContact O-N 3.2Å; Q89-D93 PolarHBondContact O-N 3.38Å
90V83Confident69.8Low41 Ų4168.8 Ų68.825%0.24841%0.413CS..Hα-helixtrans-55.2-39.1174.2175.80000111.3P63 T86 A87 R92 D93 L94P63-V90 HydrophobicContact CB-CB 4.17Å; P63-V90 HydrophobicContact CB-CG1 4.16Å; P63-V90 HydrophobicContact CG-CB 3.97Å; P63-V90 HydrophobicContact CG-CG1 3.93Å; P63-V90 HydrophobicContact CG-CG2 4.43Å; T86-V90 PolarHBondContact O-N 3.14Å; A87-V90 PolarHBondContact O-N 3.1Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 2.78Å; V90-D93 PolarHBondContact O-N 3.45Å; V90-L94 HydrophobicContact CG1-CD1 4.39Å; V90-L94 WeakPolarHBondContact O-CD1 3.38Å; V90-L94 PolarHBondContact O-N 3.02Å
91L74.2Confident66.8Low22 Ų2269.8 Ų69.812%0.11544%0.438CS..Hα-helixtrans-67.9-29.2174.5-67.9171.3000113.3P63 A64 M88 Q89 V285P63-L91 HydrophobicContact CB-CD1 4.34Å; P63-L91 HydrophobicContact CB-CD2 4.05Å; P63-L91 HydrophobicContact CB-CG 3.81Å; A64-L91 HydrophobicContact CB-CD2 4.18Å; M88-L91 PolarHBondContact O-N 2.98Å; M88-L91 HydrophobicContact SD-CD1 4.03Å; Q89-L91 PolarHBondContact O-N 2.88Å; L91-V285 HydrophobicContact CD1-CB 4.43Å; L91-V285 HydrophobicContact CD1-CG1 3.88Å
92R66.1Low63.7Low101 Ų10168.5 Ų68.538%0.38145%0.452SS..Hα-helixtrans-70.3-47174.5-179.8-174.265.7-166.4-0.9110.9M88 Q89 V90 L94 G95 E96M88-R92 PolarHBondContact O-N 2.98Å; Q89-R92 WeakPolarHBondContact O-CA 3.2Å; Q89-R92 VanDerWaalsContact O-CB 3.27Å; Q89-R92 WeakPolarHBondContact O-CB 3.33Å; Q89-R92 PolarHBondContact O-N 3.2Å; V90-R92 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 2.78Å; R92-L94 VanDerWaalsContact C-N 3.31Å; R92-L94 PolarHBondContact O-N 2.92Å; R92-G95 WeakPolarHBondContact O-CA 3.24Å; R92-G95 PolarHBondContact O-N 3.01Å; R92-E96 PolarHBondContact O-N 3.4Å
93D63.4Low61Low69 Ų6966.9 Ų66.937%0.36947%0.466SS..Hα-helixtrans-70-31.2-170.5-59.1-11.3000111.3Q89 V90 G95 E96 S97Q89-D93 PolarHBondContact O-N 3.38Å; V90-D93 PolarHBondContact O-N 3.45Å; D93-G95 PolarHBondContact O-N 2.84Å; D93-E96 PolarHBondContact O-N 2.67Å; D93-S97 WeakPolarHBondContact O-CB 3.17Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 3.12Å
94L57.5Low57.8Low87 Ų8767 Ų6746%0.45548%0.481SS..Hα-helixtrans-61.8-30.5167.2-77.8158.4000113.3A64 V90 R92A64-L94 WeakPolarHBondContact O-CD1 3.43Å; V90-L94 HydrophobicContact CG1-CD1 4.39Å; V90-L94 WeakPolarHBondContact O-CD1 3.38Å; V90-L94 PolarHBondContact O-N 3.02Å; R92-L94 VanDerWaalsContact C-N 3.31Å; R92-L94 PolarHBondContact O-N 2.92Å
95G46.7Very low54.9Low40 Ų4077.7 Ų77.741%0.41253%0.528SS..Hα-helixtrans-78.8-17.3176.600000114.5R92 D93 K449R92-G95 WeakPolarHBondContact O-CA 3.24Å; R92-G95 PolarHBondContact O-N 3.01Å; D93-G95 PolarHBondContact O-N 2.84Å; G95-K449 PolarHBondContact O-NZ 3.09Å
96E39.6Very low52Low129 Ų12984.6 Ų84.660%0.60355%0.55SS*.Hα-helixtrans-100.1-33.2178.3-70.4-177.8-178.200112.4R92 D93 G98 G99R92-E96 PolarHBondContact O-N 3.4Å; D93-E96 PolarHBondContact O-N 2.67Å; E96-G98 PolarHBondContact O-N 2.94Å; E96-G98 VanDerWaalsContact O-N 3.08Å; E96-G99 PolarHBondContact O-N 3.29Å; E96-G99 VanDerWaalsContact O-N 3.16Å
97S41.6Very low48.9Very low98 Ų9888.6 Ų88.669%0.68557%0.569SS**THydrogen-bonded Turntrans-65.2-11.1-179.8-53.80000115.1D93 G99D93-S97 WeakPolarHBondContact O-CB 3.17Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 3.12Å; S97-G99 VanDerWaalsContact C-N 3.25Å; S97-G99 PolarHBondContact O-N 3.34Å
98G38.7Very low46.2Very low80 Ų8099.1 Ų99.183%0.82561%0.608SS**THydrogen-bonded Turntrans-78.8-2.717400000114.5E96E96-G98 PolarHBondContact O-N 2.94Å; E96-G98 VanDerWaalsContact O-N 3.08Å
99G34.4Very low43.4Very low70 Ų70105.7 Ų105.772%0.72264%0.644SS**SBendtrans-131.472.5-177.900000112.6E96 S97E96-G99 PolarHBondContact O-N 3.29Å; E96-G99 VanDerWaalsContact O-N 3.16Å; S97-G99 VanDerWaalsContact C-N 3.25Å; S97-G99 PolarHBondContact O-N 3.34Å
100G28.6Very low40.8Very low70 Ų70110.2 Ų110.272%0.72266%0.657SS**  trans175.8106.5171.500000116.9
101S29.2Very low38.4Very low139 Ų139118 Ų11897%0.97269%0.688SS**  trans84.6126.4151.4-147.60000119.7
102G27.8Very low36.2Very low74 Ų74121.5 Ų121.576%0.76373%0.729SS**  trans118.293.3160.700000115.5G104G102-G104 PolarHBondContact O-N 3.41Å
103G33Very low34.3Very low94 Ų94119.4 Ų119.497%0.96974%0.738SS**  trans-62.3128.2175.200000113.6
104G25.3Very low32.8Very low64 Ų64122.5 Ų122.566%0.6676%0.76SS**  trans-168.5120.3169.800000110.3G102 W106G102-G104 PolarHBondContact O-N 3.41Å; G104-W106 PolarHBondContact O-N 3.37Å; G104-W106 VanDerWaalsContact O-N 3.13Å
105K31.1Very low31.5Very low225 Ų225125.8 Ų125.898%0.97877%0.771SS**  trans-45.8115.2175.2-92.3172.2167173.30110.5
106W27.4Very low31.4Very low201 Ų201126.1 Ų126.176%0.76177%0.774SS**  trans-116.8117170.4-149.4-47.4000110.7G104G104-W106 PolarHBondContact O-N 3.37Å; G104-W106 VanDerWaalsContact O-N 3.13Å
107D24Very low32.1Very low147 Ų147123.3 Ų123.379%0.78677%0.767SS**  trans-61.5127.4178.8-164.32.5000112.5N109D107-N109 PolarHBondContact O-N 3.34Å
108R31Very low33.4Very low221 Ų221120.3 Ų120.383%0.83475%0.746SS**SBendtrans-89.582.6-173.9-87.2-177.3173.6168.2-0110.4
109N25.7Very low35.3Very low157 Ų157118.2 Ų118.284%0.8472%0.719SS**  trans-147.130.1161.6-137.25.5000115.4D107D107-N109 PolarHBondContact O-N 3.34Å
110R28.2Very low37.8Very low186 Ų186114.9 Ų114.970%0.70269%0.685SS**  trans-112.3106.1172.5-88.6-176.1167.5131.9-1.3111.5
111K32.5Very low40.7Very low205 Ų205113 Ų11389%0.89166%0.657SS**  trans-42.7138.4152.8-82.7176.9169.6177.30109.3G113K111-G113 PolarHBondContact O-N 2.85Å
112G28.2Very low43.5Very low95 Ų95110.9 Ų110.998%0.97963%0.63SS**SBendtrans-52.795.6-176.600000113.5
113G27.2Very low46.6Very low56 Ų56107.4 Ų107.458%0.57759%0.594SS**  trans-127.1113.6165.200000107K111 K115K111-G113 PolarHBondContact O-N 2.85Å; G113-K115 PolarHBondContact O-N 2.9Å; G113-K115 VanDerWaalsContact O-N 3.11Å
114T31.7Very low49.4Very low135 Ų135103 Ų10383%0.82855%0.548SS*.  trans-52.7117.6160.5420000107.3G116T114-G116 VanDerWaalsContact C-N 3.3Å; T114-G116 PolarHBondContact O-N 2.88Å
115K30.4Very low52.6Low155 Ų155104.1 Ų104.167%0.67454%0.535SS*.SBendtrans-65.691.1174.5-81.5-178.3173.3-179.60108.7G113G113-K115 PolarHBondContact O-N 2.9Å; G113-K115 VanDerWaalsContact O-N 3.11Å
116G43.8Very low55.6Low47 Ų4795 Ų9549%0.48550%0.496SS..SBendtrans169.3158.1174.400000111.5T114T114-G116 VanDerWaalsContact C-N 3.3Å; T114-G116 PolarHBondContact O-N 2.88Å
117P54Low58.7Low71 Ų7185.4 Ų85.446%0.46146%0.46SS..  trans-58.4145.2168.724.7-31.3000109.9F121 K122P117-F121 HydrophobicContact CB-CB 4.18Å; P117-F121 HydrophobicContact CB-CD1 3.41Å; P117-F121 VanDerWaalsContact CB-CD1 3.41Å; P117-F121 HydrophobicContact CB-CE1 4.03Å; P117-F121 HydrophobicContact CB-CG 3.97Å; P117-F121 HydrophobicContact CG-CD1 4.17Å; P117-K122 HydrophobicContact CG-CG 4.11Å
118S70.2Confident62.1Low35 Ų3580 Ų8025%0.24543%0.43CS..  trans-56.2153.3178.968.10000111.4V120 F121 K122 Q151S118-V120 PolarHBondContact O-N 2.83Å; S118-F121 WeakPolarHBondContact O-CB 3.39Å; S118-F121 PolarHBondContact O-N 2.89Å; S118-F121 WeakPolarHBondContact OG-CB 3.31Å; S118-F121 PolarHBondContact OG-N 3.27Å; S118-K122 PolarHBondContact O-N 2.92Å; S118-K122 VanDerWaalsContact O-N 3.11Å; S118-Q151 PolarHBondContact OG-OE1 3.05Å
119S78.2Confident65Low35 Ų3576.1 Ų76.125%0.24542%0.421CS..Hα-helixtrans-55.2-38.4176.8-58.30000111.9F121 K122 I123 M284S119-F121 PolarHBondContact O-N 3.28Å; S119-K122 PolarHBondContact O-N 3.42Å; S119-I123 WeakPolarHBondContact O-CD1 3.44Å; S119-I123 VanDerWaalsContact O-CG1 3.25Å; S119-I123 WeakPolarHBondContact O-CG1 3.36Å; S119-I123 PolarHBondContact O-N 3.38Å; S119-M284 VanDerWaalsContact CB-CE 3.48Å
120V86.3Confident68.2Low1 Ų176.2 Ų76.21%0.00641%0.41CS..Hα-helixtrans-60.2-46.5175.4-179.70000111.3S118 K122 I123 V124 Y148 F226 T245 M284S118-V120 PolarHBondContact O-N 2.83Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 PolarHBondContact O-N 2.95Å; V120-I123 PolarHBondContact O-N 3.06Å; V120-V124 HydrophobicContact CG1-CG2 4.2Å; V120-V124 WeakPolarHBondContact O-CG2 3.18Å; V120-V124 PolarHBondContact O-N 3.5Å; V120-Y148 HydrophobicContact CB-CD1 3.91Å; V120-Y148 HydrophobicContact CB-CE1 4.22Å; V120-Y148 HydrophobicContact CG1-CD1 4.14Å; V120-Y148 HydrophobicContact CG1-CG 4.28Å; V120-Y148 HydrophobicContact CG2-CD1 3.61Å; V120-Y148 HydrophobicContact CG2-CE1 3.49Å; V120-Y148 VanDerWaalsContact CG2-CE1 3.49Å; V120-Y148 HydrophobicContact CG2-CE2 4.5Å; V120-Y148 HydrophobicContact CG2-CG 4.2Å; V120-F226 HydrophobicContact CG1-CE1 4.09Å; V120-T245 HydrophobicContact CG2-CG2 4.25Å; V120-M284 HydrophobicContact CG2-CE 3.72Å; V120-M284 HydrophobicContact CG2-SD 3.64Å
121F89.8Confident71.3Confident30 Ų3071.7 Ų71.713%0.13240%0.4CS..Hα-helixtrans-58.4-44.8177.2179.9-85.4000112P117 S118 S119 K125 Q151 V152 K154 L155P117-F121 HydrophobicContact CB-CB 4.18Å; P117-F121 HydrophobicContact CB-CD1 3.41Å; P117-F121 VanDerWaalsContact CB-CD1 3.41Å; P117-F121 HydrophobicContact CB-CE1 4.03Å; P117-F121 HydrophobicContact CB-CG 3.97Å; P117-F121 HydrophobicContact CG-CD1 4.17Å; S118-F121 WeakPolarHBondContact O-CB 3.39Å; S118-F121 PolarHBondContact O-N 2.89Å; S118-F121 WeakPolarHBondContact OG-CB 3.31Å; S118-F121 PolarHBondContact OG-N 3.27Å; S119-F121 PolarHBondContact O-N 3.28Å; F121-K125 HydrophobicContact CE1-CD 4.33Å; F121-K125 VanDerWaalsContact O-CB 3.31Å; F121-K125 WeakPolarHBondContact O-CB 3.29Å; F121-K125 PolarHBondContact O-N 3.23Å; F121-Q151 VanDerWaalsContact CD2-O 3.3Å; F121-Q151 WeakPolarHBondContact CD2-O 3.48Å; F121-V152 HydrophobicContact CD2-CG2 4.37Å; F121-K154 HydrophobicContact CE2-CB 4.19Å; F121-L155 HydrophobicContact CD2-CD1 4.48Å; F121-L155 HydrophobicContact CE2-CD1 3.84Å; F121-L155 HydrophobicContact CE2-CD2 4.3Å; F121-L155 HydrophobicContact CE2-CG 3.76Å; F121-L155 HydrophobicContact CZ-CD1 3.93Å; F121-L155 HydrophobicContact CZ-CD2 3.91Å; F121-L155 HydrophobicContact CZ-CG 3.87Å
122K88.5Confident74.3Confident95 Ų9563.6 Ų63.641%0.41337%0.365SS..Hα-helixtrans-61.4-45.2178.5-66.2-178.2-179.8-175.10111.6P117 S118 S119 V120 M126P117-K122 HydrophobicContact CG-CG 4.11Å; S118-K122 PolarHBondContact O-N 2.92Å; S118-K122 VanDerWaalsContact O-N 3.11Å; S119-K122 PolarHBondContact O-N 3.42Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 PolarHBondContact O-N 2.95Å; K122-M126 WeakPolarHBondContact O-CB 3.31Å; K122-M126 PolarHBondContact O-N 3.4Å
123I91.4Very high77.3Confident1 Ų161.5 Ų61.51%0.00533%0.329CS..Hα-helixtrans-66.2-48-179.3-64.7162.5000110.5F62 S119 V120 K125 M126 I127 L243 I282 M284F62-I123 HydrophobicContact CB-CD1 4.05Å; F62-I123 HydrophobicContact CD1-CD1 3.63Å; F62-I123 HydrophobicContact CD1-CG1 4.23Å; F62-I123 HydrophobicContact CD2-CD1 4.08Å; F62-I123 HydrophobicContact CD2-CG1 3.92Å; F62-I123 HydrophobicContact CE1-CD1 4.08Å; F62-I123 HydrophobicContact CE1-CG1 4.36Å; F62-I123 HydrophobicContact CE2-CD1 4.49Å; F62-I123 HydrophobicContact CE2-CG1 4.06Å; F62-I123 HydrophobicContact CG-CD1 3.62Å; F62-I123 HydrophobicContact CG-CG1 4Å; F62-I123 HydrophobicContact CZ-CD1 4.49Å; F62-I123 HydrophobicContact CZ-CG1 4.27Å; S119-I123 WeakPolarHBondContact O-CD1 3.44Å; S119-I123 VanDerWaalsContact O-CG1 3.25Å; S119-I123 WeakPolarHBondContact O-CG1 3.36Å; S119-I123 PolarHBondContact O-N 3.38Å; V120-I123 PolarHBondContact O-N 3.06Å; I123-K125 VanDerWaalsContact C-N 3.33Å; I123-K125 PolarHBondContact O-N 3.28Å; I123-M126 HydrophobicContact CG2-CE 4.04Å; I123-M126 PolarHBondContact O-N 3.28Å; I123-I127 HydrophobicContact CG2-CD1 3.77Å; I123-I127 HydrophobicContact CG2-CG1 4.26Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.47Å; I123-I127 PolarHBondContact O-N 2.87Å; I123-L243 HydrophobicContact CB-CD2 4.42Å; I123-L243 HydrophobicContact CD1-CD1 4.23Å; I123-L243 HydrophobicContact CG2-CD1 3.97Å; I123-L243 HydrophobicContact CG2-CD2 3.9Å; I123-I282 HydrophobicContact CG2-CD1 4.14Å; I123-I282 HydrophobicContact CG2-CG2 4.35Å; I123-M284 HydrophobicContact CD1-CE 4.13Å; I123-M284 HydrophobicContact CD1-CG 3.52Å; I123-M284 HydrophobicContact CD1-SD 3.51Å; I123-M284 VanDerWaalsContact CD1-SD 3.51Å
124V93.2Very high80.6Confident0 Ų059.2 Ų59.20%030%0.304CS..Hα-helixtrans-61.9-42.9179.6175.60000110.7V120 M126 I127 M128 I137 V152 F157 A224 L243V120-V124 HydrophobicContact CG1-CG2 4.2Å; V120-V124 WeakPolarHBondContact O-CG2 3.18Å; V120-V124 PolarHBondContact O-N 3.5Å; V124-M126 PolarHBondContact O-N 3.11Å; V124-I127 WeakPolarHBondContact O-CB 3.28Å; V124-I127 PolarHBondContact O-N 2.75Å; V124-M128 HydrophobicContact CG1-CE 4.15Å; V124-M128 VanDerWaalsContact O-CG 3.32Å; V124-M128 WeakPolarHBondContact O-CG 3.4Å; V124-M128 PolarHBondContact O-N 3.14Å; V124-I137 HydrophobicContact CG2-CD1 4.47Å; V124-I137 HydrophobicContact CG2-CG1 4.31Å; V124-V152 HydrophobicContact CB-CG2 4.31Å; V124-V152 HydrophobicContact CG1-CG1 3.85Å; V124-V152 HydrophobicContact CG1-CG2 4.46Å; V124-V152 HydrophobicContact CG2-CG2 4.36Å; V124-F157 HydrophobicContact CG1-CE2 4.42Å; V124-F157 HydrophobicContact CG1-CZ 4.01Å; V124-A224 HydrophobicContact CG1-CB 4.45Å; V124-L243 HydrophobicContact CG2-CD2 4.34Å
125K92.6Very high83.8Confident88 Ų8852.8 Ų52.838%0.38327%0.265SS..Hα-helixtrans-57-48.5174.7-176177.2170.3-179.40111.9F121 I123 I127 M128 E129 L155F121-K125 HydrophobicContact CE1-CD 4.33Å; F121-K125 VanDerWaalsContact O-CB 3.31Å; F121-K125 WeakPolarHBondContact O-CB 3.29Å; F121-K125 PolarHBondContact O-N 3.23Å; I123-K125 VanDerWaalsContact C-N 3.33Å; I123-K125 PolarHBondContact O-N 3.28Å; K125-I127 PolarHBondContact O-N 3.01Å; K125-M128 PolarHBondContact O-N 3.06Å; K125-E129 WeakPolarHBondContact CE-OE1 3.25Å; K125-E129 IonicContact NZ-OE1 3.34Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.36Å; K125-L155 HydrophobicContact CB-CD1 4.02Å; K125-L155 HydrophobicContact CG-CD1 4.35Å
126M92.4Very high87Confident34 Ų3445.4 Ų45.417%0.16723%0.233CC..Hα-helixtrans-61.7-40.6176.9169.6-155.265.700112.3L69 K122 I123 V124 M128 E129 R130 I282L69-M126 HydrophobicContact CD1-CE 3.49Å; L69-M126 VanDerWaalsContact CD1-CE 3.49Å; L69-M126 HydrophobicContact CD1-SD 3.87Å; L69-M126 HydrophobicContact CD2-CE 4.47Å; L69-M126 HydrophobicContact CG-CE 4.04Å; L69-M126 HydrophobicContact CG-SD 4.22Å; K122-M126 WeakPolarHBondContact O-CB 3.31Å; K122-M126 PolarHBondContact O-N 3.4Å; I123-M126 HydrophobicContact CG2-CE 4.04Å; I123-M126 PolarHBondContact O-N 3.28Å; V124-M126 PolarHBondContact O-N 3.11Å; M126-M128 VanDerWaalsContact C-N 3.29Å; M126-M128 PolarHBondContact O-N 3.49Å; M126-E129 PolarHBondContact O-N 3.23Å; M126-R130 HydrophobicContact CG-CG 4.47Å; M126-R130 WeakPolarHBondContact O-CB 3.4Å; M126-R130 WeakPolarHBondContact O-CG 3.46Å; M126-R130 PolarHBondContact O-N 3.05Å; M126-I282 HydrophobicContact CE-CD1 4.3Å
127I94.3Very high89.5Confident0 Ų043.2 Ų43.20%021%0.21CC..Hα-helixtrans-58.2-45.2176.6-74.2171.5000110I123 V124 K125 R130 N131 F132 V135 T241 I282I123-I127 HydrophobicContact CG2-CD1 3.77Å; I123-I127 HydrophobicContact CG2-CG1 4.26Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.47Å; I123-I127 PolarHBondContact O-N 2.87Å; V124-I127 WeakPolarHBondContact O-CB 3.28Å; V124-I127 PolarHBondContact O-N 2.75Å; K125-I127 PolarHBondContact O-N 3.01Å; I127-R130 PolarHBondContact O-N 3.09Å; I127-N131 PolarHBondContact O-N 2.59Å; I127-F132 HydrophobicContact CB-CB 4.32Å; I127-F132 HydrophobicContact CG2-CB 3.75Å; I127-F132 PolarHBondContact O-N 3.44Å; I127-V135 HydrophobicContact CD1-CB 4.38Å; I127-V135 HydrophobicContact CD1-CG2 3.86Å; I127-V135 HydrophobicContact CG2-CB 3.99Å; I127-V135 HydrophobicContact CG2-CG1 4Å; I127-T241 HydrophobicContact CD1-CG2 3.95Å; I127-I282 HydrophobicContact CD1-CD1 3.89Å; I127-I282 HydrophobicContact CG1-CD1 4.09Å
128M94.1Very high91.5Very high34 Ų3439.9 Ų39.917%0.16719%0.188CC..Hα-helixtrans-67.4-46179.3-60.9-59.9179.100111.8V124 K125 M126 R130 N131 Q133 V135 F157 K223 A224V124-M128 HydrophobicContact CG1-CE 4.15Å; V124-M128 VanDerWaalsContact O-CG 3.32Å; V124-M128 WeakPolarHBondContact O-CG 3.4Å; V124-M128 PolarHBondContact O-N 3.14Å; K125-M128 PolarHBondContact O-N 3.06Å; M126-M128 VanDerWaalsContact C-N 3.29Å; M126-M128 PolarHBondContact O-N 3.49Å; M128-R130 VanDerWaalsContact C-N 3.25Å; M128-R130 PolarHBondContact O-N 3.27Å; M128-N131 PolarHBondContact O-N 3.18Å; M128-Q133 HydrophobicContact SD-CB 3.75Å; M128-Q133 HydrophobicContact SD-CG 4.44Å; M128-V135 HydrophobicContact CE-CG1 4.09Å; M128-F157 HydrophobicContact CB-CD1 4.38Å; M128-F157 HydrophobicContact CB-CE1 4.21Å; M128-F157 HydrophobicContact CE-CD1 4.31Å; M128-F157 HydrophobicContact CE-CD2 3.87Å; M128-F157 HydrophobicContact CE-CE1 4.28Å; M128-F157 HydrophobicContact CE-CE2 3.81Å; M128-F157 HydrophobicContact CE-CG 4.11Å; M128-F157 HydrophobicContact CE-CZ 4.02Å; M128-F157 HydrophobicContact CG-CD1 3.77Å; M128-F157 HydrophobicContact CG-CE1 3.5Å; M128-F157 HydrophobicContact CG-CG 4.45Å; M128-F157 HydrophobicContact CG-CZ 3.96Å; M128-F157 HydrophobicContact SD-CD1 4.2Å; M128-F157 HydrophobicContact SD-CE1 4.4Å; M128-F157 HydrophobicContact SD-CG 4.36Å; M128-K223 HydrophobicContact CE-CB 3.68Å; M128-K223 HydrophobicContact SD-CB 4.02Å; M128-A224 HydrophobicContact CE-CB 3.73Å
129E92.9Very high92.5Very high139 Ų13938.4 Ų38.465%0.6518%0.178SC*.Hα-helixtrans-61.4-31.9177.9-72.6174.2170.200112.9K125 M126 N131K125-E129 WeakPolarHBondContact CE-OE1 3.25Å; K125-E129 IonicContact NZ-OE1 3.34Å; K125-E129 WeakPolarHBondContact O-CG 3.38Å; K125-E129 PolarHBondContact O-N 3.36Å; M126-E129 PolarHBondContact O-N 3.23Å; E129-N131 VanDerWaalsContact C-N 3.34Å
130R92.4Very high92.9Very high158 Ų15839.3 Ų39.360%0.59618%0.177SC*.THydrogen-bonded Turntrans-91.17.5177-65.7-172.8178.5-161.80.6113.9M126 I127 M128 F132M126-R130 HydrophobicContact CG-CG 4.47Å; M126-R130 WeakPolarHBondContact O-CB 3.4Å; M126-R130 WeakPolarHBondContact O-CG 3.46Å; M126-R130 PolarHBondContact O-N 3.05Å; I127-R130 PolarHBondContact O-N 3.09Å; M128-R130 VanDerWaalsContact C-N 3.25Å; M128-R130 PolarHBondContact O-N 3.27Å; R130-F132 VanDerWaalsContact C-N 3.26Å; R130-F132 HydrophobicContact CB-CD1 4.28Å; R130-F132 HydrophobicContact CB-CD2 3.9Å; R130-F132 HydrophobicContact CB-CE1 4.23Å; R130-F132 HydrophobicContact CB-CE2 3.84Å; R130-F132 HydrophobicContact CB-CG 4.12Å; R130-F132 HydrophobicContact CB-CZ 4.01Å; R130-F132 WeakPolarHBondContact O-CD1 3.31Å; R130-F132 PolarHBondContact O-N 3.39Å
131N93.4Very high92.9Very high92 Ų9241 Ų4149%0.49219%0.189SC..THydrogen-bonded Turntrans56.135.2-177.8-164.222.2000113.9I127 M128 E129 Q133 R240I127-N131 PolarHBondContact O-N 2.59Å; M128-N131 PolarHBondContact O-N 3.18Å; E129-N131 VanDerWaalsContact C-N 3.34Å; N131-Q133 PolarHBondContact O-N 3.18Å; N131-Q133 PolarHBondContact OD1-NE2 3.47Å; N131-R240 PolarHBondContact O-NH1 2.98Å
132F95.1Very high92.8Very high35 Ų3541.8 Ų41.815%0.15419%0.192CC..  trans-86.416.5176.8-67.2-17.9000113.3I127 R130 T241 I280I127-F132 HydrophobicContact CB-CB 4.32Å; I127-F132 HydrophobicContact CG2-CB 3.75Å; I127-F132 PolarHBondContact O-N 3.44Å; R130-F132 VanDerWaalsContact C-N 3.26Å; R130-F132 HydrophobicContact CB-CD1 4.28Å; R130-F132 HydrophobicContact CB-CD2 3.9Å; R130-F132 HydrophobicContact CB-CE1 4.23Å; R130-F132 HydrophobicContact CB-CE2 3.84Å; R130-F132 HydrophobicContact CB-CG 4.12Å; R130-F132 HydrophobicContact CB-CZ 4.01Å; R130-F132 WeakPolarHBondContact O-CD1 3.31Å; R130-F132 PolarHBondContact O-N 3.39Å; F132-T241 WeakPolarHBondContact CB-OG1 3.27Å; F132-T241 WeakPolarHBondContact O-CB 3.43Å; F132-T241 PolarHBondContact O-OG1 2.9Å; F132-I280 HydrophobicContact CB-CD1 4.2Å; F132-I280 HydrophobicContact CD1-CD1 3.44Å; F132-I280 VanDerWaalsContact CD1-CD1 3.44Å; F132-I280 HydrophobicContact CD2-CD1 3.55Å; F132-I280 HydrophobicContact CE1-CD1 3.52Å; F132-I280 HydrophobicContact CE2-CD1 3.63Å; F132-I280 HydrophobicContact CG-CD1 3.46Å; F132-I280 VanDerWaalsContact CG-CD1 3.46Å; F132-I280 HydrophobicContact CZ-CD1 3.61Å
133Q92.2Very high92.8Very high51 Ų5143.5 Ų43.524%0.23820%0.2CC..  trans-80.9154.8177.864.58422.500112.3M128 N131 K223M128-Q133 HydrophobicContact SD-CB 3.75Å; M128-Q133 HydrophobicContact SD-CG 4.44Å; N131-Q133 PolarHBondContact O-N 3.18Å; N131-Q133 PolarHBondContact OD1-NE2 3.47Å; Q133-K223 HydrophobicContact CB-CB 4.38Å
134P96.5Very high92.6Very high8 Ų846.9 Ų46.95%0.05222%0.218CC..SBendcis-73.9154.8-5.431-34.1000111.8F217 K223 A239 R240 T241 R272P134-F217 HydrophobicContact CB-CE2 3.97Å; P134-F217 HydrophobicContact CB-CZ 4.15Å; P134-F217 HydrophobicContact CG-CZ 4.37Å; P134-K223 CarbonylContact C-O 3.55Å; P134-K223 VanDerWaalsContact CA-O 3.29Å; P134-K223 WeakPolarHBondContact CA-O 3.44Å; P134-A239 HydrophobicContact CG-CB 4.38Å; P134-R240 PolarHBondContact O-N 3.44Å; P134-T241 PolarHBondContact O-N 2.94Å; P134-T241 VanDerWaalsContact O-N 3.12Å; P134-R272 VanDerWaalsContact CD-CZ 3.46Å; P134-R272 VanDerWaalsContact CD-NH1 3.29Å
135V97.5Very high92.5Very high0 Ų046.9 Ų46.90%022%0.218CC..EExtended strand (participates in β ladder)trans-119.8134.8177.757.10000111.8I127 M128 I137 K223 A224 L225 T241 L243I127-V135 HydrophobicContact CD1-CB 4.38Å; I127-V135 HydrophobicContact CD1-CG2 3.86Å; I127-V135 HydrophobicContact CG2-CB 3.99Å; I127-V135 HydrophobicContact CG2-CG1 4Å; M128-V135 HydrophobicContact CE-CG1 4.09Å; V135-I137 HydrophobicContact CG1-CD1 3.88Å; V135-I137 HydrophobicContact CG2-CD1 4.09Å; V135-I137 HydrophobicContact CG2-CG1 4.17Å; V135-K223 PolarHBondContact N-O 3.4Å; V135-A224 HydrophobicContact CG1-CB 4.01Å; V135-L225 PolarHBondContact O-N 2.97Å; V135-T241 CarbonylContact C-O 3.39Å; V135-T241 VanDerWaalsContact CA-O 3.28Å; V135-T241 WeakPolarHBondContact CA-O 3.39Å; V135-T241 HydrophobicContact CG2-CG2 3.98Å; V135-L243 HydrophobicContact CG2-CB 4.23Å
136I97.3Very high92.4Very high0 Ų045.5 Ų45.50%021%0.213CC..EExtended strand (participates in β ladder)trans-100.7124167.1-63160.7000108.7F138 F217 L225 A227 F231 A239 T241 V242 L243 R269I136-F138 HydrophobicContact CG2-CD1 4.39Å; I136-F138 HydrophobicContact CG2-CD2 4.05Å; I136-F138 HydrophobicContact CG2-CE1 4.04Å; I136-F138 HydrophobicContact CG2-CE2 3.66Å; I136-F138 HydrophobicContact CG2-CG 4.4Å; I136-F138 HydrophobicContact CG2-CZ 3.64Å; I136-F217 HydrophobicContact CD1-CE1 4.42Å; I136-F217 HydrophobicContact CD1-CZ 4.17Å; I136-F217 HydrophobicContact CG1-CE2 4.43Å; I136-F217 HydrophobicContact CG1-CZ 3.85Å; I136-L225 CarbonylContact C-O 3.58Å; I136-L225 WeakPolarHBondContact CA-O 3.44Å; I136-L225 HydrophobicContact CG1-CD2 4.44Å; I136-A227 HydrophobicContact CG2-CB 4.24Å; I136-F231 HydrophobicContact CD1-CD1 4.44Å; I136-F231 HydrophobicContact CD1-CE1 3.78Å; I136-F231 HydrophobicContact CG1-CE1 4.28Å; I136-F231 HydrophobicContact CG2-CD1 4.4Å; I136-A239 HydrophobicContact CB-CB 4.45Å; I136-A239 HydrophobicContact CD1-CB 3.52Å; I136-A239 HydrophobicContact CG1-CB 3.64Å; I136-T241 PolarHBondContact N-O 3.36Å; I136-V242 CarbonylContact O-C 3.55Å; I136-V242 WeakPolarHBondContact O-CA 3.41Å; I136-L243 PolarHBondContact O-N 2.89Å; I136-R269 HydrophobicContact CD1-CB 3.96Å
137I96.9Very high92.3Very high1 Ų145.8 Ų45.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-105.6106.4177.7-54.789.9000108.5V124 V135 A224 L225 F226 A227 L243 T245V124-I137 HydrophobicContact CG2-CD1 4.47Å; V124-I137 HydrophobicContact CG2-CG1 4.31Å; V135-I137 HydrophobicContact CG1-CD1 3.88Å; V135-I137 HydrophobicContact CG2-CD1 4.09Å; V135-I137 HydrophobicContact CG2-CG1 4.17Å; I137-A224 HydrophobicContact CD1-CB 4.1Å; I137-L225 PolarHBondContact N-O 3.33Å; I137-F226 HydrophobicContact CB-CD1 3.74Å; I137-F226 HydrophobicContact CB-CE1 3.93Å; I137-F226 HydrophobicContact CB-CG 4.41Å; I137-F226 HydrophobicContact CD1-CD1 4.26Å; I137-F226 HydrophobicContact CD1-CD2 4.42Å; I137-F226 HydrophobicContact CD1-CE1 4.02Å; I137-F226 HydrophobicContact CD1-CE2 4.2Å; I137-F226 HydrophobicContact CD1-CG 4.45Å; I137-F226 HydrophobicContact CD1-CZ 4Å; I137-F226 HydrophobicContact CG1-CD1 4.2Å; I137-F226 HydrophobicContact CG1-CE1 3.93Å; I137-F226 HydrophobicContact CG1-CZ 4.33Å; I137-F226 HydrophobicContact CG2-CD1 3.83Å; I137-F226 HydrophobicContact CG2-CE1 3.89Å; I137-A227 PolarHBondContact O-N 3.15Å; I137-L243 CarbonylContact C-O 3.58Å; I137-L243 WeakPolarHBondContact CA-O 3.22Å; I137-L243 HydrophobicContact CB-CB 4.47Å; I137-L243 HydrophobicContact CB-CD2 4.5Å; I137-L243 HydrophobicContact CG1-CB 4.15Å; I137-L243 HydrophobicContact CG1-CD2 3.9Å; I137-L243 HydrophobicContact CG1-CG 4.47Å; I137-L243 HydrophobicContact CG2-CB 4.38Å; I137-L243 HydrophobicContact CG2-CD2 3.95Å; I137-L243 HydrophobicContact CG2-CG 4.15Å; I137-T245 HydrophobicContact CG2-CG2 3.44Å; I137-T245 VanDerWaalsContact CG2-CG2 3.44Å
138F95.7Very high92.2Very high1 Ų148.3 Ų48.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-83.7128.6177.3-74.8-66.7000112.1I136 A227 F231 A232 V242 L243 T245 M266 R269I136-F138 HydrophobicContact CG2-CD1 4.39Å; I136-F138 HydrophobicContact CG2-CD2 4.05Å; I136-F138 HydrophobicContact CG2-CE1 4.04Å; I136-F138 HydrophobicContact CG2-CE2 3.66Å; I136-F138 HydrophobicContact CG2-CG 4.4Å; I136-F138 HydrophobicContact CG2-CZ 3.64Å; F138-A227 VanDerWaalsContact CA-O 3.32Å; F138-A227 WeakPolarHBondContact CA-O 3.41Å; F138-A227 HydrophobicContact CD1-CB 4.34Å; F138-A227 HydrophobicContact CE1-CB 4.26Å; F138-F231 HydrophobicContact CE1-CB 4.31Å; F138-F231 HydrophobicContact CE1-CD1 4.45Å; F138-F231 HydrophobicContact CZ-CD1 4.45Å; F138-A232 HydrophobicContact CE1-CB 4.04Å; F138-A232 HydrophobicContact CZ-CB 3.85Å; F138-V242 HydrophobicContact CD2-CG1 3.62Å; F138-V242 HydrophobicContact CE2-CG1 3.8Å; F138-L243 PolarHBondContact N-O 2.9Å; F138-T245 PolarHBondContact O-N 3.46Å; F138-T245 VanDerWaalsContact O-N 3.12Å; F138-T245 PolarHBondContact O-OG1 3.32Å; F138-T245 VanDerWaalsContact O-OG1 3.06Å; F138-M266 HydrophobicContact CB-SD 4.09Å; F138-M266 HydrophobicContact CD1-CG 4.31Å; F138-M266 HydrophobicContact CD1-SD 4.13Å; F138-M266 HydrophobicContact CD2-CB 3.82Å; F138-M266 HydrophobicContact CD2-CG 4.02Å; F138-M266 HydrophobicContact CD2-SD 4.15Å; F138-M266 HydrophobicContact CE1-CG 4.27Å; F138-M266 HydrophobicContact CE2-CB 3.72Å; F138-M266 HydrophobicContact CE2-CG 3.98Å; F138-M266 HydrophobicContact CG-CB 4.46Å; F138-M266 HydrophobicContact CG-CG 4.19Å; F138-M266 HydrophobicContact CG-SD 3.86Å; F138-M266 HydrophobicContact CZ-CB 4.28Å; F138-M266 HydrophobicContact CZ-CG 4.11Å; F138-R269 HydrophobicContact CZ-CG 4.33Å
139S91.2Very high92.1Very high3 Ų346.7 Ų46.72%0.02122%0.223CC..  trans-131.7147.5168.1-171.50000110.7S141 D144 A227 T228S139-S141 VanDerWaalsContact C-N 3.33Å; S139-D144 VanDerWaalsContact OG-CB 3.27Å; S139-D144 WeakPolarHBondContact OG-CB 3.25Å; S139-A227 PolarHBondContact N-O 3.39Å; S139-T228 WeakPolarHBondContact O-CA 3.29Å
140F86.3Confident92Very high54 Ų5445.1 Ų45.124%0.23722%0.218CC..SBendtrans-86.1-5.7-176.4-55.5-65000113.7S246 R248 K249 I258 M266F140-S246 WeakPolarHBondContact CE2-O 3.18Å; F140-R248 WeakPolarHBondContact CD2-O 3.35Å; F140-R248 WeakPolarHBondContact CE2-O 3.46Å; F140-K249 HydrophobicContact CB-CG 4.36Å; F140-K249 HydrophobicContact CD1-CB 4.26Å; F140-K249 HydrophobicContact CD1-CD 3.85Å; F140-K249 HydrophobicContact CD1-CG 4.03Å; F140-K249 HydrophobicContact CD2-CB 4.1Å; F140-K249 HydrophobicContact CE1-CB 4.46Å; F140-K249 HydrophobicContact CE1-CD 4.13Å; F140-K249 HydrophobicContact CE2-CB 4.29Å; F140-K249 HydrophobicContact CG-CB 4.1Å; F140-K249 HydrophobicContact CG-CD 4.38Å; F140-K249 HydrophobicContact CG-CG 4.04Å; F140-K249 HydrophobicContact CZ-CB 4.5Å; F140-I258 HydrophobicContact CE1-CG2 4.13Å; F140-I258 HydrophobicContact CE2-CG2 4.1Å; F140-I258 HydrophobicContact CZ-CG2 3.48Å; F140-I258 VanDerWaalsContact CZ-CG2 3.48Å; F140-M266 HydrophobicContact CE1-CE 3.99Å; F140-M266 HydrophobicContact CE1-SD 4.21Å; F140-M266 HydrophobicContact CZ-CE 4.31Å
141S86.4Confident91.9Very high36 Ų3641 Ų4125%0.25221%0.206SC..  trans-118.8133.6-179.5164.50000110.8S139 K143 D144 C145S139-S141 VanDerWaalsContact C-N 3.33Å; S141-K143 VanDerWaalsContact C-N 3.28Å; S141-K143 PolarHBondContact O-N 2.97Å; S141-K143 PolarHBondContact OG-N 3.08Å; S141-D144 VanDerWaalsContact CB-CG 3.49Å; S141-D144 WeakPolarHBondContact CB-OD2 3.04Å; S141-D144 PolarHBondContact O-N 3.29Å; S141-D144 PolarHBondContact OG-N 2.86Å; S141-C145 PolarHBondContact O-N 3.4Å; S141-C145 VanDerWaalsContact O-N 3.09Å; S141-C145 PolarHBondContact O-SG 2.86Å
142K89Confident91.8Very high47 Ų4736.6 Ų36.620%0.20418%0.182CC..Hα-helixtrans-55.9-45.9172.9-59.9178-174176.70110.3D144 C145 E146 H202 T228 E661 F734 S737K142-D144 VanDerWaalsContact C-N 3.35Å; K142-D144 PolarHBondContact O-N 2.83Å; K142-C145 WeakPolarHBondContact O-CB 3.1Å; K142-C145 PolarHBondContact O-N 3.11Å; K142-E146 PolarHBondContact O-N 3.35Å; K142-H202 HydrophobicContact CG-CB 4.17Å; K142-T228 HydrophobicContact CG-CG2 4.5Å; K142-E661 IonicContact NZ-OE1 3.77Å; K142-E661 PolarHBondContact NZ-OE1 3.23Å; K142-E661 IonicContact NZ-OE2 2.78Å; K142-E661 PolarHBondContact NZ-OE2 3.05Å; K142-F734 HydrophobicContact CB-CE2 3.97Å; K142-F734 HydrophobicContact CB-CZ 4Å; K142-F734 HydrophobicContact CD-CD2 3.85Å; K142-F734 HydrophobicContact CD-CE2 3.86Å; K142-S737 PolarHBondContact NZ-OG 2.73Å; K142-S737 VanDerWaalsContact NZ-OG 3.12Å
143K88Confident91.5Very high131 Ų13136.4 Ų36.457%0.5719%0.186SC*.Hα-helixtrans-64-38.7-179.9-65.2-176.1178.2-176.30112.2S141 E146 A147 F734S141-K143 VanDerWaalsContact C-N 3.28Å; S141-K143 PolarHBondContact O-N 2.97Å; S141-K143 PolarHBondContact OG-N 3.08Å; K143-E146 PolarHBondContact O-N 3.02Å; K143-A147 WeakPolarHBondContact O-CB 3.13Å; K143-A147 PolarHBondContact O-N 3.28Å; K143-F734 HydrophobicContact CG-CZ 4.01Å
144D88.1Confident91.3Very high72 Ų7242.3 Ų42.339%0.38521%0.21SC..Hα-helixtrans-70.9-35.8-179.7-65.2-2.4000111.2S139 S141 K142 A147 Y148S139-D144 VanDerWaalsContact OG-CB 3.27Å; S139-D144 WeakPolarHBondContact OG-CB 3.25Å; S141-D144 VanDerWaalsContact CB-CG 3.49Å; S141-D144 WeakPolarHBondContact CB-OD2 3.04Å; S141-D144 PolarHBondContact O-N 3.29Å; S141-D144 PolarHBondContact OG-N 2.86Å; K142-D144 VanDerWaalsContact C-N 3.35Å; K142-D144 PolarHBondContact O-N 2.83Å; D144-A147 PolarHBondContact O-N 3.1Å; D144-Y148 HydrophobicContact CB-CD2 4.31Å; D144-Y148 HydrophobicContact CB-CE2 4.02Å; D144-Y148 WeakPolarHBondContact O-CB 3.4Å; D144-Y148 WeakPolarHBondContact O-CD2 3.5Å; D144-Y148 PolarHBondContact O-N 3.37Å
145C90.2Very high91Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-56.5-51.5174.1-67.30000111.2S141 K142 Y148 A149 I200 F226S141-C145 PolarHBondContact O-N 3.4Å; S141-C145 VanDerWaalsContact O-N 3.09Å; S141-C145 PolarHBondContact O-SG 2.86Å; K142-C145 WeakPolarHBondContact O-CB 3.1Å; K142-C145 PolarHBondContact O-N 3.11Å; C145-Y148 PolarHBondContact O-N 3.24Å; C145-A149 WeakPolarHBondContact O-CB 3.32Å; C145-A149 PolarHBondContact O-N 3.13Å; C145-A149 VanDerWaalsContact O-N 3.08Å; C145-I200 HydrophobicContact CB-CG2 4.43Å; C145-F226 HydrophobicContact CB-CB 4.42Å
146E91.2Very high90.9Very high59 Ų5947.5 Ų47.528%0.27624%0.237SC..Hα-helixtrans-63.5-43.7178.1-66.9176.2-177.400111.7K142 K143 Y148 A149 L150 I200 H202 F734K142-E146 PolarHBondContact O-N 3.35Å; K143-E146 PolarHBondContact O-N 3.02Å; E146-Y148 PolarHBondContact O-N 2.7Å; E146-A149 PolarHBondContact O-N 3.27Å; E146-L150 WeakPolarHBondContact O-CG 3.36Å; E146-L150 PolarHBondContact O-N 2.69Å; E146-I200 HydrophobicContact CG-CD1 4.34Å; E146-I200 HydrophobicContact CG-CG2 4.25Å; E146-H202 IonicContact OE1-CE1 2.78Å; E146-H202 PolarHBondContact OE1-CE1 3.42Å; E146-H202 VanDerWaalsContact OE1-CE1 3.26Å; E146-H202 IonicContact OE1-NE2 3.18Å; E146-H202 PolarHBondContact OE1-NE2 2.98Å; E146-F734 WeakPolarHBondContact OE1-CE1 3.42Å
147A90.5Very high90.7Very high41 Ų4149.3 Ų49.334%0.33925%0.245SC..Hα-helixtrans-61.1-41.7179.600000112.5K143 D144 Q151K143-A147 WeakPolarHBondContact O-CB 3.13Å; K143-A147 PolarHBondContact O-N 3.28Å; D144-A147 PolarHBondContact O-N 3.1Å; A147-Q151 WeakPolarHBondContact O-CG 3.49Å; A147-Q151 PolarHBondContact O-N 2.82Å
148Y91.4Very high90.7Very high53 Ų5349.7 Ų49.721%0.20825%0.247CC..Hα-helixtrans-70.6-39177.1-69.6-50.3000112.5V120 D144 C145 E146 L150 Q151 V152 T245V120-Y148 HydrophobicContact CB-CD1 3.91Å; V120-Y148 HydrophobicContact CB-CE1 4.22Å; V120-Y148 HydrophobicContact CG1-CD1 4.14Å; V120-Y148 HydrophobicContact CG1-CG 4.28Å; V120-Y148 HydrophobicContact CG2-CD1 3.61Å; V120-Y148 HydrophobicContact CG2-CE1 3.49Å; V120-Y148 VanDerWaalsContact CG2-CE1 3.49Å; V120-Y148 HydrophobicContact CG2-CE2 4.5Å; V120-Y148 HydrophobicContact CG2-CG 4.2Å; D144-Y148 HydrophobicContact CB-CD2 4.31Å; D144-Y148 HydrophobicContact CB-CE2 4.02Å; D144-Y148 WeakPolarHBondContact O-CB 3.4Å; D144-Y148 WeakPolarHBondContact O-CD2 3.5Å; D144-Y148 PolarHBondContact O-N 3.37Å; C145-Y148 PolarHBondContact O-N 3.24Å; E146-Y148 PolarHBondContact O-N 2.7Å; Y148-L150 VanDerWaalsContact C-N 3.33Å; Y148-L150 PolarHBondContact O-N 3.47Å; Y148-Q151 WeakPolarHBondContact O-CB 3.37Å; Y148-Q151 PolarHBondContact O-N 2.67Å; Y148-V152 PolarHBondContact O-N 2.9Å; Y148-V152 VanDerWaalsContact O-N 3.14Å; Y148-T245 HydrophobicContact CD2-CG2 4.02Å; Y148-T245 HydrophobicContact CE2-CG2 3.85Å
149A92.7Very high90.7Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-59.7-43.9174.600000111.8C145 E146 Q151 V152 S153 I198 I200 F226C145-A149 WeakPolarHBondContact O-CB 3.32Å; C145-A149 PolarHBondContact O-N 3.13Å; C145-A149 VanDerWaalsContact O-N 3.08Å; E146-A149 PolarHBondContact O-N 3.27Å; A149-Q151 VanDerWaalsContact C-N 3.32Å; A149-Q151 PolarHBondContact O-N 3.26Å; A149-V152 PolarHBondContact O-N 2.76Å; A149-S153 PolarHBondContact O-N 2.84Å; A149-I198 HydrophobicContact CB-CG2 4.18Å; A149-I200 HydrophobicContact CB-CD1 3.61Å; A149-I200 HydrophobicContact CB-CG1 3.54Å; A149-F226 HydrophobicContact CB-CB 4.42Å; A149-F226 HydrophobicContact CB-CD2 3.6Å; A149-F226 HydrophobicContact CB-CE2 4.04Å; A149-F226 HydrophobicContact CB-CG 3.99Å
150L90.7Very high91Very high106 Ų10658.7 Ų58.756%0.55530%0.295SS*.Hα-helixtrans-62.6-36.1175.7-72.4172.6000112.7E146 Y148 V152 S153E146-L150 WeakPolarHBondContact O-CG 3.36Å; E146-L150 PolarHBondContact O-N 2.69Å; Y148-L150 VanDerWaalsContact C-N 3.33Å; Y148-L150 PolarHBondContact O-N 3.47Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 2.8Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.81Å; L150-S153 PolarHBondContact O-OG 2.82Å
151Q90Very high91.4Very high70 Ų7061 Ų6133%0.32731%0.31SS..Hα-helixtrans-65.3-37.8175.9-71.1170.320.600112.1S118 F121 A147 Y148 A149S118-Q151 PolarHBondContact OG-OE1 3.05Å; F121-Q151 VanDerWaalsContact CD2-O 3.3Å; F121-Q151 WeakPolarHBondContact CD2-O 3.48Å; A147-Q151 WeakPolarHBondContact O-CG 3.49Å; A147-Q151 PolarHBondContact O-N 2.82Å; Y148-Q151 WeakPolarHBondContact O-CB 3.37Å; Y148-Q151 PolarHBondContact O-N 2.67Å; A149-Q151 VanDerWaalsContact C-N 3.32Å; A149-Q151 PolarHBondContact O-N 3.26Å
152V90.3Very high91.9Very high0 Ų061.2 Ų61.20%031%0.307CS..Hα-helixtrans-80.5-19-179.71770000112.8F121 V124 Y148 A149 L150 K154 L155 F157 I198 F226F121-V152 HydrophobicContact CD2-CG2 4.37Å; V124-V152 HydrophobicContact CB-CG2 4.31Å; V124-V152 HydrophobicContact CG1-CG1 3.85Å; V124-V152 HydrophobicContact CG1-CG2 4.46Å; V124-V152 HydrophobicContact CG2-CG2 4.36Å; Y148-V152 PolarHBondContact O-N 2.9Å; Y148-V152 VanDerWaalsContact O-N 3.14Å; A149-V152 PolarHBondContact O-N 2.76Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 2.8Å; V152-K154 PolarHBondContact O-N 3.05Å; V152-L155 PolarHBondContact O-N 2.93Å; V152-F157 HydrophobicContact CG1-CE2 3.73Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å; V152-I198 HydrophobicContact CB-CD1 4.48Å; V152-I198 HydrophobicContact CG1-CD1 3.96Å; V152-I198 HydrophobicContact CG1-CG1 4.5Å; V152-F226 HydrophobicContact CB-CE2 4.37Å; V152-F226 HydrophobicContact CB-CZ 4.07Å; V152-F226 HydrophobicContact CG2-CZ 3.78Å
153S89.5Confident92.3Very high32 Ų3260.8 Ų60.822%0.22431%0.305CS..THydrogen-bonded Turntrans-55.6-11.7177.774.60000116.1A149 L150 L155 L193 R196A149-S153 PolarHBondContact O-N 2.84Å; L150-S153 WeakPolarHBondContact O-CB 3.5Å; L150-S153 PolarHBondContact O-N 2.81Å; L150-S153 PolarHBondContact O-OG 2.82Å; S153-L155 PolarHBondContact O-N 2.56Å; S153-L193 VanDerWaalsContact CB-CD2 3.49Å; S153-R196 WeakPolarHBondContact O-CD 3.33Å
154K87.4Confident92.7Very high175 Ų17562.2 Ų62.276%0.76131%0.307SS*.THydrogen-bonded Turntrans-71.2-16171.7-60.6178.5-179.2178.60113.2F121 V152F121-K154 HydrophobicContact CE2-CB 4.19Å; V152-K154 PolarHBondContact O-N 3.05Å
155L90.1Very high93.1Very high37 Ų3762.5 Ų62.519%0.19431%0.308CS..SBendtrans-101.4150.2175.6-57.4174000109.2F121 K125 V152 S153 F157F121-L155 HydrophobicContact CD2-CD1 4.48Å; F121-L155 HydrophobicContact CE2-CD1 3.84Å; F121-L155 HydrophobicContact CE2-CD2 4.3Å; F121-L155 HydrophobicContact CE2-CG 3.76Å; F121-L155 HydrophobicContact CZ-CD1 3.93Å; F121-L155 HydrophobicContact CZ-CD2 3.91Å; F121-L155 HydrophobicContact CZ-CG 3.87Å; K125-L155 HydrophobicContact CB-CD1 4.02Å; K125-L155 HydrophobicContact CG-CD1 4.35Å; V152-L155 PolarHBondContact O-N 2.93Å; S153-L155 PolarHBondContact O-N 2.56Å; L155-F157 HydrophobicContact CB-CD1 4.31Å; L155-F157 HydrophobicContact CB-CE1 3.46Å; L155-F157 VanDerWaalsContact CB-CE1 3.46Å; L155-F157 HydrophobicContact CB-CE2 4.44Å; L155-F157 HydrophobicContact CB-CZ 3.56Å; L155-F157 HydrophobicContact CD1-CE1 3.85Å; L155-F157 HydrophobicContact CD1-CZ 3.79Å; L155-F157 HydrophobicContact CG-CE1 4.27Å; L155-F157 HydrophobicContact CG-CZ 4.31Å
156D95Very high93.4Very high79 Ų7962.5 Ų62.542%0.42231%0.308SS..  trans-123118.4176.2-167.9-4000108.2N158 K163 R196D156-N158 PolarHBondContact OD1-N 3.12Å; D156-K163 WeakPolarHBondContact OD1-CE 3.33Å; D156-K163 IonicContact OD1-NZ 3.88Å; D156-K163 WeakPolarHBondContact OD2-CE 3.23Å; D156-K163 IonicContact OD2-NZ 3.62Å; D156-K163 PolarHBondContact OD2-NZ 3.49Å; D156-R196 HydrophobicContact CB-CG 4.49Å; D156-R196 WeakPolarHBondContact OD1-CA 3.42Å
157F94.9Very high93.6Very high38 Ų3862.8 Ų62.817%0.16731%0.309CS..  trans-104.9-8.7-173.4-52-50.3000113.5V124 M128 V152 L155 R196 I198 K223 A224V124-F157 HydrophobicContact CG1-CE2 4.42Å; V124-F157 HydrophobicContact CG1-CZ 4.01Å; M128-F157 HydrophobicContact CB-CD1 4.38Å; M128-F157 HydrophobicContact CB-CE1 4.21Å; M128-F157 HydrophobicContact CE-CD1 4.31Å; M128-F157 HydrophobicContact CE-CD2 3.87Å; M128-F157 HydrophobicContact CE-CE1 4.28Å; M128-F157 HydrophobicContact CE-CE2 3.81Å; M128-F157 HydrophobicContact CE-CG 4.11Å; M128-F157 HydrophobicContact CE-CZ 4.02Å; M128-F157 HydrophobicContact CG-CD1 3.77Å; M128-F157 HydrophobicContact CG-CE1 3.5Å; M128-F157 HydrophobicContact CG-CG 4.45Å; M128-F157 HydrophobicContact CG-CZ 3.96Å; M128-F157 HydrophobicContact SD-CD1 4.2Å; M128-F157 HydrophobicContact SD-CE1 4.4Å; M128-F157 HydrophobicContact SD-CG 4.36Å; V152-F157 HydrophobicContact CG1-CE2 3.73Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å; L155-F157 HydrophobicContact CB-CD1 4.31Å; L155-F157 HydrophobicContact CB-CE1 3.46Å; L155-F157 VanDerWaalsContact CB-CE1 3.46Å; L155-F157 HydrophobicContact CB-CE2 4.44Å; L155-F157 HydrophobicContact CB-CZ 3.56Å; L155-F157 HydrophobicContact CD1-CE1 3.85Å; L155-F157 HydrophobicContact CD1-CZ 3.79Å; L155-F157 HydrophobicContact CG-CE1 4.27Å; L155-F157 HydrophobicContact CG-CZ 4.31Å; F157-R196 WeakPolarHBondContact CB-O 3.3Å; F157-R196 PolarHBondContact N-O 3.36Å; F157-I198 HydrophobicContact CD2-CD1 4.4Å; F157-I198 HydrophobicContact CD2-CG1 3.82Å; F157-I198 HydrophobicContact CE2-CD1 4.01Å; F157-I198 HydrophobicContact CE2-CG1 3.7Å; F157-K223 HydrophobicContact CB-CB 4Å; F157-K223 HydrophobicContact CB-CG 3.73Å; F157-K223 HydrophobicContact CD2-CB 4.46Å; F157-K223 HydrophobicContact CG-CB 4.45Å; F157-A224 HydrophobicContact CE2-CB 4.22Å
158N96.3Very high93.8Very high9 Ų966.3 Ų66.35%0.04832%0.319CS..SBendtrans-107.4145.3-178.5-77.5-1.3000110.8D156 E162 K163 K195 G197 L221 K223D156-N158 PolarHBondContact OD1-N 3.12Å; N158-E162 VanDerWaalsContact CA-OE2 3.27Å; N158-E162 WeakPolarHBondContact CA-OE2 3.3Å; N158-E162 HydrophobicContact CB-CB 3.88Å; N158-K163 HydrophobicContact CB-CG 4.23Å; N158-K163 WeakPolarHBondContact O-CE 3.38Å; N158-K195 WeakPolarHBondContact CB-O 3.45Å; N158-K195 PolarHBondContact ND2-O 2.99Å; N158-G197 WeakPolarHBondContact ND2-CA 3.2Å; N158-G197 PolarHBondContact ND2-N 3.32Å; N158-L221 PolarHBondContact ND2-O 2.79Å; N158-L221 PolarHBondContact OD1-O 2.77Å; N158-K223 WeakPolarHBondContact OD1-CE 3.05Å
159N95.9Very high93.9Very high79 Ų7965.6 Ų65.642%0.42232%0.32SS..  trans-79.1174.3167.866.349.3000111.2D161 E162 K163N159-D161 VanDerWaalsContact C-N 3.28Å; N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 WeakPolarHBondContact OD1-CA 3.43Å; N159-D161 WeakPolarHBondContact OD1-CB 3.33Å; N159-D161 PolarHBondContact OD1-N 2.84Å; N159-E162 PolarHBondContact N-OE2 3.09Å; N159-E162 PolarHBondContact ND2-OE2 2.64Å; N159-E162 PolarHBondContact O-N 2.89Å; N159-E162 WeakPolarHBondContact OD1-CG 3.48Å; N159-E162 PolarHBondContact OD1-N 2.96Å; N159-K163 VanDerWaalsContact O-CG 3.3Å; N159-K163 WeakPolarHBondContact O-CG 3.38Å; N159-K163 PolarHBondContact O-N 2.71Å
160D96.3Very high94Very high114 Ų11465.9 Ų65.961%0.6132%0.321SS*.Hα-helixtrans-69.3-24-175.6-64.1-31.1000113.6K163 R164D160-K163 IonicContact OD1-NZ 2.74Å; D160-K163 PolarHBondContact OD1-NZ 3.27Å; D160-R164 WeakPolarHBondContact O-CG 3.48Å; D160-R164 PolarHBondContact O-N 3.45Å
161D96.1Very high94.2Very high102 Ų10264.1 Ų64.155%0.54531%0.312SS..Hα-helixtrans-73.6-47.4173.8-63.4-31.7000111N159 K163 R164 L165N159-D161 VanDerWaalsContact C-N 3.28Å; N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 WeakPolarHBondContact OD1-CA 3.43Å; N159-D161 WeakPolarHBondContact OD1-CB 3.33Å; N159-D161 PolarHBondContact OD1-N 2.84Å; D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 3.27Å; D161-R164 PolarHBondContact O-N 2.75Å; D161-R164 VanDerWaalsContact O-N 3.16Å; D161-R164 IonicContact OD1-CZ 2.9Å; D161-R164 IonicContact OD1-NE 3.25Å; D161-R164 IonicContact OD1-NH2 2.62Å; D161-R164 PolarHBondContact OD1-NH2 3.48Å; D161-L165 PolarHBondContact O-N 2.91Å
162E96.7Very high94.2Very high41 Ų4165.5 Ų65.519%0.19232%0.322CS..Hα-helixtrans-59.4-40.1174.3-71.7173.3137.300110.7N158 N159 R164 L165 V166 L221 K223N158-E162 VanDerWaalsContact CA-OE2 3.27Å; N158-E162 WeakPolarHBondContact CA-OE2 3.3Å; N158-E162 HydrophobicContact CB-CB 3.88Å; N159-E162 PolarHBondContact N-OE2 3.09Å; N159-E162 PolarHBondContact ND2-OE2 2.64Å; N159-E162 PolarHBondContact O-N 2.89Å; N159-E162 WeakPolarHBondContact OD1-CG 3.48Å; N159-E162 PolarHBondContact OD1-N 2.96Å; E162-R164 PolarHBondContact O-N 3.11Å; E162-L165 PolarHBondContact O-N 3.34Å; E162-V166 WeakPolarHBondContact O-CB 3.37Å; E162-V166 VanDerWaalsContact O-CG2 3.25Å; E162-V166 WeakPolarHBondContact O-CG2 3.39Å; E162-V166 PolarHBondContact O-N 3.24Å; E162-L221 HydrophobicContact CB-CD2 4.15Å; E162-L221 HydrophobicContact CG-CD2 4.12Å; E162-K223 WeakPolarHBondContact OE1-CE 3.44Å; E162-K223 IonicContact OE1-NZ 3.79Å; E162-K223 PolarHBondContact OE1-NZ 2.91Å
163K97.4Very high94.2Very high39 Ų3966 Ų6617%0.1733%0.326CS..Hα-helixtrans-59.5-43.1174.8-78.9170.6-167.6167.50112.8D156 N158 N159 D160 D161 E167 K195D156-K163 WeakPolarHBondContact OD1-CE 3.33Å; D156-K163 IonicContact OD1-NZ 3.88Å; D156-K163 WeakPolarHBondContact OD2-CE 3.23Å; D156-K163 IonicContact OD2-NZ 3.62Å; D156-K163 PolarHBondContact OD2-NZ 3.49Å; N158-K163 HydrophobicContact CB-CG 4.23Å; N158-K163 WeakPolarHBondContact O-CE 3.38Å; N159-K163 VanDerWaalsContact O-CG 3.3Å; N159-K163 WeakPolarHBondContact O-CG 3.38Å; N159-K163 PolarHBondContact O-N 2.71Å; D160-K163 IonicContact OD1-NZ 2.74Å; D160-K163 PolarHBondContact OD1-NZ 3.27Å; D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 3.27Å; K163-E167 WeakPolarHBondContact O-CB 3.4Å; K163-E167 PolarHBondContact O-N 3.39Å; K163-E167 VanDerWaalsContact O-N 3.08Å; K163-K195 HydrophobicContact CG-CB 4.33Å; K163-K195 WeakPolarHBondContact CG-O 3.41Å
164R96.3Very high94.2Very high161 Ų16164.8 Ų64.861%0.60832%0.317SS*.Hα-helixtrans-65.9-43.2177.6-75.9-173.1-71.6-163.22.2111.1D160 D161 E162 E167 E168D160-R164 WeakPolarHBondContact O-CG 3.48Å; D160-R164 PolarHBondContact O-N 3.45Å; D161-R164 PolarHBondContact O-N 2.75Å; D161-R164 VanDerWaalsContact O-N 3.16Å; D161-R164 IonicContact OD1-CZ 2.9Å; D161-R164 IonicContact OD1-NE 3.25Å; D161-R164 IonicContact OD1-NH2 2.62Å; D161-R164 PolarHBondContact OD1-NH2 3.48Å; E162-R164 PolarHBondContact O-N 3.11Å; R164-E167 PolarHBondContact O-N 3.36Å; R164-E168 WeakPolarHBondContact O-CB 3.36Å; R164-E168 PolarHBondContact O-N 2.98Å
165L95.9Very high94.3Very high77 Ų7761.1 Ų61.140%0.40331%0.306SS..Hα-helixtrans-65-41.8178.2-174.160000112.1D161 E162 E167 E168 V169 L221D161-L165 PolarHBondContact O-N 2.91Å; E162-L165 PolarHBondContact O-N 3.34Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.09Å; L165-E168 PolarHBondContact O-N 3.31Å; L165-V169 HydrophobicContact CD1-CG2 4.34Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 3.21Å; L165-L221 HydrophobicContact CB-CD1 4.49Å; L165-L221 HydrophobicContact CD2-CD1 3.97Å; L165-L221 HydrophobicContact CD2-CD2 3.97Å; L165-L221 HydrophobicContact CG-CD1 3.93Å; L165-L221 HydrophobicContact CG-CD2 4.49Å
166V96.8Very high94Very high0 Ų064.3 Ų64.30%033%0.33CS..Hα-helixtrans-57.8-45.7173.2168.60000110.9E162 F170 L194 K195 L216 L221E162-V166 WeakPolarHBondContact O-CB 3.37Å; E162-V166 VanDerWaalsContact O-CG2 3.25Å; E162-V166 WeakPolarHBondContact O-CG2 3.39Å; E162-V166 PolarHBondContact O-N 3.24Å; V166-F170 WeakPolarHBondContact O-CB 3.36Å; V166-F170 PolarHBondContact O-N 3.26Å; V166-L194 HydrophobicContact CG1-CB 3.76Å; V166-K195 HydrophobicContact CG1-CG 4.27Å; V166-L216 HydrophobicContact CB-CD2 4.46Å; V166-L216 HydrophobicContact CG1-CD1 4.18Å; V166-L216 HydrophobicContact CG1-CD2 4.44Å; V166-L216 HydrophobicContact CG2-CD2 4.22Å; V166-L221 HydrophobicContact CG2-CB 3.72Å; V166-L221 HydrophobicContact CG2-CD1 4.04Å; V166-L221 HydrophobicContact CG2-CD2 4.46Å; V166-L221 HydrophobicContact CG2-CG 4.29Å
167E95.9Very high93.7Very high65 Ų6561 Ų6130%0.30431%0.313SS..Hα-helixtrans-66-40.5-179.9-177.5161.7-139.500112.1K163 R164 L165 F170 N171 K195K163-E167 WeakPolarHBondContact O-CB 3.4Å; K163-E167 PolarHBondContact O-N 3.39Å; K163-E167 VanDerWaalsContact O-N 3.08Å; R164-E167 PolarHBondContact O-N 3.36Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.09Å; E167-F170 PolarHBondContact O-N 3.28Å; E167-N171 VanDerWaalsContact O-CB 3.26Å; E167-N171 WeakPolarHBondContact O-CB 3.37Å; E167-N171 PolarHBondContact O-N 3.27Å; E167-N171 PolarHBondContact O-ND2 3.44Å; E167-N171 VanDerWaalsContact O-ND2 3.11Å; E167-K195 IonicContact OE1-NZ 2.66Å; E167-K195 PolarHBondContact OE1-NZ 3.49Å; E167-K195 IonicContact OE2-NZ 3.3Å; E167-K195 PolarHBondContact OE2-NZ 3.24Å
168E94.9Very high93.3Very high116 Ų11661.6 Ų61.654%0.54232%0.321SS..Hα-helixtrans-62.4-51.3175-175.3176.9179.100111.7R164 L165 F170 N171 N172R164-E168 WeakPolarHBondContact O-CB 3.36Å; R164-E168 PolarHBondContact O-N 2.98Å; L165-E168 PolarHBondContact O-N 3.31Å; E168-F170 VanDerWaalsContact C-N 3.32Å; E168-F170 PolarHBondContact O-N 3.24Å; E168-N171 PolarHBondContact O-N 3.2Å; E168-N172 WeakPolarHBondContact O-CB 3.45Å; E168-N172 PolarHBondContact O-N 2.85Å; E168-N172 PolarHBondContact O-ND2 2.88Å
169V93.9Very high92.9Very high37 Ų3766.7 Ų66.722%0.22435%0.348CS..Hα-helixtrans-61.2-42.2177.9173.40000111.1L165 A173 I215 L216L165-V169 HydrophobicContact CD1-CG2 4.34Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 3.21Å; V169-A173 WeakPolarHBondContact O-CB 3.42Å; V169-A173 PolarHBondContact O-N 3.08Å; V169-I215 HydrophobicContact CG1-CG2 4.35Å; V169-L216 HydrophobicContact CB-CD2 3.92Å; V169-L216 HydrophobicContact CG1-CD2 3.75Å; V169-L216 HydrophobicContact CG1-CG 4.34Å
170F94.8Very high92.5Very high7 Ų768.4 Ų68.43%0.03135%0.354CS..Hα-helixtrans-65.1-46.8178.6-177.2-91.4000112.2V166 E167 E168 A173 V174 V187 V190 L191 L194 L209 T212V166-F170 WeakPolarHBondContact O-CB 3.36Å; V166-F170 PolarHBondContact O-N 3.26Å; E167-F170 PolarHBondContact O-N 3.28Å; E168-F170 VanDerWaalsContact C-N 3.32Å; E168-F170 PolarHBondContact O-N 3.24Å; F170-A173 PolarHBondContact O-N 3.1Å; F170-V174 HydrophobicContact CD1-CG2 4.13Å; F170-V174 HydrophobicContact CD2-CG2 4.48Å; F170-V174 HydrophobicContact CE1-CB 4.45Å; F170-V174 HydrophobicContact CE1-CG2 3.78Å; F170-V174 HydrophobicContact CE2-CG2 4.15Å; F170-V174 HydrophobicContact CG-CG2 4.48Å; F170-V174 HydrophobicContact CZ-CG2 3.8Å; F170-V174 WeakPolarHBondContact O-CB 3.4Å; F170-V174 WeakPolarHBondContact O-CG2 3.3Å; F170-V174 PolarHBondContact O-N 3.04Å; F170-V187 HydrophobicContact CE1-CG1 4.27Å; F170-V187 HydrophobicContact CZ-CG1 3.83Å; F170-V190 HydrophobicContact CE2-CG1 3.73Å; F170-V190 HydrophobicContact CZ-CG1 4.01Å; F170-L191 HydrophobicContact CB-CD1 3.85Å; F170-L191 HydrophobicContact CD1-CB 4.26Å; F170-L191 HydrophobicContact CD1-CD1 3.49Å; F170-L191 VanDerWaalsContact CD1-CD1 3.49Å; F170-L191 HydrophobicContact CD1-CD2 3.97Å; F170-L191 HydrophobicContact CD1-CG 4.09Å; F170-L191 HydrophobicContact CD2-CD1 4.12Å; F170-L191 HydrophobicContact CE1-CB 3.86Å; F170-L191 HydrophobicContact CE1-CD1 3.99Å; F170-L191 HydrophobicContact CE1-CD2 3.97Å; F170-L191 HydrophobicContact CE1-CG 4.14Å; F170-L191 HydrophobicContact CE2-CB 4.38Å; F170-L191 HydrophobicContact CG-CD1 3.54Å; F170-L191 HydrophobicContact CZ-CB 3.92Å; F170-L191 HydrophobicContact CZ-CD1 4.49Å; F170-L194 HydrophobicContact CD2-CD1 3.69Å; F170-L194 HydrophobicContact CE2-CD1 3.91Å; F170-L209 HydrophobicContact CE2-CD2 3.84Å; F170-L209 HydrophobicContact CZ-CD2 4.24Å; F170-T212 HydrophobicContact CD2-CG2 4.12Å
171N93.3Very high92.1Very high69 Ų6963.2 Ų63.237%0.36933%0.326SS..Hα-helixtrans-63.7-42.8179.1-71.2-25000110.9E167 E168 A173 V174 D175E167-N171 VanDerWaalsContact O-CB 3.26Å; E167-N171 WeakPolarHBondContact O-CB 3.37Å; E167-N171 PolarHBondContact O-N 3.27Å; E167-N171 PolarHBondContact O-ND2 3.44Å; E167-N171 VanDerWaalsContact O-ND2 3.11Å; E168-N171 PolarHBondContact O-N 3.2Å; N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.27Å; N171-V174 PolarHBondContact O-N 3.15Å; N171-D175 VanDerWaalsContact O-CB 3.3Å; N171-D175 WeakPolarHBondContact O-CB 3.48Å; N171-D175 PolarHBondContact O-N 3.39Å
172N90.9Very high91.8Very high99 Ų9961 Ų6153%0.52931%0.312SS..Hα-helixtrans-60-41.7175.4-71.7-23.9000112.1E168E168-N172 WeakPolarHBondContact O-CB 3.45Å; E168-N172 PolarHBondContact O-N 2.85Å; E168-N172 PolarHBondContact O-ND2 2.88Å
173A89.7Confident91.5Very high9 Ų965.8 Ų65.87%0.07433%0.332CS..Hα-helixtrans-68.3-42.6177.700000112.1V169 F170 N171 D175 I208 T212 L785V169-A173 WeakPolarHBondContact O-CB 3.42Å; V169-A173 PolarHBondContact O-N 3.08Å; F170-A173 PolarHBondContact O-N 3.1Å; N171-A173 VanDerWaalsContact C-N 3.33Å; N171-A173 PolarHBondContact O-N 3.27Å; A173-D175 VanDerWaalsContact C-N 3.29Å; A173-D175 PolarHBondContact O-N 2.98Å; A173-I208 VanDerWaalsContact O-CD1 3.29Å; A173-I208 WeakPolarHBondContact O-CD1 3.39Å; A173-T212 HydrophobicContact CB-CG2 4.09Å; A173-T212 WeakPolarHBondContact CB-OG1 3.38Å; A173-L785 HydrophobicContact CB-CD1 3.84Å; A173-L785 HydrophobicContact CB-CD2 4.38Å
174V89.8Confident91.2Very high8 Ų864 Ų645%0.04832%0.324CS..Hα-helixtrans-77.6-15.8-177.91690000112.1F170 N171 C176 L177 K182 V187F170-V174 HydrophobicContact CD1-CG2 4.13Å; F170-V174 HydrophobicContact CD2-CG2 4.48Å; F170-V174 HydrophobicContact CE1-CB 4.45Å; F170-V174 HydrophobicContact CE1-CG2 3.78Å; F170-V174 HydrophobicContact CE2-CG2 4.15Å; F170-V174 HydrophobicContact CG-CG2 4.48Å; F170-V174 HydrophobicContact CZ-CG2 3.8Å; F170-V174 WeakPolarHBondContact O-CB 3.4Å; F170-V174 WeakPolarHBondContact O-CG2 3.3Å; F170-V174 PolarHBondContact O-N 3.04Å; N171-V174 PolarHBondContact O-N 3.15Å; V174-C176 PolarHBondContact O-N 3.38Å; V174-L177 HydrophobicContact CG1-CD1 4.19Å; V174-L177 VanDerWaalsContact O-CB 3.25Å; V174-L177 WeakPolarHBondContact O-CB 3.18Å; V174-L177 PolarHBondContact O-N 3.12Å; V174-K182 HydrophobicContact CG1-CB 4.25Å; V174-K182 HydrophobicContact CG1-CD 4.09Å; V174-K182 HydrophobicContact CG1-CG 3.63Å; V174-K182 VanDerWaalsContact O-CE 3.22Å; V174-K182 WeakPolarHBondContact O-CE 3.35Å; V174-V187 HydrophobicContact CG1-CG1 4.2Å; V174-V187 HydrophobicContact CG2-CG1 4.27Å
175D89Confident90.8Very high97 Ų9759.8 Ų59.852%0.51932%0.317SS..THydrogen-bonded Turntrans-63.6-21.2179.8-91.8-10.7000114.6N171 A173 L177 K182N171-D175 VanDerWaalsContact O-CB 3.3Å; N171-D175 WeakPolarHBondContact O-CB 3.48Å; N171-D175 PolarHBondContact O-N 3.39Å; A173-D175 VanDerWaalsContact C-N 3.29Å; A173-D175 PolarHBondContact O-N 2.98Å; D175-L177 PolarHBondContact O-N 3.47Å; D175-K182 IonicContact OD1-NZ 2.72Å; D175-K182 PolarHBondContact OD1-NZ 2.73Å
176C85Confident90.5Very high105 Ų10557.1 Ų57.171%0.70930%0.303SS*.THydrogen-bonded Turntrans-72.4-11.9170.8-59.20000113.8V174V174-C176 PolarHBondContact O-N 3.38Å
177L87.4Confident90.2Very high10 Ų1057.2 Ų57.25%0.05230%0.304CS..SBendtrans-87154178.6-58.1-176.1000111.8V174 D175 D181 K182 I208 I779 A782V174-L177 HydrophobicContact CG1-CD1 4.19Å; V174-L177 VanDerWaalsContact O-CB 3.25Å; V174-L177 WeakPolarHBondContact O-CB 3.18Å; V174-L177 PolarHBondContact O-N 3.12Å; D175-L177 PolarHBondContact O-N 3.47Å; L177-D181 HydrophobicContact CB-CB 4.07Å; L177-K182 HydrophobicContact CB-CG 4.1Å; L177-K182 WeakPolarHBondContact O-CE 3.39Å; L177-I208 HydrophobicContact CD1-CD1 4.3Å; L177-I208 HydrophobicContact CD1-CG2 4.17Å; L177-I208 HydrophobicContact CD2-CD1 3.8Å; L177-I208 HydrophobicContact CD2-CG2 4.48Å; L177-I208 HydrophobicContact CG-CD1 3.92Å; L177-I779 HydrophobicContact CD1-CD1 4.07Å; L177-I779 HydrophobicContact CD2-CB 4.29Å; L177-I779 HydrophobicContact CD2-CD1 4.09Å; L177-I779 HydrophobicContact CD2-CG1 3.82Å; L177-A782 HydrophobicContact CD2-CB 4.33Å
178S87.8Confident89.9Confident49 Ų4959.4 Ų59.434%0.34331%0.314SS..  trans-66.4154172.374.70000111.5E180 D181 K182S178-E180 PolarHBondContact O-N 3.07Å; S178-E180 VanDerWaalsContact O-N 3.11Å; S178-D181 PolarHBondContact O-N 3.04Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 3.41Å; S178-D181 PolarHBondContact OG-OD2 3.1Å; S178-K182 WeakPolarHBondContact O-CG 3.39Å; S178-K182 PolarHBondContact O-N 3.32Å
179D87.6Confident89.7Confident116 Ų11660.3 Ų60.362%0.6232%0.318SS*.THydrogen-bonded Turntrans-59.4-25.5179.5-70.5-29.3000113.8K183D179-K183 WeakPolarHBondContact O-CD 3.46Å; D179-K183 WeakPolarHBondContact O-CG 3.48Å
180E87Confident89.7Confident115 Ų11559 Ų5954%0.53731%0.31SS..THydrogen-bonded Turntrans-74.4-42.3172.1-67.1-162.2164.800111.7S178 K182 K183 T723S178-E180 PolarHBondContact O-N 3.07Å; S178-E180 VanDerWaalsContact O-N 3.11Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K183 PolarHBondContact O-N 2.77Å; E180-K183 VanDerWaalsContact O-N 3.15Å; E180-T723 WeakPolarHBondContact OE2-CB 3Å; E180-T723 WeakPolarHBondContact OE2-CG2 3.45Å
181D88.6Confident89.6Confident6 Ų660.1 Ų60.13%0.03232%0.316CS..G310 helixtrans-68.7-32.7178.9-68.9-37.8000112.2L177 S178 K183 L184 I779L177-D181 HydrophobicContact CB-CB 4.07Å; S178-D181 PolarHBondContact O-N 3.04Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 3.41Å; S178-D181 PolarHBondContact OG-OD2 3.1Å; D181-K183 PolarHBondContact O-N 3.26Å; D181-L184 HydrophobicContact CB-CD1 4.2Å; D181-L184 WeakPolarHBondContact O-CB 3.43Å; D181-L184 WeakPolarHBondContact O-CD1 3.32Å; D181-L184 WeakPolarHBondContact O-CG 3.49Å; D181-L184 PolarHBondContact O-N 3.2Å; D181-L184 VanDerWaalsContact O-N 3.14Å; D181-I779 HydrophobicContact CB-CB 4.33Å; D181-I779 HydrophobicContact CB-CD1 4.18Å
182K90.2Very high89.7Confident55 Ų5559.6 Ų59.624%0.23932%0.316CS..G310 helixtrans-59.7-27.9172.2-65.8-171.7-174.3-1790112.5V174 D175 L177 S178 E180 L184V174-K182 HydrophobicContact CG1-CB 4.25Å; V174-K182 HydrophobicContact CG1-CD 4.09Å; V174-K182 HydrophobicContact CG1-CG 3.63Å; V174-K182 VanDerWaalsContact O-CE 3.22Å; V174-K182 WeakPolarHBondContact O-CE 3.35Å; D175-K182 IonicContact OD1-NZ 2.72Å; D175-K182 PolarHBondContact OD1-NZ 2.73Å; L177-K182 HydrophobicContact CB-CG 4.1Å; L177-K182 WeakPolarHBondContact O-CE 3.39Å; S178-K182 WeakPolarHBondContact O-CG 3.39Å; S178-K182 PolarHBondContact O-N 3.32Å; E180-K182 VanDerWaalsContact C-N 3.34Å; K182-L184 VanDerWaalsContact C-N 3.34Å
183K89.3Confident90Very high141 Ų14155.6 Ų55.661%0.61330%0.295SS*.G310 helixtrans-91.89.9-179.7-63.9171-172.7168.90113.1D179 E180 D181D179-K183 WeakPolarHBondContact O-CD 3.46Å; D179-K183 WeakPolarHBondContact O-CG 3.48Å; E180-K183 PolarHBondContact O-N 2.77Å; E180-K183 VanDerWaalsContact O-N 3.15Å; D181-K183 PolarHBondContact O-N 3.26Å
184L90.5Very high90.3Very high3 Ų355.2 Ų55.22%0.01629%0.292CS..  trans-63.2137.4174.5-72.7167.4000109.8D181 K182 Q186 V187 E188 L206 F724 A725 I779D181-L184 HydrophobicContact CB-CD1 4.2Å; D181-L184 WeakPolarHBondContact O-CB 3.43Å; D181-L184 WeakPolarHBondContact O-CD1 3.32Å; D181-L184 WeakPolarHBondContact O-CG 3.49Å; D181-L184 PolarHBondContact O-N 3.2Å; D181-L184 VanDerWaalsContact O-N 3.14Å; K182-L184 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 2.9Å; L184-Q186 VanDerWaalsContact O-N 3.1Å; L184-V187 HydrophobicContact CB-CB 4.48Å; L184-V187 HydrophobicContact CB-CG2 4.04Å; L184-V187 WeakPolarHBondContact O-CB 3.35Å; L184-V187 PolarHBondContact O-N 3.35Å; L184-E188 PolarHBondContact O-N 3.1Å; L184-L206 HydrophobicContact CD1-CD1 4.26Å; L184-F724 HydrophobicContact CD1-CD1 3.65Å; L184-F724 HydrophobicContact CD1-CE1 4.12Å; L184-F724 HydrophobicContact CD2-CD1 3.98Å; L184-F724 HydrophobicContact CG-CD1 4.49Å; L184-A725 HydrophobicContact CD2-CB 3.75Å; L184-I779 HydrophobicContact CD1-CD1 3.71Å
185P89.1Confident90.7Very high71 Ų7157.5 Ų57.546%0.46130%0.301SS..Hα-helixtrans-54.3-36-178.9-28.535.1000113.7V187 H189P185-V187 VanDerWaalsContact C-N 3.34Å; P185-V187 PolarHBondContact O-N 2.96Å; P185-H189 VanDerWaalsContact O-CB 3.24Å; P185-H189 WeakPolarHBondContact O-CB 3.46Å; P185-H189 PolarHBondContact O-N 3.23Å; P185-H189 PolarHBondContact O-ND1 3.16Å
186Q89.3Confident91Very high21 Ų2157.4 Ų57.410%0.09829%0.293CS..Hα-helixtrans-65.9-34.8177.6-165.6179.993.600112.6L184 V190 L205 L206 L209 E735L184-Q186 PolarHBondContact O-N 2.9Å; L184-Q186 VanDerWaalsContact O-N 3.1Å; Q186-V190 WeakPolarHBondContact O-CB 3.38Å; Q186-V190 WeakPolarHBondContact O-CG1 3.15Å; Q186-V190 PolarHBondContact O-N 3.3Å; Q186-L205 HydrophobicContact CG-CD2 4.15Å; Q186-L206 VanDerWaalsContact OE1-CG 3.26Å; Q186-L209 HydrophobicContact CG-CD1 4.04Å; Q186-E735 PolarHBondContact NE2-OE2 2.87Å
187V90.6Very high91.6Very high3 Ų352.4 Ų52.42%0.01826%0.259CS..Hα-helixtrans-74.4-44.8178.2-179.10000110.3F170 V174 L184 P185 V190 L206 L209F170-V187 HydrophobicContact CE1-CG1 4.27Å; F170-V187 HydrophobicContact CZ-CG1 3.83Å; V174-V187 HydrophobicContact CG1-CG1 4.2Å; V174-V187 HydrophobicContact CG2-CG1 4.27Å; L184-V187 HydrophobicContact CB-CB 4.48Å; L184-V187 HydrophobicContact CB-CG2 4.04Å; L184-V187 WeakPolarHBondContact O-CB 3.35Å; L184-V187 PolarHBondContact O-N 3.35Å; P185-V187 VanDerWaalsContact C-N 3.34Å; P185-V187 PolarHBondContact O-N 2.96Å; V187-V190 WeakPolarHBondContact O-CG1 3.41Å; V187-L206 HydrophobicContact CG2-CD1 3.81Å; V187-L209 HydrophobicContact CG2-CD1 4.13Å; V187-L209 HydrophobicContact CG2-CD2 4.44Å
188E90.4Very high92.1Very high111 Ų11151.9 Ų51.952%0.51926%0.257SS..Hα-helixtrans-67.7-39.6-180-68.2-169.7153.900112.6L184 P192L184-E188 PolarHBondContact O-N 3.1Å; E188-P192 WeakPolarHBondContact O-CD 3.37Å
189H90.2Very high92.5Very high135 Ų13549.6 Ų49.663%0.62524%0.241SC*.Hα-helixtrans-77.1-23.2-177-65.9157.9000113.8P185P185-H189 VanDerWaalsContact O-CB 3.24Å; P185-H189 WeakPolarHBondContact O-CB 3.46Å; P185-H189 PolarHBondContact O-N 3.23Å; P185-H189 PolarHBondContact O-ND1 3.16Å
190V93.3Very high92.9Very high8 Ų844.7 Ų44.75%0.04821%0.214CC..Hα-helixtrans-78.2-38.9-177.977.30000112.1F170 Q186 V187 L193 L194 L209 I213F170-V190 HydrophobicContact CE2-CG1 3.73Å; F170-V190 HydrophobicContact CZ-CG1 4.01Å; Q186-V190 WeakPolarHBondContact O-CB 3.38Å; Q186-V190 WeakPolarHBondContact O-CG1 3.15Å; Q186-V190 PolarHBondContact O-N 3.3Å; V187-V190 WeakPolarHBondContact O-CG1 3.41Å; V190-L193 WeakPolarHBondContact O-CA 3.45Å; V190-L193 WeakPolarHBondContact O-CB 3.46Å; V190-L193 PolarHBondContact O-N 3.08Å; V190-L194 HydrophobicContact CG1-CD1 4.27Å; V190-L194 HydrophobicContact CG2-CD1 4.12Å; V190-L194 HydrophobicContact CG2-CD2 4.34Å; V190-L194 HydrophobicContact CG2-CG 4.07Å; V190-L194 WeakPolarHBondContact O-CG 3.42Å; V190-L194 PolarHBondContact O-N 2.9Å; V190-L209 HydrophobicContact CG1-CD1 4.13Å; V190-L209 HydrophobicContact CG1-CD2 4.07Å; V190-I213 HydrophobicContact CG2-CD1 4.16Å
191L93.9Very high93.3Very high31 Ų3139.7 Ų39.716%0.16219%0.191CC..Hα-helixtrans-55.8-45-175.6177.863.1000113.5F170 L193 L194 K195F170-L191 HydrophobicContact CB-CD1 3.85Å; F170-L191 HydrophobicContact CD1-CB 4.26Å; F170-L191 HydrophobicContact CD1-CD1 3.49Å; F170-L191 VanDerWaalsContact CD1-CD1 3.49Å; F170-L191 HydrophobicContact CD1-CD2 3.97Å; F170-L191 HydrophobicContact CD1-CG 4.09Å; F170-L191 HydrophobicContact CD2-CD1 4.12Å; F170-L191 HydrophobicContact CE1-CB 3.86Å; F170-L191 HydrophobicContact CE1-CD1 3.99Å; F170-L191 HydrophobicContact CE1-CD2 3.97Å; F170-L191 HydrophobicContact CE1-CG 4.14Å; F170-L191 HydrophobicContact CE2-CB 4.38Å; F170-L191 HydrophobicContact CG-CD1 3.54Å; F170-L191 HydrophobicContact CZ-CB 3.92Å; F170-L191 HydrophobicContact CZ-CD1 4.49Å; L191-L193 PolarHBondContact O-N 3.23Å; L191-L194 PolarHBondContact O-N 2.82Å; L191-K195 HydrophobicContact CD1-CD 4.27Å; L191-K195 HydrophobicContact CD1-CG 4.17Å; L191-K195 HydrophobicContact CG-CD 4.25Å; L191-K195 WeakPolarHBondContact O-CG 3.2Å; L191-K195 PolarHBondContact O-N 2.76Å
192P95.1Very high93.5Very high58 Ų5839.4 Ų39.438%0.37719%0.19SC..Hα-helixtrans-60.8-28.2175.1-25.434.9000114.4E188 R196E188-P192 WeakPolarHBondContact O-CD 3.37Å; P192-R196 WeakPolarHBondContact O-CG 3.4Å; P192-R196 PolarHBondContact O-NH1 2.85Å
193L96Very high93.5Very high15 Ų1537.4 Ų37.48%0.07919%0.185CC..Hα-helixtrans-75.8-45.1175.2-64.3176.6000110.6S153 V190 L191 K195 R196 G197 I198 I200S153-L193 VanDerWaalsContact CB-CD2 3.49Å; V190-L193 WeakPolarHBondContact O-CA 3.45Å; V190-L193 WeakPolarHBondContact O-CB 3.46Å; V190-L193 PolarHBondContact O-N 3.08Å; L191-L193 PolarHBondContact O-N 3.23Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 2.74Å; L193-R196 WeakPolarHBondContact O-CA 3.29Å; L193-R196 WeakPolarHBondContact O-CB 3.46Å; L193-R196 PolarHBondContact O-N 3.47Å; L193-G197 PolarHBondContact O-N 3.24Å; L193-I198 CarbonylContact C-O 3.15Å; L193-I198 HydrophobicContact CB-CB 4.45Å; L193-I198 PolarHBondContact O-N 3.18Å; L193-I200 HydrophobicContact CD1-CD1 3.73Å
194L97Very high93.6Very high1 Ų130.7 Ų30.71%0.00516%0.155CC..Hα-helixtrans-60.4-42.4178.5-59.3176000111.4V166 F170 V190 L191 R196 G197 I198 I213 L216 L222V166-L194 HydrophobicContact CG1-CB 3.76Å; F170-L194 HydrophobicContact CD2-CD1 3.69Å; F170-L194 HydrophobicContact CE2-CD1 3.91Å; V190-L194 HydrophobicContact CG1-CD1 4.27Å; V190-L194 HydrophobicContact CG2-CD1 4.12Å; V190-L194 HydrophobicContact CG2-CD2 4.34Å; V190-L194 HydrophobicContact CG2-CG 4.07Å; V190-L194 WeakPolarHBondContact O-CG 3.42Å; V190-L194 PolarHBondContact O-N 2.9Å; L191-L194 PolarHBondContact O-N 2.82Å; L194-R196 PolarHBondContact O-N 2.8Å; L194-G197 WeakPolarHBondContact O-CA 3.12Å; L194-G197 PolarHBondContact O-N 2.96Å; L194-I198 PolarHBondContact N-O 3.38Å; L194-I213 HydrophobicContact CD1-CG1 4.35Å; L194-I213 HydrophobicContact CD2-CD1 4.27Å; L194-I213 HydrophobicContact CD2-CG1 3.78Å; L194-L216 HydrophobicContact CB-CD1 4.34Å; L194-L216 HydrophobicContact CD1-CD1 3.92Å; L194-L216 HydrophobicContact CD2-CD1 4.33Å; L194-L216 HydrophobicContact CG-CD1 4.41Å; L194-L222 HydrophobicContact CB-CD2 4.39Å; L194-L222 HydrophobicContact CD2-CD1 4.17Å; L194-L222 HydrophobicContact CD2-CD2 3.81Å
195K96.8Very high93.8Very high57 Ų5730.9 Ų30.925%0.24816%0.156CC..Hα-helixtrans-57.8-30.2175.4-73.8-179.270.4155.30112.3N158 K163 V166 E167 L191 L193 G197N158-K195 WeakPolarHBondContact CB-O 3.45Å; N158-K195 PolarHBondContact ND2-O 2.99Å; K163-K195 HydrophobicContact CG-CB 4.33Å; K163-K195 WeakPolarHBondContact CG-O 3.41Å; V166-K195 HydrophobicContact CG1-CG 4.27Å; E167-K195 IonicContact OE1-NZ 2.66Å; E167-K195 PolarHBondContact OE1-NZ 3.49Å; E167-K195 IonicContact OE2-NZ 3.3Å; E167-K195 PolarHBondContact OE2-NZ 3.24Å; L191-K195 HydrophobicContact CD1-CD 4.27Å; L191-K195 HydrophobicContact CD1-CG 4.17Å; L191-K195 HydrophobicContact CG-CD 4.25Å; L191-K195 WeakPolarHBondContact O-CG 3.2Å; L191-K195 PolarHBondContact O-N 2.76Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 2.74Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.15Å
196R96.8Very high94Very high94 Ų9427.5 Ų27.536%0.35513%0.134SC..THydrogen-bonded Turntrans-84.64.2176.2-67.2178.5179.694.7-5.3113.8S153 D156 F157 P192 L193 L194 I198S153-R196 WeakPolarHBondContact O-CD 3.33Å; D156-R196 HydrophobicContact CB-CG 4.49Å; D156-R196 WeakPolarHBondContact OD1-CA 3.42Å; F157-R196 WeakPolarHBondContact CB-O 3.3Å; F157-R196 PolarHBondContact N-O 3.36Å; P192-R196 WeakPolarHBondContact O-CG 3.4Å; P192-R196 PolarHBondContact O-NH1 2.85Å; L193-R196 WeakPolarHBondContact O-CA 3.29Å; L193-R196 WeakPolarHBondContact O-CB 3.46Å; L193-R196 PolarHBondContact O-N 3.47Å; L194-R196 PolarHBondContact O-N 2.8Å; R196-I198 HydrophobicContact CB-CD1 4.25Å; R196-I198 HydrophobicContact CB-CG1 4.47Å
197G96.9Very high94.1Very high0 Ų027.5 Ų27.50%014%0.136CC..THydrogen-bonded Turntrans7723-176.300000113.9N158 L193 L194 K195 L221 K223 A224N158-G197 WeakPolarHBondContact ND2-CA 3.2Å; N158-G197 PolarHBondContact ND2-N 3.32Å; L193-G197 PolarHBondContact O-N 3.24Å; L194-G197 WeakPolarHBondContact O-CA 3.12Å; L194-G197 PolarHBondContact O-N 2.96Å; K195-G197 VanDerWaalsContact C-N 3.27Å; K195-G197 PolarHBondContact O-N 3.15Å; G197-L221 WeakPolarHBondContact CA-O 3.36Å; G197-K223 PolarHBondContact O-N 3.44Å; G197-A224 PolarHBondContact O-N 3.44Å; G197-A224 VanDerWaalsContact O-N 3.11Å
198I97.4Very high94.1Very high0 Ų027.8 Ų27.80%014%0.137CC..EExtended strand (participates in β ladder)trans-114.3117.1-178.1-58.6168.1000109.6A149 V152 F157 L193 L194 R196 A224 F226A149-I198 HydrophobicContact CB-CG2 4.18Å; V152-I198 HydrophobicContact CB-CD1 4.48Å; V152-I198 HydrophobicContact CG1-CD1 3.96Å; V152-I198 HydrophobicContact CG1-CG1 4.5Å; F157-I198 HydrophobicContact CD2-CD1 4.4Å; F157-I198 HydrophobicContact CD2-CG1 3.82Å; F157-I198 HydrophobicContact CE2-CD1 4.01Å; F157-I198 HydrophobicContact CE2-CG1 3.7Å; L193-I198 CarbonylContact C-O 3.15Å; L193-I198 HydrophobicContact CB-CB 4.45Å; L193-I198 PolarHBondContact O-N 3.18Å; L194-I198 PolarHBondContact N-O 3.38Å; R196-I198 HydrophobicContact CB-CD1 4.25Å; R196-I198 HydrophobicContact CB-CG1 4.47Å; I198-A224 CarbonylContact C-O 3.55Å; I198-A224 WeakPolarHBondContact CA-O 3.39Å; I198-F226 HydrophobicContact CG2-CD2 4.03Å; I198-F226 HydrophobicContact CG2-CE2 3.86Å
199G96.5Very high94.2Very high0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-106.8155.5176.100000113.2A224 F226G199-A224 PolarHBondContact N-O 3.49Å; G199-F226 PolarHBondContact O-N 2.86Å
200I96.2Very high94.4Very high13 Ų1318.4 Ų18.47%0.0679%0.093CC..EExtended strand (participates in β ladder)trans-126136172-57.9170.9000107.9C145 E146 A149 L193 H202 L205 I213 F226C145-I200 HydrophobicContact CB-CG2 4.43Å; E146-I200 HydrophobicContact CG-CD1 4.34Å; E146-I200 HydrophobicContact CG-CG2 4.25Å; A149-I200 HydrophobicContact CB-CD1 3.61Å; A149-I200 HydrophobicContact CB-CG1 3.54Å; L193-I200 HydrophobicContact CD1-CD1 3.73Å; I200-H202 VanDerWaalsContact CG2-CD2 3.42Å; I200-H202 WeakPolarHBondContact CG2-CD2 3.22Å; I200-L205 HydrophobicContact CB-CD1 4.34Å; I200-L205 HydrophobicContact CG2-CD1 4.2Å; I200-L205 WeakPolarHBondContact O-CD1 3.2Å; I200-I213 WeakPolarHBondContact O-CD1 3.46Å; I200-F226 CarbonylContact C-O 3.52Å; I200-F226 WeakPolarHBondContact CA-O 3.16Å
201H95.1Very high94.3Very high11 Ų1119.3 Ų19.35%0.05110%0.097CC..EExtended strand (participates in β ladder)trans-139.7107.3179.1-168.6-68.3000112E214 L225 F226 A227 T228 F231H201-E214 IonicContact CD2-OE1 3.5Å; H201-E214 IonicContact CE1-OE1 3.75Å; H201-E214 IonicContact NE2-OE1 2.76Å; H201-E214 PolarHBondContact NE2-OE1 3.37Å; H201-L225 HydrophobicContact CB-CD1 4.14Å; H201-F226 PolarHBondContact N-O 3.09Å; H201-A227 HydrophobicContact CB-CB 4.15Å; H201-A227 CarbonylContact O-C 3.5Å; H201-A227 WeakPolarHBondContact O-CA 3.27Å; H201-T228 PolarHBondContact O-N 2.8Å; H201-F231 HydrophobicContact CB-CD2 4.33Å; H201-F231 AromaticContact CD2-CD2 3.68Å; H201-F231 AromaticContact CD2-CE2 3.96Å; H201-F231 AromaticContact CE1-CD2 3.66Å; H201-F231 AromaticContact CG-CD2 3.63Å; H201-F231 AromaticContact ND1-CD2 3.66Å; H201-F231 AromaticContact NE2-CD2 3.69Å
202H93.6Very high94.3Very high0 Ų017.9 Ų17.90%09%0.089CC..  trans-152.3165.6170.956.390.2000111.4K142 E146 I200 G204 L205 T228K142-H202 HydrophobicContact CG-CB 4.17Å; E146-H202 IonicContact OE1-CE1 2.78Å; E146-H202 PolarHBondContact OE1-CE1 3.42Å; E146-H202 VanDerWaalsContact OE1-CE1 3.26Å; E146-H202 IonicContact OE1-NE2 3.18Å; E146-H202 PolarHBondContact OE1-NE2 2.98Å; I200-H202 VanDerWaalsContact CG2-CD2 3.42Å; I200-H202 WeakPolarHBondContact CG2-CD2 3.22Å; H202-G204 WeakPolarHBondContact ND1-CA 3.41Å; H202-G204 PolarHBondContact ND1-N 2.9Å; H202-G204 PolarHBondContact O-N 2.85Å; H202-L205 PolarHBondContact O-N 2.78Å; H202-L205 VanDerWaalsContact O-N 3.11Å; H202-T228 WeakPolarHBondContact CA-OG1 3.49Å; H202-T228 HydrophobicContact CB-CG2 3.53Å; H202-T228 WeakPolarHBondContact CB-OG1 3.32Å
203G89.9Confident94.3Very high13 Ų1315.2 Ų15.213%0.1347%0.072CC..THydrogen-bonded Turntrans-64.23.2178.800000116R740G203-R740 PolarHBondContact O-NH2 3.08Å
204G91.6Very high94.2Very high0 Ų015.4 Ų15.40%07%0.072CC..THydrogen-bonded Turntrans-94.6-16173.700000113.6H202 G736H202-G204 WeakPolarHBondContact ND1-CA 3.41Å; H202-G204 PolarHBondContact ND1-N 2.9Å; H202-G204 PolarHBondContact O-N 2.85Å; G204-G736 VanDerWaalsContact O-CA 3.32Å; G204-G736 WeakPolarHBondContact O-CA 3.44Å; G204-G736 PolarHBondContact O-N 2.99Å
205L93.6Very high94Very high7 Ų717.6 Ų17.64%0.0378%0.084CC..SBendtrans-76.8148.7178.3-63178.9000111.7Q186 I200 H202 K210 I213 G736Q186-L205 HydrophobicContact CG-CD2 4.15Å; I200-L205 HydrophobicContact CB-CD1 4.34Å; I200-L205 HydrophobicContact CG2-CD1 4.2Å; I200-L205 WeakPolarHBondContact O-CD1 3.2Å; H202-L205 PolarHBondContact O-N 2.78Å; H202-L205 VanDerWaalsContact O-N 3.11Å; L205-K210 HydrophobicContact CB-CD 4.31Å; L205-K210 HydrophobicContact CB-CG 3.67Å; L205-K210 HydrophobicContact CD1-CG 4.43Å; L205-I213 HydrophobicContact CD1-CD1 4.13Å; L205-G736 WeakPolarHBondContact O-CA 3.21Å
206L93.1Very high93.9Very high0 Ų014.9 Ų14.90%07%0.072CC..  trans-50.7136.7170.3-69167.3000110.3L184 Q186 V187 I208 L209 K210 F724 E735 I739 I779L184-L206 HydrophobicContact CD1-CD1 4.26Å; Q186-L206 VanDerWaalsContact OE1-CG 3.26Å; V187-L206 HydrophobicContact CG2-CD1 3.81Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CG2 4.33Å; L206-I208 PolarHBondContact O-N 3.2Å; L206-L209 HydrophobicContact CB-CB 4.28Å; L206-L209 HydrophobicContact CB-CD1 4.1Å; L206-L209 HydrophobicContact CB-CG 4.02Å; L206-L209 HydrophobicContact CD1-CD1 3.89Å; L206-L209 HydrophobicContact CD1-CG 4.31Å; L206-L209 HydrophobicContact CG-CD1 4.41Å; L206-L209 PolarHBondContact O-N 3.42Å; L206-L209 VanDerWaalsContact O-N 3.09Å; L206-K210 PolarHBondContact O-N 2.8Å; L206-F724 HydrophobicContact CD2-CE1 3.96Å; L206-F724 HydrophobicContact CD2-CZ 4.21Å; L206-E735 HydrophobicContact CD2-CB 3.94Å; L206-E735 HydrophobicContact CG-CB 4.29Å; L206-I739 HydrophobicContact CD2-CD1 3.29Å; L206-I739 HydrophobicContact CD2-CG1 4.33Å; L206-I779 HydrophobicContact CD1-CD1 3.84Å; L206-I779 HydrophobicContact CD2-CD1 3.85Å; L206-I779 HydrophobicContact CD2-CG1 4.42Å; L206-I779 HydrophobicContact CG-CD1 4.4Å
207P91.5Very high93.8Very high21 Ų2111 Ų1114%0.1366%0.057CC..Hα-helixtrans-50.8-47.2-179.8-3037.1000113.9L209 K210 E211 I739P207-L209 VanDerWaalsContact C-N 3.31Å; P207-L209 PolarHBondContact O-N 3.47Å; P207-K210 WeakPolarHBondContact O-CB 3.38Å; P207-K210 PolarHBondContact O-N 2.98Å; P207-K210 VanDerWaalsContact O-N 3.14Å; P207-E211 WeakPolarHBondContact O-CG 3.45Å; P207-E211 PolarHBondContact O-N 2.96Å; P207-I739 HydrophobicContact CG-CG2 3.83Å
208I91.5Very high93.6Very high8 Ų814.5 Ų14.54%0.0418%0.082CC..Hα-helixtrans-60.8-38.1179.6-164.8169.4000112.9A173 L177 L206 T212 L785A173-I208 VanDerWaalsContact O-CD1 3.29Å; A173-I208 WeakPolarHBondContact O-CD1 3.39Å; L177-I208 HydrophobicContact CD1-CD1 4.3Å; L177-I208 HydrophobicContact CD1-CG2 4.17Å; L177-I208 HydrophobicContact CD2-CD1 3.8Å; L177-I208 HydrophobicContact CD2-CG2 4.48Å; L177-I208 HydrophobicContact CG-CD1 3.92Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CG2 4.33Å; L206-I208 PolarHBondContact O-N 3.2Å; I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 3.01Å; I208-T212 PolarHBondContact O-OG1 2.89Å; I208-L785 HydrophobicContact CG1-CD1 4.19Å; I208-L785 HydrophobicContact CG1-CG 4.37Å
209L93.3Very high93.3Very high1 Ų120.8 Ų20.81%0.00511%0.112CC..Hα-helixtrans-69.7-39.4176.8-66.2-176.7000111.3F170 Q186 V187 V190 L206 P207 E211 T212 I213F170-L209 HydrophobicContact CE2-CD2 3.84Å; F170-L209 HydrophobicContact CZ-CD2 4.24Å; Q186-L209 HydrophobicContact CG-CD1 4.04Å; V187-L209 HydrophobicContact CG2-CD1 4.13Å; V187-L209 HydrophobicContact CG2-CD2 4.44Å; V190-L209 HydrophobicContact CG1-CD1 4.13Å; V190-L209 HydrophobicContact CG1-CD2 4.07Å; L206-L209 HydrophobicContact CB-CB 4.28Å; L206-L209 HydrophobicContact CB-CD1 4.1Å; L206-L209 HydrophobicContact CB-CG 4.02Å; L206-L209 HydrophobicContact CD1-CD1 3.89Å; L206-L209 HydrophobicContact CD1-CG 4.31Å; L206-L209 HydrophobicContact CG-CD1 4.41Å; L206-L209 PolarHBondContact O-N 3.42Å; L206-L209 VanDerWaalsContact O-N 3.09Å; P207-L209 VanDerWaalsContact C-N 3.31Å; P207-L209 PolarHBondContact O-N 3.47Å; L209-E211 PolarHBondContact O-N 3.06Å; L209-T212 PolarHBondContact O-N 3.08Å; L209-I213 WeakPolarHBondContact O-CB 3.47Å; L209-I213 WeakPolarHBondContact O-CD1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.27Å; L209-I213 PolarHBondContact O-N 2.76Å
210K92.4Very high93.2Very high49 Ų4922.2 Ų22.221%0.21313%0.126CC..Hα-helixtrans-61-46.2175.8-67.5-175.5-68.1147.80111.4L205 L206 P207 I213 E214L205-K210 HydrophobicContact CB-CD 4.31Å; L205-K210 HydrophobicContact CB-CG 3.67Å; L205-K210 HydrophobicContact CD1-CG 4.43Å; L206-K210 PolarHBondContact O-N 2.8Å; P207-K210 WeakPolarHBondContact O-CB 3.38Å; P207-K210 PolarHBondContact O-N 2.98Å; P207-K210 VanDerWaalsContact O-N 3.14Å; K210-I213 PolarHBondContact O-N 2.64Å; K210-E214 WeakPolarHBondContact O-CB 3.37Å; K210-E214 WeakPolarHBondContact O-CG 3.46Å; K210-E214 PolarHBondContact O-N 2.94Å
211E92.3Very high93.2Very high27 Ų2722 Ų2213%0.12613%0.125CC..Hα-helixtrans-65.1-40.8179-65.2175.4174.500111.2P207 L209 I213 E214 I215 S784 L785 Y786P207-E211 WeakPolarHBondContact O-CG 3.45Å; P207-E211 PolarHBondContact O-N 2.96Å; L209-E211 PolarHBondContact O-N 3.06Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 2.66Å; E211-E214 WeakPolarHBondContact O-CB 3.37Å; E211-E214 PolarHBondContact O-N 3.22Å; E211-I215 VanDerWaalsContact O-CG1 3.31Å; E211-I215 WeakPolarHBondContact O-CG1 3.47Å; E211-I215 PolarHBondContact O-N 3.33Å; E211-S784 WeakPolarHBondContact OE1-CB 3.31Å; E211-S784 PolarHBondContact OE1-OG 3.39Å; E211-S784 VanDerWaalsContact OE2-CA 3.29Å; E211-S784 WeakPolarHBondContact OE2-CA 3.45Å; E211-S784 PolarHBondContact OE2-OG 3.12Å; E211-L785 HydrophobicContact CB-CB 4.26Å; E211-L785 HydrophobicContact CB-CD1 3.97Å; E211-L785 HydrophobicContact CB-CG 4.32Å; E211-L785 PolarHBondContact OE2-N 2.8Å; E211-Y786 HydrophobicContact CB-CE2 4.2Å; E211-Y786 HydrophobicContact CG-CD2 4.11Å; E211-Y786 HydrophobicContact CG-CE2 3.77Å
212T93.7Very high93.3Very high1 Ų121.5 Ų21.51%0.00612%0.123CC..Hα-helixtrans-60.4-43.7174.1-54.60000111.4F170 A173 I208 L209 E214 I215 L216 L785F170-T212 HydrophobicContact CD2-CG2 4.12Å; A173-T212 HydrophobicContact CB-CG2 4.09Å; A173-T212 WeakPolarHBondContact CB-OG1 3.38Å; I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 3.01Å; I208-T212 PolarHBondContact O-OG1 2.89Å; L209-T212 PolarHBondContact O-N 3.08Å; T212-E214 VanDerWaalsContact C-N 3.35Å; T212-I215 PolarHBondContact O-N 3.39Å; T212-L216 HydrophobicContact CG2-CD1 4.1Å; T212-L216 HydrophobicContact CG2-CG 4.42Å; T212-L216 WeakPolarHBondContact O-CB 2.97Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.39Å; T212-L216 PolarHBondContact O-N 3.27Å; T212-L785 WeakPolarHBondContact OG1-CD1 3.49Å
213I94.9Very high93.5Very high1 Ų122.7 Ų22.71%0.00513%0.128CC..Hα-helixtrans-66.8-38.5178.7-69.7169.4000111.3V190 L194 I200 L205 L209 K210 E211 L216 F217 L222 L225V190-I213 HydrophobicContact CG2-CD1 4.16Å; L194-I213 HydrophobicContact CD1-CG1 4.35Å; L194-I213 HydrophobicContact CD2-CD1 4.27Å; L194-I213 HydrophobicContact CD2-CG1 3.78Å; I200-I213 WeakPolarHBondContact O-CD1 3.46Å; L205-I213 HydrophobicContact CD1-CD1 4.13Å; L209-I213 WeakPolarHBondContact O-CB 3.47Å; L209-I213 WeakPolarHBondContact O-CD1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.27Å; L209-I213 PolarHBondContact O-N 2.76Å; K210-I213 PolarHBondContact O-N 2.64Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 2.66Å; I213-L216 PolarHBondContact O-N 3.43Å; I213-F217 VanDerWaalsContact O-CB 3.31Å; I213-F217 WeakPolarHBondContact O-CB 3.27Å; I213-F217 PolarHBondContact O-N 2.71Å; I213-L222 HydrophobicContact CB-CD1 4.45Å; I213-L222 HydrophobicContact CG2-CD1 3.75Å; I213-L222 WeakPolarHBondContact O-CD1 3.34Å; I213-L225 HydrophobicContact CG2-CD1 3.67Å
214E93.7Very high93.8Very high19 Ų1922.1 Ų22.19%0.08912%0.122CC..Hα-helixtrans-59.8-47.4173.3-78.8165.9-166.500111.3H201 K210 E211 T212 F217 S218 F231 I235 M237 Y786H201-E214 IonicContact CD2-OE1 3.5Å; H201-E214 IonicContact CE1-OE1 3.75Å; H201-E214 IonicContact NE2-OE1 2.76Å; H201-E214 PolarHBondContact NE2-OE1 3.37Å; K210-E214 WeakPolarHBondContact O-CB 3.37Å; K210-E214 WeakPolarHBondContact O-CG 3.46Å; K210-E214 PolarHBondContact O-N 2.94Å; E211-E214 WeakPolarHBondContact O-CB 3.37Å; E211-E214 PolarHBondContact O-N 3.22Å; T212-E214 VanDerWaalsContact C-N 3.35Å; E214-F217 PolarHBondContact O-N 2.82Å; E214-S218 PolarHBondContact O-N 2.88Å; E214-S218 PolarHBondContact O-OG 3.12Å; E214-F231 HydrophobicContact CG-CE2 4.39Å; E214-I235 WeakPolarHBondContact OE2-CD1 3.4Å; E214-M237 HydrophobicContact CB-CE 3.46Å; E214-M237 VanDerWaalsContact CB-CE 3.46Å; E214-M237 HydrophobicContact CB-SD 3.96Å; E214-M237 HydrophobicContact CG-CE 3.94Å; E214-M237 HydrophobicContact CG-SD 4Å; E214-M237 WeakPolarHBondContact O-CE 3.4Å; E214-Y786 VanDerWaalsContact CB-OH 3.25Å; E214-Y786 WeakPolarHBondContact CB-OH 3.44Å; E214-Y786 WeakPolarHBondContact OE2-CE2 3.36Å; E214-Y786 PolarHBondContact OE2-OH 2.64Å
215I93.1Very high94.1Very high48 Ų4822.1 Ų22.125%0.24612%0.122CC..Hα-helixtrans-61.4-50175.5-66.8162.9000110.9V169 E211 T212 F217 S218 E219 L785V169-I215 HydrophobicContact CG1-CG2 4.35Å; E211-I215 VanDerWaalsContact O-CG1 3.31Å; E211-I215 WeakPolarHBondContact O-CG1 3.47Å; E211-I215 PolarHBondContact O-N 3.33Å; T212-I215 PolarHBondContact O-N 3.39Å; I215-F217 PolarHBondContact O-N 3.47Å; I215-S218 PolarHBondContact O-N 3.48Å; I215-S218 VanDerWaalsContact O-N 3.15Å; I215-S218 PolarHBondContact O-OG 2.91Å; I215-E219 HydrophobicContact CG2-CG 4.44Å; I215-E219 WeakPolarHBondContact O-CG 3.49Å; I215-E219 PolarHBondContact O-N 2.71Å; I215-L785 HydrophobicContact CD1-CB 4.09Å; I215-L785 HydrophobicContact CD1-CD1 4.16Å
216L95.5Very high94.2Very high0 Ų021.9 Ų21.90%012%0.12CC..Hα-helixtrans-61.3-31.3179.3-69.1173.6000112.3V166 V169 L194 T212 I213 G220 L221 L222V166-L216 HydrophobicContact CB-CD2 4.46Å; V166-L216 HydrophobicContact CG1-CD1 4.18Å; V166-L216 HydrophobicContact CG1-CD2 4.44Å; V166-L216 HydrophobicContact CG2-CD2 4.22Å; V169-L216 HydrophobicContact CB-CD2 3.92Å; V169-L216 HydrophobicContact CG1-CD2 3.75Å; V169-L216 HydrophobicContact CG1-CG 4.34Å; L194-L216 HydrophobicContact CB-CD1 4.34Å; L194-L216 HydrophobicContact CD1-CD1 3.92Å; L194-L216 HydrophobicContact CD2-CD1 4.33Å; L194-L216 HydrophobicContact CG-CD1 4.41Å; T212-L216 HydrophobicContact CG2-CD1 4.1Å; T212-L216 HydrophobicContact CG2-CG 4.42Å; T212-L216 WeakPolarHBondContact O-CB 2.97Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.39Å; T212-L216 PolarHBondContact O-N 3.27Å; I213-L216 PolarHBondContact O-N 3.43Å; L216-G220 PolarHBondContact O-N 3.03Å; L216-L221 HydrophobicContact CD2-CB 4.39Å; L216-L221 HydrophobicContact CD2-CD1 3.66Å; L216-L221 WeakPolarHBondContact O-CB 3.42Å; L216-L221 PolarHBondContact O-N 3.39Å; L216-L222 HydrophobicContact CB-CD1 3.77Å; L216-L222 HydrophobicContact CB-CD2 4.35Å; L216-L222 HydrophobicContact CB-CG 3.75Å; L216-L222 PolarHBondContact O-N 3.38Å
217F95.1Very high94.3Very high11 Ų1121.9 Ų21.95%0.04812%0.12CC..Hα-helixtrans-72.2-42.7175.3-171-100.5000112P134 I136 I213 E214 I215 E219 G220 L222 L225 M237 A239P134-F217 HydrophobicContact CB-CE2 3.97Å; P134-F217 HydrophobicContact CB-CZ 4.15Å; P134-F217 HydrophobicContact CG-CZ 4.37Å; I136-F217 HydrophobicContact CD1-CE1 4.42Å; I136-F217 HydrophobicContact CD1-CZ 4.17Å; I136-F217 HydrophobicContact CG1-CE2 4.43Å; I136-F217 HydrophobicContact CG1-CZ 3.85Å; I213-F217 VanDerWaalsContact O-CB 3.31Å; I213-F217 WeakPolarHBondContact O-CB 3.27Å; I213-F217 PolarHBondContact O-N 2.71Å; E214-F217 PolarHBondContact O-N 2.82Å; I215-F217 PolarHBondContact O-N 3.47Å; F217-E219 VanDerWaalsContact C-N 3.3Å; F217-E219 PolarHBondContact O-N 2.92Å; F217-G220 PolarHBondContact O-N 3.28Å; F217-G220 VanDerWaalsContact O-N 3.09Å; F217-L222 HydrophobicContact CB-CB 4.44Å; F217-L222 HydrophobicContact CB-CD1 4.24Å; F217-L222 HydrophobicContact CD2-CB 4Å; F217-L225 HydrophobicContact CD1-CD2 4.43Å; F217-L225 HydrophobicContact CD2-CB 3.94Å; F217-L225 HydrophobicContact CD2-CD2 3.92Å; F217-L225 HydrophobicContact CD2-CG 4.43Å; F217-L225 HydrophobicContact CE2-CB 3.82Å; F217-L225 HydrophobicContact CE2-CD2 4.13Å; F217-L225 HydrophobicContact CG-CD2 4.1Å; F217-L225 HydrophobicContact CZ-CD2 4.47Å; F217-M237 HydrophobicContact CD1-CB 4.05Å; F217-M237 HydrophobicContact CD1-SD 4.25Å; F217-M237 HydrophobicContact CE1-CB 4.13Å; F217-A239 HydrophobicContact CZ-CB 3.98Å
218S90.9Very high94.4Very high74 Ų7421.4 Ų21.452%0.51712%0.117SC..Hα-helixtrans-65.5-33.6176.755.40000113E214 I215 G220E214-S218 PolarHBondContact O-N 2.88Å; E214-S218 PolarHBondContact O-OG 3.12Å; I215-S218 PolarHBondContact O-N 3.48Å; I215-S218 VanDerWaalsContact O-N 3.15Å; I215-S218 PolarHBondContact O-OG 2.91Å; S218-G220 PolarHBondContact O-N 2.95Å
219E92.4Very high94.3Very high133 Ų13322.9 Ų22.962%0.62112%0.124SC*.THydrogen-bonded Turntrans-75.3-2.4174.3-65.1-56.2136.100113.2I215 F217 L221I215-E219 HydrophobicContact CG2-CG 4.44Å; I215-E219 WeakPolarHBondContact O-CG 3.49Å; I215-E219 PolarHBondContact O-N 2.71Å; F217-E219 VanDerWaalsContact C-N 3.3Å; F217-E219 PolarHBondContact O-N 2.92Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 HydrophobicContact CB-CD1 4.14Å; E219-L221 HydrophobicContact CB-CG 4.15Å; E219-L221 PolarHBondContact O-N 3.38Å
220G93.4Very high93.9Very high30 Ų3026.4 Ų26.431%0.30915%0.146SC..THydrogen-bonded Turntrans73.514.5178.300000114.7L216 F217 S218 K223L216-G220 PolarHBondContact O-N 3.03Å; F217-G220 PolarHBondContact O-N 3.28Å; F217-G220 VanDerWaalsContact O-N 3.09Å; S218-G220 PolarHBondContact O-N 2.95Å; G220-K223 PolarHBondContact O-NZ 3Å
221L96.8Very high93.8Very high9 Ų924.4 Ų24.45%0.04714%0.137CC..  trans-82.1-15.7178.3-61.4172.2000112.8N158 E162 L165 V166 G197 L216 E219N158-L221 PolarHBondContact ND2-O 2.79Å; N158-L221 PolarHBondContact OD1-O 2.77Å; E162-L221 HydrophobicContact CB-CD2 4.15Å; E162-L221 HydrophobicContact CG-CD2 4.12Å; L165-L221 HydrophobicContact CB-CD1 4.49Å; L165-L221 HydrophobicContact CD2-CD1 3.97Å; L165-L221 HydrophobicContact CD2-CD2 3.97Å; L165-L221 HydrophobicContact CG-CD1 3.93Å; L165-L221 HydrophobicContact CG-CD2 4.49Å; V166-L221 HydrophobicContact CG2-CB 3.72Å; V166-L221 HydrophobicContact CG2-CD1 4.04Å; V166-L221 HydrophobicContact CG2-CD2 4.46Å; V166-L221 HydrophobicContact CG2-CG 4.29Å; G197-L221 WeakPolarHBondContact CA-O 3.36Å; L216-L221 HydrophobicContact CD2-CB 4.39Å; L216-L221 HydrophobicContact CD2-CD1 3.66Å; L216-L221 WeakPolarHBondContact O-CB 3.42Å; L216-L221 PolarHBondContact O-N 3.39Å; E219-L221 VanDerWaalsContact C-N 3.26Å; E219-L221 HydrophobicContact CB-CD1 4.14Å; E219-L221 HydrophobicContact CB-CG 4.15Å; E219-L221 PolarHBondContact O-N 3.38Å
222L97.3Very high93.4Very high0 Ų023.2 Ų23.20%013%0.132CC..  trans-107.7113.5173.1-58.4-179000110.1L194 I213 L216 F217L194-L222 HydrophobicContact CB-CD2 4.39Å; L194-L222 HydrophobicContact CD2-CD1 4.17Å; L194-L222 HydrophobicContact CD2-CD2 3.81Å; I213-L222 HydrophobicContact CB-CD1 4.45Å; I213-L222 HydrophobicContact CG2-CD1 3.75Å; I213-L222 WeakPolarHBondContact O-CD1 3.34Å; L216-L222 HydrophobicContact CB-CD1 3.77Å; L216-L222 HydrophobicContact CB-CD2 4.35Å; L216-L222 HydrophobicContact CB-CG 3.75Å; L216-L222 PolarHBondContact O-N 3.38Å; F217-L222 HydrophobicContact CB-CB 4.44Å; F217-L222 HydrophobicContact CB-CD1 4.24Å; F217-L222 HydrophobicContact CD2-CB 4Å
223K97Very high92.6Very high25 Ų2529.2 Ų29.211%0.10916%0.161CC..SBendtrans-86.4-30.6-178.9-46.2-57.1179.9-175.70111.7M128 Q133 P134 V135 F157 N158 E162 G197 G220M128-K223 HydrophobicContact CE-CB 3.68Å; M128-K223 HydrophobicContact SD-CB 4.02Å; Q133-K223 HydrophobicContact CB-CB 4.38Å; P134-K223 CarbonylContact C-O 3.55Å; P134-K223 VanDerWaalsContact CA-O 3.29Å; P134-K223 WeakPolarHBondContact CA-O 3.44Å; V135-K223 PolarHBondContact N-O 3.4Å; F157-K223 HydrophobicContact CB-CB 4Å; F157-K223 HydrophobicContact CB-CG 3.73Å; F157-K223 HydrophobicContact CD2-CB 4.46Å; F157-K223 HydrophobicContact CG-CB 4.45Å; N158-K223 WeakPolarHBondContact OD1-CE 3.05Å; E162-K223 WeakPolarHBondContact OE1-CE 3.44Å; E162-K223 IonicContact OE1-NZ 3.79Å; E162-K223 PolarHBondContact OE1-NZ 2.91Å; G197-K223 PolarHBondContact O-N 3.44Å; G220-K223 PolarHBondContact O-NZ 3Å
224A97.3Very high91.2Very high0 Ų032 Ų320%019%0.19CC..EExtended strand (participates in β ladder)trans-127.4123.1176.400000110.9V124 M128 V135 I137 F157 G197 I198 G199 F226V124-A224 HydrophobicContact CG1-CB 4.45Å; M128-A224 HydrophobicContact CE-CB 3.73Å; V135-A224 HydrophobicContact CG1-CB 4.01Å; I137-A224 HydrophobicContact CD1-CB 4.1Å; F157-A224 HydrophobicContact CE2-CB 4.22Å; G197-A224 PolarHBondContact O-N 3.44Å; G197-A224 VanDerWaalsContact O-N 3.11Å; I198-A224 CarbonylContact C-O 3.55Å; I198-A224 WeakPolarHBondContact CA-O 3.39Å; G199-A224 PolarHBondContact N-O 3.49Å; A224-F226 HydrophobicContact CB-CE2 4.36Å
225L97.3Very high90.1Very high1 Ų134.2 Ų34.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-117.7115.3178.6-176.765.3000110.5V135 I136 I137 H201 I213 F217 F231V135-L225 PolarHBondContact O-N 2.97Å; I136-L225 CarbonylContact C-O 3.58Å; I136-L225 WeakPolarHBondContact CA-O 3.44Å; I136-L225 HydrophobicContact CG1-CD2 4.44Å; I137-L225 PolarHBondContact N-O 3.33Å; H201-L225 HydrophobicContact CB-CD1 4.14Å; I213-L225 HydrophobicContact CG2-CD1 3.67Å; F217-L225 HydrophobicContact CD1-CD2 4.43Å; F217-L225 HydrophobicContact CD2-CB 3.94Å; F217-L225 HydrophobicContact CD2-CD2 3.92Å; F217-L225 HydrophobicContact CD2-CG 4.43Å; F217-L225 HydrophobicContact CE2-CB 3.82Å; F217-L225 HydrophobicContact CE2-CD2 4.13Å; F217-L225 HydrophobicContact CG-CD2 4.1Å; F217-L225 HydrophobicContact CZ-CD2 4.47Å; L225-F231 HydrophobicContact CD2-CD1 4.35Å; L225-F231 HydrophobicContact CD2-CE1 3.71Å; L225-F231 HydrophobicContact CD2-CE2 3.89Å; L225-F231 HydrophobicContact CD2-CZ 3.44Å; L225-F231 VanDerWaalsContact CD2-CZ 3.44Å
226F96.7Very high89.2Confident1 Ų138.3 Ų38.30%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-89.5110174.8-67.1-89.8000109.8V120 I137 C145 A149 V152 I198 G199 I200 H201 A224V120-F226 HydrophobicContact CG1-CE1 4.09Å; I137-F226 HydrophobicContact CB-CD1 3.74Å; I137-F226 HydrophobicContact CB-CE1 3.93Å; I137-F226 HydrophobicContact CB-CG 4.41Å; I137-F226 HydrophobicContact CD1-CD1 4.26Å; I137-F226 HydrophobicContact CD1-CD2 4.42Å; I137-F226 HydrophobicContact CD1-CE1 4.02Å; I137-F226 HydrophobicContact CD1-CE2 4.2Å; I137-F226 HydrophobicContact CD1-CG 4.45Å; I137-F226 HydrophobicContact CD1-CZ 4Å; I137-F226 HydrophobicContact CG1-CD1 4.2Å; I137-F226 HydrophobicContact CG1-CE1 3.93Å; I137-F226 HydrophobicContact CG1-CZ 4.33Å; I137-F226 HydrophobicContact CG2-CD1 3.83Å; I137-F226 HydrophobicContact CG2-CE1 3.89Å; C145-F226 HydrophobicContact CB-CB 4.42Å; A149-F226 HydrophobicContact CB-CB 4.42Å; A149-F226 HydrophobicContact CB-CD2 3.6Å; A149-F226 HydrophobicContact CB-CE2 4.04Å; A149-F226 HydrophobicContact CB-CG 3.99Å; V152-F226 HydrophobicContact CB-CE2 4.37Å; V152-F226 HydrophobicContact CB-CZ 4.07Å; V152-F226 HydrophobicContact CG2-CZ 3.78Å; I198-F226 HydrophobicContact CG2-CD2 4.03Å; I198-F226 HydrophobicContact CG2-CE2 3.86Å; G199-F226 PolarHBondContact O-N 2.86Å; I200-F226 CarbonylContact C-O 3.52Å; I200-F226 WeakPolarHBondContact CA-O 3.16Å; H201-F226 PolarHBondContact N-O 3.09Å; A224-F226 HydrophobicContact CB-CE2 4.36Å
227A95.2Very high88.8Confident0 Ų039 Ų390%023%0.228CC..EExtended strand (participates in β ladder)trans-126.1147.2-169.700000113.7I136 I137 F138 S139 H201 F231I136-A227 HydrophobicContact CG2-CB 4.24Å; I137-A227 PolarHBondContact O-N 3.15Å; F138-A227 VanDerWaalsContact CA-O 3.32Å; F138-A227 WeakPolarHBondContact CA-O 3.41Å; F138-A227 HydrophobicContact CD1-CB 4.34Å; F138-A227 HydrophobicContact CE1-CB 4.26Å; S139-A227 PolarHBondContact N-O 3.39Å; H201-A227 HydrophobicContact CB-CB 4.15Å; H201-A227 CarbonylContact O-C 3.5Å; H201-A227 WeakPolarHBondContact O-CA 3.27Å; A227-F231 HydrophobicContact CB-CB 3.78Å; A227-F231 HydrophobicContact CB-CD1 4.16Å; A227-F231 HydrophobicContact CB-CG 4.02Å
228T92.6Very high88.7Confident12 Ų1240.9 Ų40.97%0.07424%0.241CC..  trans-79.8161.6162.453.30000111.5S139 K142 H201 H202 T230 F231S139-T228 WeakPolarHBondContact O-CA 3.29Å; K142-T228 HydrophobicContact CG-CG2 4.5Å; H201-T228 PolarHBondContact O-N 2.8Å; H202-T228 WeakPolarHBondContact CA-OG1 3.49Å; H202-T228 HydrophobicContact CB-CG2 3.53Å; H202-T228 WeakPolarHBondContact CB-OG1 3.32Å; T228-T230 PolarHBondContact O-N 3.09Å; T228-T230 PolarHBondContact OG1-OG1 3.41Å; T228-T230 VanDerWaalsContact OG1-OG1 3.08Å; T228-F231 WeakPolarHBondContact O-CB 3.48Å; T228-F231 PolarHBondContact O-N 3.3Å
229E88.4Confident88.9Confident38 Ų3837.3 Ų37.318%0.17822%0.216CC..THydrogen-bonded Turntrans-46.9-33.6178.4-179.1-178.2-166.500114.4F231 A232 K249 M266E229-F231 PolarHBondContact O-N 3.08Å; E229-F231 VanDerWaalsContact O-N 3.08Å; E229-A232 VanDerWaalsContact O-CB 3.32Å; E229-A232 WeakPolarHBondContact O-CB 3.38Å; E229-A232 PolarHBondContact O-N 3.3Å; E229-K249 IonicContact OE1-NZ 3.89Å; E229-K249 PolarHBondContact OE1-NZ 3.33Å; E229-K249 VanDerWaalsContact OE2-CE 3.25Å; E229-K249 WeakPolarHBondContact OE2-CE 3.37Å; E229-K249 IonicContact OE2-NZ 3.71Å; E229-K249 PolarHBondContact OE2-NZ 3.49Å; E229-M266 HydrophobicContact CG-SD 4.42Å
230T86.3Confident89.1Confident75 Ų7533.1 Ų33.146%0.4620%0.195SC..Hα-helixtrans-56.4-27.6178.7550000113.7T228 A232 M233 G234T228-T230 PolarHBondContact O-N 3.09Å; T228-T230 PolarHBondContact OG1-OG1 3.41Å; T228-T230 VanDerWaalsContact OG1-OG1 3.08Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 3.08Å; T230-M233 PolarHBondContact O-N 3.11Å; T230-M233 VanDerWaalsContact O-N 3.13Å; T230-G234 PolarHBondContact O-N 3.24Å
231F89.8Confident89.3Confident7 Ų731.7 Ų31.73%0.03118%0.18CC..Hα-helixtrans-63.8-34.3175.3-173.9-104.6000111.7I136 F138 H201 E214 L225 A227 T228 E229 M233 G234 M237I136-F231 HydrophobicContact CD1-CD1 4.44Å; I136-F231 HydrophobicContact CD1-CE1 3.78Å; I136-F231 HydrophobicContact CG1-CE1 4.28Å; I136-F231 HydrophobicContact CG2-CD1 4.4Å; F138-F231 HydrophobicContact CE1-CB 4.31Å; F138-F231 HydrophobicContact CE1-CD1 4.45Å; F138-F231 HydrophobicContact CZ-CD1 4.45Å; H201-F231 HydrophobicContact CB-CD2 4.33Å; H201-F231 AromaticContact CD2-CD2 3.68Å; H201-F231 AromaticContact CD2-CE2 3.96Å; H201-F231 AromaticContact CE1-CD2 3.66Å; H201-F231 AromaticContact CG-CD2 3.63Å; H201-F231 AromaticContact ND1-CD2 3.66Å; H201-F231 AromaticContact NE2-CD2 3.69Å; E214-F231 HydrophobicContact CG-CE2 4.39Å; L225-F231 HydrophobicContact CD2-CD1 4.35Å; L225-F231 HydrophobicContact CD2-CE1 3.71Å; L225-F231 HydrophobicContact CD2-CE2 3.89Å; L225-F231 HydrophobicContact CD2-CZ 3.44Å; L225-F231 VanDerWaalsContact CD2-CZ 3.44Å; A227-F231 HydrophobicContact CB-CB 3.78Å; A227-F231 HydrophobicContact CB-CD1 4.16Å; A227-F231 HydrophobicContact CB-CG 4.02Å; T228-F231 WeakPolarHBondContact O-CB 3.48Å; T228-F231 PolarHBondContact O-N 3.3Å; E229-F231 PolarHBondContact O-N 3.08Å; E229-F231 VanDerWaalsContact O-N 3.08Å; F231-M233 PolarHBondContact O-N 3.47Å; F231-G234 PolarHBondContact O-N 3.16Å; F231-M237 HydrophobicContact CE1-CB 4.23Å; F231-M237 HydrophobicContact CE2-SD 4.03Å; F231-M237 HydrophobicContact CZ-CB 3.69Å; F231-M237 HydrophobicContact CZ-CG 4.31Å; F231-M237 HydrophobicContact CZ-SD 3.9Å
232A84.1Confident89.3Confident2 Ų231.2 Ų31.22%0.01718%0.178CC..Hα-helixtrans-69.2-15.8176.600000113F138 E229 T230 Q265 M266 R269F138-A232 HydrophobicContact CE1-CB 4.04Å; F138-A232 HydrophobicContact CZ-CB 3.85Å; E229-A232 VanDerWaalsContact O-CB 3.32Å; E229-A232 WeakPolarHBondContact O-CB 3.38Å; E229-A232 PolarHBondContact O-N 3.3Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 3.08Å; A232-Q265 HydrophobicContact CB-CG 4.1Å; A232-Q265 PolarHBondContact O-NE2 2.83Å; A232-M266 HydrophobicContact CB-CG 3.81Å; A232-R269 PolarHBondContact O-NE 3.48Å; A232-R269 PolarHBondContact O-NH2 3.48Å
233M77.6Confident89.3Confident128 Ų12831.2 Ų31.263%0.63118%0.178SC*.Hα-helixtrans-95.4-27.5179.1-55.7-177.771.500113.8T230 F231T230-M233 PolarHBondContact O-N 3.11Å; T230-M233 VanDerWaalsContact O-N 3.13Å; F231-M233 PolarHBondContact O-N 3.47Å
234G64.2Low89.2Confident59 Ų5930.1 Ų30.161%0.60817%0.173SC*.Hα-helixtrans-86.4-53.3-159.300000116.8T230 F231T230-G234 PolarHBondContact O-N 3.24Å; F231-G234 PolarHBondContact O-N 3.16Å
235I70.2Confident88.9Confident66 Ų6630.8 Ų30.834%0.33818%0.177SC..SBendtrans-140.9152.9-170.2-59.2179.6000109.5E214 M237 R269 Y786E214-I235 WeakPolarHBondContact OE2-CD1 3.4Å; I235-M237 HydrophobicContact CG2-CE 3.86Å; I235-M237 HydrophobicContact CG2-CG 4.04Å; I235-M237 PolarHBondContact O-N 2.94Å; I235-R269 VanDerWaalsContact O-CZ 3.25Å; I235-R269 PolarHBondContact O-NH1 3.13Å; I235-R269 VanDerWaalsContact O-NH1 3.08Å; I235-R269 PolarHBondContact O-NH2 2.87Å; I235-Y786 HydrophobicContact CD1-CE2 4.18Å
236N76Confident88.3Confident133 Ų13332.4 Ų32.471%0.71119%0.188SC*.  trans-79.977.4177.7-167.627.4000113.2P238 R269N236-P238 WeakPolarHBondContact O-CD 3.27Å; N236-R269 PolarHBondContact OD1-NH1 3.45Å
237M86Confident87.6Confident16 Ų1632.5 Ų32.58%0.07919%0.189CC..  trans-11293.9176.1-67.6-171.8178.100111E214 F217 F231 I235E214-M237 HydrophobicContact CB-CE 3.46Å; E214-M237 VanDerWaalsContact CB-CE 3.46Å; E214-M237 HydrophobicContact CB-SD 3.96Å; E214-M237 HydrophobicContact CG-CE 3.94Å; E214-M237 HydrophobicContact CG-SD 4Å; E214-M237 WeakPolarHBondContact O-CE 3.4Å; F217-M237 HydrophobicContact CD1-CB 4.05Å; F217-M237 HydrophobicContact CD1-SD 4.25Å; F217-M237 HydrophobicContact CE1-CB 4.13Å; F231-M237 HydrophobicContact CE1-CB 4.23Å; F231-M237 HydrophobicContact CE2-SD 4.03Å; F231-M237 HydrophobicContact CZ-CB 3.69Å; F231-M237 HydrophobicContact CZ-CG 4.31Å; F231-M237 HydrophobicContact CZ-SD 3.9Å; I235-M237 HydrophobicContact CG2-CE 3.86Å; I235-M237 HydrophobicContact CG2-CG 4.04Å; I235-M237 PolarHBondContact O-N 2.94Å
238P92.3Very high87Confident49 Ų4934.1 Ų34.132%0.31820%0.195SC..  trans-80.1151.7178.832.8-34.8000112N236 R269 R272N236-P238 WeakPolarHBondContact O-CD 3.27Å; P238-R269 CarbonylContact C-O 3.6Å; P238-R269 WeakPolarHBondContact CA-O 3.35Å; P238-R272 HydrophobicContact CB-CG 3.87Å; P238-R272 HydrophobicContact CG-CG 3.97Å
239A95.6Very high86.5Confident0 Ų035.2 Ų35.20%020%0.199CC..BIsolated β-bridgetrans-126163.1174.600000110.2P134 I136 F217 T241 R269 A270 G271P134-A239 HydrophobicContact CG-CB 4.38Å; I136-A239 HydrophobicContact CB-CB 4.45Å; I136-A239 HydrophobicContact CD1-CB 3.52Å; I136-A239 HydrophobicContact CG1-CB 3.64Å; F217-A239 HydrophobicContact CZ-CB 3.98Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-R269 PolarHBondContact N-O 3.02Å; A239-A270 CarbonylContact O-C 3.5Å; A239-A270 VanDerWaalsContact O-CA 3.3Å; A239-A270 WeakPolarHBondContact O-CA 3.32Å; A239-G271 PolarHBondContact O-N 2.97Å
240R97Very high85.9Confident44 Ų4438.4 Ų38.417%0.16621%0.213CC..SBendtrans-69.6-39.2173-176.8170.2-175.8169.515.3111N131 P134 D276 I280N131-R240 PolarHBondContact O-NH1 2.98Å; P134-R240 PolarHBondContact O-N 3.44Å; R240-D276 WeakPolarHBondContact CA-OD2 3.46Å; R240-D276 WeakPolarHBondContact CD-OD1 3.47Å; R240-D276 HydrophobicContact CG-CB 4.46Å; R240-D276 WeakPolarHBondContact CG-OD1 2.92Å; R240-D276 IonicContact NE-OD1 3.13Å; R240-I280 PolarHBondContact O-N 2.92Å
241T98Very high85.1Confident0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-126.3142.8-176.2-550000112.1I127 F132 P134 V135 I136 A239 I280 I282I127-T241 HydrophobicContact CD1-CG2 3.95Å; F132-T241 WeakPolarHBondContact CB-OG1 3.27Å; F132-T241 WeakPolarHBondContact O-CB 3.43Å; F132-T241 PolarHBondContact O-OG1 2.9Å; P134-T241 PolarHBondContact O-N 2.94Å; P134-T241 VanDerWaalsContact O-N 3.12Å; V135-T241 CarbonylContact C-O 3.39Å; V135-T241 VanDerWaalsContact CA-O 3.28Å; V135-T241 WeakPolarHBondContact CA-O 3.39Å; V135-T241 HydrophobicContact CG2-CG2 3.98Å; I136-T241 PolarHBondContact N-O 3.36Å; A239-T241 VanDerWaalsContact C-N 3.34Å; T241-I280 CarbonylContact C-O 3.47Å; T241-I280 VanDerWaalsContact CA-O 3.23Å; T241-I280 WeakPolarHBondContact CA-O 3.43Å; T241-I280 HydrophobicContact CG2-CB 4.05Å; T241-I280 HydrophobicContact CG2-CG2 4.02Å; T241-I282 HydrophobicContact CG2-CD1 4.07Å
242V97.5Very high83.9Confident0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-118.3131.5167.6172.40000109.1I136 F138 F244 R269 A270 I280 V281 I282I136-V242 CarbonylContact O-C 3.55Å; I136-V242 WeakPolarHBondContact O-CA 3.41Å; F138-V242 HydrophobicContact CD2-CG1 3.62Å; F138-V242 HydrophobicContact CE2-CG1 3.8Å; V242-F244 HydrophobicContact CG1-CD2 4.09Å; V242-F244 HydrophobicContact CG1-CE2 3.65Å; V242-F244 HydrophobicContact CG1-CZ 4.24Å; V242-R269 HydrophobicContact CG2-CB 3.9Å; V242-A270 HydrophobicContact CB-CB 4.2Å; V242-A270 HydrophobicContact CG2-CB 3.77Å; V242-I280 PolarHBondContact N-O 2.88Å; V242-V281 CarbonylContact O-C 3.56Å; V242-V281 WeakPolarHBondContact O-CA 3.42Å; V242-I282 PolarHBondContact O-N 3.38Å
243L96.4Very high82.8Confident0 Ų048.5 Ų48.50%027%0.268CS..EExtended strand (participates in β ladder)trans-117.2126.1176.7174.162.1000109.6I123 V124 V135 I136 I137 F138 I282 M284I123-L243 HydrophobicContact CB-CD2 4.42Å; I123-L243 HydrophobicContact CD1-CD1 4.23Å; I123-L243 HydrophobicContact CG2-CD1 3.97Å; I123-L243 HydrophobicContact CG2-CD2 3.9Å; V124-L243 HydrophobicContact CG2-CD2 4.34Å; V135-L243 HydrophobicContact CG2-CB 4.23Å; I136-L243 PolarHBondContact O-N 2.89Å; I137-L243 CarbonylContact C-O 3.58Å; I137-L243 WeakPolarHBondContact CA-O 3.22Å; I137-L243 HydrophobicContact CB-CB 4.47Å; I137-L243 HydrophobicContact CB-CD2 4.5Å; I137-L243 HydrophobicContact CG1-CB 4.15Å; I137-L243 HydrophobicContact CG1-CD2 3.9Å; I137-L243 HydrophobicContact CG1-CG 4.47Å; I137-L243 HydrophobicContact CG2-CB 4.38Å; I137-L243 HydrophobicContact CG2-CD2 3.95Å; I137-L243 HydrophobicContact CG2-CG 4.15Å; F138-L243 PolarHBondContact N-O 2.9Å; L243-I282 CarbonylContact C-O 3.59Å; L243-I282 WeakPolarHBondContact CA-O 3.49Å; L243-I282 HydrophobicContact CD1-CB 3.75Å; L243-I282 HydrophobicContact CD1-CG2 3.53Å; L243-M284 HydrophobicContact CD1-CG 3.87Å; L243-M284 HydrophobicContact CD1-SD 4.1Å
244F94.4Very high82.3Confident1 Ų147.1 Ų47.10%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-97.8123.4170-66.7-101000109.2V242 I258 Y263 M266 V281 I282 F283 M284V242-F244 HydrophobicContact CG1-CD2 4.09Å; V242-F244 HydrophobicContact CG1-CE2 3.65Å; V242-F244 HydrophobicContact CG1-CZ 4.24Å; F244-I258 HydrophobicContact CD1-CD1 4.25Å; F244-I258 HydrophobicContact CE1-CD1 4.14Å; F244-Y263 HydrophobicContact CD2-CE2 4.35Å; F244-Y263 HydrophobicContact CE1-CD2 4.14Å; F244-Y263 HydrophobicContact CE2-CD2 4.08Å; F244-Y263 AromaticContact CE2-CE2 3.72Å; F244-Y263 HydrophobicContact CE2-CE2 3.72Å; F244-Y263 AromaticContact CZ-CD2 3.68Å; F244-Y263 HydrophobicContact CZ-CD2 3.68Å; F244-Y263 AromaticContact CZ-CE2 3.82Å; F244-Y263 HydrophobicContact CZ-CE2 3.82Å; F244-M266 HydrophobicContact CD1-CE 4.47Å; F244-M266 HydrophobicContact CD1-SD 4.36Å; F244-M266 HydrophobicContact CE1-CB 3.6Å; F244-M266 HydrophobicContact CE1-CE 3.68Å; F244-M266 HydrophobicContact CE1-CG 4.27Å; F244-M266 HydrophobicContact CE1-SD 3.69Å; F244-M266 HydrophobicContact CZ-CB 3.47Å; F244-M266 VanDerWaalsContact CZ-CB 3.47Å; F244-V281 HydrophobicContact CD2-CG1 4.06Å; F244-V281 HydrophobicContact CE2-CG1 3.65Å; F244-I282 PolarHBondContact N-O 2.77Å; F244-F283 HydrophobicContact CB-CD2 3.43Å; F244-F283 VanDerWaalsContact CB-CD2 3.43Å; F244-F283 HydrophobicContact CB-CE2 3.67Å; F244-F283 HydrophobicContact CB-CG 4.38Å; F244-F283 HydrophobicContact CD1-CD2 4.27Å; F244-F283 AromaticContact CD1-CE2 3.92Å; F244-F283 HydrophobicContact CD1-CE2 3.92Å; F244-F283 AromaticContact CD2-CD2 3.73Å; F244-F283 HydrophobicContact CD2-CD2 3.73Å; F244-F283 HydrophobicContact CD2-CE2 4.19Å; F244-F283 AromaticContact CG-CD2 3.56Å; F244-F283 HydrophobicContact CG-CD2 3.56Å; F244-F283 AromaticContact CG-CE2 3.67Å; F244-F283 HydrophobicContact CG-CE2 3.67Å; F244-M284 VanDerWaalsContact O-CB 3.27Å; F244-M284 WeakPolarHBondContact O-CB 3.44Å; F244-M284 WeakPolarHBondContact O-CG 3.32Å; F244-M284 PolarHBondContact O-N 3.14Å
245T90.8Very high82.7Confident15 Ų1548.2 Ų48.29%0.09225%0.252CS..SBendtrans-79-21.9178.961.10000113.3V120 I137 F138 Y148V120-T245 HydrophobicContact CG2-CG2 4.25Å; I137-T245 HydrophobicContact CG2-CG2 3.44Å; I137-T245 VanDerWaalsContact CG2-CG2 3.44Å; F138-T245 PolarHBondContact O-N 3.46Å; F138-T245 VanDerWaalsContact O-N 3.12Å; F138-T245 PolarHBondContact O-OG1 3.32Å; F138-T245 VanDerWaalsContact O-OG1 3.06Å; Y148-T245 HydrophobicContact CD2-CG2 4.02Å; Y148-T245 HydrophobicContact CE2-CG2 3.85Å
246S85.5Confident83.3Confident34 Ų3448.6 Ų48.624%0.23825%0.25CC..  trans-144145.1-179.4175.30000110.9F140 R248F140-S246 WeakPolarHBondContact CE2-O 3.18Å; S246-R248 PolarHBondContact OG-N 2.78Å; S246-R248 PolarHBondContact OG-O 2.87Å
247A82.5Confident83.8Confident3 Ų345.3 Ų45.33%0.02523%0.229CC..SBendtrans-82.9-16.2171.400000114.1F257 I258 F283 M289A247-F257 HydrophobicContact CB-CD1 4.25Å; A247-F257 HydrophobicContact CB-CE1 4.37Å; A247-I258 PolarHBondContact O-N 2.63Å; A247-I258 VanDerWaalsContact O-N 3.17Å; A247-F283 HydrophobicContact CB-CD1 4.27Å; A247-F283 HydrophobicContact CB-CE1 3.21Å; A247-F283 HydrophobicContact CB-CZ 3.52Å; A247-M289 HydrophobicContact CB-CE 4.18Å
248R82.4Confident83.9Confident34 Ų3444.9 Ų44.913%0.12823%0.227CC..EExtended strand (participates in β ladder)trans-120.6148.6-172.4-62.4-179.875.9170.43.9111.1F140 S246 H255 R256 F257 E287 E450F140-R248 WeakPolarHBondContact CD2-O 3.35Å; F140-R248 WeakPolarHBondContact CE2-O 3.46Å; S246-R248 PolarHBondContact OG-N 2.78Å; S246-R248 PolarHBondContact OG-O 2.87Å; R248-H255 PolarHBondContact NH2-O 2.8Å; R248-R256 CarbonylContact C-O 3.51Å; R248-R256 WeakPolarHBondContact CA-O 3.49Å; R248-R256 WeakPolarHBondContact CB-O 3.27Å; R248-F257 HydrophobicContact CG-CD1 3.7Å; R248-F257 HydrophobicContact CG-CE1 3.78Å; R248-F257 HydrophobicContact CG-CG 4.36Å; R248-F257 HydrophobicContact CG-CZ 4.5Å; R248-E287 VanDerWaalsContact CD-OE2 3.23Å; R248-E287 WeakPolarHBondContact CD-OE2 3.24Å; R248-E287 IonicContact CZ-OE2 3.62Å; R248-E287 IonicContact NE-OE2 3.89Å; R248-E287 IonicContact NH1-OE1 3.82Å; R248-E287 IonicContact NH1-OE2 2.69Å; R248-E287 PolarHBondContact NH1-OE2 2.97Å; R248-E450 IonicContact CZ-OE1 3.47Å; R248-E450 IonicContact NH1-OE1 2.83Å; R248-E450 PolarHBondContact NH1-OE1 3.03Å; R248-E450 IonicContact NH2-OE1 3.9Å
249K82.5Confident83.8Confident36 Ų3644.6 Ų44.616%0.15722%0.224CC..EExtended strand (participates in β ladder)trans-130.9143.5179.8176.7179.1167.9-171.60109F140 E229 H255 R256 I258 E262F140-K249 HydrophobicContact CB-CG 4.36Å; F140-K249 HydrophobicContact CD1-CB 4.26Å; F140-K249 HydrophobicContact CD1-CD 3.85Å; F140-K249 HydrophobicContact CD1-CG 4.03Å; F140-K249 HydrophobicContact CD2-CB 4.1Å; F140-K249 HydrophobicContact CE1-CB 4.46Å; F140-K249 HydrophobicContact CE1-CD 4.13Å; F140-K249 HydrophobicContact CE2-CB 4.29Å; F140-K249 HydrophobicContact CG-CB 4.1Å; F140-K249 HydrophobicContact CG-CD 4.38Å; F140-K249 HydrophobicContact CG-CG 4.04Å; F140-K249 HydrophobicContact CZ-CB 4.5Å; E229-K249 IonicContact OE1-NZ 3.89Å; E229-K249 PolarHBondContact OE1-NZ 3.33Å; E229-K249 VanDerWaalsContact OE2-CE 3.25Å; E229-K249 WeakPolarHBondContact OE2-CE 3.37Å; E229-K249 IonicContact OE2-NZ 3.71Å; E229-K249 PolarHBondContact OE2-NZ 3.49Å; K249-H255 WeakPolarHBondContact O-CA 3.37Å; K249-R256 PolarHBondContact N-O 2.72Å; K249-R256 PolarHBondContact O-N 2.76Å; K249-I258 HydrophobicContact CB-CG2 4.34Å; K249-E262 IonicContact NZ-OE1 3.94Å; K249-E262 PolarHBondContact NZ-OE1 2.81Å
250F74.3Confident83.5Confident105 Ų10544.8 Ų44.846%0.46123%0.226SC..EExtended strand (participates in β ladder)trans-86.6124.2170-173.7-115.1000109G252 K253 H255F250-G252 WeakPolarHBondContact CZ-O 3.24Å; F250-K253 WeakPolarHBondContact CE2-O 3.24Å; F250-H255 AromaticContact CD2-CD2 3.49Å; F250-H255 VanDerWaalsContact CD2-CD2 3.49Å; F250-H255 WeakPolarHBondContact CD2-CD2 3.26Å; F250-H255 AromaticContact CD2-NE2 3.63Å; F250-H255 AromaticContact CG-NE2 3.98Å
251D69.7Low83.1Confident80 Ų8043.4 Ų43.443%0.42823%0.225SC..  trans-94.78.7-179.865.68.2000113.7K253 N254 R256D251-K253 PolarHBondContact OD1-N 3.25Å; D251-N254 PolarHBondContact N-O 2.9Å; D251-N254 VanDerWaalsContact N-O 3.17Å; D251-N254 PolarHBondContact OD1-N 2.74Å; D251-N254 VanDerWaalsContact OD1-O 3.09Å; D251-R256 IonicContact OD2-NE 3.65Å
252G64.2Low82.7Confident52 Ų5244.4 Ų44.454%0.53623%0.23SC..SBendtrans98.7-16.9-173.700000113.6F250F250-G252 WeakPolarHBondContact CZ-O 3.24Å
253K62.5Low82.4Confident163 Ų16344.6 Ų44.671%0.70923%0.231SC*.SBendtrans-122.8-51.6176.6-64.3-176179-176.30111.6F250 D251F250-K253 WeakPolarHBondContact CE2-O 3.24Å; D251-K253 PolarHBondContact OD1-N 3.25Å
254N65.9Low82.2Confident100 Ų10047.2 Ų47.254%0.53524%0.244SC..  trans-131.8151.8-173.3-66-50.3000111.6D251 R256D251-N254 PolarHBondContact N-O 2.9Å; D251-N254 VanDerWaalsContact N-O 3.17Å; D251-N254 PolarHBondContact OD1-N 2.74Å; D251-N254 VanDerWaalsContact OD1-O 3.09Å; N254-R256 PolarHBondContact O-N 3.15Å
255H72.3Confident81.9Confident81 Ų8150.8 Ų50.838%0.37526%0.261SS..EExtended strand (participates in β ladder)trans-80.7108.8164.4-83.2-95.3000109.4R248 K249 F250R248-H255 PolarHBondContact NH2-O 2.8Å; K249-H255 WeakPolarHBondContact O-CA 3.37Å; F250-H255 AromaticContact CD2-CD2 3.49Å; F250-H255 VanDerWaalsContact CD2-CD2 3.49Å; F250-H255 WeakPolarHBondContact CD2-CD2 3.26Å; F250-H255 AromaticContact CD2-NE2 3.63Å; F250-H255 AromaticContact CG-NE2 3.98Å
256R82.9Confident82Confident74 Ų7450 Ų5028%0.27926%0.256SS..EExtended strand (participates in β ladder)trans-113.1161.2176.563164.4-178.778.4-1.8111.4R248 K249 D251 N254 E262R248-R256 CarbonylContact C-O 3.51Å; R248-R256 WeakPolarHBondContact CA-O 3.49Å; R248-R256 WeakPolarHBondContact CB-O 3.27Å; K249-R256 PolarHBondContact N-O 2.72Å; K249-R256 PolarHBondContact O-N 2.76Å; D251-R256 IonicContact OD2-NE 3.65Å; N254-R256 PolarHBondContact O-N 3.15Å; R256-E262 IonicContact CZ-OE1 3.62Å; R256-E262 IonicContact CZ-OE2 3.71Å; R256-E262 IonicContact NH1-OE1 3.58Å; R256-E262 IonicContact NH1-OE2 3.92Å; R256-E262 PolarHBondContact NH1-OE2 3.22Å; R256-E262 IonicContact NH2-OE1 3.86Å; R256-E262 PolarHBondContact NH2-OE1 3.18Å; R256-E262 IonicContact NH2-OE2 2.72Å; R256-E262 PolarHBondContact NH2-OE2 2.73Å
257F86.1Confident82.4Confident65 Ų6548.6 Ų48.629%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-64150.6165.5-69-71.8000110.2A247 R248 M289 V293A247-F257 HydrophobicContact CB-CD1 4.25Å; A247-F257 HydrophobicContact CB-CE1 4.37Å; R248-F257 HydrophobicContact CG-CD1 3.7Å; R248-F257 HydrophobicContact CG-CE1 3.78Å; R248-F257 HydrophobicContact CG-CG 4.36Å; R248-F257 HydrophobicContact CG-CZ 4.5Å; F257-M289 HydrophobicContact CD1-CE 3.86Å; F257-M289 HydrophobicContact CE1-CE 3.64Å; F257-M289 HydrophobicContact CZ-CE 4.47Å; F257-V293 HydrophobicContact CD2-CG1 3.85Å; F257-V293 HydrophobicContact CE2-CG1 4Å; F257-V293 HydrophobicContact CG-CG1 4.16Å; F257-V293 HydrophobicContact CZ-CG1 4.44Å
258I89.3Confident82.8Confident6 Ų649.6 Ų49.63%0.03126%0.257CS..PPolyproline II helixtrans-60143.2169.558.8176.1000110.5F140 F244 A247 K249 E262 Y263 F283 L297F140-I258 HydrophobicContact CE1-CG2 4.13Å; F140-I258 HydrophobicContact CE2-CG2 4.1Å; F140-I258 HydrophobicContact CZ-CG2 3.48Å; F140-I258 VanDerWaalsContact CZ-CG2 3.48Å; F244-I258 HydrophobicContact CD1-CD1 4.25Å; F244-I258 HydrophobicContact CE1-CD1 4.14Å; A247-I258 PolarHBondContact O-N 2.63Å; A247-I258 VanDerWaalsContact O-N 3.17Å; K249-I258 HydrophobicContact CB-CG2 4.34Å; I258-E262 WeakPolarHBondContact CA-OE2 3.49Å; I258-E262 HydrophobicContact CB-CB 4.43Å; I258-Y263 HydrophobicContact CD1-CD2 3.83Å; I258-Y263 HydrophobicContact CD1-CG 4.44Å; I258-F283 HydrophobicContact CD1-CE2 3.59Å; I258-F283 HydrophobicContact CD1-CZ 3.75Å; I258-F283 HydrophobicContact CG1-CZ 4.31Å; I258-L297 HydrophobicContact CD1-CD1 4.24Å; I258-L297 HydrophobicContact CD1-CD2 4.34Å; I258-L297 HydrophobicContact CD1-CG 4.4Å; I258-L297 HydrophobicContact CG1-CD1 3.67Å; I258-L297 HydrophobicContact CG1-CG 4.04Å
259T89.3Confident83.3Confident43 Ų4349.5 Ų49.526%0.26426%0.256SS..PPolyproline II helixtrans-73.8161175.473.70000110.4G261 E262 Y263 D303T259-G261 PolarHBondContact O-N 2.94Å; T259-G261 PolarHBondContact OG1-N 3.29Å; T259-E262 PolarHBondContact N-OE2 3.13Å; T259-E262 PolarHBondContact O-N 3.07Å; T259-E262 WeakPolarHBondContact OG1-CG 3.37Å; T259-E262 PolarHBondContact OG1-N 3.22Å; T259-E262 VanDerWaalsContact OG1-N 3.13Å; T259-Y263 WeakPolarHBondContact O-CB 3.47Å; T259-Y263 PolarHBondContact O-N 2.89Å; T259-D303 PolarHBondContact OG1-OD2 3.26Å
260S90.3Very high84Confident5 Ų547.8 Ų47.84%0.03525%0.249CC..Hα-helixtrans-59-36.9173.7-47.20000111.2Y263 I264 Q296 S301S260-Y263 PolarHBondContact O-N 3.26Å; S260-I264 WeakPolarHBondContact O-CB 3.41Å; S260-I264 WeakPolarHBondContact O-CD1 3.46Å; S260-I264 WeakPolarHBondContact O-CG1 3.41Å; S260-I264 PolarHBondContact O-N 2.75Å; S260-Q296 PolarHBondContact OG-NE2 3.03Å; S260-Q296 PolarHBondContact OG-O 3.16Å; S260-S301 VanDerWaalsContact CB-O 3.24Å; S260-S301 WeakPolarHBondContact CB-O 3.44Å
261G87.8Confident84.9Confident15 Ų1543.3 Ų43.316%0.15523%0.232CC..Hα-helixtrans-64.5-49.3174.500000113.6T259 Y263 I264 Q265 D303T259-G261 PolarHBondContact O-N 2.94Å; T259-G261 PolarHBondContact OG1-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.49Å; G261-I264 PolarHBondContact O-N 2.92Å; G261-Q265 PolarHBondContact O-N 3.34Å; G261-D303 WeakPolarHBondContact CA-OD2 3.25Å; G261-D303 PolarHBondContact N-OD2 2.94Å
262E89.8Confident86.1Confident21 Ų2142.1 Ų42.110%0.09822%0.222CC..Hα-helixtrans-56.6-43174.5-72172.6147.400110.5K249 R256 I258 T259 Q265 M266K249-E262 IonicContact NZ-OE1 3.94Å; K249-E262 PolarHBondContact NZ-OE1 2.81Å; R256-E262 IonicContact CZ-OE1 3.62Å; R256-E262 IonicContact CZ-OE2 3.71Å; R256-E262 IonicContact NH1-OE1 3.58Å; R256-E262 IonicContact NH1-OE2 3.92Å; R256-E262 PolarHBondContact NH1-OE2 3.22Å; R256-E262 IonicContact NH2-OE1 3.86Å; R256-E262 PolarHBondContact NH2-OE1 3.18Å; R256-E262 IonicContact NH2-OE2 2.72Å; R256-E262 PolarHBondContact NH2-OE2 2.73Å; I258-E262 WeakPolarHBondContact CA-OE2 3.49Å; I258-E262 HydrophobicContact CB-CB 4.43Å; T259-E262 PolarHBondContact N-OE2 3.13Å; T259-E262 PolarHBondContact O-N 3.07Å; T259-E262 WeakPolarHBondContact OG1-CG 3.37Å; T259-E262 PolarHBondContact OG1-N 3.22Å; T259-E262 VanDerWaalsContact OG1-N 3.13Å; E262-Q265 PolarHBondContact O-N 3.3Å; E262-M266 HydrophobicContact CB-CE 4.08Å; E262-M266 VanDerWaalsContact O-CE 3.23Å; E262-M266 WeakPolarHBondContact O-CE 3.5Å; E262-M266 PolarHBondContact O-N 3.24Å; E262-M266 VanDerWaalsContact O-N 3.17Å
263Y92.1Very high87.4Confident3 Ų349.4 Ų49.41%0.01223%0.233CC..Hα-helixtrans-62.6-50177.4-179.4-106000112.7H59 F244 I258 T259 S260 G261 Q265 M266 S267 V281 F283 L297 L298H59-Y263 AromaticContact ND1-CE1 3.91Å; H59-Y263 AromaticContact ND1-CZ 3.69Å; H59-Y263 PolarHBondContact ND1-OH 3.29Å; F244-Y263 HydrophobicContact CD2-CE2 4.35Å; F244-Y263 HydrophobicContact CE1-CD2 4.14Å; F244-Y263 HydrophobicContact CE2-CD2 4.08Å; F244-Y263 AromaticContact CE2-CE2 3.72Å; F244-Y263 HydrophobicContact CE2-CE2 3.72Å; F244-Y263 AromaticContact CZ-CD2 3.68Å; F244-Y263 HydrophobicContact CZ-CD2 3.68Å; F244-Y263 AromaticContact CZ-CE2 3.82Å; F244-Y263 HydrophobicContact CZ-CE2 3.82Å; I258-Y263 HydrophobicContact CD1-CD2 3.83Å; I258-Y263 HydrophobicContact CD1-CG 4.44Å; T259-Y263 WeakPolarHBondContact O-CB 3.47Å; T259-Y263 PolarHBondContact O-N 2.89Å; S260-Y263 PolarHBondContact O-N 3.26Å; G261-Y263 PolarHBondContact O-N 3.49Å; Y263-Q265 VanDerWaalsContact C-N 3.28Å; Y263-Q265 PolarHBondContact O-N 3.45Å; Y263-M266 PolarHBondContact O-N 3.25Å; Y263-S267 WeakPolarHBondContact O-CB 3.33Å; Y263-S267 PolarHBondContact O-N 3.09Å; Y263-S267 PolarHBondContact O-OG 3.33Å; Y263-V281 HydrophobicContact CE2-CG1 4.25Å; Y263-V281 WeakPolarHBondContact OH-CG1 3.48Å; Y263-F283 HydrophobicContact CD2-CE2 4.4Å; Y263-F283 HydrophobicContact CE2-CD2 4.24Å; Y263-F283 HydrophobicContact CE2-CE2 4.3Å; Y263-L297 HydrophobicContact CD1-CD2 4.47Å; Y263-L297 WeakPolarHBondContact CD1-O 3.32Å; Y263-L297 HydrophobicContact CD2-CD2 3.77Å; Y263-L297 HydrophobicContact CE2-CD2 4.01Å; Y263-L297 HydrophobicContact CG-CD2 4Å; Y263-L298 HydrophobicContact CE1-CD2 3.98Å; Y263-L298 HydrophobicContact CE2-CD2 4.06Å; Y263-L298 WeakPolarHBondContact OH-CD2 3.24Å
264I90.8Very high88.8Confident55 Ų5545.6 Ų45.628%0.28224%0.24SC..Hα-helixtrans-60.5-39.6-179.9-72.3163.2000110.7S260 G261 S267 G268 A302S260-I264 WeakPolarHBondContact O-CB 3.41Å; S260-I264 WeakPolarHBondContact O-CD1 3.46Å; S260-I264 WeakPolarHBondContact O-CG1 3.41Å; S260-I264 PolarHBondContact O-N 2.75Å; G261-I264 PolarHBondContact O-N 2.92Å; I264-S267 WeakPolarHBondContact CA-OG 3.21Å; I264-S267 PolarHBondContact O-OG 3.43Å; I264-G268 WeakPolarHBondContact O-CA 3.5Å; I264-G268 PolarHBondContact O-N 3.37Å; I264-A302 HydrophobicContact CD1-CB 4.05Å
265Q89Confident90Very high76 Ų7647.3 Ų47.336%0.35525%0.247SC..Hα-helixtrans-64-46.9178.9-172.717627.900112.3A232 G261 E262 Y263A232-Q265 HydrophobicContact CB-CG 4.1Å; A232-Q265 PolarHBondContact O-NE2 2.83Å; G261-Q265 PolarHBondContact O-N 3.34Å; E262-Q265 PolarHBondContact O-N 3.3Å; Y263-Q265 VanDerWaalsContact C-N 3.28Å; Y263-Q265 PolarHBondContact O-N 3.45Å
266M93.1Very high91Very high0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-74-49.7-179.5-75.3-177.2-8200112.2F138 F140 E229 A232 F244 E262 Y263 G268 R269F138-M266 HydrophobicContact CB-SD 4.09Å; F138-M266 HydrophobicContact CD1-CG 4.31Å; F138-M266 HydrophobicContact CD1-SD 4.13Å; F138-M266 HydrophobicContact CD2-CB 3.82Å; F138-M266 HydrophobicContact CD2-CG 4.02Å; F138-M266 HydrophobicContact CD2-SD 4.15Å; F138-M266 HydrophobicContact CE1-CG 4.27Å; F138-M266 HydrophobicContact CE2-CB 3.72Å; F138-M266 HydrophobicContact CE2-CG 3.98Å; F138-M266 HydrophobicContact CG-CB 4.46Å; F138-M266 HydrophobicContact CG-CG 4.19Å; F138-M266 HydrophobicContact CG-SD 3.86Å; F138-M266 HydrophobicContact CZ-CB 4.28Å; F138-M266 HydrophobicContact CZ-CG 4.11Å; F140-M266 HydrophobicContact CE1-CE 3.99Å; F140-M266 HydrophobicContact CE1-SD 4.21Å; F140-M266 HydrophobicContact CZ-CE 4.31Å; E229-M266 HydrophobicContact CG-SD 4.42Å; A232-M266 HydrophobicContact CB-CG 3.81Å; F244-M266 HydrophobicContact CD1-CE 4.47Å; F244-M266 HydrophobicContact CD1-SD 4.36Å; F244-M266 HydrophobicContact CE1-CB 3.6Å; F244-M266 HydrophobicContact CE1-CE 3.68Å; F244-M266 HydrophobicContact CE1-CG 4.27Å; F244-M266 HydrophobicContact CE1-SD 3.69Å; F244-M266 HydrophobicContact CZ-CB 3.47Å; F244-M266 VanDerWaalsContact CZ-CB 3.47Å; E262-M266 HydrophobicContact CB-CE 4.08Å; E262-M266 VanDerWaalsContact O-CE 3.23Å; E262-M266 WeakPolarHBondContact O-CE 3.5Å; E262-M266 PolarHBondContact O-N 3.24Å; E262-M266 VanDerWaalsContact O-N 3.17Å; Y263-M266 PolarHBondContact O-N 3.25Å; M266-G268 PolarHBondContact O-N 3.17Å; M266-R269 WeakPolarHBondContact O-CB 3.2Å; M266-R269 WeakPolarHBondContact O-CG 3.23Å; M266-R269 PolarHBondContact O-N 3.48Å; M266-R269 VanDerWaalsContact O-N 3.16Å
267S93.8Very high91.5Very high4 Ų446.6 Ų46.63%0.02825%0.251CS..Hα-helixtrans-63.5-27.2178.2640000112.1Y263 I264 R269 A270Y263-S267 WeakPolarHBondContact O-CB 3.33Å; Y263-S267 PolarHBondContact O-N 3.09Å; Y263-S267 PolarHBondContact O-OG 3.33Å; I264-S267 WeakPolarHBondContact CA-OG 3.21Å; I264-S267 PolarHBondContact O-OG 3.43Å; S267-R269 PolarHBondContact O-N 2.68Å; S267-R269 VanDerWaalsContact O-N 3.1Å; S267-A270 WeakPolarHBondContact O-CB 3.3Å; S267-A270 PolarHBondContact O-N 2.81Å
268G91.2Very high91.9Very high23 Ų2347.9 Ų47.924%0.23725%0.254CS..THydrogen-bonded Turntrans-64.2-13.8177.300000114.8R53 I264 M266 A270R53-G268 PolarHBondContact NH1-O 2.82Å; I264-G268 WeakPolarHBondContact O-CA 3.5Å; I264-G268 PolarHBondContact O-N 3.37Å; M266-G268 PolarHBondContact O-N 3.17Å; G268-A270 VanDerWaalsContact C-N 3.25Å
269R93.5Very high92.2Very high33 Ų3347.6 Ų47.613%0.12525%0.253CS..THydrogen-bonded Turntrans-73.7-13.1170.9-57-58.5-178.8174.38.6113.5I136 F138 A232 I235 N236 P238 A239 V242 M266 S267I136-R269 HydrophobicContact CD1-CB 3.96Å; F138-R269 HydrophobicContact CZ-CG 4.33Å; A232-R269 PolarHBondContact O-NE 3.48Å; A232-R269 PolarHBondContact O-NH2 3.48Å; I235-R269 VanDerWaalsContact O-CZ 3.25Å; I235-R269 PolarHBondContact O-NH1 3.13Å; I235-R269 VanDerWaalsContact O-NH1 3.08Å; I235-R269 PolarHBondContact O-NH2 2.87Å; N236-R269 PolarHBondContact OD1-NH1 3.45Å; P238-R269 CarbonylContact C-O 3.6Å; P238-R269 WeakPolarHBondContact CA-O 3.35Å; A239-R269 PolarHBondContact N-O 3.02Å; V242-R269 HydrophobicContact CG2-CB 3.9Å; M266-R269 WeakPolarHBondContact O-CB 3.2Å; M266-R269 WeakPolarHBondContact O-CG 3.23Å; M266-R269 PolarHBondContact O-N 3.48Å; M266-R269 VanDerWaalsContact O-N 3.16Å; S267-R269 PolarHBondContact O-N 2.68Å; S267-R269 VanDerWaalsContact O-N 3.1Å
270A95.6Very high92.6Very high0 Ų045.6 Ų45.60%024%0.24CC..BIsolated β-bridgetrans-79.9141.1174.900000111.6R53 L57 A239 V242 S267 G268 V281R53-A270 PolarHBondContact NH1-O 3.25Å; L57-A270 HydrophobicContact CD2-CB 3.83Å; L57-A270 WeakPolarHBondContact CD2-O 3.33Å; A239-A270 CarbonylContact O-C 3.5Å; A239-A270 VanDerWaalsContact O-CA 3.3Å; A239-A270 WeakPolarHBondContact O-CA 3.32Å; V242-A270 HydrophobicContact CB-CB 4.2Å; V242-A270 HydrophobicContact CG2-CB 3.77Å; S267-A270 WeakPolarHBondContact O-CB 3.3Å; S267-A270 PolarHBondContact O-N 2.81Å; G268-A270 VanDerWaalsContact C-N 3.25Å; A270-V281 HydrophobicContact CB-CG2 3.9Å
271G94.8Very high93Very high11 Ų1145.4 Ų45.411%0.11324%0.239CC..  trans86.4113.5179.100000113A239A239-G271 PolarHBondContact O-N 2.97Å
272R93.8Very high93.3Very high54 Ų5444.7 Ų44.720%0.20423%0.231CC..  trans-97.3122175.7-60170.5-65.9169.93.8110.2P134 P238 G274 M275 D276P134-R272 VanDerWaalsContact CD-CZ 3.46Å; P134-R272 VanDerWaalsContact CD-NH1 3.29Å; P238-R272 HydrophobicContact CB-CG 3.87Å; P238-R272 HydrophobicContact CG-CG 3.97Å; R272-G274 PolarHBondContact O-N 2.85Å; R272-M275 HydrophobicContact CB-CB 3.99Å; R272-M275 HydrophobicContact CB-CG 4.38Å; R272-M275 HydrophobicContact CB-SD 4.19Å; R272-M275 PolarHBondContact O-N 3.3Å; R272-M275 VanDerWaalsContact O-N 3.1Å; R272-D276 WeakPolarHBondContact CB-OD2 3.27Å; R272-D276 VanDerWaalsContact CG-OD2 3.31Å; R272-D276 WeakPolarHBondContact CG-OD2 3.33Å; R272-D276 IonicContact CZ-OD1 2.65Å; R272-D276 IonicContact CZ-OD2 3.09Å; R272-D276 PolarHBondContact N-OD2 3Å; R272-D276 IonicContact NE-OD1 2.92Å; R272-D276 PolarHBondContact NE-OD1 3.04Å; R272-D276 IonicContact NE-OD2 3.13Å; R272-D276 PolarHBondContact NE-OD2 3.1Å; R272-D276 IonicContact NH2-OD1 3.1Å; R272-D276 PolarHBondContact NH2-OD1 2.65Å; R272-D276 IonicContact NH2-OD2 2.69Å; R272-D276 PolarHBondContact O-N 3.48Å
273R91.8Very high93.4Very high205 Ų20543.8 Ų43.877%0.77423%0.227SC*.THydrogen-bonded Turntrans-58.4125.5179.2-175.9178.5177.9179.3-0.9110.4P54 M275P54-R273 HydrophobicContact CB-CG 4.23Å; R273-M275 PolarHBondContact O-N 3.46Å
274G90.8Very high93.2Very high83 Ų8344.6 Ų44.686%0.85623%0.231SC*.THydrogen-bonded Turntrans78.9-2.2178.200000115.3R272R272-G274 PolarHBondContact O-N 2.85Å
275M91.1Very high92.8Very high137 Ų13742.1 Ų42.168%0.67522%0.219SC*.THydrogen-bonded Turntrans-118.5-35176.8-56.3179.1-176.600112.7R272 R273R272-M275 HydrophobicContact CB-CB 3.99Å; R272-M275 HydrophobicContact CB-CG 4.38Å; R272-M275 HydrophobicContact CB-SD 4.19Å; R272-M275 PolarHBondContact O-N 3.3Å; R272-M275 VanDerWaalsContact O-N 3.1Å; R273-M275 PolarHBondContact O-N 3.46Å
276D94.6Very high92.1Very high11 Ų1141.7 Ų41.76%0.05922%0.219CC..  trans-114.9134.1-177.5-55.7-45.8000111T55 R240 R272 R278T55-D276 HydrophobicContact CG2-CB 4.34Å; T55-D276 WeakPolarHBondContact CG2-O 3.38Å; R240-D276 WeakPolarHBondContact CA-OD2 3.46Å; R240-D276 WeakPolarHBondContact CD-OD1 3.47Å; R240-D276 HydrophobicContact CG-CB 4.46Å; R240-D276 WeakPolarHBondContact CG-OD1 2.92Å; R240-D276 IonicContact NE-OD1 3.13Å; R272-D276 WeakPolarHBondContact CB-OD2 3.27Å; R272-D276 VanDerWaalsContact CG-OD2 3.31Å; R272-D276 WeakPolarHBondContact CG-OD2 3.33Å; R272-D276 IonicContact CZ-OD1 2.65Å; R272-D276 IonicContact CZ-OD2 3.09Å; R272-D276 PolarHBondContact N-OD2 3Å; R272-D276 IonicContact NE-OD1 2.92Å; R272-D276 PolarHBondContact NE-OD1 3.04Å; R272-D276 IonicContact NE-OD2 3.13Å; R272-D276 PolarHBondContact NE-OD2 3.1Å; R272-D276 IonicContact NH2-OD1 3.1Å; R272-D276 PolarHBondContact NH2-OD1 2.65Å; R272-D276 IonicContact NH2-OD2 2.69Å; R272-D276 PolarHBondContact O-N 3.48Å; D276-R278 VanDerWaalsContact C-N 3.28Å
277D93.3Very high91Very high129 Ų12943.2 Ų43.269%0.6923%0.226SC*.SBendtrans-66.4-34.5172.2-55.9-41.2000111.7P56P56-D277 WeakPolarHBondContact CD-O 3.38Å
278R94.1Very high90Very high92 Ų9249.4 Ų49.435%0.34725%0.253SS..SBendtrans-153.7144.6-177.850.4177.5178.1-93.6-7.2111.1P56 Q58 E75 D276P56-R278 HydrophobicContact CG-CB 4.44Å; P56-R278 CarbonylContact O-C 3.48Å; P56-R278 WeakPolarHBondContact O-CA 3.25Å; Q58-R278 VanDerWaalsContact CD-CD 3.46Å; E75-R278 WeakPolarHBondContact OE1-CD 3.43Å; E75-R278 IonicContact OE1-NH1 2.71Å; D276-R278 VanDerWaalsContact C-N 3.28Å
279G96.9Very high89.4Confident0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-87.9138.9171.200000110.9P56 L57 Q58P56-G279 PolarHBondContact O-N 3.25Å; L57-G279 WeakPolarHBondContact CA-O 3.44Å; Q58-G279 PolarHBondContact N-O 2.89Å
280I97.5Very high88.8Confident1 Ų150.2 Ų50.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-108128.7-178.9-60.3173.5000108.7Y60 F132 R240 T241 V242 I282Y60-I280 HydrophobicContact CD2-CG2 3.93Å; Y60-I280 HydrophobicContact CE2-CG2 4.05Å; F132-I280 HydrophobicContact CB-CD1 4.2Å; F132-I280 HydrophobicContact CD1-CD1 3.44Å; F132-I280 VanDerWaalsContact CD1-CD1 3.44Å; F132-I280 HydrophobicContact CD2-CD1 3.55Å; F132-I280 HydrophobicContact CE1-CD1 3.52Å; F132-I280 HydrophobicContact CE2-CD1 3.63Å; F132-I280 HydrophobicContact CG-CD1 3.46Å; F132-I280 VanDerWaalsContact CG-CD1 3.46Å; F132-I280 HydrophobicContact CZ-CD1 3.61Å; R240-I280 PolarHBondContact O-N 2.92Å; T241-I280 CarbonylContact C-O 3.47Å; T241-I280 VanDerWaalsContact CA-O 3.23Å; T241-I280 WeakPolarHBondContact CA-O 3.43Å; T241-I280 HydrophobicContact CG2-CB 4.05Å; T241-I280 HydrophobicContact CG2-CG2 4.02Å; V242-I280 PolarHBondContact N-O 2.88Å; I280-I282 HydrophobicContact CG2-CD1 4.18Å; I280-I282 HydrophobicContact CG2-CG1 3.94Å
281V97.3Very high88.2Confident0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-118.6122.1175.2-174.10000108.3L57 Q58 H59 Y60 V242 F244 Y263 A270L57-V281 HydrophobicContact CD1-CG2 4.31Å; L57-V281 HydrophobicContact CD2-CG2 4.48Å; Q58-V281 PolarHBondContact O-N 3.22Å; H59-V281 CarbonylContact C-O 3.52Å; H59-V281 WeakPolarHBondContact CA-O 3.39Å; Y60-V281 PolarHBondContact N-O 3.46Å; V242-V281 CarbonylContact O-C 3.56Å; V242-V281 WeakPolarHBondContact O-CA 3.42Å; F244-V281 HydrophobicContact CD2-CG1 4.06Å; F244-V281 HydrophobicContact CE2-CG1 3.65Å; Y263-V281 HydrophobicContact CE2-CG1 4.25Å; Y263-V281 WeakPolarHBondContact OH-CG1 3.48Å; A270-V281 HydrophobicContact CB-CG2 3.9Å
282I95.4Very high87.8Confident0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-115.8130.7-179.7-60.8167.2000108.8Y60 F62 L69 I123 M126 I127 T241 V242 L243 F244 I280Y60-I282 CarbonylContact O-C 3.53Å; Y60-I282 WeakPolarHBondContact O-CA 3.38Å; F62-I282 HydrophobicContact CB-CG2 4.21Å; L69-I282 HydrophobicContact CD1-CD1 4.05Å; L69-I282 HydrophobicContact CD1-CG1 4.38Å; L69-I282 HydrophobicContact CD2-CB 4.43Å; L69-I282 HydrophobicContact CD2-CD1 4.21Å; L69-I282 HydrophobicContact CD2-CG1 4.07Å; L69-I282 HydrophobicContact CD2-CG2 3.53Å; I123-I282 HydrophobicContact CG2-CD1 4.14Å; I123-I282 HydrophobicContact CG2-CG2 4.35Å; M126-I282 HydrophobicContact CE-CD1 4.3Å; I127-I282 HydrophobicContact CD1-CD1 3.89Å; I127-I282 HydrophobicContact CG1-CD1 4.09Å; T241-I282 HydrophobicContact CG2-CD1 4.07Å; V242-I282 PolarHBondContact O-N 3.38Å; L243-I282 CarbonylContact C-O 3.59Å; L243-I282 WeakPolarHBondContact CA-O 3.49Å; L243-I282 HydrophobicContact CD1-CB 3.75Å; L243-I282 HydrophobicContact CD1-CG2 3.53Å; F244-I282 PolarHBondContact N-O 2.77Å; I280-I282 HydrophobicContact CG2-CD1 4.18Å; I280-I282 HydrophobicContact CG2-CG1 3.94Å
283F90.9Very high87.4Confident3 Ų355 Ų551%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-116.8112.7-177.8-152.6-111.3000110.2Y60 I61 F62 F244 A247 I258 Y263 V285 M289 L297Y60-F283 PolarHBondContact O-N 2.98Å; I61-F283 WeakPolarHBondContact CA-O 3.33Å; I61-F283 HydrophobicContact CG1-CB 4.33Å; F62-F283 PolarHBondContact N-O 3.09Å; F244-F283 HydrophobicContact CB-CD2 3.43Å; F244-F283 VanDerWaalsContact CB-CD2 3.43Å; F244-F283 HydrophobicContact CB-CE2 3.67Å; F244-F283 HydrophobicContact CB-CG 4.38Å; F244-F283 HydrophobicContact CD1-CD2 4.27Å; F244-F283 AromaticContact CD1-CE2 3.92Å; F244-F283 HydrophobicContact CD1-CE2 3.92Å; F244-F283 AromaticContact CD2-CD2 3.73Å; F244-F283 HydrophobicContact CD2-CD2 3.73Å; F244-F283 HydrophobicContact CD2-CE2 4.19Å; F244-F283 AromaticContact CG-CD2 3.56Å; F244-F283 HydrophobicContact CG-CD2 3.56Å; F244-F283 AromaticContact CG-CE2 3.67Å; F244-F283 HydrophobicContact CG-CE2 3.67Å; A247-F283 HydrophobicContact CB-CD1 4.27Å; A247-F283 HydrophobicContact CB-CE1 3.21Å; A247-F283 HydrophobicContact CB-CZ 3.52Å; I258-F283 HydrophobicContact CD1-CE2 3.59Å; I258-F283 HydrophobicContact CD1-CZ 3.75Å; I258-F283 HydrophobicContact CG1-CZ 4.31Å; Y263-F283 HydrophobicContact CD2-CE2 4.4Å; Y263-F283 HydrophobicContact CE2-CD2 4.24Å; Y263-F283 HydrophobicContact CE2-CE2 4.3Å; F283-V285 HydrophobicContact CD1-CG2 3.45Å; F283-V285 VanDerWaalsContact CD1-CG2 3.45Å; F283-V285 HydrophobicContact CE1-CG2 4.04Å; F283-V285 HydrophobicContact CG-CG2 4.49Å; F283-M289 HydrophobicContact CE1-CE 4.28Å; F283-L297 HydrophobicContact CE1-CD1 4.13Å; F283-L297 HydrophobicContact CE1-CD2 4.4Å; F283-L297 HydrophobicContact CE2-CD2 4.28Å; F283-L297 HydrophobicContact CZ-CD1 3.8Å; F283-L297 HydrophobicContact CZ-CD2 4Å
284M88.7Confident87.1Confident20 Ų2045.2 Ų45.210%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-78.8125.2172.8-64.9179.258.400109.5F62 S119 V120 I123 L243 F244F62-M284 HydrophobicContact CB-CG 4.5Å; F62-M284 WeakPolarHBondContact O-CA 3.47Å; S119-M284 VanDerWaalsContact CB-CE 3.48Å; V120-M284 HydrophobicContact CG2-CE 3.72Å; V120-M284 HydrophobicContact CG2-SD 3.64Å; I123-M284 HydrophobicContact CD1-CE 4.13Å; I123-M284 HydrophobicContact CD1-CG 3.52Å; I123-M284 HydrophobicContact CD1-SD 3.51Å; I123-M284 VanDerWaalsContact CD1-SD 3.51Å; L243-M284 HydrophobicContact CD1-CG 3.87Å; L243-M284 HydrophobicContact CD1-SD 4.1Å; F244-M284 VanDerWaalsContact O-CB 3.27Å; F244-M284 WeakPolarHBondContact O-CB 3.44Å; F244-M284 WeakPolarHBondContact O-CG 3.32Å; F244-M284 PolarHBondContact O-N 3.14Å
285V81.9Confident87.1Confident3 Ų346.7 Ų46.72%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-123.6121.1-179.6-176.40000109.2I61 F62 P63 A64 M88 L91 F283 E287I61-V285 HydrophobicContact CD1-CG2 4.5Å; I61-V285 HydrophobicContact CG2-CB 4.21Å; I61-V285 HydrophobicContact CG2-CG2 3.79Å; F62-V285 PolarHBondContact O-N 2.99Å; P63-V285 CarbonylContact C-O 3.6Å; A64-V285 WeakPolarHBondContact CB-O 3.41Å; A64-V285 PolarHBondContact N-O 3.06Å; M88-V285 HydrophobicContact CE-CG1 4.09Å; L91-V285 HydrophobicContact CD1-CB 4.43Å; L91-V285 HydrophobicContact CD1-CG1 3.88Å; F283-V285 HydrophobicContact CD1-CG2 3.45Å; F283-V285 VanDerWaalsContact CD1-CG2 3.45Å; F283-V285 HydrophobicContact CE1-CG2 4.04Å; F283-V285 HydrophobicContact CG-CG2 4.49Å; V285-E287 WeakPolarHBondContact CG1-O 3.48Å
286D74Confident86.9Confident67 Ų6745.6 Ų45.636%0.35824%0.238SC..  trans-110.30.4179.773.7-46.1000113.3A64 K453A64-D286 HydrophobicContact CB-CB 3.91Å; D286-K453 PolarHBondContact O-NZ 3.5Å; D286-K453 IonicContact OD2-NZ 2.78Å; D286-K453 PolarHBondContact OD2-NZ 3.42Å
287E69.8Low86.7Confident31 Ų3145.3 Ų45.315%0.14524%0.237CC..SBendtrans-138.1151.2-177.6-67.5-176.4166.600111.4R248 V285 M289R248-E287 VanDerWaalsContact CD-OE2 3.23Å; R248-E287 WeakPolarHBondContact CD-OE2 3.24Å; R248-E287 IonicContact CZ-OE2 3.62Å; R248-E287 IonicContact NE-OE2 3.89Å; R248-E287 IonicContact NH1-OE1 3.82Å; R248-E287 IonicContact NH1-OE2 2.69Å; R248-E287 PolarHBondContact NH1-OE2 2.97Å; V285-E287 WeakPolarHBondContact CG1-O 3.48Å; E287-M289 PolarHBondContact O-N 2.81Å
288K73.8Confident86.5Confident135 Ų13540 Ų4059%0.58721%0.208SC*.  trans-67.6137.1178.9-67.8-177.8-179.8177.40110.4
289M77.6Confident86.2Confident13 Ų1340.3 Ų40.36%0.06421%0.212CC..  trans-125136.2176-174-173.8-67.100108.9F84 M88 A247 F257 F283 E287 V293 G294 L297F84-M289 WeakPolarHBondContact CE1-O 3.44Å; F84-M289 HydrophobicContact CE2-SD 4.21Å; F84-M289 HydrophobicContact CZ-CB 4.03Å; F84-M289 HydrophobicContact CZ-CG 4.07Å; F84-M289 HydrophobicContact CZ-SD 4.06Å; M88-M289 HydrophobicContact CE-CB 4.17Å; M88-M289 HydrophobicContact SD-CB 4.13Å; M88-M289 PolarHBondContact SD-N 3.1Å; A247-M289 HydrophobicContact CB-CE 4.18Å; F257-M289 HydrophobicContact CD1-CE 3.86Å; F257-M289 HydrophobicContact CE1-CE 3.64Å; F257-M289 HydrophobicContact CZ-CE 4.47Å; F283-M289 HydrophobicContact CE1-CE 4.28Å; E287-M289 PolarHBondContact O-N 2.81Å; M289-V293 HydrophobicContact CG-CB 3.76Å; M289-V293 HydrophobicContact CG-CG1 3.62Å; M289-V293 HydrophobicContact SD-CB 4.46Å; M289-V293 HydrophobicContact SD-CG1 4Å; M289-G294 WeakPolarHBondContact SD-CA 3.36Å; M289-G294 PolarHBondContact SD-N 2.85Å; M289-G294 VanDerWaalsContact SD-N 3.43Å; M289-L297 HydrophobicContact CE-CD1 4.06Å
290S81.4Confident85.6Confident60 Ų6040.9 Ų40.942%0.4222%0.218SC..  trans-71.2150.5173.968.80000110.4A292 V293 G294S290-A292 PolarHBondContact O-N 3.27Å; S290-V293 PolarHBondContact O-N 3.28Å; S290-V293 VanDerWaalsContact OG-CG2 3.31Å; S290-V293 WeakPolarHBondContact OG-CG2 3.45Å; S290-V293 PolarHBondContact OG-N 2.94Å; S290-G294 PolarHBondContact O-N 3.26Å
291P83.4Confident85Confident41 Ų4144.6 Ų44.627%0.26624%0.244SC..Hα-helixtrans-54.9-35.1176.2-28.336000113.1E81 F84 G294 K295E81-P291 HydrophobicContact CG-CB 4.46Å; F84-P291 HydrophobicContact CD1-CB 4.38Å; F84-P291 HydrophobicContact CD1-CG 4.23Å; F84-P291 HydrophobicContact CE1-CB 4.31Å; F84-P291 HydrophobicContact CE1-CG 4.13Å; P291-G294 PolarHBondContact O-N 3.24Å; P291-K295 WeakPolarHBondContact O-CB 3.43Å; P291-K295 PolarHBondContact O-N 3.29Å
292A85.2Confident84.4Confident73 Ų7345.5 Ų45.560%0.60325%0.252SS*.Hα-helixtrans-62.3-46.1175.500000112.5S290 Q296S290-A292 PolarHBondContact O-N 3.27Å; A292-Q296 WeakPolarHBondContact O-CB 3.28Å; A292-Q296 PolarHBondContact O-N 3.08Å
293V85.5Confident84Confident50 Ų5049.1 Ų49.130%0.30327%0.271SS..Hα-helixtrans-67-42177174.20000110.6F257 M289 S290 Q296 L297F257-V293 HydrophobicContact CD2-CG1 3.85Å; F257-V293 HydrophobicContact CE2-CG1 4Å; F257-V293 HydrophobicContact CG-CG1 4.16Å; F257-V293 HydrophobicContact CZ-CG1 4.44Å; M289-V293 HydrophobicContact CG-CB 3.76Å; M289-V293 HydrophobicContact CG-CG1 3.62Å; M289-V293 HydrophobicContact SD-CB 4.46Å; M289-V293 HydrophobicContact SD-CG1 4Å; S290-V293 PolarHBondContact O-N 3.28Å; S290-V293 VanDerWaalsContact OG-CG2 3.31Å; S290-V293 WeakPolarHBondContact OG-CG2 3.45Å; S290-V293 PolarHBondContact OG-N 2.94Å; V293-Q296 PolarHBondContact O-N 2.74Å; V293-L297 WeakPolarHBondContact O-CB 3.44Å; V293-L297 PolarHBondContact O-N 2.96Å
294G86.8Confident84Confident0 Ų051.8 Ų51.80%029%0.289CS..Hα-helixtrans-63.1-42.8177.400000113.1M289 S290 P291 L297 L298M289-G294 WeakPolarHBondContact SD-CA 3.36Å; M289-G294 PolarHBondContact SD-N 2.85Å; M289-G294 VanDerWaalsContact SD-N 3.43Å; S290-G294 PolarHBondContact O-N 3.26Å; P291-G294 PolarHBondContact O-N 3.24Å; G294-L297 PolarHBondContact O-N 3.3Å; G294-L298 WeakPolarHBondContact O-CB 3.23Å; G294-L298 WeakPolarHBondContact O-CG 3.39Å; G294-L298 PolarHBondContact O-N 2.94Å
295K89.1Confident84.1Confident115 Ų11554 Ų5450%0.530%0.3SS..Hα-helixtrans-65-42175.3-170.6174.3-176.7174.80111.5P291 K299 G300P291-K295 WeakPolarHBondContact O-CB 3.43Å; P291-K295 PolarHBondContact O-N 3.29Å; K295-K299 WeakPolarHBondContact O-CA 3.32Å; K295-K299 WeakPolarHBondContact O-CB 3.41Å; K295-K299 PolarHBondContact O-N 3.4Å; K295-G300 PolarHBondContact O-N 3.46Å
296Q88.8Confident84.6Confident113 Ų11358.5 Ų58.553%0.52833%0.325SS..Hα-helixtrans-63.2-41.6175.1-177.561.232.900111.8S260 A292 V293 G300S260-Q296 PolarHBondContact OG-NE2 3.03Å; S260-Q296 PolarHBondContact OG-O 3.16Å; A292-Q296 WeakPolarHBondContact O-CB 3.28Å; A292-Q296 PolarHBondContact O-N 3.08Å; V293-Q296 PolarHBondContact O-N 2.74Å; Q296-G300 WeakPolarHBondContact O-CA 3.44Å; Q296-G300 PolarHBondContact O-N 2.82Å
297L89.2Confident85.5Confident6 Ų656.1 Ų56.13%0.03131%0.313CS..Hα-helixtrans-66.1-48.2179.9-173.4155.7000111.7I258 Y263 F283 M289 V293 G294I258-L297 HydrophobicContact CD1-CD1 4.24Å; I258-L297 HydrophobicContact CD1-CD2 4.34Å; I258-L297 HydrophobicContact CD1-CG 4.4Å; I258-L297 HydrophobicContact CG1-CD1 3.67Å; I258-L297 HydrophobicContact CG1-CG 4.04Å; Y263-L297 HydrophobicContact CD1-CD2 4.47Å; Y263-L297 WeakPolarHBondContact CD1-O 3.32Å; Y263-L297 HydrophobicContact CD2-CD2 3.77Å; Y263-L297 HydrophobicContact CE2-CD2 4.01Å; Y263-L297 HydrophobicContact CG-CD2 4Å; F283-L297 HydrophobicContact CE1-CD1 4.13Å; F283-L297 HydrophobicContact CE1-CD2 4.4Å; F283-L297 HydrophobicContact CE2-CD2 4.28Å; F283-L297 HydrophobicContact CZ-CD1 3.8Å; F283-L297 HydrophobicContact CZ-CD2 4Å; M289-L297 HydrophobicContact CE-CD1 4.06Å; V293-L297 WeakPolarHBondContact O-CB 3.44Å; V293-L297 PolarHBondContact O-N 2.96Å; G294-L297 PolarHBondContact O-N 3.3Å
298L88.9Confident86.5Confident17 Ų1756.1 Ų56.19%0.08932%0.319CS..Hα-helixtrans-86.8-32.6-171-61.2169.5000113.9V72 V73 F79 Y263 G294V72-L298 HydrophobicContact CB-CD1 4.27Å; V72-L298 HydrophobicContact CG2-CD1 3.56Å; V73-L298 HydrophobicContact CG2-CB 3.95Å; V73-L298 HydrophobicContact CG2-CD1 4.23Å; F79-L298 HydrophobicContact CD2-CD1 4.49Å; F79-L298 HydrophobicContact CE2-CD1 4.04Å; Y263-L298 HydrophobicContact CE1-CD2 3.98Å; Y263-L298 HydrophobicContact CE2-CD2 4.06Å; Y263-L298 WeakPolarHBondContact OH-CD2 3.24Å; G294-L298 WeakPolarHBondContact O-CB 3.23Å; G294-L298 WeakPolarHBondContact O-CG 3.39Å; G294-L298 PolarHBondContact O-N 2.94Å
299K88Confident87.3Confident98 Ų9850 Ų5043%0.42629%0.292SS..Hα-helixtrans-117.21.4-178.3-73.8-157.866.7162.90113.9V73 G77 F79 K295V73-K299 HydrophobicContact CG2-CG 4.33Å; G77-K299 VanDerWaalsContact O-CD 3.23Å; G77-K299 WeakPolarHBondContact O-CD 3.38Å; G77-K299 WeakPolarHBondContact O-CE 3.49Å; G77-K299 PolarHBondContact O-NZ 3.48Å; F79-K299 HydrophobicContact CB-CD 3.85Å; K295-K299 WeakPolarHBondContact O-CA 3.32Å; K295-K299 WeakPolarHBondContact O-CB 3.41Å; K295-K299 PolarHBondContact O-N 3.4Å
300G84.1Confident88Confident12 Ų1252.5 Ų52.512%0.12430%0.303CS..PPolyproline II helixtrans-61.9152.5177.400000111.4K295 Q296K295-G300 PolarHBondContact O-N 3.46Å; Q296-G300 WeakPolarHBondContact O-CA 3.44Å; Q296-G300 PolarHBondContact O-N 2.82Å
301S84.4Confident88.5Confident80 Ų8049.9 Ų49.956%0.55928%0.284SS*.PPolyproline II helixtrans-65.4154.817355.80000110.8S260S260-S301 VanDerWaalsContact CB-O 3.24Å; S260-S301 WeakPolarHBondContact CB-O 3.44Å
302A85.9Confident88.9Confident18 Ų1849.9 Ų49.915%0.14928%0.284CS..PPolyproline II helixtrans-55.6151.7166.500000111.1T26 P28 I264T26-A302 WeakPolarHBondContact O-CB 3.49Å; P28-A302 WeakPolarHBondContact CD-O 3.49Å; P28-A302 WeakPolarHBondContact CG-O 3.39Å; I264-A302 HydrophobicContact CD1-CB 4.05Å
303D86.5Confident89.4Confident76 Ų7647.6 Ų47.641%0.40626%0.26SS..PPolyproline II helixtrans-64.7137179-66.6-37.3000109.8T259 G261T259-D303 PolarHBondContact OG1-OD2 3.26Å; G261-D303 WeakPolarHBondContact CA-OD2 3.25Å; G261-D303 PolarHBondContact N-OD2 2.94Å
304P90.3Very high89.8Confident59 Ų5946.3 Ų46.338%0.38325%0.251SS..PPolyproline II helixtrans-62143.9174.625.6-32.9000110.5P28 N29 N306P28-P304 HydrophobicContact CG-CB 4.03Å; N29-P304 WeakPolarHBondContact OD1-CA 3.42Å; P304-N306 PolarHBondContact O-N 3.1Å
305L91.6Very high90.1Very high66 Ų6646.4 Ų46.435%0.34625%0.252SS..  trans-69.699169.7178.665.1000108.3I27 N29 F33 F335 Q339I27-L305 HydrophobicContact CD1-CB 3.86Å; I27-L305 HydrophobicContact CD1-CD2 3.96Å; N29-L305 PolarHBondContact ND2-O 3.26Å; N29-L305 PolarHBondContact OD1-N 2.92Å; F33-L305 HydrophobicContact CB-CD2 4.39Å; F33-L305 HydrophobicContact CD2-CD2 3.63Å; F33-L305 HydrophobicContact CE2-CD2 4.12Å; F33-L305 HydrophobicContact CG-CD2 4.11Å; L305-F335 HydrophobicContact CG-CE1 4.33Å; L305-F335 WeakPolarHBondContact O-CE1 3Å; L305-Q339 PolarHBondContact O-NE2 3.41Å; L305-Q339 VanDerWaalsContact O-NE2 3.12Å
306N91.9Very high90.4Very high99 Ų9940.9 Ų40.953%0.52923%0.228SC..  trans-102.3139.9174.2-68.4-33.7000110.1P304 A308 Q339P304-N306 PolarHBondContact O-N 3.1Å; N306-A308 PolarHBondContact O-N 3.37Å; N306-Q339 PolarHBondContact OD1-NE2 2.88Å
307S92.7Very high90.7Very high17 Ų1735.5 Ų35.512%0.11920%0.203CC..  trans-59.4138.1175.4172.30000110.8E8 F309 Y336E8-S307 WeakPolarHBondContact OE1-CA 3.33Å; E8-S307 WeakPolarHBondContact OE1-CB 3.11Å; E8-S307 PolarHBondContact OE1-OG 3.39Å; E8-S307 PolarHBondContact OE2-OG 3.43Å; E8-S307 VanDerWaalsContact OE2-OG 3.13Å; S307-F309 VanDerWaalsContact OG-CB 3.27Å; S307-F309 WeakPolarHBondContact OG-CB 3.05Å; S307-F309 PolarHBondContact OG-N 3.1Å; S307-F309 VanDerWaalsContact OG-N 3.08Å; S307-Y336 VanDerWaalsContact CB-N 3.31Å; S307-Y336 VanDerWaalsContact OG-CB 3.3Å; S307-Y336 WeakPolarHBondContact OG-CB 3.46Å; S307-Y336 PolarHBondContact OG-N 3.13Å
308A91.4Very high90.9Very high31 Ų3136.6 Ų36.626%0.25621%0.208SC..  trans-112.325.1169.600000110.9N306 H310N306-A308 PolarHBondContact O-N 3.37Å; A308-H310 PolarHBondContact O-N 3.15Å; A308-H310 PolarHBondContact O-ND1 2.6Å
309F91.8Very high91.1Very high5 Ų536.2 Ų36.22%0.02221%0.206CC..  trans-61131.1179.9-171.6-82.8000111V5 E8 S307 L311 M315 M330 L331 Q592V5-F309 HydrophobicContact CG2-CD2 3.96Å; V5-F309 HydrophobicContact CG2-CE2 4.09Å; V5-F309 HydrophobicContact CG2-CG 4.48Å; E8-F309 HydrophobicContact CB-CD2 4.11Å; S307-F309 VanDerWaalsContact OG-CB 3.27Å; S307-F309 WeakPolarHBondContact OG-CB 3.05Å; S307-F309 PolarHBondContact OG-N 3.1Å; S307-F309 VanDerWaalsContact OG-N 3.08Å; F309-L311 HydrophobicContact CE1-CD2 4.39Å; F309-M315 HydrophobicContact CE1-CE 4.3Å; F309-M315 HydrophobicContact CE2-SD 4.07Å; F309-M315 HydrophobicContact CZ-CE 3.79Å; F309-M315 HydrophobicContact CZ-SD 3.77Å; F309-M330 HydrophobicContact CE2-CG 3.93Å; F309-M330 HydrophobicContact CE2-SD 4.35Å; F309-M330 HydrophobicContact CZ-CG 3.78Å; F309-L331 HydrophobicContact CD1-CD2 4.44Å; F309-L331 HydrophobicContact CE1-CD2 3.61Å; F309-L331 HydrophobicContact CZ-CD2 4.34Å; F309-Q592 VanDerWaalsContact CD1-OE1 3.25Å; F309-Q592 PolarHBondContact O-NE2 3.36Å
310H90.9Very high91.3Very high67 Ų6732.9 Ų32.931%0.3119%0.193SC..  trans-149.9156176.355.2-81.2000109.2V5 A308V5-H310 WeakPolarHBondContact CG2-O 3.41Å; A308-H310 PolarHBondContact O-N 3.15Å; A308-H310 PolarHBondContact O-ND1 2.6Å
311L91.7Very high91.6Very high4 Ų437.6 Ų37.62%0.02121%0.207CC..  trans-79.9129-178.9-68169.6000111.2F309 M315 V316 L331 Q592 E595 L596 R599F309-L311 HydrophobicContact CE1-CD2 4.39Å; L311-M315 HydrophobicContact CB-CE 4.37Å; L311-M315 HydrophobicContact CD2-CE 3.57Å; L311-M315 HydrophobicContact CG-CE 4.44Å; L311-V316 HydrophobicContact CD2-CG2 4.33Å; L311-L331 HydrophobicContact CD2-CD1 4.46Å; L311-L331 HydrophobicContact CD2-CD2 3.82Å; L311-L331 HydrophobicContact CD2-CG 4.24Å; L311-L331 HydrophobicContact CG-CD2 4.25Å; L311-Q592 HydrophobicContact CD1-CB 4.12Å; L311-E595 HydrophobicContact CD1-CB 4.13Å; L311-E595 HydrophobicContact CD1-CG 4.24Å; L311-L596 HydrophobicContact CD1-CB 3.69Å; L311-R599 PolarHBondContact O-NE 2.88Å; L311-R599 PolarHBondContact O-NH1 3.4Å; L311-R599 PolarHBondContact O-NH2 3.5Å
312T92.9Very high91.8Very high41 Ų4137 Ų3725%0.25220%0.2SC..  trans-113.7152.2169.364.80000109.6N314 M315 V316T312-N314 VanDerWaalsContact C-N 3.34Å; T312-M315 WeakPolarHBondContact OG1-CB 3.45Å; T312-M315 PolarHBondContact OG1-N 3.49Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.25Å; T312-V316 VanDerWaalsContact O-N 3.16Å
313Y95.1Very high91.6Very high25 Ų2545.8 Ų45.810%0.09824%0.238CC..Hα-helixtrans-68.9-35.3-180-67.6-77.8000111.9V316 L317 R599 V602 L603 E630 L631 L696Y313-V316 PolarHBondContact O-N 2.69Å; Y313-L317 WeakPolarHBondContact O-CB 3.33Å; Y313-L317 WeakPolarHBondContact O-CG 3.29Å; Y313-L317 PolarHBondContact O-N 3.23Å; Y313-R599 HydrophobicContact CD1-CB 4.27Å; Y313-R599 HydrophobicContact CD1-CG 4.49Å; Y313-R599 HydrophobicContact CE1-CB 3.73Å; Y313-R599 HydrophobicContact CE1-CG 3.84Å; Y313-R599 VanDerWaalsContact CE2-NH1 3.35Å; Y313-V602 HydrophobicContact CE1-CB 4.23Å; Y313-V602 HydrophobicContact CE1-CG1 4.29Å; Y313-L603 HydrophobicContact CD1-CD1 4.39Å; Y313-L603 HydrophobicContact CD1-CD2 3.68Å; Y313-L603 HydrophobicContact CD1-CG 3.98Å; Y313-L603 HydrophobicContact CE1-CD2 4.25Å; Y313-L603 HydrophobicContact CE1-CG 4.31Å; Y313-L603 HydrophobicContact CG-CD2 4.47Å; Y313-E630 VanDerWaalsContact CA-OE1 3.26Å; Y313-E630 WeakPolarHBondContact CA-OE1 3.46Å; Y313-E630 WeakPolarHBondContact CB-OE1 3.4Å; Y313-E630 PolarHBondContact N-OE1 3.02Å; Y313-L631 HydrophobicContact CD1-CD1 3.89Å; Y313-L631 HydrophobicContact CD1-CD2 4.44Å; Y313-L631 HydrophobicContact CD1-CG 4.44Å; Y313-L631 HydrophobicContact CD2-CD1 3.42Å; Y313-L631 VanDerWaalsContact CD2-CD1 3.42Å; Y313-L631 HydrophobicContact CD2-CG 3.8Å; Y313-L631 HydrophobicContact CE1-CD1 3.83Å; Y313-L631 HydrophobicContact CE2-CD1 3.38Å; Y313-L631 HydrophobicContact CE2-CG 4.26Å; Y313-L631 HydrophobicContact CG-CD1 3.67Å; Y313-L631 HydrophobicContact CG-CD2 4.16Å; Y313-L631 HydrophobicContact CG-CG 3.89Å; Y313-L696 VanDerWaalsContact OH-CD1 3.3Å; Y313-L696 WeakPolarHBondContact OH-CD1 3.36Å
314N94.4Very high91.3Very high24 Ų2451.1 Ų51.113%0.12826%0.26CS..Hα-helixtrans-58.2-50.3176-178-80.7000111T312 V316 L317 N318 A622 C623 I625 E630T312-N314 VanDerWaalsContact C-N 3.34Å; N314-V316 PolarHBondContact O-N 2.76Å; N314-L317 PolarHBondContact O-N 3.29Å; N314-N318 WeakPolarHBondContact O-CB 3.37Å; N314-N318 PolarHBondContact O-N 2.91Å; N314-N318 PolarHBondContact O-ND2 3.24Å; N314-N318 PolarHBondContact OD1-ND2 3.49Å; N314-A622 PolarHBondContact ND2-O 3.42Å; N314-C623 PolarHBondContact ND2-O 3Å; N314-C623 VanDerWaalsContact ND2-O 3.15Å; N314-I625 PolarHBondContact ND2-O 3.31Å; N314-E630 HydrophobicContact CB-CG 4.2Å; N314-E630 PolarHBondContact N-OE1 2.92Å
315M92.9Very high91.2Very high1 Ų150.6 Ų50.61%0.00525%0.254CS..Hα-helixtrans-55.8-49.5173.6177-179.754.800111.7V5 F309 L311 T312 L317 N318 L319 M330V5-M315 HydrophobicContact CG2-SD 4.48Å; F309-M315 HydrophobicContact CE1-CE 4.3Å; F309-M315 HydrophobicContact CE2-SD 4.07Å; F309-M315 HydrophobicContact CZ-CE 3.79Å; F309-M315 HydrophobicContact CZ-SD 3.77Å; L311-M315 HydrophobicContact CB-CE 4.37Å; L311-M315 HydrophobicContact CD2-CE 3.57Å; L311-M315 HydrophobicContact CG-CE 4.44Å; T312-M315 WeakPolarHBondContact OG1-CB 3.45Å; T312-M315 PolarHBondContact OG1-N 3.49Å; M315-L317 VanDerWaalsContact C-N 3.34Å; M315-L317 PolarHBondContact O-N 2.9Å; M315-N318 PolarHBondContact O-N 3.34Å; M315-L319 HydrophobicContact CG-CD1 3.61Å; M315-L319 HydrophobicContact CG-CG 4.31Å; M315-L319 WeakPolarHBondContact O-CB 3.05Å; M315-L319 WeakPolarHBondContact O-CG 3.4Å; M315-L319 PolarHBondContact O-N 3.49Å; M315-L319 HydrophobicContact SD-CD1 4.36Å; M315-M330 HydrophobicContact SD-CG 4.04Å
316V94.8Very high91Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-61.8-43.6-1791770000111L311 T312 Y313 N314 L319 L320 P327 L596 K600 L603L311-V316 HydrophobicContact CD2-CG2 4.33Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.25Å; T312-V316 VanDerWaalsContact O-N 3.16Å; Y313-V316 PolarHBondContact O-N 2.69Å; N314-V316 PolarHBondContact O-N 2.76Å; V316-L319 PolarHBondContact O-N 3.45Å; V316-L320 HydrophobicContact CG1-CD1 4.17Å; V316-L320 HydrophobicContact CG1-CG 4.41Å; V316-L320 VanDerWaalsContact O-CG 3.27Å; V316-L320 WeakPolarHBondContact O-CG 3.23Å; V316-L320 PolarHBondContact O-N 3.44Å; V316-P327 HydrophobicContact CG1-CG 4.07Å; V316-L596 HydrophobicContact CG1-CD1 3.99Å; V316-L596 HydrophobicContact CG2-CD1 3.77Å; V316-K600 HydrophobicContact CG1-CG 4.47Å; V316-L603 HydrophobicContact CB-CD1 4.43Å; V316-L603 HydrophobicContact CG1-CD1 3.79Å
317L95.1Very high90.9Very high0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-65.7-43.9179.1-73.4170000112.1Y313 N314 M315 L319 L320 R321 L603 F608 A622Y313-L317 WeakPolarHBondContact O-CB 3.33Å; Y313-L317 WeakPolarHBondContact O-CG 3.29Å; Y313-L317 PolarHBondContact O-N 3.23Å; N314-L317 PolarHBondContact O-N 3.29Å; M315-L317 VanDerWaalsContact C-N 3.34Å; M315-L317 PolarHBondContact O-N 2.9Å; L317-L319 VanDerWaalsContact C-N 3.33Å; L317-L319 PolarHBondContact O-N 2.97Å; L317-L320 PolarHBondContact O-N 3.32Å; L317-R321 PolarHBondContact O-N 3.42Å; L317-L603 HydrophobicContact CD1-CD2 4.22Å; L317-L603 HydrophobicContact CD2-CD1 3.88Å; L317-L603 HydrophobicContact CD2-CD2 3.99Å; L317-L603 HydrophobicContact CD2-CG 4.47Å; L317-L603 HydrophobicContact CG-CD1 4.14Å; L317-L603 HydrophobicContact CG-CD2 4.13Å; L317-F608 HydrophobicContact CD1-CD1 4.36Å; L317-F608 HydrophobicContact CD2-CB 4.09Å; L317-A622 HydrophobicContact CD1-CB 3.53Å
318N93.5Very high90.8Very high29 Ų2948 Ų4816%0.15524%0.237CC..Hα-helixtrans-62.8-39.7176-86.8-56.1000112N314 M315 R321 V322N314-N318 WeakPolarHBondContact O-CB 3.37Å; N314-N318 PolarHBondContact O-N 2.91Å; N314-N318 PolarHBondContact O-ND2 3.24Å; N314-N318 PolarHBondContact OD1-ND2 3.49Å; M315-N318 PolarHBondContact O-N 3.34Å; N318-R321 WeakPolarHBondContact O-CB 3.39Å; N318-R321 PolarHBondContact O-N 3.08Å; N318-R321 VanDerWaalsContact O-N 3.17Å; N318-R321 PolarHBondContact OD1-NE 3.32Å; N318-R321 PolarHBondContact OD1-NH2 2.86Å; N318-V322 PolarHBondContact O-N 2.95Å
319L92.8Very high90.7Very high8 Ų850.4 Ų50.44%0.04224%0.24CC..Hα-helixtrans-71.8-26.7175.6-67.3171.7000112.9L13 M315 V316 L317 R321 I325 P327 M330L13-L319 HydrophobicContact CD2-CD2 4.33Å; M315-L319 HydrophobicContact CG-CD1 3.61Å; M315-L319 HydrophobicContact CG-CG 4.31Å; M315-L319 WeakPolarHBondContact O-CB 3.05Å; M315-L319 WeakPolarHBondContact O-CG 3.4Å; M315-L319 PolarHBondContact O-N 3.49Å; M315-L319 HydrophobicContact SD-CD1 4.36Å; V316-L319 PolarHBondContact O-N 3.45Å; L317-L319 VanDerWaalsContact C-N 3.33Å; L317-L319 PolarHBondContact O-N 2.97Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-I325 HydrophobicContact CD2-CG2 3.76Å; L319-P327 HydrophobicContact CB-CB 4.43Å; L319-P327 HydrophobicContact CB-CG 3.83Å; L319-P327 HydrophobicContact CD1-CB 4.38Å; L319-M330 HydrophobicContact CD1-CB 3.67Å; L319-M330 HydrophobicContact CD1-CE 4.2Å; L319-M330 HydrophobicContact CD1-CG 3.99Å; L319-M330 HydrophobicContact CD2-CE 3.95Å
320L92.3Very high90.7Very high28 Ų2850.2 Ų50.215%0.14724%0.239CC..Hα-helixtrans-77.4-17.7170-70.3179.4000112.9V316 L317 P327 L603 A609 D613V316-L320 HydrophobicContact CG1-CD1 4.17Å; V316-L320 HydrophobicContact CG1-CG 4.41Å; V316-L320 VanDerWaalsContact O-CG 3.27Å; V316-L320 WeakPolarHBondContact O-CG 3.23Å; V316-L320 PolarHBondContact O-N 3.44Å; L317-L320 PolarHBondContact O-N 3.32Å; L320-P327 HydrophobicContact CD2-CG 3.89Å; L320-P327 HydrophobicContact CG-CG 4.04Å; L320-L603 HydrophobicContact CD1-CD1 4.48Å; L320-A609 HydrophobicContact CD1-CB 4.33Å; L320-D613 HydrophobicContact CD2-CB 3.93Å
321R91.4Very high90.7Very high112 Ų11247 Ų4742%0.42323%0.225SC..Hα-helixtrans-80.4-32179.3-174.3178.467.4167.7-0.6112.5L317 N318 L319 I615 E624L317-R321 PolarHBondContact O-N 3.42Å; N318-R321 WeakPolarHBondContact O-CB 3.39Å; N318-R321 PolarHBondContact O-N 3.08Å; N318-R321 VanDerWaalsContact O-N 3.17Å; N318-R321 PolarHBondContact OD1-NE 3.32Å; N318-R321 PolarHBondContact OD1-NH2 2.86Å; L319-R321 VanDerWaalsContact C-N 3.3Å; R321-I615 HydrophobicContact CB-CD1 3.9Å; R321-I615 HydrophobicContact CB-CG2 4.39Å; R321-I615 HydrophobicContact CG-CD1 4.33Å; R321-I615 HydrophobicContact CG-CG2 4.42Å; R321-E624 IonicContact NH1-OE1 3.21Å
322V88.9Confident90.6Very high67 Ų6751.8 Ų51.841%0.40625%0.247SC..SBendtrans-89.7125.2-177.9179.70000109.1N318 E324 I325N318-V322 PolarHBondContact O-N 2.95Å; V322-E324 PolarHBondContact O-N 3.09Å; V322-I325 HydrophobicContact CG1-CB 4.49Å; V322-I325 HydrophobicContact CG1-CG1 4.46Å
323E79.8Confident90.6Very high202 Ų20252 Ų5294%0.94424%0.244SC*.THydrogen-bonded Turntrans-70.5-31.2-172.7-67.5-174.6172.300114
324E82.1Confident90.5Very high189 Ų18950.9 Ų50.988%0.88324%0.24SC*.THydrogen-bonded Turntrans-84-14.4-173.3-62.1-173.8166.100114V322V322-E324 PolarHBondContact O-N 3.09Å
325I86.9Confident90.6Very high47 Ų4749.9 Ų49.924%0.24124%0.235CC..  trans-128142-173.4-55179.9000108.3L13 L319 V322 Y329L13-I325 HydrophobicContact CD2-CD1 3.81Å; L319-I325 HydrophobicContact CD2-CG2 3.76Å; V322-I325 HydrophobicContact CG1-CB 4.49Å; V322-I325 HydrophobicContact CG1-CG1 4.46Å; I325-Y329 HydrophobicContact CG2-CD1 3.77Å; I325-Y329 HydrophobicContact CG2-CE1 4.5Å; I325-Y329 HydrophobicContact CG2-CG 4.41Å
326N87.2Confident90.5Very high78 Ų7853 Ų5342%0.41725%0.247SC..  trans-121160.9172.762.618.3000111.4E328 Y329 M330N326-E328 PolarHBondContact O-N 3.38Å; N326-Y329 WeakPolarHBondContact O-CB 3.18Å; N326-Y329 PolarHBondContact O-N 2.81Å; N326-Y329 VanDerWaalsContact O-N 3.15Å; N326-Y329 WeakPolarHBondContact OD1-CB 3.43Å; N326-Y329 PolarHBondContact OD1-N 2.93Å; N326-M330 PolarHBondContact O-N 3.27Å
327P90.6Very high90.3Very high1 Ų153 Ų531%0.00625%0.247CC..Hα-helixtrans-56.2-32.3175.9-25.633.1000113.9V316 L319 L320 M330 L331 L596V316-P327 HydrophobicContact CG1-CG 4.07Å; L319-P327 HydrophobicContact CB-CB 4.43Å; L319-P327 HydrophobicContact CB-CG 3.83Å; L319-P327 HydrophobicContact CD1-CB 4.38Å; L320-P327 HydrophobicContact CD2-CG 3.89Å; L320-P327 HydrophobicContact CG-CG 4.04Å; P327-M330 PolarHBondContact O-N 3.14Å; P327-L331 PolarHBondContact O-N 2.64Å; P327-L596 HydrophobicContact CB-CD1 3.69Å; P327-L596 HydrophobicContact CB-CD2 3.81Å; P327-L596 HydrophobicContact CB-CG 4.4Å; P327-L596 HydrophobicContact CG-CD1 4.47Å
328E90.7Very high90.2Very high48 Ų4854.5 Ų54.522%0.22425%0.254CS..Hα-helixtrans-63.2-40.8177.2-68.580.3-179.300112.4N326 M330 L331 E332 M593 L596 K600N326-E328 PolarHBondContact O-N 3.38Å; E328-M330 VanDerWaalsContact C-N 3.35Å; E328-M330 PolarHBondContact O-N 2.69Å; E328-L331 WeakPolarHBondContact O-CB 3.42Å; E328-L331 PolarHBondContact O-N 3.07Å; E328-E332 WeakPolarHBondContact O-CG 3.4Å; E328-E332 PolarHBondContact O-N 3.43Å; E328-M593 HydrophobicContact CB-CE 4.11Å; E328-M593 HydrophobicContact CG-CE 3.81Å; E328-M593 HydrophobicContact CG-SD 3.88Å; E328-L596 HydrophobicContact CG-CD2 3.94Å; E328-K600 IonicContact OE1-NZ 2.63Å; E328-K600 PolarHBondContact OE1-NZ 2.74Å; E328-K600 IonicContact OE2-NZ 2.88Å; E328-K600 PolarHBondContact OE2-NZ 3.36Å
329Y88.8Confident90Very high82 Ų8254.2 Ų54.232%0.32225%0.251SS..Hα-helixtrans-60.2-44.9176.5174.5-94000111.4I12 I325 N326 L331 E332 K333I12-Y329 HydrophobicContact CG2-CE1 4.17Å; I325-Y329 HydrophobicContact CG2-CD1 3.77Å; I325-Y329 HydrophobicContact CG2-CE1 4.5Å; I325-Y329 HydrophobicContact CG2-CG 4.41Å; N326-Y329 WeakPolarHBondContact O-CB 3.18Å; N326-Y329 PolarHBondContact O-N 2.81Å; N326-Y329 VanDerWaalsContact O-N 3.15Å; N326-Y329 WeakPolarHBondContact OD1-CB 3.43Å; N326-Y329 PolarHBondContact OD1-N 2.93Å; Y329-L331 VanDerWaalsContact C-N 3.32Å; Y329-L331 PolarHBondContact O-N 3.37Å; Y329-E332 PolarHBondContact O-N 2.86Å; Y329-K333 HydrophobicContact CD1-CG 4.39Å; Y329-K333 HydrophobicContact CD2-CG 4.3Å; Y329-K333 HydrophobicContact CE1-CG 4.06Å; Y329-K333 HydrophobicContact CE2-CD 4.48Å; Y329-K333 HydrophobicContact CE2-CG 3.96Å; Y329-K333 HydrophobicContact CG-CG 4.5Å; Y329-K333 WeakPolarHBondContact O-CB 3.39Å; Y329-K333 VanDerWaalsContact O-CG 3.29Å; Y329-K333 WeakPolarHBondContact O-CG 3.43Å; Y329-K333 PolarHBondContact O-N 2.82Å
330M91.3Very high89.8Confident1 Ų156.6 Ų56.61%0.00526%0.262CS..Hα-helixtrans-59.6-43.5177.2-176.464.970.300111.5E9 I12 L13 F309 M315 L319 N326 P327 E328 K333 S334E9-M330 HydrophobicContact CG-CE 3.95Å; I12-M330 HydrophobicContact CB-CE 4.25Å; I12-M330 HydrophobicContact CB-SD 3.71Å; I12-M330 HydrophobicContact CD1-SD 3.44Å; I12-M330 WeakPolarHBondContact CD1-SD 3.4Å; I12-M330 HydrophobicContact CG1-SD 4.17Å; I12-M330 HydrophobicContact CG2-CE 3.96Å; I12-M330 HydrophobicContact CG2-SD 3.54Å; I12-M330 VanDerWaalsContact CG2-SD 3.54Å; L13-M330 HydrophobicContact CD1-CE 4.33Å; L13-M330 HydrophobicContact CD2-CE 3.78Å; L13-M330 HydrophobicContact CG-CE 3.82Å; F309-M330 HydrophobicContact CE2-CG 3.93Å; F309-M330 HydrophobicContact CE2-SD 4.35Å; F309-M330 HydrophobicContact CZ-CG 3.78Å; M315-M330 HydrophobicContact SD-CG 4.04Å; L319-M330 HydrophobicContact CD1-CB 3.67Å; L319-M330 HydrophobicContact CD1-CE 4.2Å; L319-M330 HydrophobicContact CD1-CG 3.99Å; L319-M330 HydrophobicContact CD2-CE 3.95Å; N326-M330 PolarHBondContact O-N 3.27Å; P327-M330 PolarHBondContact O-N 3.14Å; E328-M330 VanDerWaalsContact C-N 3.35Å; E328-M330 PolarHBondContact O-N 2.69Å; M330-K333 PolarHBondContact O-N 2.98Å; M330-S334 PolarHBondContact O-N 2.89Å
331L91.2Very high89.5Confident1 Ų159.9 Ų59.91%0.00527%0.273CS..Hα-helixtrans-62-46.3177.5-74.9176.2000112.4F309 L311 P327 E328 Y329 K333 S334 Q337 V590 Q592 M593 L596F309-L331 HydrophobicContact CD1-CD2 4.44Å; F309-L331 HydrophobicContact CE1-CD2 3.61Å; F309-L331 HydrophobicContact CZ-CD2 4.34Å; L311-L331 HydrophobicContact CD2-CD1 4.46Å; L311-L331 HydrophobicContact CD2-CD2 3.82Å; L311-L331 HydrophobicContact CD2-CG 4.24Å; L311-L331 HydrophobicContact CG-CD2 4.25Å; P327-L331 PolarHBondContact O-N 2.64Å; E328-L331 WeakPolarHBondContact O-CB 3.42Å; E328-L331 PolarHBondContact O-N 3.07Å; Y329-L331 VanDerWaalsContact C-N 3.32Å; Y329-L331 PolarHBondContact O-N 3.37Å; L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 3.35Å; L331-S334 WeakPolarHBondContact O-CB 3.29Å; L331-S334 PolarHBondContact O-N 2.89Å; L331-S334 PolarHBondContact O-OG 2.93Å; L331-Q337 WeakPolarHBondContact O-CB 3.18Å; L331-V590 HydrophobicContact CB-CG1 4Å; L331-Q592 HydrophobicContact CD2-CB 3.95Å; L331-M593 HydrophobicContact CD1-CE 4.2Å; L331-L596 HydrophobicContact CD1-CB 4.03Å; L331-L596 HydrophobicContact CD1-CD2 3.66Å; L331-L596 HydrophobicContact CD1-CG 4.43Å
332E89.4Confident89.3Confident104 Ų10459 Ų5949%0.48627%0.27SS..Hα-helixtrans-64.2-33.8-179.7-72.3-178.4-178.300112.7E328 Y329 V590E328-E332 WeakPolarHBondContact O-CG 3.4Å; E328-E332 PolarHBondContact O-N 3.43Å; Y329-E332 PolarHBondContact O-N 2.86Å; E332-V590 HydrophobicContact CG-CG1 4.44Å; E332-V590 HydrophobicContact CG-CG2 4.12Å
333K92.5Very high89.2Confident45 Ų4558.3 Ų58.320%0.19627%0.271CS..Hα-helixtrans-89.5-9.7-178.5-65.7-61.3-172169.30114.4I12 W36 L40 Y329 M330 L331I12-K333 HydrophobicContact CD1-CB 4.42Å; I12-K333 HydrophobicContact CG1-CB 4.4Å; I12-K333 HydrophobicContact CG2-CB 4.03Å; W36-K333 PolarHBondContact NE1-O 2.9Å; L40-K333 HydrophobicContact CD1-CB 3.8Å; L40-K333 HydrophobicContact CD1-CD 3.81Å; L40-K333 HydrophobicContact CD1-CG 4.03Å; Y329-K333 HydrophobicContact CD1-CG 4.39Å; Y329-K333 HydrophobicContact CD2-CG 4.3Å; Y329-K333 HydrophobicContact CE1-CG 4.06Å; Y329-K333 HydrophobicContact CE2-CD 4.48Å; Y329-K333 HydrophobicContact CE2-CG 3.96Å; Y329-K333 HydrophobicContact CG-CG 4.5Å; Y329-K333 WeakPolarHBondContact O-CB 3.39Å; Y329-K333 VanDerWaalsContact O-CG 3.29Å; Y329-K333 WeakPolarHBondContact O-CG 3.43Å; Y329-K333 PolarHBondContact O-N 2.82Å; M330-K333 PolarHBondContact O-N 2.98Å; L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 3.35Å
334S94.3Very high89.5Confident1 Ų150.1 Ų50.11%0.00723%0.234CC..SBendtrans-55.6147.5179.8680000113.1M330 L331 Y336 Q337 F338M330-S334 PolarHBondContact O-N 2.89Å; L331-S334 WeakPolarHBondContact O-CB 3.29Å; L331-S334 PolarHBondContact O-N 2.89Å; L331-S334 PolarHBondContact O-OG 2.93Å; S334-Y336 PolarHBondContact O-N 3.29Å; S334-Q337 PolarHBondContact O-N 3.42Å; S334-Q337 VanDerWaalsContact OG-CB 3.3Å; S334-Q337 WeakPolarHBondContact OG-CB 3.42Å; S334-Q337 PolarHBondContact OG-N 3.33Å; S334-Q337 VanDerWaalsContact OG-N 3.09Å; S334-F338 PolarHBondContact O-N 3.43Å; S334-F338 VanDerWaalsContact O-N 3.13Å
335F95.2Very high89.8Confident4 Ų445.2 Ų45.22%0.01822%0.218CC..Hα-helixtrans-64.7-33173.8-175.6-135.1000110E8 Q32 F33 W36 L305 Q337 F338 Q339E8-F335 HydrophobicContact CG-CB 4.29Å; E8-F335 VanDerWaalsContact OE2-CB 3.25Å; E8-F335 WeakPolarHBondContact OE2-CB 3.4Å; E8-F335 PolarHBondContact OE2-N 3.35Å; Q32-F335 HydrophobicContact CG-CE2 4.11Å; Q32-F335 HydrophobicContact CG-CZ 4.24Å; F33-F335 HydrophobicContact CB-CZ 4.46Å; F33-F335 HydrophobicContact CD2-CE1 4.46Å; F33-F335 HydrophobicContact CD2-CZ 4.39Å; W36-F335 HydrophobicContact CB-CD2 3.65Å; W36-F335 HydrophobicContact CB-CE2 3.9Å; W36-F335 HydrophobicContact CD2-CB 3.78Å; W36-F335 AromaticContact CD2-CD2 3.62Å; W36-F335 HydrophobicContact CD2-CD2 3.62Å; W36-F335 AromaticContact CD2-CG 3.99Å; W36-F335 HydrophobicContact CD2-CG 3.99Å; W36-F335 HydrophobicContact CE3-CB 4.04Å; W36-F335 AromaticContact CE3-CD2 3.91Å; W36-F335 HydrophobicContact CE3-CD2 3.91Å; W36-F335 HydrophobicContact CE3-CG 4.07Å; W36-F335 HydrophobicContact CG-CB 4.33Å; W36-F335 AromaticContact CG-CD2 3.51Å; W36-F335 HydrophobicContact CG-CD2 3.51Å; W36-F335 HydrophobicContact CG-CE2 4.26Å; W36-F335 HydrophobicContact CG-CG 4.32Å; W36-F335 HydrophobicContact CH2-CB 4.11Å; W36-F335 HydrophobicContact CZ2-CB 3.84Å; W36-F335 HydrophobicContact CZ3-CB 4.2Å; L305-F335 HydrophobicContact CG-CE1 4.33Å; L305-F335 WeakPolarHBondContact O-CE1 3Å; F335-Q337 PolarHBondContact O-N 3.36Å; F335-F338 HydrophobicContact CD2-CB 4.42Å; F335-F338 HydrophobicContact CD2-CD1 4.16Å; F335-F338 HydrophobicContact CE2-CD1 4.11Å; F335-F338 WeakPolarHBondContact O-CB 3.37Å; F335-F338 PolarHBondContact O-N 3.47Å; F335-Q339 HydrophobicContact CD1-CG 4.24Å; F335-Q339 HydrophobicContact CD2-CG 4Å; F335-Q339 HydrophobicContact CE1-CG 3.95Å; F335-Q339 HydrophobicContact CE2-CG 3.7Å; F335-Q339 HydrophobicContact CG-CG 4.27Å; F335-Q339 HydrophobicContact CZ-CG 3.67Å; F335-Q339 WeakPolarHBondContact O-CG 3.33Å; F335-Q339 PolarHBondContact O-N 3.46Å
336Y92Very high89.8Confident66 Ų6645 Ų4526%0.25923%0.228SC..Hα-helixtrans-50.7-56.9171.8-169-107.5000112S307 S334 F338 Q339 H340 L591S307-Y336 VanDerWaalsContact CB-N 3.31Å; S307-Y336 VanDerWaalsContact OG-CB 3.3Å; S307-Y336 WeakPolarHBondContact OG-CB 3.46Å; S307-Y336 PolarHBondContact OG-N 3.13Å; S334-Y336 PolarHBondContact O-N 3.29Å; Y336-F338 VanDerWaalsContact C-N 3.3Å; Y336-F338 PolarHBondContact O-N 2.88Å; Y336-Q339 PolarHBondContact O-N 3.17Å; Y336-H340 AromaticContact CD1-CD2 3.84Å; Y336-H340 AromaticContact CE1-CD2 3.63Å; Y336-H340 AromaticContact CE1-NE2 3.51Å; Y336-H340 AromaticContact CE2-NE2 3.44Å; Y336-H340 WeakPolarHBondContact CE2-NE2 3.5Å; Y336-H340 AromaticContact CZ-CD2 3.72Å; Y336-H340 AromaticContact CZ-NE2 3.12Å; Y336-H340 PolarHBondContact O-CD2 3.13Å; Y336-H340 PolarHBondContact O-N 2.78Å; Y336-H340 VanDerWaalsContact O-N 3.14Å; Y336-H340 PolarHBondContact OH-NE2 2.83Å; Y336-L591 HydrophobicContact CD1-CB 4.38Å; Y336-L591 HydrophobicContact CE1-CB 3.8Å; Y336-L591 HydrophobicContact CE1-CD1 3.94Å
337Q90.1Very high89.8Confident1 Ų142.7 Ų42.71%0.00522%0.216CC..Hα-helixtrans-63.2-38.6-179-170.959.452.800111.6L331 S334 F335 H340 Y341L331-Q337 WeakPolarHBondContact O-CB 3.18Å; S334-Q337 PolarHBondContact O-N 3.42Å; S334-Q337 VanDerWaalsContact OG-CB 3.3Å; S334-Q337 WeakPolarHBondContact OG-CB 3.42Å; S334-Q337 PolarHBondContact OG-N 3.33Å; S334-Q337 VanDerWaalsContact OG-N 3.09Å; F335-Q337 PolarHBondContact O-N 3.36Å; Q337-H340 PolarHBondContact O-N 3.18Å; Q337-Y341 HydrophobicContact CG-CD2 4.06Å; Q337-Y341 HydrophobicContact CG-CE2 3.55Å; Q337-Y341 PolarHBondContact NE2-OH 2.93Å; Q337-Y341 WeakPolarHBondContact O-CD2 3.38Å; Q337-Y341 PolarHBondContact O-N 3.06Å
338F92.4Very high89.9Confident31 Ų3146.2 Ų46.214%0.13624%0.237CC..Hα-helixtrans-61.2-44.8175.5-176.1-90.7000112.8Q32 E35 W36 H39 S334 F335 Y336 H340 Y341 R342Q32-F338 HydrophobicContact CG-CE1 4.19Å; E35-F338 HydrophobicContact CB-CE1 4.41Å; E35-F338 HydrophobicContact CB-CZ 3.91Å; W36-F338 HydrophobicContact CB-CD1 3.7Å; W36-F338 HydrophobicContact CB-CD2 4.29Å; W36-F338 HydrophobicContact CB-CE1 3.83Å; W36-F338 HydrophobicContact CB-CE2 4.41Å; W36-F338 HydrophobicContact CB-CG 3.94Å; W36-F338 HydrophobicContact CB-CZ 4.2Å; W36-F338 AromaticContact CD1-CG 3.75Å; W36-F338 HydrophobicContact CG-CB 4.34Å; W36-F338 HydrophobicContact CG-CD1 4.32Å; W36-F338 HydrophobicContact CG-CG 4.17Å; H39-F338 HydrophobicContact CB-CD2 4.44Å; H39-F338 HydrophobicContact CB-CE2 3.92Å; S334-F338 PolarHBondContact O-N 3.43Å; S334-F338 VanDerWaalsContact O-N 3.13Å; F335-F338 HydrophobicContact CD2-CB 4.42Å; F335-F338 HydrophobicContact CD2-CD1 4.16Å; F335-F338 HydrophobicContact CE2-CD1 4.11Å; F335-F338 WeakPolarHBondContact O-CB 3.37Å; F335-F338 PolarHBondContact O-N 3.47Å; Y336-F338 VanDerWaalsContact C-N 3.3Å; Y336-F338 PolarHBondContact O-N 2.88Å; F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 3.29Å; F338-Y341 PolarHBondContact O-N 2.76Å; F338-R342 WeakPolarHBondContact O-CB 3.46Å; F338-R342 PolarHBondContact O-N 2.92Å
339Q91.1Very high90Very high22 Ų2248.9 Ų48.910%0.10325%0.25CS..Hα-helixtrans-62-42.2177.8-69.7-167-59.500111.5L305 N306 F335 Y336 R342 A343L305-Q339 PolarHBondContact O-NE2 3.41Å; L305-Q339 VanDerWaalsContact O-NE2 3.12Å; N306-Q339 PolarHBondContact OD1-NE2 2.88Å; F335-Q339 HydrophobicContact CD1-CG 4.24Å; F335-Q339 HydrophobicContact CD2-CG 4Å; F335-Q339 HydrophobicContact CE1-CG 3.95Å; F335-Q339 HydrophobicContact CE2-CG 3.7Å; F335-Q339 HydrophobicContact CG-CG 4.27Å; F335-Q339 HydrophobicContact CZ-CG 3.67Å; F335-Q339 WeakPolarHBondContact O-CG 3.33Å; F335-Q339 PolarHBondContact O-N 3.46Å; Y336-Q339 PolarHBondContact O-N 3.17Å; Q339-R342 PolarHBondContact O-N 2.85Å; Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 3.04Å
340H86.8Confident90.1Very high58 Ų5850.2 Ų50.227%0.26926%0.257SS..Hα-helixtrans-63.2-44.3176.3-80.4-75.8000112.4Y336 Q337 F338 R342 A343 L344 L591Y336-H340 AromaticContact CD1-CD2 3.84Å; Y336-H340 AromaticContact CE1-CD2 3.63Å; Y336-H340 AromaticContact CE1-NE2 3.51Å; Y336-H340 AromaticContact CE2-NE2 3.44Å; Y336-H340 WeakPolarHBondContact CE2-NE2 3.5Å; Y336-H340 AromaticContact CZ-CD2 3.72Å; Y336-H340 AromaticContact CZ-NE2 3.12Å; Y336-H340 PolarHBondContact O-CD2 3.13Å; Y336-H340 PolarHBondContact O-N 2.78Å; Y336-H340 VanDerWaalsContact O-N 3.14Å; Y336-H340 PolarHBondContact OH-NE2 2.83Å; Q337-H340 PolarHBondContact O-N 3.18Å; F338-H340 VanDerWaalsContact C-N 3.34Å; F338-H340 PolarHBondContact O-N 3.29Å; H340-R342 VanDerWaalsContact C-N 3.35Å; H340-R342 PolarHBondContact O-N 2.93Å; H340-A343 PolarHBondContact O-N 3.17Å; H340-L344 PolarHBondContact O-N 3.26Å; H340-L591 HydrophobicContact CB-CD1 3.74Å; H340-L591 WeakPolarHBondContact CD2-CD1 3.3Å; H340-L591 WeakPolarHBondContact ND1-CD1 3.41Å; H340-L591 WeakPolarHBondContact NE2-CD1 3.23Å
341Y86.8Confident90.1Very high98 Ų9850.7 Ų50.738%0.38426%0.26SS..Hα-helixtrans-62.4-40.7175.5-72.5-33.1000112.7Q337 F338 A343 L344Q337-Y341 HydrophobicContact CG-CD2 4.06Å; Q337-Y341 HydrophobicContact CG-CE2 3.55Å; Q337-Y341 PolarHBondContact NE2-OH 2.93Å; Q337-Y341 WeakPolarHBondContact O-CD2 3.38Å; Q337-Y341 PolarHBondContact O-N 3.06Å; F338-Y341 PolarHBondContact O-N 2.76Å; Y341-A343 VanDerWaalsContact C-N 3.29Å; Y341-A343 PolarHBondContact O-N 3.49Å; Y341-L344 HydrophobicContact CD1-CD1 3.92Å; Y341-L344 WeakPolarHBondContact O-CB 3.37Å; Y341-L344 PolarHBondContact O-N 3.49Å
342R87.2Confident90.3Very high93 Ų9357 Ų5735%0.35129%0.287SS..Hα-helixtrans-67.8-28.9177.4-169.1-175.2-173.4131.55.4113.1E35 F338 Q339 H340 L344 P345E35-R342 VanDerWaalsContact CD-NH2 3.26Å; E35-R342 IonicContact OE1-CZ 3.05Å; E35-R342 IonicContact OE1-NH1 2.6Å; E35-R342 PolarHBondContact OE1-NH1 3.45Å; E35-R342 IonicContact OE1-NH2 3.02Å; E35-R342 PolarHBondContact OE1-NH2 3Å; E35-R342 IonicContact OE2-CZ 2.86Å; E35-R342 IonicContact OE2-NH1 2.69Å; E35-R342 PolarHBondContact OE2-NH1 2.95Å; E35-R342 IonicContact OE2-NH2 2.8Å; E35-R342 PolarHBondContact OE2-NH2 3.4Å; F338-R342 WeakPolarHBondContact O-CB 3.46Å; F338-R342 PolarHBondContact O-N 2.92Å; Q339-R342 PolarHBondContact O-N 2.85Å; H340-R342 VanDerWaalsContact C-N 3.35Å; H340-R342 PolarHBondContact O-N 2.93Å; R342-L344 VanDerWaalsContact C-N 3.32Å; R342-P345 VanDerWaalsContact O-CD 3.29Å; R342-P345 WeakPolarHBondContact O-CD 3.47Å
343A86.1Confident90.6Very high53 Ų5357.4 Ų57.444%0.43829%0.287SS..Hα-helixtrans-75.1-20.3177.800000113.2Q339 H340 Y341 G346 V347Q339-A343 WeakPolarHBondContact O-CB 3.24Å; Q339-A343 PolarHBondContact O-N 3.04Å; H340-A343 PolarHBondContact O-N 3.17Å; Y341-A343 VanDerWaalsContact C-N 3.29Å; Y341-A343 PolarHBondContact O-N 3.49Å; A343-G346 PolarHBondContact O-N 3Å; A343-G346 VanDerWaalsContact O-N 3.11Å; A343-V347 PolarHBondContact O-N 2.84Å
344L86.1Confident90.6Very high30 Ų3055.8 Ų55.816%0.15728%0.281CS..Hα-helixtrans-52.1-47.8-175.7-74.5172.8000114.4H340 Y341 R342 G346 V347 V348 L584 A587H340-L344 PolarHBondContact O-N 3.26Å; Y341-L344 HydrophobicContact CD1-CD1 3.92Å; Y341-L344 WeakPolarHBondContact O-CB 3.37Å; Y341-L344 PolarHBondContact O-N 3.49Å; R342-L344 VanDerWaalsContact C-N 3.32Å; L344-G346 VanDerWaalsContact C-N 3.28Å; L344-G346 PolarHBondContact O-N 3.09Å; L344-V347 PolarHBondContact O-N 2.7Å; L344-V347 VanDerWaalsContact O-N 3.17Å; L344-V348 WeakPolarHBondContact O-CG2 3.39Å; L344-V348 PolarHBondContact O-N 2.72Å; L344-L584 HydrophobicContact CD2-CD1 3.7Å; L344-A587 HydrophobicContact CD2-CB 3.39Å; L344-A587 HydrophobicContact CG-CB 4.31Å
345P88.7Confident90.6Very high86 Ų8658.6 Ų58.656%0.55829%0.294SS*.Hα-helixtrans-59.6-38.3179.9-24.136.3000112.8R342 V348 E349R342-P345 VanDerWaalsContact O-CD 3.29Å; R342-P345 WeakPolarHBondContact O-CD 3.47Å; P345-V348 PolarHBondContact O-N 2.79Å; P345-E349 PolarHBondContact O-N 3.17Å
346G88.3Confident90.5Very high42 Ų4262.4 Ų62.443%0.43332%0.315SS..Hα-helixtrans-67.1-37.2177.300000112.8A343 L344 E349 K350A343-G346 PolarHBondContact O-N 3Å; A343-G346 VanDerWaalsContact O-N 3.11Å; L344-G346 VanDerWaalsContact C-N 3.28Å; L344-G346 PolarHBondContact O-N 3.09Å; G346-E349 PolarHBondContact O-N 3.17Å; G346-K350 WeakPolarHBondContact O-CB 3.49Å; G346-K350 PolarHBondContact O-N 3.41Å
347V87.2Confident90.6Very high29 Ų2963.8 Ų63.818%0.17632%0.323CS..Hα-helixtrans-65.2-41.5173.31790000110.8A343 L344 K350 I351 L584A343-V347 PolarHBondContact O-N 2.84Å; L344-V347 PolarHBondContact O-N 2.7Å; L344-V347 VanDerWaalsContact O-N 3.17Å; V347-K350 PolarHBondContact O-N 2.82Å; V347-I351 HydrophobicContact CG1-CD1 4.06Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.25Å; V347-I351 PolarHBondContact O-N 3.36Å; V347-L584 HydrophobicContact CG1-CB 4.16Å; V347-L584 HydrophobicContact CG1-CD1 4.35Å
348V90.9Very high90.7Very high75 Ų7567.4 Ų67.446%0.45534%0.338SS..Hα-helixtrans-62.6-44.2176.11740000111.1L344 P345 I351 K352 L584L344-V348 WeakPolarHBondContact O-CG2 3.39Å; L344-V348 PolarHBondContact O-N 2.72Å; P345-V348 PolarHBondContact O-N 2.79Å; V348-I351 PolarHBondContact O-N 2.94Å; V348-K352 PolarHBondContact O-N 2.85Å; V348-L584 HydrophobicContact CG2-CD1 3.66Å; V348-L584 HydrophobicContact CG2-CD2 4.21Å
349E92.9Very high90.5Very high105 Ų10572.4 Ų72.449%0.49136%0.361SS..Hα-helixtrans-63.8-40.6176.1-165.9-170.2156.500111.9P345 G346 K352 K353P345-E349 PolarHBondContact O-N 3.17Å; G346-E349 PolarHBondContact O-N 3.17Å; E349-K352 PolarHBondContact O-N 3.38Å; E349-K353 WeakPolarHBondContact O-CG 3.18Å; E349-K353 PolarHBondContact O-N 3.3Å; E349-K353 WeakPolarHBondContact OE1-CE 3.5Å; E349-K353 IonicContact OE1-NZ 2.99Å; E349-K353 PolarHBondContact OE1-NZ 3.41Å
350K91.3Very high90.7Very high109 Ų10976.7 Ų76.747%0.47439%0.389SS..Hα-helixtrans-61.8-44.4175.1-177.7-179.1177.4-176.40111.8G346 V347 K352 K353 L354G346-K350 WeakPolarHBondContact O-CB 3.49Å; G346-K350 PolarHBondContact O-N 3.41Å; V347-K350 PolarHBondContact O-N 2.82Å; K350-K352 VanDerWaalsContact C-N 3.31Å; K350-K352 PolarHBondContact O-N 3.48Å; K350-K353 PolarHBondContact O-N 3.49Å; K350-L354 HydrophobicContact CG-CD1 4.02Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.34Å; K350-L354 WeakPolarHBondContact O-CG 3.08Å; K350-L354 PolarHBondContact O-N 2.71Å
351I92.4Very high90.8Very high12 Ų1275 Ų756%0.06238%0.381CS..Hα-helixtrans-57.9-47.9175.8-70.9163.6000109.7V347 V348 K353 L354 E355 A580 K581 L584V347-I351 HydrophobicContact CG1-CD1 4.06Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.25Å; V347-I351 PolarHBondContact O-N 3.36Å; V348-I351 PolarHBondContact O-N 2.94Å; I351-K353 PolarHBondContact O-N 3.3Å; I351-L354 PolarHBondContact O-N 2.85Å; I351-E355 HydrophobicContact CG2-CG 4.27Å; I351-E355 WeakPolarHBondContact O-CB 3.48Å; I351-E355 WeakPolarHBondContact O-CG 3.18Å; I351-E355 PolarHBondContact O-N 2.75Å; I351-A580 HydrophobicContact CD1-CB 4.27Å; I351-A580 HydrophobicContact CG1-CB 3.64Å; I351-K581 HydrophobicContact CD1-CG 4.03Å; I351-K581 HydrophobicContact CG1-CG 4.42Å; I351-K581 HydrophobicContact CG2-CG 4.28Å; I351-L584 HydrophobicContact CD1-CB 4.1Å; I351-L584 HydrophobicContact CD1-CD2 3.89Å
352K94.7Very high90.8Very high133 Ų13378.4 Ų78.458%0.57840%0.401SS*.Hα-helixtrans-58.1-48.9178.2-173.2178.4178.4-1780111.8V348 E349 K350 L354 E355 D356V348-K352 PolarHBondContact O-N 2.85Å; E349-K352 PolarHBondContact O-N 3.38Å; K350-K352 VanDerWaalsContact C-N 3.31Å; K350-K352 PolarHBondContact O-N 3.48Å; K352-L354 VanDerWaalsContact C-N 3.35Å; K352-L354 PolarHBondContact O-N 3.23Å; K352-E355 PolarHBondContact O-N 3.47Å; K352-D356 PolarHBondContact O-N 2.92Å
353K94.7Very high90.7Very high112 Ų11274.7 Ų74.749%0.48739%0.388SS..Hα-helixtrans-59.7-41.8177.4-73.5177.2-176.91680112.9E349 K350 I351 D356 Q357E349-K353 WeakPolarHBondContact O-CG 3.18Å; E349-K353 PolarHBondContact O-N 3.3Å; E349-K353 WeakPolarHBondContact OE1-CE 3.5Å; E349-K353 IonicContact OE1-NZ 2.99Å; E349-K353 PolarHBondContact OE1-NZ 3.41Å; K350-K353 PolarHBondContact O-N 3.49Å; I351-K353 PolarHBondContact O-N 3.3Å; K353-D356 PolarHBondContact O-N 3.23Å; K353-Q357 VanDerWaalsContact O-CG 3.31Å; K353-Q357 WeakPolarHBondContact O-CG 3.49Å; K353-Q357 PolarHBondContact O-N 3.36Å
354L93.9Very high90.5Very high12 Ų1276.2 Ų76.26%0.06339%0.393CS..Hα-helixtrans-70.1-36.5178.3-71.8171.5000112K350 I351 K352 Q357 Y358 I573 E576 V577K350-L354 HydrophobicContact CG-CD1 4.02Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.34Å; K350-L354 WeakPolarHBondContact O-CG 3.08Å; K350-L354 PolarHBondContact O-N 2.71Å; I351-L354 PolarHBondContact O-N 2.85Å; K352-L354 VanDerWaalsContact C-N 3.35Å; K352-L354 PolarHBondContact O-N 3.23Å; L354-Q357 PolarHBondContact O-N 3.18Å; L354-Y358 WeakPolarHBondContact O-CB 3.49Å; L354-Y358 PolarHBondContact O-N 3.07Å; L354-I573 HydrophobicContact CB-CG2 4.28Å; L354-I573 HydrophobicContact CD2-CG2 4.27Å; L354-I573 VanDerWaalsContact O-CG2 3.3Å; L354-I573 WeakPolarHBondContact O-CG2 3.33Å; L354-E576 HydrophobicContact CD1-CB 4.13Å; L354-V577 HydrophobicContact CB-CG2 3.5Å; L354-V577 HydrophobicContact CD1-CG2 4.37Å
355E93.6Very high90.3Very high60 Ų6081.2 Ų81.228%0.2842%0.42SS..Hα-helixtrans-63.5-44.5172.7-74.1176.5158.400110.8I351 K352 Q357 Y358 H359 V577 K581I351-E355 HydrophobicContact CG2-CG 4.27Å; I351-E355 WeakPolarHBondContact O-CB 3.48Å; I351-E355 WeakPolarHBondContact O-CG 3.18Å; I351-E355 PolarHBondContact O-N 2.75Å; K352-E355 PolarHBondContact O-N 3.47Å; E355-Q357 PolarHBondContact O-N 3.1Å; E355-Y358 WeakPolarHBondContact O-CB 3.35Å; E355-Y358 PolarHBondContact O-N 3.24Å; E355-Y358 VanDerWaalsContact O-N 3.17Å; E355-H359 PolarHBondContact O-CD2 3.14Å; E355-H359 PolarHBondContact O-N 3.32Å; E355-V577 HydrophobicContact CG-CG1 4.17Å; E355-V577 HydrophobicContact CG-CG2 4.34Å; E355-K581 WeakPolarHBondContact OE1-CE 3.49Å; E355-K581 IonicContact OE1-NZ 2.77Å; E355-K581 PolarHBondContact OE1-NZ 3.27Å
356D94.3Very high90.1Very high84 Ų8480.5 Ų80.545%0.44941%0.41SS..Hα-helixtrans-60.2-44.3175.2-65-25.1000111.3K352 K353 Y358 H359 T360K352-D356 PolarHBondContact O-N 2.92Å; K353-D356 PolarHBondContact O-N 3.23Å; D356-Y358 PolarHBondContact O-N 3.22Å; D356-H359 PolarHBondContact O-N 3.2Å; D356-T360 WeakPolarHBondContact O-CB 3.5Å; D356-T360 PolarHBondContact O-N 3.47Å; D356-T360 PolarHBondContact O-OG1 3.08Å
357Q92.6Very high89.9Confident95 Ų9586.5 Ų86.544%0.44443%0.426SS..Hα-helixtrans-63.1-39.7174.7-73.6176.41000112.5K353 L354 E355 H359 T360 I361 I573K353-Q357 VanDerWaalsContact O-CG 3.31Å; K353-Q357 WeakPolarHBondContact O-CG 3.49Å; K353-Q357 PolarHBondContact O-N 3.36Å; L354-Q357 PolarHBondContact O-N 3.18Å; E355-Q357 PolarHBondContact O-N 3.1Å; Q357-H359 VanDerWaalsContact C-N 3.34Å; Q357-T360 PolarHBondContact O-N 3.48Å; Q357-I361 WeakPolarHBondContact O-CG1 3.16Å; Q357-I361 PolarHBondContact O-N 3.48Å; Q357-I573 HydrophobicContact CB-CD1 4.3Å
358Y91.8Very high89.9Confident77 Ų7786.9 Ų86.930%0.30243%0.43SS..Hα-helixtrans-62.4-42176.4179.7-91.2000111.6L354 E355 D356 K570 I573 A574L354-Y358 WeakPolarHBondContact O-CB 3.49Å; L354-Y358 PolarHBondContact O-N 3.07Å; E355-Y358 WeakPolarHBondContact O-CB 3.35Å; E355-Y358 PolarHBondContact O-N 3.24Å; E355-Y358 VanDerWaalsContact O-N 3.17Å; D356-Y358 PolarHBondContact O-N 3.22Å; Y358-K570 HydrophobicContact CD2-CG 3.68Å; Y358-K570 HydrophobicContact CE2-CD 4.18Å; Y358-K570 HydrophobicContact CE2-CG 3.39Å; Y358-I573 HydrophobicContact CD2-CG2 4.47Å; Y358-A574 HydrophobicContact CD2-CB 4.11Å; Y358-A574 HydrophobicContact CE2-CB 3.75Å
359H90.1Very high89.8Confident136 Ų13683.4 Ų83.463%0.6341%0.409SS*.Hα-helixtrans-73.2-26.3178-69.7-56.4000113.4E355 D356 Q357 I361E355-H359 PolarHBondContact O-CD2 3.14Å; E355-H359 PolarHBondContact O-N 3.32Å; D356-H359 PolarHBondContact O-N 3.2Å; Q357-H359 VanDerWaalsContact C-N 3.34Å; H359-I361 VanDerWaalsContact C-N 3.31Å
360T93.6Very high89.6Confident111 Ų11180.2 Ų80.268%0.68140%0.397SS*.Hα-helixtrans-71-25.8176.5-55.30000112.5D356 Q357 E362D356-T360 WeakPolarHBondContact O-CB 3.5Å; D356-T360 PolarHBondContact O-N 3.47Å; D356-T360 PolarHBondContact O-OG1 3.08Å; Q357-T360 PolarHBondContact O-N 3.48Å; T360-E362 PolarHBondContact O-N 2.94Å
361I89.8Confident89.5Confident23 Ų2377.7 Ų77.712%0.11839%0.39CS..  trans-82.1100.1-179.5-60.5165.2000109.9Q357 H359 I363 L566 R569 K570 I573Q357-I361 WeakPolarHBondContact O-CG1 3.16Å; Q357-I361 PolarHBondContact O-N 3.48Å; H359-I361 VanDerWaalsContact C-N 3.31Å; I361-I363 HydrophobicContact CG2-CD1 4.48Å; I361-I363 HydrophobicContact CG2-CG1 4.05Å; I361-L566 HydrophobicContact CG2-CB 4.45Å; I361-L566 HydrophobicContact CG2-CD2 4.41Å; I361-R569 HydrophobicContact CD1-CG 4.16Å; I361-K570 HydrophobicContact CB-CD 4.39Å; I361-K570 HydrophobicContact CD1-CB 4.41Å; I361-K570 HydrophobicContact CG2-CB 4.19Å; I361-K570 HydrophobicContact CG2-CD 4.2Å; I361-K570 PolarHBondContact O-NZ 3.08Å; I361-K570 VanDerWaalsContact O-NZ 3.1Å; I361-I573 HydrophobicContact CD1-CD1 3.5Å; I361-I573 VanDerWaalsContact CD1-CD1 3.5Å
362E86.2Confident89.4Confident169 Ų16977.3 Ų77.379%0.7939%0.388SS*.  trans-89.7126.8170.7-64.8-173.2173.200110.5T360T360-E362 PolarHBondContact O-N 2.94Å
363I86.3Confident89.1Confident15 Ų1571.7 Ų71.78%0.07736%0.364CS..  trans-113.9119.6-179.9-57.3177.9000107.8I361 N365 E366 V369 V563 L566 C567 K570I361-I363 HydrophobicContact CG2-CD1 4.48Å; I361-I363 HydrophobicContact CG2-CG1 4.05Å; I363-N365 PolarHBondContact O-N 3.02Å; I363-E366 HydrophobicContact CB-CB 4.11Å; I363-E366 HydrophobicContact CB-CG 4.25Å; I363-E366 HydrophobicContact CG2-CB 4.43Å; I363-E366 PolarHBondContact O-N 3.38Å; I363-V369 HydrophobicContact CG2-CB 4.12Å; I363-V369 HydrophobicContact CG2-CG1 4.16Å; I363-V369 HydrophobicContact CG2-CG2 3.98Å; I363-V563 HydrophobicContact CG2-CG1 3.91Å; I363-L566 HydrophobicContact CG1-CB 4.26Å; I363-C567 HydrophobicContact CD1-CB 3.99Å; I363-K570 HydrophobicContact CD1-CB 4.12Å; I363-K570 HydrophobicContact CD1-CD 3.57Å; I363-K570 HydrophobicContact CD1-CG 4.47Å; I363-K570 HydrophobicContact CG1-CD 4.2Å
364P81.8Confident88.9Confident86 Ų8672.2 Ų72.256%0.55837%0.366SS*.THydrogen-bonded Turntrans-58.6131.9172.2-22.833.5000110.7E366 V369P364-E366 VanDerWaalsContact C-N 3.29Å; P364-E366 PolarHBondContact O-N 3.19Å; P364-V369 WeakPolarHBondContact O-CG2 3.45Å
365N81.8Confident88.9Confident134 Ų13471.9 Ų71.972%0.71736%0.364SS*.THydrogen-bonded Turntrans51.644-178.5-60.8-29.8000113.6I363 E367 S368 V369I363-N365 PolarHBondContact O-N 3.02Å; N365-E367 PolarHBondContact O-N 3.19Å; N365-S368 PolarHBondContact O-N 3.35Å; N365-V369 PolarHBondContact O-N 3.22Å
366E83.4Confident88.7Confident72 Ų7273.3 Ų73.334%0.33637%0.367SS..Hα-helixtrans-45.2-42.5-172.6-176167-174.200114.1I363 P364 S368 V369 V370 K570I363-E366 HydrophobicContact CB-CB 4.11Å; I363-E366 HydrophobicContact CB-CG 4.25Å; I363-E366 HydrophobicContact CG2-CB 4.43Å; I363-E366 PolarHBondContact O-N 3.38Å; P364-E366 VanDerWaalsContact C-N 3.29Å; P364-E366 PolarHBondContact O-N 3.19Å; E366-S368 PolarHBondContact O-N 3.44Å; E366-V369 PolarHBondContact O-N 3.47Å; E366-V370 HydrophobicContact CG-CG2 3.98Å; E366-V370 WeakPolarHBondContact O-CB 3.33Å; E366-V370 WeakPolarHBondContact O-CG2 3.44Å; E366-V370 PolarHBondContact O-N 3.05Å; E366-K570 VanDerWaalsContact OE1-CE 3.3Å; E366-K570 WeakPolarHBondContact OE1-CE 3.45Å; E366-K570 IonicContact OE1-NZ 3.42Å; E366-K570 PolarHBondContact OE1-NZ 2.69Å; E366-K570 IonicContact OE2-NZ 3.76Å; E366-K570 PolarHBondContact OE2-NZ 3.36Å
367E84.9Confident88.5Confident168 Ų16874.1 Ų74.179%0.78537%0.368SS*.Hα-helixtrans-61.9-40.8-178.5-170.5175.6-170.600113.3N365 T371N365-E367 PolarHBondContact O-N 3.19Å; E367-T371 WeakPolarHBondContact O-CB 3.32Å; E367-T371 PolarHBondContact O-N 2.77Å; E367-T371 VanDerWaalsContact O-N 3.11Å; E367-T371 PolarHBondContact O-OG1 2.99Å
368S87.4Confident88.4Confident36 Ų3673.2 Ų73.225%0.25236%0.364SS..Hα-helixtrans-69.7-42.5177.9-173.10000110.9N365 E366 T371 Y372 H552N365-S368 PolarHBondContact O-N 3.35Å; E366-S368 PolarHBondContact O-N 3.44Å; S368-T371 WeakPolarHBondContact O-CB 3.46Å; S368-T371 PolarHBondContact O-N 2.77Å; S368-Y372 PolarHBondContact O-N 2.86Å; S368-H552 PolarHBondContact O-CE1 3.17Å; S368-H552 PolarHBondContact O-NE2 3.05Å; S368-H552 PolarHBondContact OG-CE1 3.13Å
369V88.1Confident88.4Confident3 Ų370.9 Ų70.92%0.01836%0.356CS..Hα-helixtrans-64.4-45.6178.3-178.10000111.4I363 P364 N365 E366 T371 Y372 F373 L554 V563 C567I363-V369 HydrophobicContact CG2-CB 4.12Å; I363-V369 HydrophobicContact CG2-CG1 4.16Å; I363-V369 HydrophobicContact CG2-CG2 3.98Å; P364-V369 WeakPolarHBondContact O-CG2 3.45Å; N365-V369 PolarHBondContact O-N 3.22Å; E366-V369 PolarHBondContact O-N 3.47Å; V369-T371 PolarHBondContact O-N 2.73Å; V369-Y372 PolarHBondContact O-N 3.39Å; V369-F373 WeakPolarHBondContact O-CB 3.33Å; V369-F373 PolarHBondContact O-N 3.19Å; V369-L554 HydrophobicContact CB-CD1 4.01Å; V369-L554 HydrophobicContact CG2-CD1 3.6Å; V369-L554 HydrophobicContact CG2-CD2 4.45Å; V369-V563 HydrophobicContact CB-CG1 4.09Å; V369-V563 HydrophobicContact CG1-CG1 3.66Å; V369-V563 HydrophobicContact CG2-CG1 3.25Å; V369-C567 HydrophobicContact CG1-CB 3.58Å
370V89Confident88.3Confident38 Ų3867.4 Ų67.423%0.2335%0.352CS..Hα-helixtrans-62-36.3177168.70000110.7E366 F373 K374E366-V370 HydrophobicContact CG-CG2 3.98Å; E366-V370 WeakPolarHBondContact O-CB 3.33Å; E366-V370 WeakPolarHBondContact O-CG2 3.44Å; E366-V370 PolarHBondContact O-N 3.05Å; V370-F373 PolarHBondContact O-N 3.33Å; V370-K374 HydrophobicContact CG1-CD 4.2Å; V370-K374 WeakPolarHBondContact O-CB 3.28Å; V370-K374 VanDerWaalsContact O-CG 3.29Å; V370-K374 WeakPolarHBondContact O-CG 3.42Å; V370-K374 PolarHBondContact O-N 2.73Å
371T89.9Confident88.1Confident55 Ų5567.8 Ų67.834%0.33734%0.344SS..Hα-helixtrans-65.7-47.5176-60.20000111.3E367 S368 V369 F373 K374 I375E367-T371 WeakPolarHBondContact O-CB 3.32Å; E367-T371 PolarHBondContact O-N 2.77Å; E367-T371 VanDerWaalsContact O-N 3.11Å; E367-T371 PolarHBondContact O-OG1 2.99Å; S368-T371 WeakPolarHBondContact O-CB 3.46Å; S368-T371 PolarHBondContact O-N 2.77Å; V369-T371 PolarHBondContact O-N 2.73Å; T371-F373 VanDerWaalsContact C-N 3.34Å; T371-F373 PolarHBondContact O-N 3.47Å; T371-K374 PolarHBondContact O-N 3.44Å; T371-I375 HydrophobicContact CG2-CD1 4.33Å; T371-I375 WeakPolarHBondContact O-CG1 3.44Å; T371-I375 PolarHBondContact O-N 3.3Å
372Y89.6Confident88.2Confident4 Ų467 Ų672%0.01634%0.34CS..Hα-helixtrans-60.6-42.3174.3-174.2-97.4000112.5S368 V369 K374 I375 R376 M549 H552 L554 H555 L560 Y564S368-Y372 PolarHBondContact O-N 2.86Å; V369-Y372 PolarHBondContact O-N 3.39Å; Y372-K374 PolarHBondContact O-N 2.83Å; Y372-I375 WeakPolarHBondContact O-CB 3.45Å; Y372-I375 PolarHBondContact O-N 3.09Å; Y372-R376 VanDerWaalsContact CE1-CD 3.41Å; Y372-R376 HydrophobicContact CE1-CG 4.07Å; Y372-R376 PolarHBondContact O-N 2.86Å; Y372-M549 HydrophobicContact CD2-CG 4.49Å; Y372-M549 HydrophobicContact CE2-CG 3.6Å; Y372-H552 HydrophobicContact CD2-CB 3.88Å; Y372-H552 AromaticContact CD2-CG 3.78Å; Y372-H552 AromaticContact CD2-ND1 3.73Å; Y372-H552 HydrophobicContact CE2-CB 4.38Å; Y372-L554 HydrophobicContact CD2-CB 4.46Å; Y372-L554 HydrophobicContact CG-CB 4.4Å; Y372-H555 HydrophobicContact CE2-CB 3.92Å; Y372-H555 AromaticContact CE2-ND1 3.9Å; Y372-H555 AromaticContact CZ-ND1 3.82Å; Y372-H555 PolarHBondContact OH-ND1 3.35Å; Y372-L560 HydrophobicContact CD1-CD1 3.82Å; Y372-L560 HydrophobicContact CE1-CD1 3.44Å; Y372-L560 VanDerWaalsContact CE1-CD1 3.44Å; Y372-L560 HydrophobicContact CE1-CD2 4.18Å; Y372-L560 HydrophobicContact CE1-CG 4.37Å; Y372-Y564 HydrophobicContact CD1-CD2 4.03Å; Y372-Y564 HydrophobicContact CD1-CE2 4.31Å; Y372-Y564 HydrophobicContact CE1-CD2 4.18Å; Y372-Y564 HydrophobicContact CE1-CE2 4.41Å
373F89.4Confident88.4Confident16 Ų1660.3 Ų60.37%0.0732%0.316CS..Hα-helixtrans-60.2-45.5175.8179.1-96.5000112.4V369 V370 T371 I375 R376 Q377 Y564 E568 A571V369-F373 WeakPolarHBondContact O-CB 3.33Å; V369-F373 PolarHBondContact O-N 3.19Å; V370-F373 PolarHBondContact O-N 3.33Å; T371-F373 VanDerWaalsContact C-N 3.34Å; T371-F373 PolarHBondContact O-N 3.47Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 2.91Å; F373-R376 PolarHBondContact O-N 3.2Å; F373-Q377 HydrophobicContact CD1-CG 4.31Å; F373-Q377 HydrophobicContact CE1-CG 3.93Å; F373-Q377 HydrophobicContact CZ-CG 4.1Å; F373-Q377 PolarHBondContact O-N 3.33Å; F373-Y564 HydrophobicContact CB-CE2 4.21Å; F373-Y564 HydrophobicContact CD2-CD2 4.2Å; F373-Y564 HydrophobicContact CD2-CE1 4.45Å; F373-Y564 AromaticContact CD2-CE2 3.54Å; F373-Y564 HydrophobicContact CD2-CE2 3.54Å; F373-Y564 AromaticContact CD2-CZ 3.68Å; F373-Y564 HydrophobicContact CE2-CE2 4.41Å; F373-Y564 HydrophobicContact CG-CE2 4.32Å; F373-E568 HydrophobicContact CE2-CB 3.97Å; F373-E568 HydrophobicContact CE2-CG 4.26Å; F373-A571 HydrophobicContact CE1-CB 3.89Å; F373-A571 HydrophobicContact CZ-CB 3.9Å
374K90.5Very high88.4Confident122 Ų12266.4 Ų66.453%0.5334%0.342SS..Hα-helixtrans-61.4-38.8174.9-75.9172.3-177.8171.90112V370 T371 Y372 Q377 Q378V370-K374 HydrophobicContact CG1-CD 4.2Å; V370-K374 WeakPolarHBondContact O-CB 3.28Å; V370-K374 VanDerWaalsContact O-CG 3.29Å; V370-K374 WeakPolarHBondContact O-CG 3.42Å; V370-K374 PolarHBondContact O-N 2.73Å; T371-K374 PolarHBondContact O-N 3.44Å; Y372-K374 PolarHBondContact O-N 2.83Å; K374-Q377 PolarHBondContact O-N 3.01Å; K374-Q378 WeakPolarHBondContact O-CG 3.35Å; K374-Q378 PolarHBondContact O-N 3.47Å
375I91.9Very high88.8Confident5 Ų564.8 Ų64.83%0.02633%0.327CS..Hα-helixtrans-60.8-49.8176-68.8164.3000110.2T371 Y372 F373 Q377 Q378 L379 F545 R548 M549T371-I375 HydrophobicContact CG2-CD1 4.33Å; T371-I375 WeakPolarHBondContact O-CG1 3.44Å; T371-I375 PolarHBondContact O-N 3.3Å; Y372-I375 WeakPolarHBondContact O-CB 3.45Å; Y372-I375 PolarHBondContact O-N 3.09Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 2.91Å; I375-Q377 PolarHBondContact O-N 3.39Å; I375-Q378 PolarHBondContact O-N 3.48Å; I375-L379 HydrophobicContact CG2-CD1 4.27Å; I375-L379 PolarHBondContact O-N 3.22Å; I375-F545 HydrophobicContact CG1-CD1 4.29Å; I375-F545 HydrophobicContact CG2-CD1 4.14Å; I375-F545 WeakPolarHBondContact CG2-O 3.36Å; I375-R548 HydrophobicContact CD1-CB 4.33Å; I375-M549 HydrophobicContact CG2-CB 3.84Å; I375-M549 HydrophobicContact CG2-CG 4.44Å
376R90.1Very high89.1Confident90 Ų9059.8 Ų59.834%0.3430%0.3SS..Hα-helixtrans-61.9-39.4177-71.9-172.372.3177.410.7112.7Y372 F373 L379 A380 M549 Y564Y372-R376 VanDerWaalsContact CE1-CD 3.41Å; Y372-R376 HydrophobicContact CE1-CG 4.07Å; Y372-R376 PolarHBondContact O-N 2.86Å; F373-R376 PolarHBondContact O-N 3.2Å; R376-L379 PolarHBondContact O-N 3.42Å; R376-A380 PolarHBondContact O-N 2.97Å; R376-M549 HydrophobicContact CG-SD 3.96Å; R376-Y564 HydrophobicContact CB-CE2 4.33Å; R376-Y564 HydrophobicContact CG-CE2 4.41Å
377Q89.8Confident89.2Confident101 Ų10159.1 Ų59.147%0.47230%0.297SS..Hα-helixtrans-63.4-40.8173.9-78-162.2-15.900112.9F373 K374 I375 A380 K381F373-Q377 HydrophobicContact CD1-CG 4.31Å; F373-Q377 HydrophobicContact CE1-CG 3.93Å; F373-Q377 HydrophobicContact CZ-CG 4.1Å; F373-Q377 PolarHBondContact O-N 3.33Å; K374-Q377 PolarHBondContact O-N 3.01Å; I375-Q377 PolarHBondContact O-N 3.39Å; Q377-A380 PolarHBondContact O-N 3.31Å; Q377-K381 PolarHBondContact O-N 2.67Å
378Q91.9Very high89.3Confident77 Ų7757.4 Ų57.436%0.3629%0.289SS..Hα-helixtrans-66.7-40.4176.3-70.7-55.3-44.100111.7K374 I375 A380 K381 L382 F545K374-Q378 WeakPolarHBondContact O-CG 3.35Å; K374-Q378 PolarHBondContact O-N 3.47Å; I375-Q378 PolarHBondContact O-N 3.48Å; Q378-A380 PolarHBondContact O-N 2.92Å; Q378-K381 PolarHBondContact O-N 2.81Å; Q378-L382 WeakPolarHBondContact O-CB 3.31Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 3.25Å; Q378-F545 HydrophobicContact CB-CD1 4.42Å; Q378-F545 HydrophobicContact CB-CE1 4.17Å; Q378-F545 HydrophobicContact CB-CE2 4.45Å; Q378-F545 HydrophobicContact CB-CZ 4.2Å; Q378-F545 HydrophobicContact CG-CE1 4.34Å; Q378-F545 HydrophobicContact CG-CZ 4.27Å
379L91Very high89.4Confident27 Ų2757.3 Ų57.314%0.14128%0.284CS..Hα-helixtrans-59.6-45.6173.4-75.8172000111.7I375 R376 K381 L382 G383 V542 F545 E546 M549I375-L379 HydrophobicContact CG2-CD1 4.27Å; I375-L379 PolarHBondContact O-N 3.22Å; R376-L379 PolarHBondContact O-N 3.42Å; L379-K381 VanDerWaalsContact C-N 3.3Å; L379-K381 PolarHBondContact O-N 3.36Å; L379-L382 PolarHBondContact O-N 3.41Å; L379-G383 PolarHBondContact O-N 2.69Å; L379-V542 HydrophobicContact CD2-CG1 4.05Å; L379-F545 HydrophobicContact CD2-CB 3.57Å; L379-F545 HydrophobicContact CG-CB 3.89Å; L379-E546 HydrophobicContact CD1-CG 4.25Å; L379-E546 HydrophobicContact CD2-CG 3.84Å; L379-M549 HydrophobicContact CD1-CB 4.4Å; L379-M549 HydrophobicContact CD1-CE 4.27Å; L379-M549 HydrophobicContact CD1-SD 3.73Å
380A87.8Confident89.4Confident64 Ų6458.1 Ų58.153%0.52929%0.288SS..Hα-helixtrans-60.9-38.517600000112.4R376 Q377 Q378 K384R376-A380 PolarHBondContact O-N 2.97Å; Q377-A380 PolarHBondContact O-N 3.31Å; Q378-A380 PolarHBondContact O-N 2.92Å; A380-K384 PolarHBondContact O-N 3.32Å
381K90.4Very high89.2Confident118 Ų11857.9 Ų57.951%0.51328%0.284SS..Hα-helixtrans-66.9-48.9175.4-175.3-176.5173-172.90111.9Q377 Q378 L379 G383 K384 E385Q377-K381 PolarHBondContact O-N 2.67Å; Q378-K381 PolarHBondContact O-N 2.81Å; L379-K381 VanDerWaalsContact C-N 3.3Å; L379-K381 PolarHBondContact O-N 3.36Å; K381-G383 VanDerWaalsContact C-N 3.27Å; K381-G383 PolarHBondContact O-N 3.33Å; K381-K384 WeakPolarHBondContact O-CB 3.21Å; K381-K384 PolarHBondContact O-N 3.44Å; K381-K384 VanDerWaalsContact O-N 3.12Å; K381-E385 WeakPolarHBondContact CE-OE1 3.47Å; K381-E385 PolarHBondContact O-N 3.24Å; K381-E385 VanDerWaalsContact O-N 3.08Å
382L91.9Very high89Confident7 Ų759.3 Ų59.34%0.03729%0.286CS..Hα-helixtrans-62.9-35178.6-68.9167.4000111.6Q378 L379 K384 E385 I386 V538 K541 V542 F545Q378-L382 WeakPolarHBondContact O-CB 3.31Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 3.25Å; L379-L382 PolarHBondContact O-N 3.41Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.47Å; L382-E385 WeakPolarHBondContact O-CB 3.46Å; L382-E385 PolarHBondContact O-N 3.37Å; L382-E385 VanDerWaalsContact O-N 3.17Å; L382-I386 WeakPolarHBondContact O-CG1 3.1Å; L382-I386 PolarHBondContact O-N 3.35Å; L382-V538 HydrophobicContact CB-CG1 4.32Å; L382-V538 HydrophobicContact CD2-CG1 4.04Å; L382-K541 HydrophobicContact CD1-CB 3.93Å; L382-K541 HydrophobicContact CD2-CB 4.28Å; L382-K541 HydrophobicContact CD2-CD 4.21Å; L382-V542 HydrophobicContact CB-CG2 3.55Å; L382-V542 HydrophobicContact CD1-CG2 4.05Å; L382-V542 HydrophobicContact CG-CG2 4.38Å; L382-F545 HydrophobicContact CD1-CD2 3.74Å; L382-F545 HydrophobicContact CD1-CE2 4.21Å
383G88.8Confident89Confident29 Ų2961 Ų6130%0.29930%0.297SS..Hα-helixtrans-60.4-39.7172.600000112.9L379 K381 I386 Q387L379-G383 PolarHBondContact O-N 2.69Å; K381-G383 VanDerWaalsContact C-N 3.27Å; K381-G383 PolarHBondContact O-N 3.33Å; G383-I386 PolarHBondContact O-N 3.41Å; G383-Q387 WeakPolarHBondContact O-CG 3.37Å; G383-Q387 PolarHBondContact O-N 3.36Å; G383-Q387 VanDerWaalsContact O-N 3.12Å
384K87.2Confident88.9Confident142 Ų14268 Ų6862%0.61733%0.328SS*.Hα-helixtrans-65.8-40.5172.2-68.7-176.2179.5-172.20112A380 K381 L382 I386 Q387 E388A380-K384 PolarHBondContact O-N 3.32Å; K381-K384 WeakPolarHBondContact O-CB 3.21Å; K381-K384 PolarHBondContact O-N 3.44Å; K381-K384 VanDerWaalsContact O-N 3.12Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.47Å; K384-I386 VanDerWaalsContact C-N 3.32Å; K384-I386 PolarHBondContact O-N 3.2Å; K384-Q387 WeakPolarHBondContact O-CB 3.42Å; K384-Q387 PolarHBondContact O-N 2.99Å; K384-Q387 VanDerWaalsContact O-N 3.15Å; K384-E388 PolarHBondContact O-N 3.48Å; K384-E388 VanDerWaalsContact O-N 3.08Å
385E89.3Confident88.9Confident53 Ų5364 Ų6425%0.24831%0.309CS..Hα-helixtrans-60.3-41175.1-67.7178.2-160.200111.2K381 L382 Q387 E388 F389 V538K381-E385 WeakPolarHBondContact CE-OE1 3.47Å; K381-E385 PolarHBondContact O-N 3.24Å; K381-E385 VanDerWaalsContact O-N 3.08Å; L382-E385 WeakPolarHBondContact O-CB 3.46Å; L382-E385 PolarHBondContact O-N 3.37Å; L382-E385 VanDerWaalsContact O-N 3.17Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.32Å; E385-E388 WeakPolarHBondContact O-CB 3.27Å; E385-E388 PolarHBondContact O-N 2.99Å; E385-F389 WeakPolarHBondContact O-CD2 3.07Å; E385-F389 PolarHBondContact O-N 2.84Å; E385-V538 HydrophobicContact CB-CG1 4.18Å
386I88.6Confident88.8Confident29 Ų2963.8 Ų63.815%0.14931%0.309CS..Hα-helixtrans-60.5-43.8173.8-67.8174.3000111.1L382 G383 K384 E388 F389 I390 P524 L535 V538 I539 V542L382-I386 WeakPolarHBondContact O-CG1 3.1Å; L382-I386 PolarHBondContact O-N 3.35Å; G383-I386 PolarHBondContact O-N 3.41Å; K384-I386 VanDerWaalsContact C-N 3.32Å; K384-I386 PolarHBondContact O-N 3.2Å; I386-E388 VanDerWaalsContact C-N 3.29Å; I386-E388 PolarHBondContact O-N 3.48Å; I386-F389 PolarHBondContact O-N 2.87Å; I386-F389 VanDerWaalsContact O-N 3.12Å; I386-I390 HydrophobicContact CG2-CD1 3.89Å; I386-I390 HydrophobicContact CG2-CG1 4.42Å; I386-I390 WeakPolarHBondContact O-CG1 3.04Å; I386-I390 PolarHBondContact O-N 3.03Å; I386-I390 VanDerWaalsContact O-N 3.15Å; I386-P524 HydrophobicContact CG2-CG 4.24Å; I386-L535 HydrophobicContact CB-CD1 4.47Å; I386-L535 HydrophobicContact CG1-CD1 4.14Å; I386-L535 HydrophobicContact CG2-CD1 4.24Å; I386-V538 HydrophobicContact CD1-CG1 4.21Å; I386-V538 HydrophobicContact CG1-CB 4.49Å; I386-V538 HydrophobicContact CG1-CG1 3.59Å; I386-I539 HydrophobicContact CD1-CG1 4.08Å; I386-V542 HydrophobicContact CD1-CG2 3.93Å
387Q86.3Confident88.7Confident58 Ų5860.9 Ų60.927%0.27130%0.3SS..Hα-helixtrans-59.2-38.8177.6-72.7174.3-1600112.3G383 K384 E385 F389 I390 H391 T482G383-Q387 WeakPolarHBondContact O-CG 3.37Å; G383-Q387 PolarHBondContact O-N 3.36Å; G383-Q387 VanDerWaalsContact O-N 3.12Å; K384-Q387 WeakPolarHBondContact O-CB 3.42Å; K384-Q387 PolarHBondContact O-N 2.99Å; K384-Q387 VanDerWaalsContact O-N 3.15Å; E385-Q387 VanDerWaalsContact C-N 3.34Å; E385-Q387 PolarHBondContact O-N 3.32Å; Q387-F389 VanDerWaalsContact C-N 3.27Å; Q387-F389 PolarHBondContact O-N 3.5Å; Q387-I390 PolarHBondContact O-N 3.41Å; Q387-I390 VanDerWaalsContact O-N 3.14Å; Q387-H391 WeakPolarHBondContact O-CB 3.4Å; Q387-H391 PolarHBondContact O-CD2 3.04Å; Q387-H391 PolarHBondContact O-N 2.8Å; Q387-H391 PolarHBondContact O-ND1 3.42Å; Q387-T482 PolarHBondContact NE2-O 2.91Å; Q387-T482 VanDerWaalsContact NE2-O 3.14Å
388E87Confident88.9Confident132 Ų13259.7 Ų59.762%0.61730%0.301SS*.Hα-helixtrans-60.5-34.4176.2-69.9177.1-175.800112.9K384 E385 I386K384-E388 PolarHBondContact O-N 3.48Å; K384-E388 VanDerWaalsContact O-N 3.08Å; E385-E388 WeakPolarHBondContact O-CB 3.27Å; E385-E388 PolarHBondContact O-N 2.99Å; I386-E388 VanDerWaalsContact C-N 3.29Å; I386-E388 PolarHBondContact O-N 3.48Å
389F88.7Confident88.9Confident33 Ų3358 Ų5815%0.14529%0.292CS..Hα-helixtrans-70.4-44.6173-71.2-83.3000111.7E385 I386 Q387 H391 K392 Y395 D532 L535 V538E385-F389 WeakPolarHBondContact O-CD2 3.07Å; E385-F389 PolarHBondContact O-N 2.84Å; I386-F389 PolarHBondContact O-N 2.87Å; I386-F389 VanDerWaalsContact O-N 3.12Å; Q387-F389 VanDerWaalsContact C-N 3.27Å; Q387-F389 PolarHBondContact O-N 3.5Å; F389-H391 VanDerWaalsContact C-N 3.32Å; F389-H391 PolarHBondContact O-N 3.24Å; F389-K392 PolarHBondContact O-N 3.48Å; F389-Y395 WeakPolarHBondContact O-CD2 3.19Å; F389-D532 HydrophobicContact CD1-CB 4.4Å; F389-D532 HydrophobicContact CE1-CB 4.37Å; F389-L535 HydrophobicContact CB-CD1 4.16Å; F389-L535 HydrophobicContact CB-CD2 4.49Å; F389-L535 HydrophobicContact CD1-CB 4.18Å; F389-L535 HydrophobicContact CD2-CB 4.28Å; F389-L535 HydrophobicContact CD2-CD1 3.98Å; F389-L535 HydrophobicContact CE1-CB 4.44Å; F389-L535 HydrophobicContact CG-CB 4.11Å; F389-L535 HydrophobicContact CG-CD1 4.17Å; F389-V538 HydrophobicContact CE2-CG2 4.38Å
390I87.6Confident89Confident20 Ų2056.8 Ų56.810%0.10329%0.286CS..Hα-helixtrans-60.7-42.3179.7-65.4171.1000110.8I386 Q387 K392 C396 I484 P524 M528I386-I390 HydrophobicContact CG2-CD1 3.89Å; I386-I390 HydrophobicContact CG2-CG1 4.42Å; I386-I390 WeakPolarHBondContact O-CG1 3.04Å; I386-I390 PolarHBondContact O-N 3.03Å; I386-I390 VanDerWaalsContact O-N 3.15Å; Q387-I390 PolarHBondContact O-N 3.41Å; Q387-I390 VanDerWaalsContact O-N 3.14Å; I390-K392 PolarHBondContact O-N 3.32Å; I390-C396 VanDerWaalsContact O-CB 3.27Å; I390-C396 WeakPolarHBondContact O-CB 3.24Å; I390-I484 HydrophobicContact CG2-CD1 4.23Å; I390-P524 HydrophobicContact CD1-CG 3.87Å; I390-P524 HydrophobicContact CG1-CB 4.42Å; I390-P524 HydrophobicContact CG1-CG 4.09Å; I390-M528 HydrophobicContact CG1-SD 4.46Å; I390-M528 HydrophobicContact CG2-CE 4.03Å; I390-M528 HydrophobicContact CG2-SD 4.04Å
391H84.9Confident89.3Confident33 Ų3357 Ų5715%0.15328%0.276CS..THydrogen-bonded Turntrans-71.2-7.6-176.1-61.9167.2000114.3Q387 F389 L478 H479 L481Q387-H391 WeakPolarHBondContact O-CB 3.4Å; Q387-H391 PolarHBondContact O-CD2 3.04Å; Q387-H391 PolarHBondContact O-N 2.8Å; Q387-H391 PolarHBondContact O-ND1 3.42Å; F389-H391 VanDerWaalsContact C-N 3.32Å; F389-H391 PolarHBondContact O-N 3.24Å; H391-L478 VanDerWaalsContact O-CD2 3.29Å; H391-L478 WeakPolarHBondContact O-CD2 3.43Å; H391-H479 PolarHBondContact CE1-O 3.44Å; H391-H479 PolarHBondContact ND1-O 2.88Å; H391-L481 PolarHBondContact CD2-O 2.9Å; H391-L481 PolarHBondContact NE2-O 3.27Å
392K87.6Confident89.5Confident85 Ų8554.4 Ų54.437%0.3727%0.271SS..SBendtrans-62.4128.8175.4-69.9175.9179.7178.60109.4F389 I390 K394 Y395 C396 D532F389-K392 PolarHBondContact O-N 3.48Å; I390-K392 PolarHBondContact O-N 3.32Å; K392-K394 PolarHBondContact O-N 3.45Å; K392-Y395 HydrophobicContact CB-CD2 3.77Å; K392-Y395 HydrophobicContact CB-CE2 4.2Å; K392-Y395 HydrophobicContact CD-CD2 4.23Å; K392-Y395 HydrophobicContact CD-CE2 3.89Å; K392-Y395 PolarHBondContact O-N 2.91Å; K392-C396 PolarHBondContact O-N 2.97Å; K392-C396 PolarHBondContact O-SG 3.41Å; K392-D532 IonicContact NZ-OD2 3.01Å
393P87.7Confident89.5Confident39 Ų3954 Ų5425%0.25327%0.269SS..Hα-helixtrans-53-35.3-175.2-28.332.7000113.9Y395 L397 Y439 L478P393-Y395 PolarHBondContact O-N 3.17Å; P393-L397 HydrophobicContact CB-CD1 3.8Å; P393-L397 HydrophobicContact CB-CG 4.16Å; P393-L397 VanDerWaalsContact O-CB 3.23Å; P393-L397 WeakPolarHBondContact O-CB 3.31Å; P393-L397 WeakPolarHBondContact O-CD1 3.48Å; P393-L397 WeakPolarHBondContact O-CG 3.5Å; P393-L397 PolarHBondContact O-N 3.35Å; P393-Y439 HydrophobicContact CB-CD2 3.89Å; P393-Y439 HydrophobicContact CB-CE2 3.58Å; P393-Y439 HydrophobicContact CG-CD2 3.66Å; P393-Y439 HydrophobicContact CG-CE2 3.63Å; P393-L478 HydrophobicContact CB-CD2 4.21Å; P393-L478 HydrophobicContact CG-CD2 3.79Å
394K88.4Confident89.9Confident165 Ų16553.7 Ų53.772%0.71726%0.259SS*.Hα-helixtrans-55.2-33.7177-177.2178.4177.4179.30113.6K392K392-K394 PolarHBondContact O-N 3.45Å
395Y89.5Confident90.3Very high36 Ų3647 Ų4714%0.14123%0.23CC..Hα-helixtrans-101.7-41-171.1-56-54.2000113.1F389 K392 P393 P398 F399 M528 I530F389-Y395 WeakPolarHBondContact O-CD2 3.19Å; K392-Y395 HydrophobicContact CB-CD2 3.77Å; K392-Y395 HydrophobicContact CB-CE2 4.2Å; K392-Y395 HydrophobicContact CD-CD2 4.23Å; K392-Y395 HydrophobicContact CD-CE2 3.89Å; K392-Y395 PolarHBondContact O-N 2.91Å; P393-Y395 PolarHBondContact O-N 3.17Å; Y395-P398 WeakPolarHBondContact O-CD 3.49Å; Y395-F399 WeakPolarHBondContact O-CD2 3.39Å; Y395-F399 WeakPolarHBondContact O-CE2 3.32Å; Y395-M528 VanDerWaalsContact O-CE 3.24Å; Y395-M528 WeakPolarHBondContact O-CE 3.34Å; Y395-I530 HydrophobicContact CD1-CB 4.47Å; Y395-I530 HydrophobicContact CD1-CD1 4.49Å; Y395-I530 HydrophobicContact CD1-CG1 3.7Å; Y395-I530 HydrophobicContact CD2-CD1 3.94Å; Y395-I530 HydrophobicContact CD2-CG1 3.95Å; Y395-I530 HydrophobicContact CD2-CG2 4.26Å; Y395-I530 HydrophobicContact CE1-CB 4.44Å; Y395-I530 HydrophobicContact CE1-CG1 4.16Å; Y395-I530 HydrophobicContact CE1-CG2 4.21Å; Y395-I530 HydrophobicContact CE2-CG1 4.42Å; Y395-I530 HydrophobicContact CE2-CG2 3.94Å; Y395-I530 HydrophobicContact CG-CD1 3.88Å; Y395-I530 HydrophobicContact CG-CG1 3.6Å
396C89.6Confident90.6Very high1 Ų144.5 Ų44.51%0.00722%0.218CC..Hα-helixtrans-83.3-35.4-177.352.20000114.2I390 K392 P398 F399 L400 L478 I484 M528I390-C396 VanDerWaalsContact O-CB 3.27Å; I390-C396 WeakPolarHBondContact O-CB 3.24Å; K392-C396 PolarHBondContact O-N 2.97Å; K392-C396 PolarHBondContact O-SG 3.41Å; C396-P398 VanDerWaalsContact C-CD 3.4Å; C396-F399 PolarHBondContact O-N 2.89Å; C396-L400 PolarHBondContact O-N 2.76Å; C396-L478 VanDerWaalsContact SG-CD1 3.57Å; C396-I484 HydrophobicContact CB-CD1 3.71Å; C396-M528 HydrophobicContact CB-CE 4.19Å
397L89.6Confident90.8Very high30 Ų3045.9 Ų45.916%0.15722%0.223CC..G310 helixtrans-53.9-40.8-175.4-69.2177.4000114.5P393 F399 L400 F423 Y439P393-L397 HydrophobicContact CB-CD1 3.8Å; P393-L397 HydrophobicContact CB-CG 4.16Å; P393-L397 VanDerWaalsContact O-CB 3.23Å; P393-L397 WeakPolarHBondContact O-CB 3.31Å; P393-L397 WeakPolarHBondContact O-CD1 3.48Å; P393-L397 WeakPolarHBondContact O-CG 3.5Å; P393-L397 PolarHBondContact O-N 3.35Å; L397-F399 PolarHBondContact O-N 3.47Å; L397-F399 VanDerWaalsContact O-N 3.11Å; L397-L400 HydrophobicContact CD2-CD1 3.95Å; L397-L400 PolarHBondContact O-N 3.13Å; L397-L400 VanDerWaalsContact O-N 3.16Å; L397-F423 HydrophobicContact CD2-CD2 3.88Å; L397-F423 HydrophobicContact CD2-CE2 3.91Å; L397-F423 HydrophobicContact CD2-CG 4.5Å; L397-Y439 HydrophobicContact CD1-CD1 3.87Å; L397-Y439 HydrophobicContact CD1-CE1 3.42Å; L397-Y439 VanDerWaalsContact CD1-CE1 3.42Å; L397-Y439 HydrophobicContact CD2-CD1 3.78Å; L397-Y439 HydrophobicContact CD2-CE1 4.2Å; L397-Y439 HydrophobicContact CD2-CG 4.31Å; L397-Y439 HydrophobicContact CG-CD1 4.43Å; L397-Y439 HydrophobicContact CG-CE1 4.43Å
398P92.7Very high91Very high76 Ų7643.1 Ų43.149%0.49421%0.211SC..G310 helixtrans-58.1-26177-25.535.8000114Y395 C396 Q401Y395-P398 WeakPolarHBondContact O-CD 3.49Å; C396-P398 VanDerWaalsContact C-CD 3.4Å; P398-Q401 PolarHBondContact O-NE2 3.18Å
399F93.1Very high91Very high40 Ų4041.1 Ų41.118%0.17520%0.2CC..G310 helixtrans-95-13.7-177.3-59.1-83.8000113Y395 C396 L397 Q401 R404 I484 L522 D527 M528Y395-F399 WeakPolarHBondContact O-CD2 3.39Å; Y395-F399 WeakPolarHBondContact O-CE2 3.32Å; C396-F399 PolarHBondContact O-N 2.89Å; L397-F399 PolarHBondContact O-N 3.47Å; L397-F399 VanDerWaalsContact O-N 3.11Å; F399-Q401 PolarHBondContact O-N 3.38Å; F399-R404 WeakPolarHBondContact O-CD 3.39Å; F399-R404 PolarHBondContact O-NE 3.06Å; F399-I484 HydrophobicContact CB-CG2 4.38Å; F399-L522 HydrophobicContact CB-CD1 3.83Å; F399-L522 HydrophobicContact CD1-CD1 3.51Å; F399-L522 HydrophobicContact CD1-CD2 4.49Å; F399-L522 HydrophobicContact CE1-CD1 4.26Å; F399-L522 HydrophobicContact CG-CD1 3.7Å; F399-D527 VanDerWaalsContact CZ-O 3.26Å; F399-D527 WeakPolarHBondContact CZ-O 3.33Å; F399-M528 HydrophobicContact CD2-CE 4.02Å; F399-M528 HydrophobicContact CD2-CG 4.2Å; F399-M528 HydrophobicContact CE2-CB 3.98Å; F399-M528 HydrophobicContact CE2-CE 4.35Å; F399-M528 HydrophobicContact CE2-CG 3.9Å; F399-M528 HydrophobicContact CZ-CB 4.32Å; F399-M528 HydrophobicContact CZ-CG 4.23Å
400L92.8Very high90.7Very high2 Ų242.9 Ų42.91%0.0121%0.211CC..  trans-74.253.8177-60.1-173.8000112.8C396 L397 V406 V420 F423 V441 L478 L481 I484C396-L400 PolarHBondContact O-N 2.76Å; L397-L400 HydrophobicContact CD2-CD1 3.95Å; L397-L400 PolarHBondContact O-N 3.13Å; L397-L400 VanDerWaalsContact O-N 3.16Å; L400-V406 HydrophobicContact CD2-CG1 4.45Å; L400-V420 HydrophobicContact CB-CG1 4.41Å; L400-V420 HydrophobicContact CD2-CG2 4.28Å; L400-F423 HydrophobicContact CB-CD1 3.92Å; L400-F423 HydrophobicContact CB-CE1 4.37Å; L400-F423 HydrophobicContact CD1-CB 4.49Å; L400-F423 WeakPolarHBondContact O-CD1 3.09Å; L400-V441 HydrophobicContact CD1-CG1 4.17Å; L400-V441 HydrophobicContact CD1-CG2 3.61Å; L400-L478 HydrophobicContact CD1-CD1 3.85Å; L400-L481 HydrophobicContact CD1-CD1 4.44Å; L400-L481 HydrophobicContact CD2-CD1 3.96Å; L400-I484 HydrophobicContact CD2-CD1 4.39Å
401Q93.5Very high90.3Very high68 Ų6849.8 Ų49.832%0.31824%0.242SC..  trans-82.9143.7178.1-63.4170.2-5.100109.8P398 F399 G403 R404 R488P398-Q401 PolarHBondContact O-NE2 3.18Å; F399-Q401 PolarHBondContact O-N 3.38Å; Q401-G403 PolarHBondContact O-N 3.48Å; Q401-R404 WeakPolarHBondContact O-CB 3.28Å; Q401-R404 PolarHBondContact O-N 3.12Å; Q401-R488 VanDerWaalsContact OE1-CZ 3.23Å
402P94.2Very high89.7Confident64 Ų6455.6 Ų55.642%0.41628%0.275SS..THydrogen-bonded Turntrans-51.8133.7173.2-26.433.9000111.6V420 V421 R488P402-V420 CarbonylContact C-O 3.49Å; P402-V420 WeakPolarHBondContact CA-O 3.48Å; P402-V421 WeakPolarHBondContact CG-O 3.3Å; P402-R488 PolarHBondContact O-NH2 3.22Å
403G93.4Very high89.3Confident0 Ų054.4 Ų54.40%027%0.274CS..THydrogen-bonded Turntrans90.4-9.4-176.300000115.1Q401 V419 V420 R488 L489Q401-G403 PolarHBondContact O-N 3.48Å; G403-V419 VanDerWaalsContact CA-CG1 3.45Å; G403-V420 PolarHBondContact N-O 3.13Å; G403-R488 CarbonylContact O-C 3.38Å; G403-R488 WeakPolarHBondContact O-CA 3.32Å; G403-L489 VanDerWaalsContact CA-O 3.28Å; G403-L489 WeakPolarHBondContact CA-O 3.46Å; G403-L489 PolarHBondContact O-N 3.26Å
404R96.2Very high89.2Confident22 Ų2255.5 Ų55.58%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-71139.4-179.8-169.5155.5-56.4-91.62.6112.1F399 Q401 V419 V420 I484 S485 S486 R488F399-R404 WeakPolarHBondContact O-CD 3.39Å; F399-R404 PolarHBondContact O-NE 3.06Å; Q401-R404 WeakPolarHBondContact O-CB 3.28Å; Q401-R404 PolarHBondContact O-N 3.12Å; R404-V419 WeakPolarHBondContact O-CA 3.46Å; R404-V420 HydrophobicContact CB-CG2 4.39Å; R404-V420 PolarHBondContact O-N 3.26Å; R404-I484 HydrophobicContact CG-CG2 4.27Å; R404-S485 VanDerWaalsContact CD-O 3.27Å; R404-S485 WeakPolarHBondContact CD-O 3.37Å; R404-S485 WeakPolarHBondContact CG-O 3.33Å; R404-S485 PolarHBondContact NH1-O 3.4Å; R404-S486 VanDerWaalsContact NH1-C 3.25Å; R404-S486 PolarHBondContact NH1-O 3.08Å; R404-R488 HydrophobicContact CB-CG 4.45Å; R404-R488 VanDerWaalsContact CZ-CG 3.46Å; R404-R488 VanDerWaalsContact NH2-CG 3.31Å
405L96.2Very high89.1Confident1 Ų148.8 Ų48.81%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-78.1130.2173.4-75.2-177.9000111.5W417 G418 V419 S485 V487 L489 I508 V511 V519L405-W417 HydrophobicContact CB-CE3 4.07Å; L405-W417 HydrophobicContact CB-CZ3 4.27Å; L405-G418 WeakPolarHBondContact CA-O 3.27Å; L405-G418 WeakPolarHBondContact CD2-O 3.45Å; L405-V419 HydrophobicContact CD2-CG2 4.01Å; L405-S485 WeakPolarHBondContact O-CB 3.4Å; L405-S485 PolarHBondContact O-N 3.02Å; L405-V487 HydrophobicContact CD1-CB 4.03Å; L405-V487 HydrophobicContact CD1-CG1 3.89Å; L405-V487 HydrophobicContact CG-CG1 4.46Å; L405-V487 PolarHBondContact N-O 3.33Å; L405-V487 VanDerWaalsContact N-O 3.12Å; L405-L489 HydrophobicContact CD1-CD1 4.48Å; L405-L489 HydrophobicContact CD2-CD1 3.83Å; L405-L489 HydrophobicContact CD2-CG 4.45Å; L405-L489 HydrophobicContact CG-CD1 4.27Å; L405-L489 HydrophobicContact CG-CG 4.39Å; L405-I508 HydrophobicContact CD2-CG1 3.96Å; L405-V511 HydrophobicContact CD1-CB 4.31Å; L405-V511 HydrophobicContact CD1-CG1 3.87Å; L405-V511 HydrophobicContact CD1-CG2 4.37Å; L405-V519 HydrophobicContact CD1-CG1 4.18Å
406V94.9Very high89.1Confident0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-136148.3177.9-67.40000110.1L400 G418 V420 V443 L481 S483 I484L400-V406 HydrophobicContact CD2-CG1 4.45Å; V406-G418 PolarHBondContact N-O 3.46Å; V406-G418 PolarHBondContact O-N 3.49Å; V406-V420 HydrophobicContact CB-CG2 4.33Å; V406-V420 HydrophobicContact CG1-CG2 3.54Å; V406-V420 HydrophobicContact CG2-CG2 3.79Å; V406-V443 HydrophobicContact CG2-CG1 3.67Å; V406-V443 HydrophobicContact CG2-CG2 4.08Å; V406-L481 HydrophobicContact CB-CD2 4Å; V406-L481 HydrophobicContact CG2-CD2 3.89Å; V406-S483 CarbonylContact C-O 3.52Å; V406-S483 WeakPolarHBondContact CA-O 3.24Å; V406-I484 HydrophobicContact CG1-CG1 4.36Å; V406-I484 HydrophobicContact CG1-CG2 4.25Å
407K93.1Very high89.3Confident58 Ų5850 Ų5025%0.25226%0.26SS..EExtended strand (participates in β ladder)trans-103.1124.7175.4-162.7-178.7179.9-170.10110.2D414 G416 W417 L481 T482 S483K407-D414 WeakPolarHBondContact CE-OD1 2.87Å; K407-D414 WeakPolarHBondContact CE-OD2 3.46Å; K407-D414 IonicContact NZ-OD1 3.29Å; K407-D414 IonicContact NZ-OD2 3.12Å; K407-D414 PolarHBondContact NZ-OD2 3.49Å; K407-G416 WeakPolarHBondContact CA-O 3.5Å; K407-G416 WeakPolarHBondContact CG-O 3.13Å; K407-W417 HydrophobicContact CB-CD2 4.31Å; K407-W417 HydrophobicContact CB-CE3 4.12Å; K407-W417 HydrophobicContact CB-CH2 4.37Å; K407-W417 HydrophobicContact CB-CZ3 4.16Å; K407-L481 CarbonylContact O-C 3.58Å; K407-L481 WeakPolarHBondContact O-CA 3.46Å; K407-T482 PolarHBondContact O-N 3.38Å; K407-T482 PolarHBondContact O-OG1 2.79Å; K407-S483 PolarHBondContact N-O 3.32Å
408V90.4Very high89.5Confident1 Ų148.5 Ų48.51%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-108.4129.2-177.6176.20000110.2F415 G416 V443 L445 V476 L480 L481V408-F415 HydrophobicContact CB-CB 4.13Å; V408-F415 HydrophobicContact CG1-CB 4.34Å; V408-F415 HydrophobicContact CG1-CD2 4.07Å; V408-F415 HydrophobicContact CG1-CG 4.39Å; V408-F415 WeakPolarHBondContact O-CB 3.32Å; V408-F415 PolarHBondContact O-N 3.28Å; V408-G416 PolarHBondContact N-O 3.36Å; V408-G416 VanDerWaalsContact N-O 3.08Å; V408-V443 HydrophobicContact CG2-CG1 4.17Å; V408-V443 HydrophobicContact CG2-CG2 4.49Å; V408-L445 HydrophobicContact CB-CD1 4.17Å; V408-L445 HydrophobicContact CB-CD2 3.92Å; V408-L445 HydrophobicContact CG1-CD1 4.08Å; V408-L445 HydrophobicContact CG2-CD1 4.17Å; V408-L445 HydrophobicContact CG2-CD2 3.77Å; V408-V476 HydrophobicContact CG1-CG1 4.19Å; V408-V476 HydrophobicContact CG2-CG2 4.37Å; V408-L480 WeakPolarHBondContact CA-O 3.3Å; V408-L480 HydrophobicContact CG1-CB 4.39Å; V408-L481 HydrophobicContact CG2-CD2 3.68Å
409K87.8Confident89.6Confident89 Ų8944.9 Ų44.939%0.38723%0.229SC..EExtended strand (participates in β ladder)trans-135.9130.3172.8-168.6177-179.3-179.50109.8E411 T413 D414 L480 T482K409-E411 WeakPolarHBondContact CE-O 3.33Å; K409-T413 WeakPolarHBondContact CA-O 3.29Å; K409-T413 WeakPolarHBondContact CG-O 3.34Å; K409-D414 HydrophobicContact CG-CB 4.28Å; K409-L480 PolarHBondContact N-O 3.47Å; K409-T482 HydrophobicContact CB-CG2 3.45Å; K409-T482 VanDerWaalsContact CB-CG2 3.45Å; K409-T482 HydrophobicContact CD-CG2 4.39Å
410N81.7Confident89.8Confident70 Ų7043 Ų4337%0.37422%0.22SC..EExtended strand (participates in β ladder)trans-115.2106.9174.4-173.322.7000109.4D412 T413 F415 L480N410-D412 PolarHBondContact O-N 2.96Å; N410-D412 VanDerWaalsContact O-N 3.08Å; N410-T413 PolarHBondContact N-O 3.34Å; N410-T413 WeakPolarHBondContact O-CA 3.41Å; N410-T413 WeakPolarHBondContact O-CB 3.49Å; N410-T413 PolarHBondContact O-N 3.11Å; N410-F415 HydrophobicContact CB-CE2 4.12Å; N410-L480 HydrophobicContact CB-CD2 4.28Å
411E78.6Confident89.8Confident165 Ų16544.4 Ų44.477%0.77123%0.229SC*.THydrogen-bonded Turntrans51-111.5-175.2-59.1-176.1160.700112K409K409-E411 WeakPolarHBondContact CE-O 3.33Å
412D72.2Confident89.7Confident156 Ų15645 Ų4583%0.83423%0.234SC*.THydrogen-bonded Turntrans-88.2-7.2178.8-65.2-37.3000113.4N410N410-D412 PolarHBondContact O-N 2.96Å; N410-D412 VanDerWaalsContact O-N 3.08Å
413T79Confident89.6Confident59 Ų5945.6 Ų45.636%0.36223%0.231SC..EExtended strand (participates in β ladder)trans-98.4110.8-174.3-54.70000111K409 N410 F415 P462K409-T413 WeakPolarHBondContact CA-O 3.29Å; K409-T413 WeakPolarHBondContact CG-O 3.34Å; N410-T413 PolarHBondContact N-O 3.34Å; N410-T413 WeakPolarHBondContact O-CA 3.41Å; N410-T413 WeakPolarHBondContact O-CB 3.49Å; N410-T413 PolarHBondContact O-N 3.11Å; T413-F415 HydrophobicContact CG2-CD2 4.4Å; T413-F415 HydrophobicContact CG2-CE2 3.96Å; T413-F415 HydrophobicContact CG2-CZ 4.4Å; T413-P462 HydrophobicContact CG2-CG 3.39Å
414D85.7Confident89.4Confident63 Ų6347.4 Ų47.434%0.33724%0.243SC..EExtended strand (participates in β ladder)trans-94.5118.3177.1-167.2-8.3000110.4K407 K409 G416 P462K407-D414 WeakPolarHBondContact CE-OD1 2.87Å; K407-D414 WeakPolarHBondContact CE-OD2 3.46Å; K407-D414 IonicContact NZ-OD1 3.29Å; K407-D414 IonicContact NZ-OD2 3.12Å; K407-D414 PolarHBondContact NZ-OD2 3.49Å; K409-D414 HydrophobicContact CG-CB 4.28Å; D414-G416 VanDerWaalsContact C-N 3.29Å; D414-G416 WeakPolarHBondContact OD1-CA 3.3Å; D414-G416 PolarHBondContact OD1-N 2.95Å; D414-P462 WeakPolarHBondContact O-CB 3.29Å
415F86Confident88.9Confident23 Ų2353 Ų5310%0.10127%0.268CS..EExtended strand (participates in β ladder)trans-85.5-5.1174.9-68.4-103.3000113V408 N410 T413 L445 A460 P462V408-F415 HydrophobicContact CB-CB 4.13Å; V408-F415 HydrophobicContact CG1-CB 4.34Å; V408-F415 HydrophobicContact CG1-CD2 4.07Å; V408-F415 HydrophobicContact CG1-CG 4.39Å; V408-F415 WeakPolarHBondContact O-CB 3.32Å; V408-F415 PolarHBondContact O-N 3.28Å; N410-F415 HydrophobicContact CB-CE2 4.12Å; T413-F415 HydrophobicContact CG2-CD2 4.4Å; T413-F415 HydrophobicContact CG2-CE2 3.96Å; T413-F415 HydrophobicContact CG2-CZ 4.4Å; F415-L445 HydrophobicContact CB-CD1 4.18Å; F415-L445 HydrophobicContact CB-CD2 4.05Å; F415-L445 HydrophobicContact CD1-CB 4.43Å; F415-L445 HydrophobicContact CD1-CD1 3.95Å; F415-L445 HydrophobicContact CG-CD1 4.12Å; F415-A460 HydrophobicContact CE1-CB 4.12Å; F415-A460 HydrophobicContact CZ-CB 4.34Å; F415-A460 VanDerWaalsContact CZ-O 3.3Å; F415-A460 WeakPolarHBondContact CZ-O 3.2Å; F415-P462 HydrophobicContact CD1-CB 4.1Å; F415-P462 HydrophobicContact CG-CB 4.32Å
416G90.8Very high88.1Confident21 Ų2158.2 Ų58.222%0.21629%0.291CS..EExtended strand (participates in β ladder)trans66.9-149.4-176.800000111.9K407 V408 D414K407-G416 WeakPolarHBondContact CA-O 3.5Å; K407-G416 WeakPolarHBondContact CG-O 3.13Å; V408-G416 PolarHBondContact N-O 3.36Å; V408-G416 VanDerWaalsContact N-O 3.08Å; D414-G416 VanDerWaalsContact C-N 3.29Å; D414-G416 WeakPolarHBondContact OD1-CA 3.3Å; D414-G416 PolarHBondContact OD1-N 2.95Å
417W93.5Very high87Confident41 Ų4163.9 Ų63.916%0.15533%0.326CS..EExtended strand (participates in β ladder)trans-83.2128.8-176.4-71.6102.1000111.7L405 K407 I508 V519 L521L405-W417 HydrophobicContact CB-CE3 4.07Å; L405-W417 HydrophobicContact CB-CZ3 4.27Å; K407-W417 HydrophobicContact CB-CD2 4.31Å; K407-W417 HydrophobicContact CB-CE3 4.12Å; K407-W417 HydrophobicContact CB-CH2 4.37Å; K407-W417 HydrophobicContact CB-CZ3 4.16Å; W417-I508 HydrophobicContact CB-CG2 4.03Å; W417-V519 HydrophobicContact CH2-CB 4.22Å; W417-V519 HydrophobicContact CH2-CG1 4.4Å; W417-V519 HydrophobicContact CZ2-CB 3.77Å; W417-V519 HydrophobicContact CZ2-CG1 4.4Å; W417-V519 HydrophobicContact CZ2-CG2 4.26Å; W417-L521 HydrophobicContact CH2-CD2 3.58Å; W417-L521 HydrophobicContact CZ2-CD2 4.14Å
418G93.7Very high85.5Confident0 Ų063.6 Ų63.60%033%0.327CS..EExtended strand (participates in β ladder)trans-126.6176172.800000112.5L405 V406 L444L405-G418 WeakPolarHBondContact CA-O 3.27Å; L405-G418 WeakPolarHBondContact CD2-O 3.45Å; V406-G418 PolarHBondContact N-O 3.46Å; V406-G418 PolarHBondContact O-N 3.49Å; G418-L444 CarbonylContact C-O 3.5Å; G418-L444 WeakPolarHBondContact CA-O 3.45Å
419V95.9Very high83.7Confident0 Ų069.9 Ų69.90%037%0.365CS..EExtended strand (participates in β ladder)trans-115.3128.5-179.9-168.20000110.1G403 R404 L405 V421 V443 L444 L489 I491 M504 I508G403-V419 VanDerWaalsContact CA-CG1 3.45Å; R404-V419 WeakPolarHBondContact O-CA 3.46Å; L405-V419 HydrophobicContact CD2-CG2 4.01Å; V419-V421 PolarHBondContact O-N 3.2Å; V419-V443 CarbonylContact O-C 3.28Å; V419-V443 WeakPolarHBondContact O-CA 3.25Å; V419-L444 HydrophobicContact CB-CB 4.34Å; V419-L444 PolarHBondContact N-O 3.2Å; V419-L444 PolarHBondContact O-N 3.2Å; V419-L489 HydrophobicContact CG2-CD1 4.21Å; V419-I491 HydrophobicContact CG1-CD1 4.05Å; V419-M504 HydrophobicContact CG2-CE 4.19Å; V419-I508 HydrophobicContact CG2-CD1 3.85Å; V419-I508 HydrophobicContact CG2-CG1 4.05Å
420V95.5Very high81.9Confident0 Ų073 Ų730%038%0.379CS..EExtended strand (participates in β ladder)trans-64.4126.5172.5178.70000109.4L400 P402 G403 R404 V406 V441L400-V420 HydrophobicContact CB-CG1 4.41Å; L400-V420 HydrophobicContact CD2-CG2 4.28Å; P402-V420 CarbonylContact C-O 3.49Å; P402-V420 WeakPolarHBondContact CA-O 3.48Å; G403-V420 PolarHBondContact N-O 3.13Å; R404-V420 HydrophobicContact CB-CG2 4.39Å; R404-V420 PolarHBondContact O-N 3.26Å; V406-V420 HydrophobicContact CB-CG2 4.33Å; V406-V420 HydrophobicContact CG1-CG2 3.54Å; V406-V420 HydrophobicContact CG2-CG2 3.79Å; V420-V441 HydrophobicContact CG1-CG1 4.25Å
421V93.3Very high80.1Confident31 Ų3170.9 Ų70.919%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-98.1-51.3174-1790000109.6P402 V419 E442 L444 V473 I491 L495P402-V421 WeakPolarHBondContact CG-O 3.3Å; V419-V421 PolarHBondContact O-N 3.2Å; V421-E442 HydrophobicContact CB-CB 4.31Å; V421-E442 WeakPolarHBondContact CB-O 3.33Å; V421-E442 PolarHBondContact N-O 2.84Å; V421-L444 HydrophobicContact CG2-CB 3.93Å; V421-V473 HydrophobicContact CG2-CG1 4.3Å; V421-V473 HydrophobicContact CG2-CG2 4.2Å; V421-I491 HydrophobicContact CG2-CD1 4.07Å; V421-L495 HydrophobicContact CB-CD1 4.43Å; V421-L495 HydrophobicContact CG1-CD1 3.79Å; V421-L495 HydrophobicContact CG2-CD1 3.74Å
422N91.8Very high78.3Confident81 Ų8167.5 Ų67.543%0.43337%0.365SS..EExtended strand (participates in β ladder)trans-158.6170.8-178-161.38.6000110.4E442N422-E442 HydrophobicContact CB-CB 4.28Å; N422-E442 PolarHBondContact N-O 2.8Å; N422-E442 PolarHBondContact O-N 3.36Å
423F92.1Very high77.1Confident77 Ų7762.9 Ų62.934%0.33836%0.355SS..EExtended strand (participates in β ladder)trans-141.2151.1164.372.7-88.9000110.2L397 L400 V440 V441L397-F423 HydrophobicContact CD2-CD2 3.88Å; L397-F423 HydrophobicContact CD2-CE2 3.91Å; L397-F423 HydrophobicContact CD2-CG 4.5Å; L400-F423 HydrophobicContact CB-CD1 3.92Å; L400-F423 HydrophobicContact CB-CE1 4.37Å; L400-F423 HydrophobicContact CD1-CB 4.49Å; L400-F423 WeakPolarHBondContact O-CD1 3.09Å; F423-V440 CarbonylContact C-O 3.57Å; F423-V440 WeakPolarHBondContact CA-O 3.29Å; F423-V441 HydrophobicContact CB-CB 4.46Å; F423-V441 HydrophobicContact CB-CG1 4.32Å; F423-V441 HydrophobicContact CB-CG2 4.23Å
424S88.3Confident75.4Confident38 Ų3868.8 Ų68.827%0.26638%0.384SS..EExtended strand (participates in β ladder)trans-134.4143.9178620000111V440S424-V440 PolarHBondContact N-O 3.01Å; S424-V440 PolarHBondContact O-N 3.39Å
425K87.3Confident74Confident138 Ų13868.2 Ų68.260%0.639%0.385SS*.EExtended strand (participates in β ladder)trans-88.1116.7169-175.1-175.7-179.6179.30107.4P437 Y439K425-P437 HydrophobicContact CD-CB 4.12Å; K425-P437 HydrophobicContact CD-CG 4.44Å; K425-P437 HydrophobicContact CG-CB 3.83Å; K425-Y439 HydrophobicContact CB-CD1 4.33Å; K425-Y439 HydrophobicContact CB-CE1 4.02Å; K425-Y439 HydrophobicContact CD-CE1 4.37Å; K425-Y439 HydrophobicContact CG-CE1 3.98Å
426K78.9Confident72.9Confident112 Ų11275 Ų7549%0.48742%0.417SS..EExtended strand (participates in β ladder)trans-103.4130.3174.7-67-167179.7-179.30109.5L438 V440K426-L438 PolarHBondContact N-O 2.94Å; K426-L438 PolarHBondContact O-N 2.9Å; K426-L438 VanDerWaalsContact O-N 3.12Å; K426-V440 HydrophobicContact CD-CG2 3.92Å; K426-V440 HydrophobicContact CG-CG2 4.28Å
427T70.7Confident72Confident119 Ų11976 Ų7673%0.7342%0.42SS*.PPolyproline II helixtrans-67.6132.7164.718.90000108.3T429T427-T429 PolarHBondContact O-N 3.43Å
428N61.8Low71.4Confident52 Ų5277.2 Ų77.228%0.27843%0.429SS..  trans-71.297.2174.5-169.5-6000108K430 A431 L438N428-K430 PolarHBondContact O-N 2.97Å; N428-K430 PolarHBondContact OD1-N 3.33Å; N428-A431 HydrophobicContact CB-CB 4.36Å; N428-A431 VanDerWaalsContact ND2-CB 3.25Å; N428-A431 WeakPolarHBondContact ND2-CB 3.42Å; N428-A431 PolarHBondContact OD1-N 3.26Å; N428-L438 HydrophobicContact CB-CD1 4.19Å
429T52.8Low71.1Confident132 Ų13279.4 Ų79.481%0.8144%0.438SS*.SBendtrans-74.8-5.5-178.947.30000113.2T427T427-T429 PolarHBondContact O-N 3.43Å
430K51Low70.7Confident155 Ų15579.9 Ų79.967%0.67444%0.441SS*.SBendtrans-102.7-27.3179.7-61.1-171.9171.9-177.70113.6N428 E701N428-K430 PolarHBondContact O-N 2.97Å; N428-K430 PolarHBondContact OD1-N 3.33Å; K430-E701 WeakPolarHBondContact CB-OE1 3.36Å; K430-E701 WeakPolarHBondContact O-CG 3.49Å; K430-E701 VanDerWaalsContact O-OE1 3.05Å
431A43.1Very low70.5Confident25 Ų2579.9 Ų79.921%0.20744%0.441CS..  trans-92.6120.3176.200000112.5N428 G433 E701N428-A431 HydrophobicContact CB-CB 4.36Å; N428-A431 VanDerWaalsContact ND2-CB 3.25Å; N428-A431 WeakPolarHBondContact ND2-CB 3.42Å; N428-A431 PolarHBondContact OD1-N 3.26Å; A431-G433 PolarHBondContact O-N 3.28Å; A431-E701 WeakPolarHBondContact CA-OE2 3.36Å
432S40.6Very low70.5Confident94 Ų9481.5 Ų81.566%0.65745%0.446SS*.  trans-84.8101.816863.30000110.5
433G47.8Very low70.5Confident60 Ų6077.6 Ų77.662%0.61943%0.426SS*.SBendtrans159172.3176.700000111.9A431 S435A431-G433 PolarHBondContact O-N 3.28Å; G433-S435 PolarHBondContact O-N 3.27Å
434D42.8Very low70.5Confident182 Ų18274 Ų7497%0.97341%0.41SS*.SBendtrans-70.850.7176.5-151.718.7000111.2
435S56.8Low70.7Confident52 Ų5272.1 Ų72.136%0.36440%0.397SS..PPolyproline II helixtrans-72141.7-179.773.20000110.2G433G433-S435 PolarHBondContact O-N 3.27Å
436E61.6Low70.8Confident164 Ų16467.9 Ų67.977%0.76638%0.379SS*.PPolyproline II helixtrans-56.6134.5175.7-72.8-168.4165.400110.1L438E436-L438 PolarHBondContact O-N 3.44Å
437P73.4Confident71.1Confident43 Ų4362.5 Ų62.528%0.27936%0.356SS..PPolyproline II helixtrans-63.3138.3-177.126.1-34.7000111.2K425 Y439K425-P437 HydrophobicContact CD-CB 4.12Å; K425-P437 HydrophobicContact CD-CG 4.44Å; K425-P437 HydrophobicContact CG-CB 3.83Å; P437-Y439 HydrophobicContact CB-CE2 4.43Å; P437-Y439 HydrophobicContact CG-CE2 3.85Å; P437-Y439 VanDerWaalsContact O-CD2 3.26Å; P437-Y439 WeakPolarHBondContact O-CD2 3.49Å; P437-Y439 WeakPolarHBondContact O-CE2 3.27Å
438L81.1Confident71.5Confident67 Ų6757 Ų5735%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-76.9128.5177.1-67.8168.8000109.7K426 N428 E436K426-L438 PolarHBondContact N-O 2.94Å; K426-L438 PolarHBondContact O-N 2.9Å; K426-L438 VanDerWaalsContact O-N 3.12Å; N428-L438 HydrophobicContact CB-CD1 4.19Å; E436-L438 PolarHBondContact O-N 3.44Å
439Y86.6Confident71.8Confident45 Ų4559.2 Ų59.218%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-103.4117174.9-69.5-84.6000109.8P393 L397 K425 P437 L478P393-Y439 HydrophobicContact CB-CD2 3.89Å; P393-Y439 HydrophobicContact CB-CE2 3.58Å; P393-Y439 HydrophobicContact CG-CD2 3.66Å; P393-Y439 HydrophobicContact CG-CE2 3.63Å; L397-Y439 HydrophobicContact CD1-CD1 3.87Å; L397-Y439 HydrophobicContact CD1-CE1 3.42Å; L397-Y439 VanDerWaalsContact CD1-CE1 3.42Å; L397-Y439 HydrophobicContact CD2-CD1 3.78Å; L397-Y439 HydrophobicContact CD2-CE1 4.2Å; L397-Y439 HydrophobicContact CD2-CG 4.31Å; L397-Y439 HydrophobicContact CG-CD1 4.43Å; L397-Y439 HydrophobicContact CG-CE1 4.43Å; K425-Y439 HydrophobicContact CB-CD1 4.33Å; K425-Y439 HydrophobicContact CB-CE1 4.02Å; K425-Y439 HydrophobicContact CD-CE1 4.37Å; K425-Y439 HydrophobicContact CG-CE1 3.98Å; P437-Y439 HydrophobicContact CB-CE2 4.43Å; P437-Y439 HydrophobicContact CG-CE2 3.85Å; P437-Y439 VanDerWaalsContact O-CD2 3.26Å; P437-Y439 WeakPolarHBondContact O-CD2 3.49Å; P437-Y439 WeakPolarHBondContact O-CE2 3.27Å; Y439-L478 HydrophobicContact CG-CD2 4.48Å; Y439-L478 PolarHBondContact O-N 2.84Å
440V88.3Confident72.1Confident10 Ų1056.1 Ų56.16%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-108.2124.5177.9179.80000108.4F423 S424 K426 P475 M477F423-V440 CarbonylContact C-O 3.57Å; F423-V440 WeakPolarHBondContact CA-O 3.29Å; S424-V440 PolarHBondContact N-O 3.01Å; S424-V440 PolarHBondContact O-N 3.39Å; K426-V440 HydrophobicContact CD-CG2 3.92Å; K426-V440 HydrophobicContact CG-CG2 4.28Å; V440-P475 HydrophobicContact CG1-CB 3.55Å; V440-M477 HydrophobicContact CG2-SD 4.11Å
441V91Very high72.6Confident0 Ų048.9 Ų48.90%028%0.275CS..EExtended strand (participates in β ladder)trans-108.5121.2-179-169.70000108.2L400 V420 F423 V443 P475 V476 L478 L481L400-V441 HydrophobicContact CD1-CG1 4.17Å; L400-V441 HydrophobicContact CD1-CG2 3.61Å; V420-V441 HydrophobicContact CG1-CG1 4.25Å; F423-V441 HydrophobicContact CB-CB 4.46Å; F423-V441 HydrophobicContact CB-CG1 4.32Å; F423-V441 HydrophobicContact CB-CG2 4.23Å; V441-V443 HydrophobicContact CB-CG2 4.26Å; V441-V443 HydrophobicContact CG1-CG2 3.73Å; V441-V443 PolarHBondContact O-N 3.39Å; V441-P475 CarbonylContact O-C 3.55Å; V441-V476 HydrophobicContact CB-CG2 4.3Å; V441-V476 PolarHBondContact N-O 3.4Å; V441-V476 WeakPolarHBondContact O-CG2 3.35Å; V441-V476 PolarHBondContact O-N 3.18Å; V441-L478 HydrophobicContact CG2-CD1 4.07Å; V441-L481 HydrophobicContact CB-CD1 4.38Å; V441-L481 HydrophobicContact CG1-CD1 4.39Å; V441-L481 HydrophobicContact CG2-CD1 4Å
442E91.8Very high73.1Confident65 Ų6550.5 Ų50.530%0.30428%0.282SS..EExtended strand (participates in β ladder)trans-81.7110.3173.9-67.4178.1-179.200108.5V421 N422 V473 P475V421-E442 HydrophobicContact CB-CB 4.31Å; V421-E442 WeakPolarHBondContact CB-O 3.33Å; V421-E442 PolarHBondContact N-O 2.84Å; N422-E442 HydrophobicContact CB-CB 4.28Å; N422-E442 PolarHBondContact N-O 2.8Å; N422-E442 PolarHBondContact O-N 3.36Å; E442-V473 HydrophobicContact CB-CG1 3.87Å; E442-V473 HydrophobicContact CG-CG1 4.47Å; E442-P475 HydrophobicContact CG-CB 4.41Å
443V92.9Very high73.4Confident0 Ų051.4 Ų51.40%027%0.274CS..EExtended strand (participates in β ladder)trans-117.6131.5-177.2-174.60000109.5V406 V408 V419 V441 L445 V474 V476 L481V406-V443 HydrophobicContact CG2-CG1 3.67Å; V406-V443 HydrophobicContact CG2-CG2 4.08Å; V408-V443 HydrophobicContact CG2-CG1 4.17Å; V408-V443 HydrophobicContact CG2-CG2 4.49Å; V419-V443 CarbonylContact O-C 3.28Å; V419-V443 WeakPolarHBondContact O-CA 3.25Å; V441-V443 HydrophobicContact CB-CG2 4.26Å; V441-V443 HydrophobicContact CG1-CG2 3.73Å; V441-V443 PolarHBondContact O-N 3.39Å; V443-L445 HydrophobicContact CB-CG 4.25Å; V443-L445 HydrophobicContact CG1-CD2 3.7Å; V443-L445 HydrophobicContact CG1-CG 3.88Å; V443-L445 PolarHBondContact O-N 3.35Å; V443-V474 PolarHBondContact N-O 2.95Å; V443-V474 PolarHBondContact O-N 2.99Å; V443-V476 HydrophobicContact CB-CG2 4.32Å; V443-V476 HydrophobicContact CG2-CG2 3.67Å; V443-L481 HydrophobicContact CG2-CD2 4.19Å
444L92.9Very high73.5Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-79.6108.3171.7-16777.1000109G418 V419 V421 M471 Q472 V473 R501 M504G418-L444 CarbonylContact C-O 3.5Å; G418-L444 WeakPolarHBondContact CA-O 3.45Å; V419-L444 HydrophobicContact CB-CB 4.34Å; V419-L444 PolarHBondContact N-O 3.2Å; V419-L444 PolarHBondContact O-N 3.2Å; V421-L444 HydrophobicContact CG2-CB 3.93Å; L444-M471 HydrophobicContact CB-CE 4.46Å; L444-M471 HydrophobicContact CD1-CB 4.28Å; L444-M471 HydrophobicContact CD2-CB 4.31Å; L444-M471 HydrophobicContact CD2-CE 3.77Å; L444-M471 HydrophobicContact CG-CB 4.16Å; L444-M471 HydrophobicContact CG-CE 3.78Å; L444-Q472 CarbonylContact C-O 3.56Å; L444-Q472 VanDerWaalsContact CA-O 3.27Å; L444-Q472 WeakPolarHBondContact CA-O 3.28Å; L444-V473 HydrophobicContact CD1-CG2 3.57Å; L444-R501 HydrophobicContact CD1-CB 4.42Å; L444-R501 HydrophobicContact CD1-CG 4.05Å; L444-M504 HydrophobicContact CD2-CB 3.58Å; L444-M504 HydrophobicContact CD2-CG 3.62Å
445L90.9Very high73.2Confident0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-117.3152.9-174.7-65.6172000111.8V408 F415 V443 C447 M471 Q472 V474 V476V408-L445 HydrophobicContact CB-CD1 4.17Å; V408-L445 HydrophobicContact CB-CD2 3.92Å; V408-L445 HydrophobicContact CG1-CD1 4.08Å; V408-L445 HydrophobicContact CG2-CD1 4.17Å; V408-L445 HydrophobicContact CG2-CD2 3.77Å; F415-L445 HydrophobicContact CB-CD1 4.18Å; F415-L445 HydrophobicContact CB-CD2 4.05Å; F415-L445 HydrophobicContact CD1-CB 4.43Å; F415-L445 HydrophobicContact CD1-CD1 3.95Å; F415-L445 HydrophobicContact CG-CD1 4.12Å; V443-L445 HydrophobicContact CB-CG 4.25Å; V443-L445 HydrophobicContact CG1-CD2 3.7Å; V443-L445 HydrophobicContact CG1-CG 3.88Å; V443-L445 PolarHBondContact O-N 3.35Å; L445-C447 PolarHBondContact O-N 3.33Å; L445-M471 CarbonylContact O-C 3.57Å; L445-M471 VanDerWaalsContact O-CA 3.28Å; L445-M471 WeakPolarHBondContact O-CA 3.43Å; L445-Q472 PolarHBondContact N-O 2.83Å; L445-Q472 PolarHBondContact O-N 3.1Å; L445-V474 HydrophobicContact CD1-CB 4.16Å; L445-V474 HydrophobicContact CD1-CG2 4.41Å; L445-V476 HydrophobicContact CD1-CG1 4.2Å
446H89.7Confident73Confident48 Ų4849.6 Ų49.622%0.22227%0.265CS..EExtended strand (participates in β ladder)trans-84.699.2174.7-171.1-140.4000109.9A463 G469 M471 L505H446-A463 PolarHBondContact O-N 2.84Å; H446-G469 WeakPolarHBondContact NE2-CA 3.45Å; H446-G469 PolarHBondContact NE2-N 3.31Å; H446-G469 PolarHBondContact NE2-O 3.27Å; H446-M471 HydrophobicContact CB-SD 3.75Å; H446-L505 HydrophobicContact CB-CD1 4.17Å
447C85.6Confident72.6Confident0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-104.2154.9-173.4-63.10000112L445 K461 G469 E470 Q472L445-C447 PolarHBondContact O-N 3.33Å; C447-K461 CarbonylContact C-O 3.55Å; C447-K461 VanDerWaalsContact CA-O 3.24Å; C447-K461 WeakPolarHBondContact CA-O 3.4Å; C447-K461 WeakPolarHBondContact CB-O 3.39Å; C447-G469 CarbonylContact O-C 3.53Å; C447-G469 WeakPolarHBondContact O-CA 3.16Å; C447-E470 PolarHBondContact N-O 3.04Å; C447-E470 PolarHBondContact O-N 3.24Å; C447-Q472 HydrophobicContact CB-CB 4.47Å; C447-Q472 HydrophobicContact CB-CG 4.33Å
448S80.1Confident71.8Confident4 Ų450.9 Ų50.93%0.02827%0.273CS..  trans-61.3155.2171.372.40000111.1E450 S451 K461S448-E450 PolarHBondContact O-N 3.25Å; S448-S451 WeakPolarHBondContact O-CB 3.46Å; S448-S451 PolarHBondContact O-N 3.46Å; S448-S451 VanDerWaalsContact O-N 3.17Å; S448-S451 PolarHBondContact OG-N 2.8Å; S448-S451 PolarHBondContact OG-OG 2.81Å; S448-K461 PolarHBondContact N-O 3.39Å
449K67.4Low70.8Confident98 Ų9849 Ų4943%0.42627%0.266SS..G310 helixtrans-63.6-23.3175-71.5-179.8173.9172.90112.6G95 S451 V452 T468G95-K449 PolarHBondContact O-NZ 3.09Å; K449-S451 VanDerWaalsContact C-N 3.32Å; K449-V452 WeakPolarHBondContact O-CB 3.22Å; K449-V452 PolarHBondContact O-N 3.1Å; K449-T468 VanDerWaalsContact CE-O 3.23Å; K449-T468 WeakPolarHBondContact CE-O 3.38Å; K449-T468 WeakPolarHBondContact CE-OG1 3.38Å; K449-T468 WeakPolarHBondContact CG-O 3.38Å; K449-T468 PolarHBondContact NZ-OG1 3.22Å; K449-T468 VanDerWaalsContact NZ-OG1 3.08Å
450E59.3Low70Confident66 Ų6647.7 Ų47.731%0.30827%0.265SS..G310 helixtrans-63.9-36.5175.5-165.7-170.4142.300111.6R248 S448 V452 K461R248-E450 IonicContact CZ-OE1 3.47Å; R248-E450 IonicContact NH1-OE1 2.83Å; R248-E450 PolarHBondContact NH1-OE1 3.03Å; R248-E450 IonicContact NH2-OE1 3.9Å; S448-E450 PolarHBondContact O-N 3.25Å; E450-V452 PolarHBondContact O-N 3.37Å; E450-K461 IonicContact OE1-NZ 2.81Å; E450-K461 PolarHBondContact OE1-NZ 3.21Å; E450-K461 IonicContact OE2-NZ 3.92Å
451S60.4Low69.5Low4 Ų451.3 Ų51.33%0.02828%0.28CS..G310 helixtrans-70.8-17.5179.7-60.80000114.1S448 K449 K453 A459 K461S448-S451 WeakPolarHBondContact O-CB 3.46Å; S448-S451 PolarHBondContact O-N 3.46Å; S448-S451 VanDerWaalsContact O-N 3.17Å; S448-S451 PolarHBondContact OG-N 2.8Å; S448-S451 PolarHBondContact OG-OG 2.81Å; K449-S451 VanDerWaalsContact C-N 3.32Å; S451-K453 VanDerWaalsContact C-N 3.31Å; S451-K453 PolarHBondContact O-N 3.42Å; S451-A459 PolarHBondContact OG-O 2.87Å; S451-A459 VanDerWaalsContact OG-O 3.13Å; S451-K461 PolarHBondContact OG-N 2.79Å; S451-K461 PolarHBondContact OG-O 3.12Å
452V53.5Low69.1Low58 Ų5853 Ų5335%0.35229%0.29SS..G310 helixtrans-72.3-23.8-175.6-175.60000112.9K449 E450 E470 Q472K449-V452 WeakPolarHBondContact O-CB 3.22Å; K449-V452 PolarHBondContact O-N 3.1Å; E450-V452 PolarHBondContact O-N 3.37Å; V452-E470 HydrophobicContact CG2-CB 4.32Å; V452-Q472 VanDerWaalsContact CA-NE2 3.34Å
453K47.8Very low68.5Low114 Ų11450.9 Ų50.950%0.49628%0.284SS..G310 helixtrans-84.6-20.7-175.6-67.6-178-179.9174.90114.2D286 S451D286-K453 PolarHBondContact O-NZ 3.5Å; D286-K453 IonicContact OD2-NZ 2.78Å; D286-K453 PolarHBondContact OD2-NZ 3.42Å; S451-K453 VanDerWaalsContact C-N 3.31Å; S451-K453 PolarHBondContact O-N 3.42Å
454N49.2Very low67.6Low58 Ų5853.3 Ų53.331%0.3131%0.305SS..  trans-107.6124.1-173.3-74.2-29.9000111.3A456 A459N454-A456 PolarHBondContact O-N 3.14Å; N454-A459 HydrophobicContact CB-CB 3.58Å
455S37.7Very low66.4Low137 Ų13760.1 Ų60.196%0.95835%0.349SS*.  trans-76.81.2-176.4-41.60000114.6
456A52.3Low64.9Low61 Ų6164.4 Ų64.450%0.50439%0.393SS..SBendtrans-97.2133.7-17600000111.5N454 E458 A459N454-A456 PolarHBondContact O-N 3.14Å; A456-E458 PolarHBondContact O-N 3.08Å; A456-E458 VanDerWaalsContact O-N 3.13Å; A456-A459 WeakPolarHBondContact O-CB 3.45Å; A456-A459 PolarHBondContact O-N 3.43Å
457T53.4Low64.2Low72 Ų7265.9 Ų65.944%0.44240%0.4SS..G310 helixtrans-49.7-36.5178.3-50.70000114.3A459 V474 P475T457-A459 VanDerWaalsContact C-N 3.26Å; T457-A459 PolarHBondContact O-N 3.46Å; T457-V474 HydrophobicContact CG2-CG1 4.41Å; T457-P475 HydrophobicContact CG2-CG 3.9Å; T457-P475 WeakPolarHBondContact CG2-O 3.23Å; T457-P475 WeakPolarHBondContact OG1-CG 3.49Å
458E56.2Low63.5Low162 Ų16270.4 Ų70.476%0.75743%0.428SS*.G310 helixtrans-75.6-12.9-175.4-65170.7-17600113.1A456A456-E458 PolarHBondContact O-N 3.08Å; A456-E458 VanDerWaalsContact O-N 3.13Å
459A60.6Low63.4Low26 Ų2670.6 Ų70.622%0.21543%0.43CS..G310 helixtrans-89.5-2.918000000113.7S451 N454 A456 T457S451-A459 PolarHBondContact OG-O 2.87Å; S451-A459 VanDerWaalsContact OG-O 3.13Å; N454-A459 HydrophobicContact CB-CB 3.58Å; A456-A459 WeakPolarHBondContact O-CB 3.45Å; A456-A459 PolarHBondContact O-N 3.43Å; T457-A459 VanDerWaalsContact C-N 3.26Å; T457-A459 PolarHBondContact O-N 3.46Å
460A69.4Low64.2Low18 Ų1867.3 Ų67.315%0.14942%0.416CS..  trans-69.7131.9177.300000110.7F415 V474F415-A460 HydrophobicContact CE1-CB 4.12Å; F415-A460 HydrophobicContact CZ-CB 4.34Å; F415-A460 VanDerWaalsContact CZ-O 3.3Å; F415-A460 WeakPolarHBondContact CZ-O 3.2Å; A460-V474 HydrophobicContact CB-CG1 3.8Å; A460-V474 HydrophobicContact CB-CG2 4.03Å
461K77.8Confident65.5Low86 Ų8664.2 Ų64.237%0.37440%0.401SS..  trans-133.8144.3175.9-67.4-179.7-177169.70109C447 S448 E450 S451C447-K461 CarbonylContact C-O 3.55Å; C447-K461 VanDerWaalsContact CA-O 3.24Å; C447-K461 WeakPolarHBondContact CA-O 3.4Å; C447-K461 WeakPolarHBondContact CB-O 3.39Å; S448-K461 PolarHBondContact N-O 3.39Å; E450-K461 IonicContact OE1-NZ 2.81Å; E450-K461 PolarHBondContact OE1-NZ 3.21Å; E450-K461 IonicContact OE2-NZ 3.92Å; S451-K461 PolarHBondContact OG-N 2.79Å; S451-K461 PolarHBondContact OG-O 3.12Å
462P83Confident66.7Low35 Ų3565.5 Ų65.523%0.22741%0.407CS..BIsolated β-bridgetrans-67.1153.9175.230.7-36.5000111.1T413 D414 F415T413-P462 HydrophobicContact CG2-CG 3.39Å; D414-P462 WeakPolarHBondContact O-CB 3.29Å; F415-P462 HydrophobicContact CD1-CB 4.1Å; F415-P462 HydrophobicContact CG-CB 4.32Å
463A78.7Confident68.3Low21 Ų2165.5 Ų65.517%0.17441%0.407CS..PPolyproline II helixtrans-70.2137169.600000110.3H446H446-A463 PolarHBondContact O-N 2.84Å
464A74Confident70.2Confident52 Ų5260.4 Ų60.443%0.4339%0.385SS..PPolyproline II helixtrans-67.3157.5176.700000111.6G466 E467A464-G466 PolarHBondContact O-N 2.87Å; A464-G466 VanDerWaalsContact O-N 3.08Å; A464-E467 HydrophobicContact CB-CB 4.14Å; A464-E467 PolarHBondContact N-OE2 2.91Å; A464-E467 VanDerWaalsContact O-CB 3.28Å; A464-E467 WeakPolarHBondContact O-CB 3.42Å; A464-E467 PolarHBondContact O-N 3.46Å
465P66.7Low72Confident143 Ų14359.5 Ų59.593%0.92938%0.383SS*.THydrogen-bonded Turntrans-55.3117.3176.1-2433.6000111.6
466G60.8Low74.4Confident89 Ų8953.4 Ų53.492%0.91834%0.34SS*.THydrogen-bonded Turntrans87.3-3.3-177.400000115.5A464A464-G466 PolarHBondContact O-N 2.87Å; A464-G466 VanDerWaalsContact O-N 3.08Å
467E73.9Confident76Confident80 Ų8054.1 Ų54.137%0.37433%0.334SS..  trans-79.3139.2174-168.5-171.816800111.4A464 G469A464-E467 HydrophobicContact CB-CB 4.14Å; A464-E467 PolarHBondContact N-OE2 2.91Å; A464-E467 VanDerWaalsContact O-CB 3.28Å; A464-E467 WeakPolarHBondContact O-CB 3.42Å; A464-E467 PolarHBondContact O-N 3.46Å; E467-G469 PolarHBondContact O-N 3.46Å
468T72.2Confident77.6Confident95 Ų9551.3 Ų51.358%0.58332%0.316SS*.  trans-73.59117159.70000110.2K449K449-T468 VanDerWaalsContact CE-O 3.23Å; K449-T468 WeakPolarHBondContact CE-O 3.38Å; K449-T468 WeakPolarHBondContact CE-OG1 3.38Å; K449-T468 WeakPolarHBondContact CG-O 3.38Å; K449-T468 PolarHBondContact NZ-OG1 3.22Å; K449-T468 VanDerWaalsContact NZ-OG1 3.08Å
469G76.1Confident79Confident7 Ų749.5 Ų49.57%0.07231%0.307CS..  trans-86.9171.6172.700000114.3H446 C447 E467H446-G469 WeakPolarHBondContact NE2-CA 3.45Å; H446-G469 PolarHBondContact NE2-N 3.31Å; H446-G469 PolarHBondContact NE2-O 3.27Å; C447-G469 CarbonylContact O-C 3.53Å; C447-G469 WeakPolarHBondContact O-CA 3.16Å; E467-G469 PolarHBondContact O-N 3.46Å
470E84.4Confident80.3Confident30 Ų3049.4 Ų49.414%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-119.6141.5177.7177.1174.5167.300110.9C447 V452 Q472 F498 R501C447-E470 PolarHBondContact N-O 3.04Å; C447-E470 PolarHBondContact O-N 3.24Å; V452-E470 HydrophobicContact CG2-CB 4.32Å; E470-Q472 HydrophobicContact CG-CG 4.34Å; E470-Q472 PolarHBondContact O-N 3.41Å; E470-F498 HydrophobicContact CB-CE2 4.27Å; E470-F498 HydrophobicContact CG-CD2 3.97Å; E470-F498 HydrophobicContact CG-CE2 3.6Å; E470-F498 WeakPolarHBondContact OE1-CD2 3.4Å; E470-R501 IonicContact OE1-CZ 3.56Å; E470-R501 IonicContact OE1-NH1 2.84Å; E470-R501 PolarHBondContact OE1-NH1 3.47Å; E470-R501 IonicContact OE1-NH2 3.51Å; E470-R501 PolarHBondContact OE1-NH2 3.4Å
471M86.9Confident81.3Confident0 Ų048.6 Ų48.60%030%0.296CS..EExtended strand (participates in β ladder)trans-74.2120173.1-70.6-63-81.600110.8L444 L445 H446 R501 M504 L505 I508L444-M471 HydrophobicContact CB-CE 4.46Å; L444-M471 HydrophobicContact CD1-CB 4.28Å; L444-M471 HydrophobicContact CD2-CB 4.31Å; L444-M471 HydrophobicContact CD2-CE 3.77Å; L444-M471 HydrophobicContact CG-CB 4.16Å; L444-M471 HydrophobicContact CG-CE 3.78Å; L445-M471 CarbonylContact O-C 3.57Å; L445-M471 VanDerWaalsContact O-CA 3.28Å; L445-M471 WeakPolarHBondContact O-CA 3.43Å; H446-M471 HydrophobicContact CB-SD 3.75Å; M471-R501 HydrophobicContact CB-CB 3.87Å; M471-R501 WeakPolarHBondContact CB-O 3.26Å; M471-R501 WeakPolarHBondContact CG-O 3.42Å; M471-R501 WeakPolarHBondContact O-CD 3.39Å; M471-R501 PolarHBondContact O-NH1 3.04Å; M471-M504 HydrophobicContact CE-CB 4.22Å; M471-L505 HydrophobicContact CG-CB 3.72Å; M471-L505 HydrophobicContact SD-CB 4.06Å; M471-L505 HydrophobicContact SD-CD1 3.95Å; M471-I508 HydrophobicContact CE-CD1 3.53Å
472Q85.8Confident81.8Confident31 Ų3145.6 Ų45.615%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-127.4144.6-178.1-65-153-46.100112.6L444 L445 C447 V452 E470 V474L444-Q472 CarbonylContact C-O 3.56Å; L444-Q472 VanDerWaalsContact CA-O 3.27Å; L444-Q472 WeakPolarHBondContact CA-O 3.28Å; L445-Q472 PolarHBondContact N-O 2.83Å; L445-Q472 PolarHBondContact O-N 3.1Å; C447-Q472 HydrophobicContact CB-CB 4.47Å; C447-Q472 HydrophobicContact CB-CG 4.33Å; V452-Q472 VanDerWaalsContact CA-NE2 3.34Å; E470-Q472 HydrophobicContact CG-CG 4.34Å; E470-Q472 PolarHBondContact O-N 3.41Å; Q472-V474 HydrophobicContact CB-CG2 4.25Å; Q472-V474 PolarHBondContact O-N 3.5Å
473V88.1Confident82.1Confident58 Ų5845.1 Ų45.135%0.35228%0.283SS..EExtended strand (participates in β ladder)trans-83108173.9-175.70000107.9V421 E442 L444V421-V473 HydrophobicContact CG2-CG1 4.3Å; V421-V473 HydrophobicContact CG2-CG2 4.2Å; E442-V473 HydrophobicContact CB-CG1 3.87Å; E442-V473 HydrophobicContact CG-CG1 4.47Å; L444-V473 HydrophobicContact CD1-CG2 3.57Å
474V86.9Confident82.8Confident7 Ų744.5 Ų44.54%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-111.3124.2-178.5-174.70000108.6V443 L445 T457 A460 Q472 V476V443-V474 PolarHBondContact N-O 2.95Å; V443-V474 PolarHBondContact O-N 2.99Å; L445-V474 HydrophobicContact CD1-CB 4.16Å; L445-V474 HydrophobicContact CD1-CG2 4.41Å; T457-V474 HydrophobicContact CG2-CG1 4.41Å; A460-V474 HydrophobicContact CB-CG1 3.8Å; A460-V474 HydrophobicContact CB-CG2 4.03Å; Q472-V474 HydrophobicContact CB-CG2 4.25Å; Q472-V474 PolarHBondContact O-N 3.5Å; V474-V476 HydrophobicContact CB-CG1 4.4Å; V474-V476 HydrophobicContact CG1-CG1 3.97Å; V474-V476 PolarHBondContact O-N 2.51Å
475P86.8Confident83.8Confident40 Ų4042 Ų4226%0.2626%0.256SS..EExtended strand (participates in β ladder)trans-78.998.2176.929.9-31.8000110.4V440 V441 E442 T457V440-P475 HydrophobicContact CG1-CB 3.55Å; V441-P475 CarbonylContact O-C 3.55Å; E442-P475 HydrophobicContact CG-CB 4.41Å; T457-P475 HydrophobicContact CG2-CG 3.9Å; T457-P475 WeakPolarHBondContact CG2-O 3.23Å; T457-P475 WeakPolarHBondContact OG1-CG 3.49Å
476V87.9Confident85.1Confident9 Ų937.8 Ų37.86%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-96.5150.4-177.4-60.20000112.1V408 V441 V443 L445 V474 L480 L481V408-V476 HydrophobicContact CG1-CG1 4.19Å; V408-V476 HydrophobicContact CG2-CG2 4.37Å; V441-V476 HydrophobicContact CB-CG2 4.3Å; V441-V476 PolarHBondContact N-O 3.4Å; V441-V476 WeakPolarHBondContact O-CG2 3.35Å; V441-V476 PolarHBondContact O-N 3.18Å; V443-V476 HydrophobicContact CB-CG2 4.32Å; V443-V476 HydrophobicContact CG2-CG2 3.67Å; L445-V476 HydrophobicContact CD1-CG1 4.2Å; V474-V476 HydrophobicContact CB-CG1 4.4Å; V474-V476 HydrophobicContact CG1-CG1 3.97Å; V474-V476 PolarHBondContact O-N 2.51Å; V476-L480 HydrophobicContact CB-CD1 4.23Å; V476-L481 HydrophobicContact CG2-CD2 4.24Å
477M86.6Confident86.6Confident76 Ų7634.8 Ų34.837%0.37419%0.193SC..EExtended strand (participates in β ladder)trans-70.7145171-65.8-64.8-173.700110.4V440 H479 L480V440-M477 HydrophobicContact CG2-SD 4.11Å; M477-H479 VanDerWaalsContact CB-CE1 3.4Å; M477-H479 WeakPolarHBondContact CB-CE1 3.4Å; M477-H479 PolarHBondContact O-N 2.94Å; M477-H479 VanDerWaalsContact O-N 3.13Å; M477-L480 HydrophobicContact CB-CD1 4.29Å; M477-L480 HydrophobicContact CB-CG 4.31Å; M477-L480 WeakPolarHBondContact O-CB 3.39Å; M477-L480 PolarHBondContact O-N 2.81Å
478L87.2Confident87.6Confident13 Ų1337.3 Ų37.37%0.06820%0.2CC..G310 helixtrans-52.4-37.5-176.7-17563.1000114.1H391 P393 C396 L400 Y439 V441 L480 L481H391-L478 VanDerWaalsContact O-CD2 3.29Å; H391-L478 WeakPolarHBondContact O-CD2 3.43Å; P393-L478 HydrophobicContact CB-CD2 4.21Å; P393-L478 HydrophobicContact CG-CD2 3.79Å; C396-L478 VanDerWaalsContact SG-CD1 3.57Å; L400-L478 HydrophobicContact CD1-CD1 3.85Å; Y439-L478 HydrophobicContact CG-CD2 4.48Å; Y439-L478 PolarHBondContact O-N 2.84Å; V441-L478 HydrophobicContact CG2-CD1 4.07Å; L478-L480 PolarHBondContact O-N 3.49Å; L478-L481 HydrophobicContact CD1-CD1 3.92Å; L478-L481 WeakPolarHBondContact O-CB 3.2Å; L478-L481 PolarHBondContact O-N 3.24Å
479H85.4Confident88.6Confident123 Ų12334.1 Ų34.157%0.56918%0.179SC*.G310 helixtrans-69.5-11.8-178.266.5-98.6000114.3H391 M477 L481H391-H479 PolarHBondContact CE1-O 3.44Å; H391-H479 PolarHBondContact ND1-O 2.88Å; M477-H479 VanDerWaalsContact CB-CE1 3.4Å; M477-H479 WeakPolarHBondContact CB-CE1 3.4Å; M477-H479 PolarHBondContact O-N 2.94Å; M477-H479 VanDerWaalsContact O-N 3.13Å; H479-L481 VanDerWaalsContact C-N 3.29Å
480L88.1Confident89.4Confident24 Ų2442.8 Ų42.813%0.12621%0.21CC..G310 helixtrans-82.5-7.1177.3-56.6178.5000112.5V408 K409 N410 V476 M477 L478 T482V408-L480 WeakPolarHBondContact CA-O 3.3Å; V408-L480 HydrophobicContact CG1-CB 4.39Å; K409-L480 PolarHBondContact N-O 3.47Å; N410-L480 HydrophobicContact CB-CD2 4.28Å; V476-L480 HydrophobicContact CB-CD1 4.23Å; M477-L480 HydrophobicContact CB-CD1 4.29Å; M477-L480 HydrophobicContact CB-CG 4.31Å; M477-L480 WeakPolarHBondContact O-CB 3.39Å; M477-L480 PolarHBondContact O-N 2.81Å; L478-L480 PolarHBondContact O-N 3.49Å; L480-T482 PolarHBondContact O-N 2.9Å
481L89.5Confident89.6Confident2 Ų243 Ų431%0.0121%0.212CC..  trans-85.477.7-177.2-64.2176.4000113H391 L400 V406 K407 V408 V441 V443 V476 L478 H479 S483H391-L481 PolarHBondContact CD2-O 2.9Å; H391-L481 PolarHBondContact NE2-O 3.27Å; L400-L481 HydrophobicContact CD1-CD1 4.44Å; L400-L481 HydrophobicContact CD2-CD1 3.96Å; V406-L481 HydrophobicContact CB-CD2 4Å; V406-L481 HydrophobicContact CG2-CD2 3.89Å; K407-L481 CarbonylContact O-C 3.58Å; K407-L481 WeakPolarHBondContact O-CA 3.46Å; V408-L481 HydrophobicContact CG2-CD2 3.68Å; V441-L481 HydrophobicContact CB-CD1 4.38Å; V441-L481 HydrophobicContact CG1-CD1 4.39Å; V441-L481 HydrophobicContact CG2-CD1 4Å; V443-L481 HydrophobicContact CG2-CD2 4.19Å; V476-L481 HydrophobicContact CG2-CD2 4.24Å; L478-L481 HydrophobicContact CD1-CD1 3.92Å; L478-L481 WeakPolarHBondContact O-CB 3.2Å; L478-L481 PolarHBondContact O-N 3.24Å; H479-L481 VanDerWaalsContact C-N 3.29Å; L481-S483 PolarHBondContact O-N 3.33Å
482T88.1Confident89.7Confident23 Ų2344.1 Ų44.114%0.14122%0.22CC..  trans-55.7-26.4-177.654.50000117.1Q387 K407 K409 L480Q387-T482 PolarHBondContact NE2-O 2.91Å; Q387-T482 VanDerWaalsContact NE2-O 3.14Å; K407-T482 PolarHBondContact O-N 3.38Å; K407-T482 PolarHBondContact O-OG1 2.79Å; K409-T482 HydrophobicContact CB-CG2 3.45Å; K409-T482 VanDerWaalsContact CB-CG2 3.45Å; K409-T482 HydrophobicContact CD-CG2 4.39Å; L480-T482 PolarHBondContact O-N 2.9Å
483S90.2Very high89.6Confident25 Ų2552.8 Ų52.818%0.17526%0.257CS..EExtended strand (participates in β ladder)trans-153.7145.1-178.7-54.30000111.8V406 K407 L481V406-S483 CarbonylContact C-O 3.52Å; V406-S483 WeakPolarHBondContact CA-O 3.24Å; K407-S483 PolarHBondContact N-O 3.32Å; L481-S483 PolarHBondContact O-N 3.33Å
484I93.6Very high89.4Confident8 Ų852.5 Ų52.54%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-121.4127175.8-51.5176.6000108.1I390 C396 F399 L400 R404 V406 L522 M528I390-I484 HydrophobicContact CG2-CD1 4.23Å; C396-I484 HydrophobicContact CB-CD1 3.71Å; F399-I484 HydrophobicContact CB-CG2 4.38Å; L400-I484 HydrophobicContact CD2-CD1 4.39Å; R404-I484 HydrophobicContact CG-CG2 4.27Å; V406-I484 HydrophobicContact CG1-CG1 4.36Å; V406-I484 HydrophobicContact CG1-CG2 4.25Å; I484-L522 HydrophobicContact CB-CD1 4.21Å; I484-L522 HydrophobicContact CG2-CD1 3.57Å; I484-L522 HydrophobicContact CG2-CG 4.44Å; I484-L522 PolarHBondContact O-N 3.16Å; I484-M528 HydrophobicContact CD1-CE 4.4Å
485S94.7Very high89.3Confident0 Ų053.4 Ų53.40%026%0.258CS..EExtended strand (participates in β ladder)trans-93.5152.4-178.1174.70000112.7R404 L405 V487 V519 P520R404-S485 VanDerWaalsContact CD-O 3.27Å; R404-S485 WeakPolarHBondContact CD-O 3.37Å; R404-S485 WeakPolarHBondContact CG-O 3.33Å; R404-S485 PolarHBondContact NH1-O 3.4Å; L405-S485 WeakPolarHBondContact O-CB 3.4Å; L405-S485 PolarHBondContact O-N 3.02Å; S485-V487 PolarHBondContact O-N 3.32Å; S485-V487 WeakPolarHBondContact OG-CB 3.49Å; S485-V487 PolarHBondContact OG-N 3.15Å; S485-V519 VanDerWaalsContact OG-CG1 3.28Å; S485-V519 WeakPolarHBondContact OG-CG1 3.38Å; S485-P520 VanDerWaalsContact CA-O 3.29Å; S485-P520 WeakPolarHBondContact CA-O 3.25Å; S485-P520 VanDerWaalsContact CB-O 3.3Å; S485-P520 WeakPolarHBondContact CB-O 3.45Å; S485-P520 PolarHBondContact OG-O 3.14Å
486S93.1Very high89Confident54 Ų5461.1 Ų61.138%0.37828%0.282SS..EExtended strand (participates in β ladder)trans-67.5-21.5168.860.60000112.8R404 P520R404-S486 VanDerWaalsContact NH1-C 3.25Å; R404-S486 PolarHBondContact NH1-O 3.08Å; S486-P520 PolarHBondContact N-O 3.37Å; S486-P520 VanDerWaalsContact N-O 3.1Å; S486-P520 PolarHBondContact OG-O 3.43Å
487V94Very high88.9Confident26 Ų2662.4 Ų62.416%0.15829%0.29CS..EExtended strand (participates in β ladder)trans-72.8134.4-178.5-178.30000111.9L405 S485 L489 V511 F515 V519 P520L405-V487 HydrophobicContact CD1-CB 4.03Å; L405-V487 HydrophobicContact CD1-CG1 3.89Å; L405-V487 HydrophobicContact CG-CG1 4.46Å; L405-V487 PolarHBondContact N-O 3.33Å; L405-V487 VanDerWaalsContact N-O 3.12Å; S485-V487 PolarHBondContact O-N 3.32Å; S485-V487 WeakPolarHBondContact OG-CB 3.49Å; S485-V487 PolarHBondContact OG-N 3.15Å; V487-L489 HydrophobicContact CG1-CD2 4.42Å; V487-V511 HydrophobicContact CG1-CG1 4.23Å; V487-V511 HydrophobicContact CG1-CG2 4.1Å; V487-V511 HydrophobicContact CG2-CG1 4.36Å; V487-F515 HydrophobicContact CG2-CE2 4.46Å; V487-V519 HydrophobicContact CG2-CG1 4.11Å; V487-P520 HydrophobicContact CG2-CG 3.81Å
488R94.2Very high88.6Confident133 Ų13363.4 Ų63.450%0.50229%0.293SS..EExtended strand (participates in β ladder)trans-120.3131.6167.6-61.8-178.675.1-177.5-7.8110.4Q401 P402 G403 R404Q401-R488 VanDerWaalsContact OE1-CZ 3.23Å; P402-R488 PolarHBondContact O-NH2 3.22Å; G403-R488 CarbonylContact O-C 3.38Å; G403-R488 WeakPolarHBondContact O-CA 3.32Å; R404-R488 HydrophobicContact CB-CG 4.45Å; R404-R488 VanDerWaalsContact CZ-CG 3.46Å; R404-R488 VanDerWaalsContact NH2-CG 3.31Å
489L92.9Very high88.5Confident28 Ų2868 Ų6815%0.14732%0.317CS..  trans-96.6149.4173.3-63.6179.9000110.8G403 L405 V419 V487 I491 M504 I508 V511G403-L489 VanDerWaalsContact CA-O 3.28Å; G403-L489 WeakPolarHBondContact CA-O 3.46Å; G403-L489 PolarHBondContact O-N 3.26Å; L405-L489 HydrophobicContact CD1-CD1 4.48Å; L405-L489 HydrophobicContact CD2-CD1 3.83Å; L405-L489 HydrophobicContact CD2-CG 4.45Å; L405-L489 HydrophobicContact CG-CD1 4.27Å; L405-L489 HydrophobicContact CG-CG 4.39Å; V419-L489 HydrophobicContact CG2-CD1 4.21Å; V487-L489 HydrophobicContact CG1-CD2 4.42Å; L489-I491 PolarHBondContact O-N 3.41Å; L489-M504 HydrophobicContact CB-CE 3.84Å; L489-M504 HydrophobicContact CD1-CE 3.87Å; L489-I508 HydrophobicContact CD1-CG1 3.97Å; L489-V511 HydrophobicContact CD2-CG2 3.7Å
490Y92.3Very high88.5Confident188 Ų18864.5 Ų64.574%0.73730%0.303SS*.  trans-68.8123.9167.7178.1-95.1000109.3
491I90.1Very high88.5Confident35 Ų3565.1 Ų65.118%0.17930%0.303CS..  trans-104.7131.1178.8-150.3167.2000110V419 V421 L489 L495 M504V419-I491 HydrophobicContact CG1-CD1 4.05Å; V421-I491 HydrophobicContact CG2-CD1 4.07Å; L489-I491 PolarHBondContact O-N 3.41Å; I491-L495 HydrophobicContact CD1-CD1 3.77Å; I491-L495 HydrophobicContact CG1-CD1 4.05Å; I491-L495 HydrophobicContact CG1-CD2 4.13Å; I491-L495 HydrophobicContact CG1-CG 4.49Å; I491-M504 HydrophobicContact CG1-SD 4.46Å
492P88.6Confident88.3Confident24 Ų2467.3 Ų67.316%0.15631%0.313CS..  trans-57.6145.1172.3-2533.6000111.7D494 L495 N500 M504P492-D494 PolarHBondContact O-N 3.06Å; P492-L495 HydrophobicContact CB-CD2 4.38Å; P492-L495 HydrophobicContact CG-CD2 4.37Å; P492-N500 HydrophobicContact CB-CB 4.27Å; P492-N500 HydrophobicContact CG-CB 4.28Å; P492-M504 VanDerWaalsContact CD-SD 3.55Å; P492-M504 HydrophobicContact CG-SD 4.41Å
493K84.1Confident88.3Confident213 Ų21370.5 Ų70.593%0.92633%0.329SS*.SBendtrans-64.2-25.4178.2-67.5-174.5179.1-178.70113.6
494D83.9Confident88.4Confident52 Ų5269.4 Ų69.428%0.27832%0.322SS..  trans-125113.3177.1-169.3-4.5000110P492 R496 P497 N500P492-D494 PolarHBondContact O-N 3.06Å; D494-R496 VanDerWaalsContact OD1-CB 3.29Å; D494-R496 WeakPolarHBondContact OD1-CB 3.47Å; D494-R496 WeakPolarHBondContact OD1-CG 3.28Å; D494-R496 IonicContact OD1-CZ 2.78Å; D494-R496 PolarHBondContact OD1-N 2.7Å; D494-R496 IonicContact OD1-NE 3.74Å; D494-R496 PolarHBondContact OD1-NE 3.32Å; D494-R496 IonicContact OD1-NH2 2.7Å; D494-R496 IonicContact OD2-CZ 3.45Å; D494-R496 IonicContact OD2-NE 3.7Å; D494-R496 PolarHBondContact OD2-NE 3.08Å; D494-R496 IonicContact OD2-NH2 2.88Å; D494-R496 PolarHBondContact OD2-NH2 3.46Å; D494-P497 WeakPolarHBondContact OD1-CD 3.43Å; D494-N500 WeakPolarHBondContact O-CB 3.47Å; D494-N500 PolarHBondContact O-ND2 2.92Å
495L84.3Confident88.2Confident25 Ų2570 Ų7013%0.13133%0.325CS..  trans-99.14.7177.5-66.5174.2000112.7V421 I491 P492 R501V421-L495 HydrophobicContact CB-CD1 4.43Å; V421-L495 HydrophobicContact CG1-CD1 3.79Å; V421-L495 HydrophobicContact CG2-CD1 3.74Å; I491-L495 HydrophobicContact CD1-CD1 3.77Å; I491-L495 HydrophobicContact CG1-CD1 4.05Å; I491-L495 HydrophobicContact CG1-CD2 4.13Å; I491-L495 HydrophobicContact CG1-CG 4.49Å; P492-L495 HydrophobicContact CB-CD2 4.38Å; P492-L495 HydrophobicContact CG-CD2 4.37Å; L495-R501 HydrophobicContact CB-CG 4.25Å; L495-R501 HydrophobicContact CD2-CG 4.45Å; L495-R501 WeakPolarHBondContact O-CD 3.34Å; L495-R501 WeakPolarHBondContact O-CG 3.46Å; L495-R501 PolarHBondContact O-NE 3.37Å
496R80.8Confident87.9Confident203 Ų20376.5 Ų76.577%0.76635%0.353SS*.  trans-65.8-40.8174-60.8171.6-66.7-178.52.4112.4D494 F498D494-R496 VanDerWaalsContact OD1-CB 3.29Å; D494-R496 WeakPolarHBondContact OD1-CB 3.47Å; D494-R496 WeakPolarHBondContact OD1-CG 3.28Å; D494-R496 IonicContact OD1-CZ 2.78Å; D494-R496 PolarHBondContact OD1-N 2.7Å; D494-R496 IonicContact OD1-NE 3.74Å; D494-R496 PolarHBondContact OD1-NE 3.32Å; D494-R496 IonicContact OD1-NH2 2.7Å; D494-R496 IonicContact OD2-CZ 3.45Å; D494-R496 IonicContact OD2-NE 3.7Å; D494-R496 PolarHBondContact OD2-NE 3.08Å; D494-R496 IonicContact OD2-NH2 2.88Å; D494-R496 PolarHBondContact OD2-NH2 3.46Å; R496-F498 PolarHBondContact O-N 3.16Å
497P86.1Confident87.9Confident36 Ų3676.1 Ų76.123%0.23435%0.35CS..SBendtrans-64.7135.4177.1-21.334.4000112D494 D499 N500 R501D494-P497 WeakPolarHBondContact OD1-CD 3.43Å; P497-D499 VanDerWaalsContact C-N 3.33Å; P497-D499 PolarHBondContact O-N 2.89Å; P497-N500 HydrophobicContact CB-CB 4.29Å; P497-N500 PolarHBondContact O-N 3.09Å; P497-R501 PolarHBondContact O-N 3.33Å
498F80.1Confident87.8Confident96 Ų9675.2 Ų75.242%0.42134%0.344SS..Hα-helixtrans-55.8-46.4176.5175.7-93000112.1E470 R496 N500 R501 Q502E470-F498 HydrophobicContact CB-CE2 4.27Å; E470-F498 HydrophobicContact CG-CD2 3.97Å; E470-F498 HydrophobicContact CG-CE2 3.6Å; E470-F498 WeakPolarHBondContact OE1-CD2 3.4Å; R496-F498 PolarHBondContact O-N 3.16Å; F498-N500 VanDerWaalsContact C-N 3.29Å; F498-N500 PolarHBondContact O-N 3.27Å; F498-R501 PolarHBondContact O-N 3.08Å; F498-R501 VanDerWaalsContact O-N 3.08Å; F498-Q502 HydrophobicContact CE1-CB 4.34Å; F498-Q502 PolarHBondContact O-N 2.61Å
499D84.1Confident87.6Confident110 Ų11072.9 Ų72.959%0.58834%0.339SS*.Hα-helixtrans-60.1-39.4-177.5-56.5-43.6000112.3P497 R501 Q502 L503P497-D499 VanDerWaalsContact C-N 3.33Å; P497-D499 PolarHBondContact O-N 2.89Å; D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.4Å; D499-Q502 PolarHBondContact O-N 2.9Å; D499-L503 VanDerWaalsContact O-CG 3.31Å; D499-L503 WeakPolarHBondContact O-CG 3.47Å; D499-L503 PolarHBondContact O-N 3.38Å
500N86.6Confident87.5Confident49 Ų4977 Ų7726%0.26236%0.358SS..Hα-helixtrans-66.3-37.1177.9-71.50.3000111.9P492 D494 P497 F498P492-N500 HydrophobicContact CB-CB 4.27Å; P492-N500 HydrophobicContact CG-CB 4.28Å; D494-N500 WeakPolarHBondContact O-CB 3.47Å; D494-N500 PolarHBondContact O-ND2 2.92Å; P497-N500 HydrophobicContact CB-CB 4.29Å; P497-N500 PolarHBondContact O-N 3.09Å; F498-N500 VanDerWaalsContact C-N 3.29Å; F498-N500 PolarHBondContact O-N 3.27Å
501R86.8Confident87.5Confident37 Ų3768.8 Ų68.814%0.1433%0.327CS..Hα-helixtrans-69.8-41174.7-67.2-174.7-75.9133.20.1111L444 E470 M471 L495 P497 F498 D499 L503 M504L444-R501 HydrophobicContact CD1-CB 4.42Å; L444-R501 HydrophobicContact CD1-CG 4.05Å; E470-R501 IonicContact OE1-CZ 3.56Å; E470-R501 IonicContact OE1-NH1 2.84Å; E470-R501 PolarHBondContact OE1-NH1 3.47Å; E470-R501 IonicContact OE1-NH2 3.51Å; E470-R501 PolarHBondContact OE1-NH2 3.4Å; M471-R501 HydrophobicContact CB-CB 3.87Å; M471-R501 WeakPolarHBondContact CB-O 3.26Å; M471-R501 WeakPolarHBondContact CG-O 3.42Å; M471-R501 WeakPolarHBondContact O-CD 3.39Å; M471-R501 PolarHBondContact O-NH1 3.04Å; L495-R501 HydrophobicContact CB-CG 4.25Å; L495-R501 HydrophobicContact CD2-CG 4.45Å; L495-R501 WeakPolarHBondContact O-CD 3.34Å; L495-R501 WeakPolarHBondContact O-CG 3.46Å; L495-R501 PolarHBondContact O-NE 3.37Å; P497-R501 PolarHBondContact O-N 3.33Å; F498-R501 PolarHBondContact O-N 3.08Å; F498-R501 VanDerWaalsContact O-N 3.08Å; D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.4Å; R501-L503 PolarHBondContact O-N 2.64Å; R501-M504 WeakPolarHBondContact O-CB 3.32Å; R501-M504 PolarHBondContact O-N 3.45Å; R501-M504 VanDerWaalsContact O-N 3.09Å
502Q85.4Confident87.5Confident48 Ų4871.2 Ų71.222%0.22434%0.338CS..Hα-helixtrans-71.8-28.4-179.3-157.865.8-0.600113.4F498 D499 M504 L505 K506F498-Q502 HydrophobicContact CE1-CB 4.34Å; F498-Q502 PolarHBondContact O-N 2.61Å; D499-Q502 PolarHBondContact O-N 2.9Å; Q502-M504 PolarHBondContact O-N 2.99Å; Q502-L505 WeakPolarHBondContact O-CB 3.46Å; Q502-L505 PolarHBondContact O-N 3.36Å; Q502-K506 PolarHBondContact O-N 3.21Å
503L88.8Confident87.7Confident90 Ų9077.3 Ų77.347%0.47136%0.362SS..Hα-helixtrans-57.1-35.6168.2-78.2170.8000111.7D499 R501 L505 K506 S507D499-L503 VanDerWaalsContact O-CG 3.31Å; D499-L503 WeakPolarHBondContact O-CG 3.47Å; D499-L503 PolarHBondContact O-N 3.38Å; R501-L503 PolarHBondContact O-N 2.64Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.42Å; L503-K506 PolarHBondContact O-N 3.41Å; L503-S507 PolarHBondContact O-N 2.81Å; L503-S507 VanDerWaalsContact O-N 3.13Å; L503-S507 PolarHBondContact O-OG 3.49Å
504M91.4Very high88.1Confident3 Ų376.8 Ų76.82%0.01535%0.354CS..Hα-helixtrans-66.1-35.3178.2-63.9-48.2-43.900113V419 L444 M471 L489 I491 P492 R501 Q502 K506 S507 I508V419-M504 HydrophobicContact CG2-CE 4.19Å; L444-M504 HydrophobicContact CD2-CB 3.58Å; L444-M504 HydrophobicContact CD2-CG 3.62Å; M471-M504 HydrophobicContact CE-CB 4.22Å; L489-M504 HydrophobicContact CB-CE 3.84Å; L489-M504 HydrophobicContact CD1-CE 3.87Å; I491-M504 HydrophobicContact CG1-SD 4.46Å; P492-M504 VanDerWaalsContact CD-SD 3.55Å; P492-M504 HydrophobicContact CG-SD 4.41Å; R501-M504 WeakPolarHBondContact O-CB 3.32Å; R501-M504 PolarHBondContact O-N 3.45Å; R501-M504 VanDerWaalsContact O-N 3.09Å; Q502-M504 PolarHBondContact O-N 2.99Å; M504-K506 VanDerWaalsContact C-N 3.31Å; M504-K506 PolarHBondContact O-N 3.42Å; M504-S507 WeakPolarHBondContact O-CB 3.45Å; M504-S507 PolarHBondContact O-N 3.16Å; M504-I508 WeakPolarHBondContact O-CG1 3.13Å; M504-I508 PolarHBondContact O-N 2.95Å
505L89.5Confident88.4Confident20 Ų2078 Ų7811%0.10536%0.357CS..Hα-helixtrans-59.6-43.8174.9-175.662.8000111.3H446 M471 Q502 L503 S507 I508 Q509H446-L505 HydrophobicContact CB-CD1 4.17Å; M471-L505 HydrophobicContact CG-CB 3.72Å; M471-L505 HydrophobicContact SD-CB 4.06Å; M471-L505 HydrophobicContact SD-CD1 3.95Å; Q502-L505 WeakPolarHBondContact O-CB 3.46Å; Q502-L505 PolarHBondContact O-N 3.36Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.42Å; L505-S507 VanDerWaalsContact C-N 3.33Å; L505-S507 PolarHBondContact O-N 3.32Å; L505-I508 PolarHBondContact O-N 3.33Å; L505-Q509 WeakPolarHBondContact O-CG 3.45Å; L505-Q509 PolarHBondContact O-N 3.02Å
506K89.3Confident88.5Confident136 Ų13681.9 Ų81.959%0.59138%0.383SS*.Hα-helixtrans-62-41.9176.8-63.7-175.8180179.90111.4Q502 L503 M504 Q509 E510Q502-K506 PolarHBondContact O-N 3.21Å; L503-K506 PolarHBondContact O-N 3.41Å; M504-K506 VanDerWaalsContact C-N 3.31Å; M504-K506 PolarHBondContact O-N 3.42Å; K506-Q509 PolarHBondContact O-N 2.97Å; K506-E510 WeakPolarHBondContact O-CB 3.48Å; K506-E510 PolarHBondContact O-N 3.36Å
507S92.6Very high88.6Confident46 Ų4680.3 Ų80.332%0.32239%0.39SS..Hα-helixtrans-63.9-39.6176.7-59.90000112.6L503 M504 L505 E510 V511L503-S507 PolarHBondContact O-N 2.81Å; L503-S507 VanDerWaalsContact O-N 3.13Å; L503-S507 PolarHBondContact O-OG 3.49Å; M504-S507 WeakPolarHBondContact O-CB 3.45Å; M504-S507 PolarHBondContact O-N 3.16Å; L505-S507 VanDerWaalsContact C-N 3.33Å; L505-S507 PolarHBondContact O-N 3.32Å; S507-E510 PolarHBondContact O-N 3.44Å; S507-V511 WeakPolarHBondContact O-CG2 3.43Å; S507-V511 PolarHBondContact O-N 2.84Å; S507-V511 VanDerWaalsContact O-N 3.14Å
508I91.4Very high88.6Confident7 Ų780.7 Ų80.74%0.03640%0.401CS..Hα-helixtrans-63.2-47.4174.2-65167.7000110.3L405 W417 V419 M471 L489 M504 L505 E510 V511 Q512L405-I508 HydrophobicContact CD2-CG1 3.96Å; W417-I508 HydrophobicContact CB-CG2 4.03Å; V419-I508 HydrophobicContact CG2-CD1 3.85Å; V419-I508 HydrophobicContact CG2-CG1 4.05Å; M471-I508 HydrophobicContact CE-CD1 3.53Å; L489-I508 HydrophobicContact CD1-CG1 3.97Å; M504-I508 WeakPolarHBondContact O-CG1 3.13Å; M504-I508 PolarHBondContact O-N 2.95Å; L505-I508 PolarHBondContact O-N 3.33Å; I508-E510 VanDerWaalsContact C-N 3.28Å; I508-E510 PolarHBondContact O-N 3.46Å; I508-V511 WeakPolarHBondContact O-CB 3.29Å; I508-V511 PolarHBondContact O-N 3.48Å; I508-V511 VanDerWaalsContact O-N 3.17Å; I508-Q512 WeakPolarHBondContact O-CG 3.42Å; I508-Q512 PolarHBondContact O-N 2.89Å
509Q89.9Confident89.1Confident85 Ų8576.7 Ų76.740%0.39738%0.384SS..Hα-helixtrans-61.4-37178.5-71.9173.5-10.600112.1L505 K506 Q512 K513L505-Q509 WeakPolarHBondContact O-CG 3.45Å; L505-Q509 PolarHBondContact O-N 3.02Å; K506-Q509 PolarHBondContact O-N 2.97Å; Q509-Q512 PolarHBondContact O-N 3.07Å; Q509-K513 WeakPolarHBondContact O-CG 3.35Å; Q509-K513 PolarHBondContact O-N 3.37Å
510E92Very high89.5Confident115 Ų11573.5 Ų73.554%0.53737%0.37SS..Hα-helixtrans-65.5-39.6175.9-170.261.3-164.100112K506 S507 I508 K513 R514K506-E510 WeakPolarHBondContact O-CB 3.48Å; K506-E510 PolarHBondContact O-N 3.36Å; S507-E510 PolarHBondContact O-N 3.44Å; I508-E510 VanDerWaalsContact C-N 3.28Å; I508-E510 PolarHBondContact O-N 3.46Å; E510-K513 PolarHBondContact O-N 3.05Å; E510-R514 WeakPolarHBondContact O-CB 3.48Å; E510-R514 PolarHBondContact O-N 2.89Å
511V92.3Very high89.8Confident15 Ų1575.7 Ų75.79%0.09138%0.381CS..Hα-helixtrans-62-45.6171.91740000110.7L405 V487 L489 S507 I508 K513 R514 F515 V519L405-V511 HydrophobicContact CD1-CB 4.31Å; L405-V511 HydrophobicContact CD1-CG1 3.87Å; L405-V511 HydrophobicContact CD1-CG2 4.37Å; V487-V511 HydrophobicContact CG1-CG1 4.23Å; V487-V511 HydrophobicContact CG1-CG2 4.1Å; V487-V511 HydrophobicContact CG2-CG1 4.36Å; L489-V511 HydrophobicContact CD2-CG2 3.7Å; S507-V511 WeakPolarHBondContact O-CG2 3.43Å; S507-V511 PolarHBondContact O-N 2.84Å; S507-V511 VanDerWaalsContact O-N 3.14Å; I508-V511 WeakPolarHBondContact O-CB 3.29Å; I508-V511 PolarHBondContact O-N 3.48Å; I508-V511 VanDerWaalsContact O-N 3.17Å; V511-K513 VanDerWaalsContact C-N 3.3Å; V511-K513 PolarHBondContact O-N 3.45Å; V511-R514 PolarHBondContact O-N 3.39Å; V511-R514 VanDerWaalsContact O-N 3.14Å; V511-F515 HydrophobicContact CG1-CD2 3.88Å; V511-F515 HydrophobicContact CG1-CE2 4.28Å; V511-F515 WeakPolarHBondContact O-CD2 3.39Å; V511-F515 PolarHBondContact O-N 3.2Å; V511-V519 HydrophobicContact CG1-CG1 4.05Å; V511-V519 HydrophobicContact CG1-CG2 4.17Å
512Q90.1Very high90.1Very high86 Ų8674.8 Ų74.840%0.40238%0.378SS..Hα-helixtrans-61.6-37.6177.9-69.1175.8-45.400112.3I508 Q509 F515 V519I508-Q512 WeakPolarHBondContact O-CG 3.42Å; I508-Q512 PolarHBondContact O-N 2.89Å; Q509-Q512 PolarHBondContact O-N 3.07Å; Q512-F515 CarbonylContact O-C 3.59Å; Q512-F515 VanDerWaalsContact O-C 3.28Å; Q512-F515 PolarHBondContact O-N 3.23Å; Q512-V519 HydrophobicContact CG-CG2 4.34Å
513K91Very high90.3Very high151 Ų15175.4 Ų75.466%0.65738%0.384SS*.Hα-helixtrans-66.1-37.5173.9-74.1175.9-175.9177.70112.7Q509 E510 V511 F515Q509-K513 WeakPolarHBondContact O-CG 3.35Å; Q509-K513 PolarHBondContact O-N 3.37Å; E510-K513 PolarHBondContact O-N 3.05Å; V511-K513 VanDerWaalsContact C-N 3.3Å; V511-K513 PolarHBondContact O-N 3.45Å; K513-F515 VanDerWaalsContact C-N 3.31Å
514R92.9Very high90.3Very high202 Ų20271.8 Ų71.876%0.76237%0.365SS*.Hα-helixtrans-72.9-25.5179.4-169.4171.9-177.7174.70.8112.8E510 V511 P516E510-R514 WeakPolarHBondContact O-CB 3.48Å; E510-R514 PolarHBondContact O-N 2.89Å; V511-R514 PolarHBondContact O-N 3.39Å; V511-R514 VanDerWaalsContact O-N 3.14Å; R514-P516 VanDerWaalsContact C-CD 3.48Å; R514-P516 WeakPolarHBondContact O-CD 3.41Å
515F91.5Very high90.2Very high78 Ų7874.7 Ų74.734%0.34238%0.38SS..  trans-12372.6178.7-62.1-78.3000110.9V487 V511 Q512 K513 D517 G518 P520V487-F515 HydrophobicContact CG2-CE2 4.46Å; V511-F515 HydrophobicContact CG1-CD2 3.88Å; V511-F515 HydrophobicContact CG1-CE2 4.28Å; V511-F515 WeakPolarHBondContact O-CD2 3.39Å; V511-F515 PolarHBondContact O-N 3.2Å; Q512-F515 CarbonylContact O-C 3.59Å; Q512-F515 VanDerWaalsContact O-C 3.28Å; Q512-F515 PolarHBondContact O-N 3.23Å; K513-F515 VanDerWaalsContact C-N 3.31Å; F515-D517 PolarHBondContact O-N 3.2Å; F515-G518 WeakPolarHBondContact CB-O 3.46Å; F515-G518 PolarHBondContact O-N 3.3Å; F515-G518 VanDerWaalsContact O-N 3.09Å; F515-P520 HydrophobicContact CE1-CG 4.23Å; F515-P520 HydrophobicContact CZ-CG 4.26Å
516P85.4Confident90.2Very high106 Ų10680.3 Ų80.369%0.68841%0.41SS*.THydrogen-bonded Turntrans-63.5-29.4-176.724.6-33000113.2R514 G518R514-P516 VanDerWaalsContact C-CD 3.48Å; R514-P516 WeakPolarHBondContact O-CD 3.41Å; P516-G518 VanDerWaalsContact C-N 3.25Å; P516-G518 PolarHBondContact O-N 2.87Å
517D83.2Confident90.3Very high170 Ų17077.8 Ų77.891%0.90940%0.404SS*.THydrogen-bonded Turntrans-79.8-5.9178.1-56.1-44.2000113.3F515F515-D517 PolarHBondContact O-N 3.2Å
518G86.4Confident90.1Very high44 Ų4476.3 Ų76.345%0.45439%0.391SS..  trans128143.2179.900000113.3F515 P516F515-G518 WeakPolarHBondContact CB-O 3.46Å; F515-G518 PolarHBondContact O-N 3.3Å; F515-G518 VanDerWaalsContact O-N 3.09Å; P516-G518 VanDerWaalsContact C-N 3.25Å; P516-G518 PolarHBondContact O-N 2.87Å
519V91.1Very high90Very high13 Ų1377.9 Ų77.98%0.07941%0.409CS..PPolyproline II helixtrans-65.7131.8177.8-175.90000109.4L405 W417 S485 V487 V511 Q512 L521L405-V519 HydrophobicContact CD1-CG1 4.18Å; W417-V519 HydrophobicContact CH2-CB 4.22Å; W417-V519 HydrophobicContact CH2-CG1 4.4Å; W417-V519 HydrophobicContact CZ2-CB 3.77Å; W417-V519 HydrophobicContact CZ2-CG1 4.4Å; W417-V519 HydrophobicContact CZ2-CG2 4.26Å; S485-V519 VanDerWaalsContact OG-CG1 3.28Å; S485-V519 WeakPolarHBondContact OG-CG1 3.38Å; V487-V519 HydrophobicContact CG2-CG1 4.11Å; V511-V519 HydrophobicContact CG1-CG1 4.05Å; V511-V519 HydrophobicContact CG1-CG2 4.17Å; Q512-V519 HydrophobicContact CG-CG2 4.34Å; V519-L521 PolarHBondContact O-N 3.17Å
520P92.6Very high90Very high43 Ų4374 Ų7428%0.27939%0.391SS..PPolyproline II helixtrans-64.9130-174.925.4-34.2000111.4S485 S486 V487 F515S485-P520 VanDerWaalsContact CA-O 3.29Å; S485-P520 WeakPolarHBondContact CA-O 3.25Å; S485-P520 VanDerWaalsContact CB-O 3.3Å; S485-P520 WeakPolarHBondContact CB-O 3.45Å; S485-P520 PolarHBondContact OG-O 3.14Å; S486-P520 PolarHBondContact N-O 3.37Å; S486-P520 VanDerWaalsContact N-O 3.1Å; S486-P520 PolarHBondContact OG-O 3.43Å; V487-P520 HydrophobicContact CG2-CG 3.81Å; F515-P520 HydrophobicContact CE1-CG 4.23Å; F515-P520 HydrophobicContact CZ-CG 4.26Å
521L92.6Very high89.9Confident95 Ų9577.7 Ų77.750%0.49741%0.406SS..BIsolated β-bridgetrans-89.5156.9-179.9-57.3-175.4000110.9W417 V519W417-L521 HydrophobicContact CH2-CD2 3.58Å; W417-L521 HydrophobicContact CZ2-CD2 4.14Å; V519-L521 PolarHBondContact O-N 3.17Å
522L91.6Very high89.7Confident17 Ų1779.1 Ų79.19%0.08941%0.413CS..PPolyproline II helixtrans-75.3130165.7-68.5173.9000109.5F399 I484 D527 M528F399-L522 HydrophobicContact CB-CD1 3.83Å; F399-L522 HydrophobicContact CD1-CD1 3.51Å; F399-L522 HydrophobicContact CD1-CD2 4.49Å; F399-L522 HydrophobicContact CE1-CD1 4.26Å; F399-L522 HydrophobicContact CG-CD1 3.7Å; I484-L522 HydrophobicContact CB-CD1 4.21Å; I484-L522 HydrophobicContact CG2-CD1 3.57Å; I484-L522 HydrophobicContact CG2-CG 4.44Å; I484-L522 PolarHBondContact O-N 3.16Å; L522-D527 WeakPolarHBondContact CA-OD2 3.28Å; L522-D527 HydrophobicContact CB-CB 4.19Å; L522-D527 HydrophobicContact CD2-CB 3.9Å; L522-M528 HydrophobicContact CB-CG 4.08Å; L522-M528 HydrophobicContact CB-SD 4.41Å; L522-M528 HydrophobicContact CD1-CG 4.5Å
523D90.1Very high89.6Confident62 Ų6279.6 Ų79.633%0.33242%0.424SS..PPolyproline II helixtrans-71.6129.8174-172.8-90000110.9I525 D526 D527 M528D523-I525 VanDerWaalsContact C-N 3.26Å; D523-I525 PolarHBondContact O-N 3.29Å; D523-I525 WeakPolarHBondContact OD1-CA 3.45Å; D523-I525 PolarHBondContact OD1-N 2.9Å; D523-D526 HydrophobicContact CB-CB 4.12Å; D523-D526 PolarHBondContact OD1-N 2.98Å; D523-D527 PolarHBondContact N-OD2 2.82Å; D523-D527 WeakPolarHBondContact O-CB 3.34Å; D523-D527 PolarHBondContact O-N 2.78Å; D523-D527 VanDerWaalsContact O-N 3.17Å; D523-M528 PolarHBondContact O-N 2.77Å
524P89.5Confident89.6Confident14 Ų1473.6 Ų73.69%0.09141%0.405CS..THydrogen-bonded Turntrans-58.7-30.9179.6-29.238.7000114.8I386 I390 M528 I530 L535I386-P524 HydrophobicContact CG2-CG 4.24Å; I390-P524 HydrophobicContact CD1-CG 3.87Å; I390-P524 HydrophobicContact CG1-CB 4.42Å; I390-P524 HydrophobicContact CG1-CG 4.09Å; P524-M528 WeakPolarHBondContact O-CB 3.4Å; P524-I530 HydrophobicContact CB-CD1 4.16Å; P524-I530 WeakPolarHBondContact O-CB 3.35Å; P524-I530 WeakPolarHBondContact O-CG1 3.25Å; P524-I530 PolarHBondContact O-N 2.95Å; P524-L535 HydrophobicContact CB-CD2 3.75Å
525I89.3Confident89.5Confident64 Ų6464 Ų6433%0.32837%0.368SS..THydrogen-bonded Turntrans-96.6-54.8-177.4-62.9179.4000110.3D523 G529 L535 I539D523-I525 VanDerWaalsContact C-N 3.26Å; D523-I525 PolarHBondContact O-N 3.29Å; D523-I525 WeakPolarHBondContact OD1-CA 3.45Å; D523-I525 PolarHBondContact OD1-N 2.9Å; I525-G529 WeakPolarHBondContact O-CA 3.43Å; I525-G529 PolarHBondContact O-N 2.97Å; I525-G529 VanDerWaalsContact O-N 3.11Å; I525-L535 HydrophobicContact CG1-CD2 4.34Å; I525-I539 HydrophobicContact CD1-CD1 3.67Å; I525-I539 HydrophobicContact CG1-CD1 4.07Å
526D89.3Confident89.4Confident137 Ų13766.2 Ų66.273%0.73338%0.378SS*.THydrogen-bonded Turntrans-76.7-43.6-169.5-69-23.5000112D523D523-D526 HydrophobicContact CB-CB 4.12Å; D523-D526 PolarHBondContact OD1-N 2.98Å
527D91.4Very high89.7Confident84 Ų8467.7 Ų67.745%0.44937%0.373SS..THydrogen-bonded Turntrans-89.5-48.9179.8-64.1-40.6000112F399 L522 D523F399-D527 VanDerWaalsContact CZ-O 3.26Å; F399-D527 WeakPolarHBondContact CZ-O 3.33Å; L522-D527 WeakPolarHBondContact CA-OD2 3.28Å; L522-D527 HydrophobicContact CB-CB 4.19Å; L522-D527 HydrophobicContact CD2-CB 3.9Å; D523-D527 PolarHBondContact N-OD2 2.82Å; D523-D527 WeakPolarHBondContact O-CB 3.34Å; D523-D527 PolarHBondContact O-N 2.78Å; D523-D527 VanDerWaalsContact O-N 3.17Å
528M89.1Confident90.1Very high14 Ų1460.1 Ų60.17%0.06933%0.333CS..THydrogen-bonded Turntrans-83.8-12.6-174.8-60.3-173.270.300113.9I390 Y395 C396 F399 I484 L522 D523 P524 I530I390-M528 HydrophobicContact CG1-SD 4.46Å; I390-M528 HydrophobicContact CG2-CE 4.03Å; I390-M528 HydrophobicContact CG2-SD 4.04Å; Y395-M528 VanDerWaalsContact O-CE 3.24Å; Y395-M528 WeakPolarHBondContact O-CE 3.34Å; C396-M528 HydrophobicContact CB-CE 4.19Å; F399-M528 HydrophobicContact CD2-CE 4.02Å; F399-M528 HydrophobicContact CD2-CG 4.2Å; F399-M528 HydrophobicContact CE2-CB 3.98Å; F399-M528 HydrophobicContact CE2-CE 4.35Å; F399-M528 HydrophobicContact CE2-CG 3.9Å; F399-M528 HydrophobicContact CZ-CB 4.32Å; F399-M528 HydrophobicContact CZ-CG 4.23Å; I484-M528 HydrophobicContact CD1-CE 4.4Å; L522-M528 HydrophobicContact CB-CG 4.08Å; L522-M528 HydrophobicContact CB-SD 4.41Å; L522-M528 HydrophobicContact CD1-CG 4.5Å; D523-M528 PolarHBondContact O-N 2.77Å; P524-M528 WeakPolarHBondContact O-CB 3.4Å; M528-I530 VanDerWaalsContact C-N 3.34Å; M528-I530 HydrophobicContact CB-CD1 4.36Å; M528-I530 HydrophobicContact CB-CG1 4.13Å; M528-I530 PolarHBondContact O-N 3.2Å
529G88.8Confident90.3Very high40 Ų4059.5 Ų59.541%0.41232%0.319SS..  trans68.427.117500000114.4I525 K531I525-G529 WeakPolarHBondContact O-CA 3.43Å; I525-G529 PolarHBondContact O-N 2.97Å; I525-G529 VanDerWaalsContact O-N 3.11Å; G529-K531 PolarHBondContact O-N 3.39Å; G529-K531 VanDerWaalsContact O-N 3.14Å
530I90.1Very high90.3Very high4 Ų463.8 Ų63.82%0.02134%0.338CS..  trans-75.3104-179-54.8176.5000109.8Y395 P524 M528 D532 L535Y395-I530 HydrophobicContact CD1-CB 4.47Å; Y395-I530 HydrophobicContact CD1-CD1 4.49Å; Y395-I530 HydrophobicContact CD1-CG1 3.7Å; Y395-I530 HydrophobicContact CD2-CD1 3.94Å; Y395-I530 HydrophobicContact CD2-CG1 3.95Å; Y395-I530 HydrophobicContact CD2-CG2 4.26Å; Y395-I530 HydrophobicContact CE1-CB 4.44Å; Y395-I530 HydrophobicContact CE1-CG1 4.16Å; Y395-I530 HydrophobicContact CE1-CG2 4.21Å; Y395-I530 HydrophobicContact CE2-CG1 4.42Å; Y395-I530 HydrophobicContact CE2-CG2 3.94Å; Y395-I530 HydrophobicContact CG-CD1 3.88Å; Y395-I530 HydrophobicContact CG-CG1 3.6Å; P524-I530 HydrophobicContact CB-CD1 4.16Å; P524-I530 WeakPolarHBondContact O-CB 3.35Å; P524-I530 WeakPolarHBondContact O-CG1 3.25Å; P524-I530 PolarHBondContact O-N 2.95Å; M528-I530 VanDerWaalsContact C-N 3.34Å; M528-I530 HydrophobicContact CB-CD1 4.36Å; M528-I530 HydrophobicContact CB-CG1 4.13Å; M528-I530 PolarHBondContact O-N 3.2Å; I530-D532 VanDerWaalsContact C-N 3.31Å; I530-D532 HydrophobicContact CG2-CB 3.97Å; I530-D532 PolarHBondContact O-N 3.29Å; I530-L535 HydrophobicContact CB-CD2 3.67Å; I530-L535 HydrophobicContact CD1-CD2 4.11Å; I530-L535 HydrophobicContact CG1-CD2 4.47Å; I530-L535 HydrophobicContact CG2-CD2 3.49Å; I530-L535 VanDerWaalsContact CG2-CD2 3.49Å
531K89Confident90.3Very high193 Ų19367.2 Ų67.284%0.83935%0.349SS*.  trans-89.917.5179.9-61.2-178.1-178.6-178.80114.4G529G529-K531 PolarHBondContact O-N 3.39Å; G529-K531 VanDerWaalsContact O-N 3.14Å
532D89.1Confident90.3Very high45 Ų4563.7 Ų63.724%0.24133%0.331CS..  trans-72121.6-178.4-167.3-46.7000110.3F389 K392 I530 G534 L535 K536F389-D532 HydrophobicContact CD1-CB 4.4Å; F389-D532 HydrophobicContact CE1-CB 4.37Å; K392-D532 IonicContact NZ-OD2 3.01Å; I530-D532 VanDerWaalsContact C-N 3.31Å; I530-D532 HydrophobicContact CG2-CB 3.97Å; I530-D532 PolarHBondContact O-N 3.29Å; D532-G534 PolarHBondContact O-N 3.41Å; D532-G534 WeakPolarHBondContact OD1-CA 3.45Å; D532-G534 PolarHBondContact OD1-N 3.33Å; D532-L535 HydrophobicContact CB-CB 4.38Å; D532-L535 PolarHBondContact O-N 2.83Å; D532-K536 PolarHBondContact O-N 2.83Å
533P88.8Confident90.3Very high96 Ų9668.4 Ų68.462%0.62335%0.353SS*.Hα-helixtrans-64.3-22.8-18027.2-34.7000112.8K537P533-K537 WeakPolarHBondContact O-CG 3.37Å; P533-K537 PolarHBondContact O-N 2.82Å
534G90.3Very high90.4Very high25 Ų2567.9 Ų67.926%0.25836%0.357SS..Hα-helixtrans-63.9-47.4172.900000111.9D532 K536 K537 V538D532-G534 PolarHBondContact O-N 3.41Å; D532-G534 WeakPolarHBondContact OD1-CA 3.45Å; D532-G534 PolarHBondContact OD1-N 3.33Å; G534-K536 VanDerWaalsContact C-N 3.35Å; G534-K536 PolarHBondContact O-N 2.99Å; G534-K537 WeakPolarHBondContact O-CB 3.34Å; G534-K537 PolarHBondContact O-N 2.86Å; G534-V538 WeakPolarHBondContact O-CG2 3.28Å; G534-V538 PolarHBondContact O-N 3.12Å; G534-V538 VanDerWaalsContact O-N 3.09Å
535L89.9Confident90.5Very high0 Ų069.3 Ų69.30%036%0.362CS..Hα-helixtrans-60.5-44.1177.9176.163000111.5I386 F389 P524 I525 I530 D532 K537 V538 I539I386-L535 HydrophobicContact CB-CD1 4.47Å; I386-L535 HydrophobicContact CG1-CD1 4.14Å; I386-L535 HydrophobicContact CG2-CD1 4.24Å; F389-L535 HydrophobicContact CB-CD1 4.16Å; F389-L535 HydrophobicContact CB-CD2 4.49Å; F389-L535 HydrophobicContact CD1-CB 4.18Å; F389-L535 HydrophobicContact CD2-CB 4.28Å; F389-L535 HydrophobicContact CD2-CD1 3.98Å; F389-L535 HydrophobicContact CE1-CB 4.44Å; F389-L535 HydrophobicContact CG-CB 4.11Å; F389-L535 HydrophobicContact CG-CD1 4.17Å; P524-L535 HydrophobicContact CB-CD2 3.75Å; I525-L535 HydrophobicContact CG1-CD2 4.34Å; I530-L535 HydrophobicContact CB-CD2 3.67Å; I530-L535 HydrophobicContact CD1-CD2 4.11Å; I530-L535 HydrophobicContact CG1-CD2 4.47Å; I530-L535 HydrophobicContact CG2-CD2 3.49Å; I530-L535 VanDerWaalsContact CG2-CD2 3.49Å; D532-L535 HydrophobicContact CB-CB 4.38Å; D532-L535 PolarHBondContact O-N 2.83Å; L535-K537 VanDerWaalsContact C-N 3.28Å; L535-K537 PolarHBondContact O-N 2.79Å; L535-V538 PolarHBondContact O-N 2.78Å; L535-I539 HydrophobicContact CD1-CD1 4.03Å; L535-I539 HydrophobicContact CD1-CG1 4.19Å; L535-I539 HydrophobicContact CG-CD1 3.94Å; L535-I539 HydrophobicContact CG-CG1 4.46Å; L535-I539 PolarHBondContact O-N 2.81Å
536K89.5Confident90.6Very high125 Ų12569.9 Ų69.954%0.54336%0.363SS..Hα-helixtrans-58.8-39.6177.8-169.8173.3-176.4173.60112.2D532 G534 Q540D532-K536 PolarHBondContact O-N 2.83Å; G534-K536 VanDerWaalsContact C-N 3.35Å; G534-K536 PolarHBondContact O-N 2.99Å; K536-Q540 WeakPolarHBondContact O-CB 3.38Å; K536-Q540 VanDerWaalsContact O-CG 3.26Å; K536-Q540 WeakPolarHBondContact O-CG 3.28Å; K536-Q540 PolarHBondContact O-N 3.49Å
537K92Very high90.8Very high136 Ų13669.3 Ų69.359%0.59136%0.356SS*.Hα-helixtrans-66.1-36.8174.6-72.1176.3-178.3178.90112.4P533 G534 L535 K541P533-K537 WeakPolarHBondContact O-CG 3.37Å; P533-K537 PolarHBondContact O-N 2.82Å; G534-K537 WeakPolarHBondContact O-CB 3.34Å; G534-K537 PolarHBondContact O-N 2.86Å; L535-K537 VanDerWaalsContact C-N 3.28Å; L535-K537 PolarHBondContact O-N 2.79Å; K537-K541 VanDerWaalsContact O-CG 3.31Å; K537-K541 WeakPolarHBondContact O-CG 3.47Å; K537-K541 PolarHBondContact O-N 3.37Å; K537-K541 VanDerWaalsContact O-N 3.14Å
538V91.8Very high90.8Very high11 Ų1171.2 Ų71.27%0.06736%0.357CS..Hα-helixtrans-67.8-45.5177.4177.30000110.1L382 E385 I386 F389 G534 L535 Q540 K541 V542L382-V538 HydrophobicContact CB-CG1 4.32Å; L382-V538 HydrophobicContact CD2-CG1 4.04Å; E385-V538 HydrophobicContact CB-CG1 4.18Å; I386-V538 HydrophobicContact CD1-CG1 4.21Å; I386-V538 HydrophobicContact CG1-CB 4.49Å; I386-V538 HydrophobicContact CG1-CG1 3.59Å; F389-V538 HydrophobicContact CE2-CG2 4.38Å; G534-V538 WeakPolarHBondContact O-CG2 3.28Å; G534-V538 PolarHBondContact O-N 3.12Å; G534-V538 VanDerWaalsContact O-N 3.09Å; L535-V538 PolarHBondContact O-N 2.78Å; V538-Q540 PolarHBondContact O-N 3.03Å; V538-K541 WeakPolarHBondContact O-CB 3.47Å; V538-K541 PolarHBondContact O-N 3.32Å; V538-K541 VanDerWaalsContact O-N 3.12Å; V538-V542 WeakPolarHBondContact O-CG2 3.25Å; V538-V542 PolarHBondContact O-N 3Å
539I90.4Very high90.9Very high31 Ų3171.6 Ų71.616%0.15936%0.359CS..Hα-helixtrans-60.5-46.4176.7-68.5173.1000111.2I386 I525 L535 K541 V542 E543I386-I539 HydrophobicContact CD1-CG1 4.08Å; I525-I539 HydrophobicContact CD1-CD1 3.67Å; I525-I539 HydrophobicContact CG1-CD1 4.07Å; L535-I539 HydrophobicContact CD1-CD1 4.03Å; L535-I539 HydrophobicContact CD1-CG1 4.19Å; L535-I539 HydrophobicContact CG-CD1 3.94Å; L535-I539 HydrophobicContact CG-CG1 4.46Å; L535-I539 PolarHBondContact O-N 2.81Å; I539-K541 PolarHBondContact O-N 3.47Å; I539-V542 WeakPolarHBondContact O-CA 3.32Å; I539-V542 WeakPolarHBondContact O-CB 3.46Å; I539-V542 PolarHBondContact O-N 3.36Å; I539-E543 HydrophobicContact CG2-CG 4.46Å; I539-E543 WeakPolarHBondContact O-CG 3.41Å; I539-E543 PolarHBondContact O-N 3.01Å
540Q91.5Very high90.9Very high104 Ų10476 Ų7649%0.48636%0.364SS..Hα-helixtrans-58.4-36.3175.1-74.7174.5-1600112.9K536 V538 A544K536-Q540 WeakPolarHBondContact O-CB 3.38Å; K536-Q540 VanDerWaalsContact O-CG 3.26Å; K536-Q540 WeakPolarHBondContact O-CG 3.28Å; K536-Q540 PolarHBondContact O-N 3.49Å; V538-Q540 PolarHBondContact O-N 3.03Å; Q540-A544 WeakPolarHBondContact O-CB 3.26Å; Q540-A544 PolarHBondContact O-N 3.39Å
541K92.7Very high91Very high114 Ų11480 Ų8050%0.49639%0.389SS..Hα-helixtrans-68.6-41.6173.8-74.2173.3-179.2179.90111.3L382 K537 V538 I539 A544 F545L382-K541 HydrophobicContact CD1-CB 3.93Å; L382-K541 HydrophobicContact CD2-CB 4.28Å; L382-K541 HydrophobicContact CD2-CD 4.21Å; K537-K541 VanDerWaalsContact O-CG 3.31Å; K537-K541 WeakPolarHBondContact O-CG 3.47Å; K537-K541 PolarHBondContact O-N 3.37Å; K537-K541 VanDerWaalsContact O-N 3.14Å; V538-K541 WeakPolarHBondContact O-CB 3.47Å; V538-K541 PolarHBondContact O-N 3.32Å; V538-K541 VanDerWaalsContact O-N 3.12Å; I539-K541 PolarHBondContact O-N 3.47Å; K541-A544 PolarHBondContact O-N 2.92Å; K541-F545 WeakPolarHBondContact O-CB 3.22Å; K541-F545 VanDerWaalsContact O-CD2 3.23Å; K541-F545 WeakPolarHBondContact O-CD2 3.37Å; K541-F545 PolarHBondContact O-N 3.48Å
542V92.3Very high91Very high22 Ų2272.3 Ų72.313%0.13336%0.356CS..Hα-helixtrans-58.1-52.5175.7170.30000109.7L379 L382 I386 V538 I539 A544 F545 E546L379-V542 HydrophobicContact CD2-CG1 4.05Å; L382-V542 HydrophobicContact CB-CG2 3.55Å; L382-V542 HydrophobicContact CD1-CG2 4.05Å; L382-V542 HydrophobicContact CG-CG2 4.38Å; I386-V542 HydrophobicContact CD1-CG2 3.93Å; V538-V542 WeakPolarHBondContact O-CG2 3.25Å; V538-V542 PolarHBondContact O-N 3Å; I539-V542 WeakPolarHBondContact O-CA 3.32Å; I539-V542 WeakPolarHBondContact O-CB 3.46Å; I539-V542 PolarHBondContact O-N 3.36Å; V542-A544 VanDerWaalsContact C-N 3.3Å; V542-A544 PolarHBondContact O-N 3.41Å; V542-F545 CarbonylContact O-C 3.58Å; V542-F545 PolarHBondContact O-N 3.33Å; V542-F545 VanDerWaalsContact O-N 3.08Å; V542-E546 HydrophobicContact CG1-CG 4.2Å; V542-E546 WeakPolarHBondContact O-CB 3.18Å; V542-E546 WeakPolarHBondContact O-CG 3.34Å; V542-E546 PolarHBondContact O-N 2.95Å
543E91.4Very high90.8Very high116 Ų11675.6 Ų75.654%0.54238%0.377SS..Hα-helixtrans-55.6-43.8176.5-68.7171.3173.900112I539 E546 H547I539-E543 HydrophobicContact CG2-CG 4.46Å; I539-E543 WeakPolarHBondContact O-CG 3.41Å; I539-E543 PolarHBondContact O-N 3.01Å; E543-E546 PolarHBondContact O-N 3.03Å; E543-H547 WeakPolarHBondContact O-CB 3.44Å; E543-H547 PolarHBondContact O-N 3.08Å
544A92.6Very high90.6Very high51 Ų5171.6 Ų71.642%0.42135%0.351SS..Hα-helixtrans-65-40.2177.400000112.6Q540 K541 V542 R548Q540-A544 WeakPolarHBondContact O-CB 3.26Å; Q540-A544 PolarHBondContact O-N 3.39Å; K541-A544 PolarHBondContact O-N 2.92Å; V542-A544 VanDerWaalsContact C-N 3.3Å; V542-A544 PolarHBondContact O-N 3.41Å; A544-R548 WeakPolarHBondContact O-CB 3.3Å; A544-R548 WeakPolarHBondContact O-CG 3.27Å; A544-R548 PolarHBondContact O-N 3.15Å
545F92.3Very high90.5Very high43 Ų4373.3 Ų73.319%0.18935%0.352CS..Hα-helixtrans-74.3-33.4177-85.4-72.9000112.6I375 Q378 L379 L382 K541 V542 R548 M549I375-F545 HydrophobicContact CG1-CD1 4.29Å; I375-F545 HydrophobicContact CG2-CD1 4.14Å; I375-F545 WeakPolarHBondContact CG2-O 3.36Å; Q378-F545 HydrophobicContact CB-CD1 4.42Å; Q378-F545 HydrophobicContact CB-CE1 4.17Å; Q378-F545 HydrophobicContact CB-CE2 4.45Å; Q378-F545 HydrophobicContact CB-CZ 4.2Å; Q378-F545 HydrophobicContact CG-CE1 4.34Å; Q378-F545 HydrophobicContact CG-CZ 4.27Å; L379-F545 HydrophobicContact CD2-CB 3.57Å; L379-F545 HydrophobicContact CG-CB 3.89Å; L382-F545 HydrophobicContact CD1-CD2 3.74Å; L382-F545 HydrophobicContact CD1-CE2 4.21Å; K541-F545 WeakPolarHBondContact O-CB 3.22Å; K541-F545 VanDerWaalsContact O-CD2 3.23Å; K541-F545 WeakPolarHBondContact O-CD2 3.37Å; K541-F545 PolarHBondContact O-N 3.48Å; V542-F545 CarbonylContact O-C 3.58Å; V542-F545 PolarHBondContact O-N 3.33Å; V542-F545 VanDerWaalsContact O-N 3.08Å; F545-R548 CarbonylContact O-C 3.6Å; F545-R548 PolarHBondContact O-N 3.05Å; F545-M549 WeakPolarHBondContact O-CB 3.42Å; F545-M549 PolarHBondContact O-N 3.08Å
546E91.6Very high90.2Very high77 Ų7778.2 Ų78.236%0.3639%0.387SS..Hα-helixtrans-64.5-48.4171.6-78.1-174.1167.700110.6L379 V542 E543 R548 M549 Y550L379-E546 HydrophobicContact CD1-CG 4.25Å; L379-E546 HydrophobicContact CD2-CG 3.84Å; V542-E546 HydrophobicContact CG1-CG 4.2Å; V542-E546 WeakPolarHBondContact O-CB 3.18Å; V542-E546 WeakPolarHBondContact O-CG 3.34Å; V542-E546 PolarHBondContact O-N 2.95Å; E543-E546 PolarHBondContact O-N 3.03Å; E546-R548 VanDerWaalsContact C-N 3.28Å; E546-R548 PolarHBondContact O-N 3.11Å; E546-M549 CarbonylContact O-C 3.6Å; E546-M549 WeakPolarHBondContact O-CA 3.39Å; E546-M549 VanDerWaalsContact O-CB 3.31Å; E546-M549 WeakPolarHBondContact O-CB 3.32Å; E546-M549 PolarHBondContact O-N 3.09Å; E546-Y550 HydrophobicContact CB-CD2 4.3Å; E546-Y550 HydrophobicContact CB-CE2 3.96Å; E546-Y550 WeakPolarHBondContact O-CD2 3.26Å; E546-Y550 PolarHBondContact O-N 2.86Å
547H92.1Very high90Very high124 Ų12475.1 Ų75.157%0.57438%0.376SS*.Hα-helixtrans-56.1-45.5173.7-180-83.7000111.2E543 M549 Y550 T551E543-H547 WeakPolarHBondContact O-CB 3.44Å; E543-H547 PolarHBondContact O-N 3.08Å; H547-M549 VanDerWaalsContact C-N 3.28Å; H547-M549 PolarHBondContact O-N 3.24Å; H547-Y550 PolarHBondContact O-N 3.23Å; H547-T551 WeakPolarHBondContact O-CB 3.39Å; H547-T551 VanDerWaalsContact O-CG2 3.31Å; H547-T551 WeakPolarHBondContact O-CG2 3.27Å; H547-T551 PolarHBondContact O-N 3.46Å; H547-T551 PolarHBondContact O-OG1 2.94Å
548R90.9Very high89.6Confident124 Ų12474.5 Ų74.547%0.46839%0.386SS..Hα-helixtrans-63.5-31.3174.4-74.4175.266.7-174.33.1113.4I375 A544 F545 E546 T551 H552I375-R548 HydrophobicContact CD1-CB 4.33Å; A544-R548 WeakPolarHBondContact O-CB 3.3Å; A544-R548 WeakPolarHBondContact O-CG 3.27Å; A544-R548 PolarHBondContact O-N 3.15Å; F545-R548 CarbonylContact O-C 3.6Å; F545-R548 PolarHBondContact O-N 3.05Å; E546-R548 VanDerWaalsContact C-N 3.28Å; E546-R548 PolarHBondContact O-N 3.11Å; R548-T551 WeakPolarHBondContact CA-OG1 3.36Å; R548-T551 PolarHBondContact O-OG1 2.84Å; R548-H552 WeakPolarHBondContact O-CB 3.21Å; R548-H552 PolarHBondContact O-N 2.87Å
549M91.8Very high89.2Confident22 Ų2278.7 Ų78.711%0.10841%0.408CS..Hα-helixtrans-70.3-52.1176.1-174.9-179.969.300110.3Y372 I375 R376 L379 F545 E546 H547 T551 H552 H555Y372-M549 HydrophobicContact CD2-CG 4.49Å; Y372-M549 HydrophobicContact CE2-CG 3.6Å; I375-M549 HydrophobicContact CG2-CB 3.84Å; I375-M549 HydrophobicContact CG2-CG 4.44Å; R376-M549 HydrophobicContact CG-SD 3.96Å; L379-M549 HydrophobicContact CD1-CB 4.4Å; L379-M549 HydrophobicContact CD1-CE 4.27Å; L379-M549 HydrophobicContact CD1-SD 3.73Å; F545-M549 WeakPolarHBondContact O-CB 3.42Å; F545-M549 PolarHBondContact O-N 3.08Å; E546-M549 CarbonylContact O-C 3.6Å; E546-M549 WeakPolarHBondContact O-CA 3.39Å; E546-M549 VanDerWaalsContact O-CB 3.31Å; E546-M549 WeakPolarHBondContact O-CB 3.32Å; E546-M549 PolarHBondContact O-N 3.09Å; H547-M549 VanDerWaalsContact C-N 3.28Å; H547-M549 PolarHBondContact O-N 3.24Å; M549-T551 VanDerWaalsContact C-N 3.33Å; M549-T551 PolarHBondContact O-N 2.83Å; M549-H552 VanDerWaalsContact O-CB 3.26Å; M549-H552 WeakPolarHBondContact O-CB 3.4Å; M549-H552 PolarHBondContact O-N 3.26Å; M549-H552 VanDerWaalsContact O-N 3.13Å; M549-H555 VanDerWaalsContact O-CB 3.26Å; M549-H555 WeakPolarHBondContact O-CB 3.49Å
550Y89.9Confident89Confident133 Ų13378.3 Ų78.352%0.52241%0.406SS..Hα-helixtrans-65.3-33.7-179.4-65.2-59.3000113.1E546 H547 H552 H555E546-Y550 HydrophobicContact CB-CD2 4.3Å; E546-Y550 HydrophobicContact CB-CE2 3.96Å; E546-Y550 WeakPolarHBondContact O-CD2 3.26Å; E546-Y550 PolarHBondContact O-N 2.86Å; H547-Y550 PolarHBondContact O-N 3.23Å; Y550-H552 VanDerWaalsContact C-N 3.28Å; Y550-H555 AromaticContact CD1-CD2 3.67Å; Y550-H555 AromaticContact CD1-CE1 3.8Å; Y550-H555 AromaticContact CD1-NE2 3.21Å; Y550-H555 WeakPolarHBondContact CD1-NE2 3.45Å; Y550-H555 AromaticContact CE1-CE1 3.83Å; Y550-H555 AromaticContact CE1-NE2 3.46Å; Y550-H555 WeakPolarHBondContact CE1-NE2 3.48Å
551T90.3Very high88.7Confident89 Ų8979.4 Ų79.455%0.54641%0.411SS..THydrogen-bonded Turntrans-79.2-10.3176.151.30000113.6H547 R548 M549H547-T551 WeakPolarHBondContact O-CB 3.39Å; H547-T551 VanDerWaalsContact O-CG2 3.31Å; H547-T551 WeakPolarHBondContact O-CG2 3.27Å; H547-T551 PolarHBondContact O-N 3.46Å; H547-T551 PolarHBondContact O-OG1 2.94Å; R548-T551 WeakPolarHBondContact CA-OG1 3.36Å; R548-T551 PolarHBondContact O-OG1 2.84Å; M549-T551 VanDerWaalsContact C-N 3.33Å; M549-T551 PolarHBondContact O-N 2.83Å
552H89.9Confident88.4Confident30 Ų3076.9 Ų76.914%0.13941%0.408CS..SBendtrans-73.3134.4179.5-164.1-81.2000110.6S368 Y372 R548 M549 Y550 L554 H555S368-H552 PolarHBondContact O-CE1 3.17Å; S368-H552 PolarHBondContact O-NE2 3.05Å; S368-H552 PolarHBondContact OG-CE1 3.13Å; Y372-H552 HydrophobicContact CD2-CB 3.88Å; Y372-H552 AromaticContact CD2-CG 3.78Å; Y372-H552 AromaticContact CD2-ND1 3.73Å; Y372-H552 HydrophobicContact CE2-CB 4.38Å; R548-H552 WeakPolarHBondContact O-CB 3.21Å; R548-H552 PolarHBondContact O-N 2.87Å; M549-H552 VanDerWaalsContact O-CB 3.26Å; M549-H552 WeakPolarHBondContact O-CB 3.4Å; M549-H552 PolarHBondContact O-N 3.26Å; M549-H552 VanDerWaalsContact O-N 3.13Å; Y550-H552 VanDerWaalsContact C-N 3.28Å; H552-L554 WeakPolarHBondContact ND1-CB 3.44Å; H552-L554 PolarHBondContact ND1-N 3.25Å; H552-L554 PolarHBondContact O-N 2.96Å; H552-L554 VanDerWaalsContact O-N 3.16Å; H552-H555 WeakPolarHBondContact O-CB 3.46Å; H552-H555 PolarHBondContact O-N 3.08Å
553T85.1Confident88.1Confident114 Ų11476.7 Ų76.770%0.69941%0.406SS*.G310 helixtrans-55.4-37.6-176.251.80000113.4H555T553-H555 VanDerWaalsContact C-N 3.3Å; T553-H555 PolarHBondContact O-N 3.13Å
554L84.8Confident87.9Confident13 Ų1372.4 Ų72.47%0.06839%0.386CS..G310 helixtrans-67-20.7176.7-71.3172000115.1V369 Y372 H552 S556 D557 L560V369-L554 HydrophobicContact CB-CD1 4.01Å; V369-L554 HydrophobicContact CG2-CD1 3.6Å; V369-L554 HydrophobicContact CG2-CD2 4.45Å; Y372-L554 HydrophobicContact CD2-CB 4.46Å; Y372-L554 HydrophobicContact CG-CB 4.4Å; H552-L554 WeakPolarHBondContact ND1-CB 3.44Å; H552-L554 PolarHBondContact ND1-N 3.25Å; H552-L554 PolarHBondContact O-N 2.96Å; H552-L554 VanDerWaalsContact O-N 3.16Å; L554-S556 PolarHBondContact O-N 2.97Å; L554-D557 HydrophobicContact CD2-CB 4.38Å; L554-D557 WeakPolarHBondContact O-CB 3.31Å; L554-D557 PolarHBondContact O-N 3.44Å; L554-L560 HydrophobicContact CB-CD1 4.15Å; L554-L560 WeakPolarHBondContact O-CB 3.34Å; L554-L560 WeakPolarHBondContact O-CD1 3.38Å
555H87.6Confident87.7Confident60 Ų6072.5 Ų72.528%0.27838%0.383SS..G310 helixtrans-65-32.1-176.6-17071.8000112.5Y372 M549 Y550 H552 T553Y372-H555 HydrophobicContact CE2-CB 3.92Å; Y372-H555 AromaticContact CE2-ND1 3.9Å; Y372-H555 AromaticContact CZ-ND1 3.82Å; Y372-H555 PolarHBondContact OH-ND1 3.35Å; M549-H555 VanDerWaalsContact O-CB 3.26Å; M549-H555 WeakPolarHBondContact O-CB 3.49Å; Y550-H555 AromaticContact CD1-CD2 3.67Å; Y550-H555 AromaticContact CD1-CE1 3.8Å; Y550-H555 AromaticContact CD1-NE2 3.21Å; Y550-H555 WeakPolarHBondContact CD1-NE2 3.45Å; Y550-H555 AromaticContact CE1-CE1 3.83Å; Y550-H555 AromaticContact CE1-NE2 3.46Å; Y550-H555 WeakPolarHBondContact CE1-NE2 3.48Å; H552-H555 WeakPolarHBondContact O-CB 3.46Å; H552-H555 PolarHBondContact O-N 3.08Å; T553-H555 VanDerWaalsContact C-N 3.3Å; T553-H555 PolarHBondContact O-N 3.13Å
556S83.9Confident87.5Confident104 Ų10473.4 Ų73.473%0.72739%0.39SS*.G310 helixtrans-98.45.6178.7-52.60000113L554L554-S556 PolarHBondContact O-N 2.97Å
557D84.4Confident87.4Confident59 Ų5970 Ų7032%0.31637%0.374SS..  trans-79.1125.5-179.3-170.1-31.2000110.2L554 N559 L560L554-D557 HydrophobicContact CD2-CB 4.38Å; L554-D557 WeakPolarHBondContact O-CB 3.31Å; L554-D557 PolarHBondContact O-N 3.44Å; D557-N559 PolarHBondContact O-N 3.21Å; D557-N559 VanDerWaalsContact O-N 3.16Å; D557-N559 WeakPolarHBondContact OD1-CB 3.37Å; D557-N559 PolarHBondContact OD1-N 3.16Å; D557-L560 WeakPolarHBondContact O-CB 3.4Å; D557-L560 PolarHBondContact O-N 3.41Å
558P83.6Confident87.2Confident124 Ų12469.1 Ų69.181%0.80537%0.37SS*.THydrogen-bonded Turntrans-61-22.4177.225.1-34.9000113.7
559N84.8Confident87.2Confident99 Ų9971 Ų7153%0.52938%0.377SS..THydrogen-bonded Turntrans-90.73.5177.6-67.1-25.5000113.4D557 E561 S562 V563D557-N559 PolarHBondContact O-N 3.21Å; D557-N559 VanDerWaalsContact O-N 3.16Å; D557-N559 WeakPolarHBondContact OD1-CB 3.37Å; D557-N559 PolarHBondContact OD1-N 3.16Å; N559-E561 VanDerWaalsContact C-N 3.31Å; N559-E561 PolarHBondContact O-N 3.38Å; N559-S562 PolarHBondContact O-N 3.46Å; N559-S562 VanDerWaalsContact O-N 3.13Å; N559-S562 PolarHBondContact O-OG 2.88Å; N559-V563 HydrophobicContact CB-CG2 4.42Å; N559-V563 PolarHBondContact O-N 3.01Å; N559-V563 VanDerWaalsContact O-N 3.12Å
560L85.4Confident87.1Confident23 Ų2370.8 Ų70.812%0.1238%0.376CS..Hα-helixtrans-47.6-51-175.6170.762.2000112.6Y372 L554 D557 S562 V563 Y564Y372-L560 HydrophobicContact CD1-CD1 3.82Å; Y372-L560 HydrophobicContact CE1-CD1 3.44Å; Y372-L560 VanDerWaalsContact CE1-CD1 3.44Å; Y372-L560 HydrophobicContact CE1-CD2 4.18Å; Y372-L560 HydrophobicContact CE1-CG 4.37Å; L554-L560 HydrophobicContact CB-CD1 4.15Å; L554-L560 WeakPolarHBondContact O-CB 3.34Å; L554-L560 WeakPolarHBondContact O-CD1 3.38Å; D557-L560 WeakPolarHBondContact O-CB 3.4Å; D557-L560 PolarHBondContact O-N 3.41Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 3.41Å; L560-V563 PolarHBondContact O-N 3.2Å; L560-Y564 WeakPolarHBondContact O-CB 3.43Å; L560-Y564 PolarHBondContact O-N 2.92Å
561E85.4Confident87.1Confident126 Ų12666 Ų6659%0.58936%0.364SS*.Hα-helixtrans-65-39.5-173.7-164.360.5-153.200111.8N559 S565N559-E561 VanDerWaalsContact C-N 3.31Å; N559-E561 PolarHBondContact O-N 3.38Å; E561-S565 VanDerWaalsContact O-CB 3.32Å; E561-S565 WeakPolarHBondContact O-CB 3.4Å; E561-S565 PolarHBondContact O-N 3.47Å; E561-S565 PolarHBondContact O-OG 3.3Å
562S86.2Confident87.2Confident61 Ų6166.8 Ų66.843%0.42736%0.361SS..Hα-helixtrans-63.9-46.9177.372.20000111.6N559 L560 S565 L566N559-S562 PolarHBondContact O-N 3.46Å; N559-S562 VanDerWaalsContact O-N 3.13Å; N559-S562 PolarHBondContact O-OG 2.88Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 3.41Å; S562-S565 PolarHBondContact O-N 3.17Å; S562-S565 PolarHBondContact O-OG 2.84Å; S562-L566 WeakPolarHBondContact O-CG 3.35Å; S562-L566 PolarHBondContact O-N 2.7Å
563V87Confident87.3Confident18 Ų1865.9 Ų65.911%0.10936%0.357CS..Hα-helixtrans-73.5-35.3-177.6178.60000111.1I363 V369 N559 L560 L566 C567I363-V563 HydrophobicContact CG2-CG1 3.91Å; V369-V563 HydrophobicContact CB-CG1 4.09Å; V369-V563 HydrophobicContact CG1-CG1 3.66Å; V369-V563 HydrophobicContact CG2-CG1 3.25Å; N559-V563 HydrophobicContact CB-CG2 4.42Å; N559-V563 PolarHBondContact O-N 3.01Å; N559-V563 VanDerWaalsContact O-N 3.12Å; L560-V563 PolarHBondContact O-N 3.2Å; V563-L566 PolarHBondContact O-N 3.04Å; V563-C567 PolarHBondContact O-N 3.48Å
564Y87.6Confident87.6Confident26 Ų2661.4 Ų61.410%0.10233%0.332CS..Hα-helixtrans-64-45.2173.3-172.6-95.4000111.4Y372 F373 R376 L560 L566 C567 E568Y372-Y564 HydrophobicContact CD1-CD2 4.03Å; Y372-Y564 HydrophobicContact CD1-CE2 4.31Å; Y372-Y564 HydrophobicContact CE1-CD2 4.18Å; Y372-Y564 HydrophobicContact CE1-CE2 4.41Å; F373-Y564 HydrophobicContact CB-CE2 4.21Å; F373-Y564 HydrophobicContact CD2-CD2 4.2Å; F373-Y564 HydrophobicContact CD2-CE1 4.45Å; F373-Y564 AromaticContact CD2-CE2 3.54Å; F373-Y564 HydrophobicContact CD2-CE2 3.54Å; F373-Y564 AromaticContact CD2-CZ 3.68Å; F373-Y564 HydrophobicContact CE2-CE2 4.41Å; F373-Y564 HydrophobicContact CG-CE2 4.32Å; R376-Y564 HydrophobicContact CB-CE2 4.33Å; R376-Y564 HydrophobicContact CG-CE2 4.41Å; L560-Y564 WeakPolarHBondContact O-CB 3.43Å; L560-Y564 PolarHBondContact O-N 2.92Å; Y564-L566 VanDerWaalsContact C-N 3.31Å; Y564-L566 PolarHBondContact O-N 3.16Å; Y564-C567 WeakPolarHBondContact O-CB 3.28Å; Y564-C567 PolarHBondContact O-N 2.98Å; Y564-C567 VanDerWaalsContact O-N 3.16Å; Y564-E568 WeakPolarHBondContact O-CB 3.44Å; Y564-E568 PolarHBondContact O-N 3.22Å
565S87.7Confident87.9Confident53 Ų5362.3 Ų62.337%0.37134%0.342SS..Hα-helixtrans-62.5-36.5177.475.50000112.6E561 S562 E568 R569E561-S565 VanDerWaalsContact O-CB 3.32Å; E561-S565 WeakPolarHBondContact O-CB 3.4Å; E561-S565 PolarHBondContact O-N 3.47Å; E561-S565 PolarHBondContact O-OG 3.3Å; S562-S565 PolarHBondContact O-N 3.17Å; S562-S565 PolarHBondContact O-OG 2.84Å; S565-E568 PolarHBondContact O-N 3.05Å; S565-R569 WeakPolarHBondContact O-CB 3.34Å; S565-R569 PolarHBondContact O-N 2.95Å
566L88.1Confident88.1Confident63 Ų6363.1 Ų63.133%0.3335%0.345SS..Hα-helixtrans-65.7-43.2173.2-70.4173.4000111.6I361 I363 S562 V563 Y564 R569 K570I361-L566 HydrophobicContact CG2-CB 4.45Å; I361-L566 HydrophobicContact CG2-CD2 4.41Å; I363-L566 HydrophobicContact CG1-CB 4.26Å; S562-L566 WeakPolarHBondContact O-CG 3.35Å; S562-L566 PolarHBondContact O-N 2.7Å; V563-L566 PolarHBondContact O-N 3.04Å; Y564-L566 VanDerWaalsContact C-N 3.31Å; Y564-L566 PolarHBondContact O-N 3.16Å; L566-R569 PolarHBondContact O-N 3.3Å; L566-K570 VanDerWaalsContact O-CB 3.31Å; L566-K570 WeakPolarHBondContact O-CB 3.33Å; L566-K570 PolarHBondContact O-N 3.4Å
567C88.9Confident88.6Confident5 Ų558.8 Ų58.83%0.03431%0.314CS..Hα-helixtrans-64.6-40.7175.5-173.60000112.2I363 V369 V563 Y564 K570 A571I363-C567 HydrophobicContact CD1-CB 3.99Å; V369-C567 HydrophobicContact CG1-CB 3.58Å; V563-C567 PolarHBondContact O-N 3.48Å; Y564-C567 WeakPolarHBondContact O-CB 3.28Å; Y564-C567 PolarHBondContact O-N 2.98Å; Y564-C567 VanDerWaalsContact O-N 3.16Å; C567-K570 PolarHBondContact O-N 3.37Å; C567-A571 VanDerWaalsContact O-CB 3.27Å; C567-A571 WeakPolarHBondContact O-CB 3.37Å; C567-A571 PolarHBondContact O-N 3.47Å
568E89.3Confident89Confident105 Ų10562.7 Ų62.749%0.49133%0.325SS..Hα-helixtrans-62.1-48.4175.4-175.7174.9-122.900110.8F373 Y564 S565 K570 A571 Q572F373-E568 HydrophobicContact CE2-CB 3.97Å; F373-E568 HydrophobicContact CE2-CG 4.26Å; Y564-E568 WeakPolarHBondContact O-CB 3.44Å; Y564-E568 PolarHBondContact O-N 3.22Å; S565-E568 PolarHBondContact O-N 3.05Å; E568-K570 PolarHBondContact O-N 3.3Å; E568-A571 PolarHBondContact O-N 3.46Å; E568-Q572 WeakPolarHBondContact O-CB 3.49Å; E568-Q572 PolarHBondContact O-N 2.84Å
569R89.3Confident89.4Confident163 Ų16359.9 Ų59.962%0.61531%0.306SS*.Hα-helixtrans-60.7-43.3176-173.1172-179.2168.6-0.2112.2I361 S565 L566 Q572 I573I361-R569 HydrophobicContact CD1-CG 4.16Å; S565-R569 WeakPolarHBondContact O-CB 3.34Å; S565-R569 PolarHBondContact O-N 2.95Å; L566-R569 PolarHBondContact O-N 3.3Å; R569-Q572 WeakPolarHBondContact O-CB 3.41Å; R569-Q572 PolarHBondContact O-N 2.9Å; R569-I573 HydrophobicContact CG-CD1 4.16Å; R569-I573 WeakPolarHBondContact O-CG1 3.44Å; R569-I573 PolarHBondContact O-N 3.38Å
570K91.3Very high89.6Confident19 Ų1955.3 Ų55.38%0.08328%0.281CS..Hα-helixtrans-64.4-40.6176.8-168.1171.6-171.8175.90111.6Y358 I361 I363 E366 L566 C567 E568 A574Y358-K570 HydrophobicContact CD2-CG 3.68Å; Y358-K570 HydrophobicContact CE2-CD 4.18Å; Y358-K570 HydrophobicContact CE2-CG 3.39Å; I361-K570 HydrophobicContact CB-CD 4.39Å; I361-K570 HydrophobicContact CD1-CB 4.41Å; I361-K570 HydrophobicContact CG2-CB 4.19Å; I361-K570 HydrophobicContact CG2-CD 4.2Å; I361-K570 PolarHBondContact O-NZ 3.08Å; I361-K570 VanDerWaalsContact O-NZ 3.1Å; I363-K570 HydrophobicContact CD1-CB 4.12Å; I363-K570 HydrophobicContact CD1-CD 3.57Å; I363-K570 HydrophobicContact CD1-CG 4.47Å; I363-K570 HydrophobicContact CG1-CD 4.2Å; E366-K570 VanDerWaalsContact OE1-CE 3.3Å; E366-K570 WeakPolarHBondContact OE1-CE 3.45Å; E366-K570 IonicContact OE1-NZ 3.42Å; E366-K570 PolarHBondContact OE1-NZ 2.69Å; E366-K570 IonicContact OE2-NZ 3.76Å; E366-K570 PolarHBondContact OE2-NZ 3.36Å; L566-K570 VanDerWaalsContact O-CB 3.31Å; L566-K570 WeakPolarHBondContact O-CB 3.33Å; L566-K570 PolarHBondContact O-N 3.4Å; C567-K570 PolarHBondContact O-N 3.37Å; E568-K570 PolarHBondContact O-N 3.3Å; K570-A574 WeakPolarHBondContact O-CB 3.47Å; K570-A574 PolarHBondContact O-N 2.82Å
571A89.8Confident89.8Confident32 Ų3258.8 Ų58.826%0.26430%0.296SS..Hα-helixtrans-66.6-3817500000112.6F373 C567 E568 A574 A575F373-A571 HydrophobicContact CE1-CB 3.89Å; F373-A571 HydrophobicContact CZ-CB 3.9Å; C567-A571 VanDerWaalsContact O-CB 3.27Å; C567-A571 WeakPolarHBondContact O-CB 3.37Å; C567-A571 PolarHBondContact O-N 3.47Å; E568-A571 PolarHBondContact O-N 3.46Å; A571-A574 PolarHBondContact O-N 3.37Å; A571-A575 PolarHBondContact O-N 3.11Å
572Q91Very high89.9Confident106 Ų10660.3 Ų60.350%0.49530%0.296SS..Hα-helixtrans-63.1-49.7175.2-179.161.522.700110.9E568 R569 A574 A575 E576E568-Q572 WeakPolarHBondContact O-CB 3.49Å; E568-Q572 PolarHBondContact O-N 2.84Å; R569-Q572 WeakPolarHBondContact O-CB 3.41Å; R569-Q572 PolarHBondContact O-N 2.9Å; Q572-A574 VanDerWaalsContact C-N 3.32Å; Q572-A574 PolarHBondContact O-N 2.84Å; Q572-A575 WeakPolarHBondContact O-CA 3.02Å; Q572-A575 WeakPolarHBondContact O-CB 3.44Å; Q572-A575 PolarHBondContact O-N 3.5Å; Q572-A575 VanDerWaalsContact O-N 3.08Å; Q572-E576 PolarHBondContact NE2-OE1 2.93Å; Q572-E576 VanDerWaalsContact NE2-OE1 3.07Å; Q572-E576 WeakPolarHBondContact O-CG 3.35Å; Q572-E576 PolarHBondContact O-N 3.19Å
573I92.3Very high89.8Confident10 Ų1061.9 Ų61.95%0.05130%0.297CS..Hα-helixtrans-60.4-42.7175.6-65.4163.6000110.5L354 Q357 Y358 I361 R569 A575 E576 V577L354-I573 HydrophobicContact CB-CG2 4.28Å; L354-I573 HydrophobicContact CD2-CG2 4.27Å; L354-I573 VanDerWaalsContact O-CG2 3.3Å; L354-I573 WeakPolarHBondContact O-CG2 3.33Å; Q357-I573 HydrophobicContact CB-CD1 4.3Å; Y358-I573 HydrophobicContact CD2-CG2 4.47Å; I361-I573 HydrophobicContact CD1-CD1 3.5Å; I361-I573 VanDerWaalsContact CD1-CD1 3.5Å; R569-I573 HydrophobicContact CG-CD1 4.16Å; R569-I573 WeakPolarHBondContact O-CG1 3.44Å; R569-I573 PolarHBondContact O-N 3.38Å; I573-A575 VanDerWaalsContact C-N 3.29Å; I573-A575 PolarHBondContact O-N 2.89Å; I573-E576 CarbonylContact O-C 3.59Å; I573-E576 PolarHBondContact O-N 3.41Å; I573-E576 VanDerWaalsContact O-N 3.14Å; I573-V577 HydrophobicContact CG2-CG2 4.29Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.18Å
574A91.5Very high89.7Confident21 Ų2162.4 Ų62.417%0.17430%0.298CS..Hα-helixtrans-62-35.7175.600000112.9Y358 K570 A571 Q572 R578Y358-A574 HydrophobicContact CD2-CB 4.11Å; Y358-A574 HydrophobicContact CE2-CB 3.75Å; K570-A574 WeakPolarHBondContact O-CB 3.47Å; K570-A574 PolarHBondContact O-N 2.82Å; A571-A574 PolarHBondContact O-N 3.37Å; Q572-A574 VanDerWaalsContact C-N 3.32Å; Q572-A574 PolarHBondContact O-N 2.84Å; A574-R578 WeakPolarHBondContact O-CB 3.26Å; A574-R578 VanDerWaalsContact O-CG 3.29Å; A574-R578 WeakPolarHBondContact O-CG 3.27Å; A574-R578 PolarHBondContact O-N 3.4Å; A574-R578 PolarHBondContact O-NE 3.16Å
575A92Very high89.5Confident32 Ų3269 Ų6926%0.26433%0.327SS..Hα-helixtrans-64.9-46172.100000111A571 Q572 I573 R578 T579A571-A575 PolarHBondContact O-N 3.11Å; Q572-A575 WeakPolarHBondContact O-CA 3.02Å; Q572-A575 WeakPolarHBondContact O-CB 3.44Å; Q572-A575 PolarHBondContact O-N 3.5Å; Q572-A575 VanDerWaalsContact O-N 3.08Å; I573-A575 VanDerWaalsContact C-N 3.29Å; I573-A575 PolarHBondContact O-N 2.89Å; A575-R578 PolarHBondContact O-N 3.08Å; A575-T579 PolarHBondContact O-N 3.14Å; A575-T579 PolarHBondContact O-OG1 3.34Å
576E91.7Very high89Confident76 Ų7673.1 Ų73.136%0.35534%0.339SS..Hα-helixtrans-61.5-42.8176.5-70.6175.9-157.900112.7L354 Q572 I573 R578 T579 A580L354-E576 HydrophobicContact CD1-CB 4.13Å; Q572-E576 PolarHBondContact NE2-OE1 2.93Å; Q572-E576 VanDerWaalsContact NE2-OE1 3.07Å; Q572-E576 WeakPolarHBondContact O-CG 3.35Å; Q572-E576 PolarHBondContact O-N 3.19Å; I573-E576 CarbonylContact O-C 3.59Å; I573-E576 PolarHBondContact O-N 3.41Å; I573-E576 VanDerWaalsContact O-N 3.14Å; E576-R578 PolarHBondContact O-N 3.47Å; E576-T579 PolarHBondContact O-N 3.08Å; E576-A580 WeakPolarHBondContact O-CB 3.48Å; E576-A580 PolarHBondContact O-N 3.39Å
577V92.6Very high88.2Confident13 Ų1370.7 Ų70.78%0.07933%0.328CS..Hα-helixtrans-60.2-46.1173.5171.30000110.5L354 E355 I573 T579 A580 K581L354-V577 HydrophobicContact CB-CG2 3.5Å; L354-V577 HydrophobicContact CD1-CG2 4.37Å; E355-V577 HydrophobicContact CG-CG1 4.17Å; E355-V577 HydrophobicContact CG-CG2 4.34Å; I573-V577 HydrophobicContact CG2-CG2 4.29Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.18Å; V577-T579 VanDerWaalsContact C-N 3.29Å; V577-T579 PolarHBondContact O-N 3.21Å; V577-A580 PolarHBondContact O-N 3.44Å; V577-K581 HydrophobicContact CG1-CD 4.01Å; V577-K581 HydrophobicContact CG1-CG 4.36Å; V577-K581 WeakPolarHBondContact O-CB 3.07Å; V577-K581 WeakPolarHBondContact O-CG 3.23Å; V577-K581 PolarHBondContact O-N 3.02Å
578R93.2Very high87.2Confident141 Ų14179 Ų7953%0.53236%0.359SS..Hα-helixtrans-63.3-36.8177.2-75.8-178.6-62.6-144.80.4111.9A574 A575 E576 R582A574-R578 WeakPolarHBondContact O-CB 3.26Å; A574-R578 VanDerWaalsContact O-CG 3.29Å; A574-R578 WeakPolarHBondContact O-CG 3.27Å; A574-R578 PolarHBondContact O-N 3.4Å; A574-R578 PolarHBondContact O-NE 3.16Å; A575-R578 PolarHBondContact O-N 3.08Å; E576-R578 PolarHBondContact O-N 3.47Å; R578-R582 WeakPolarHBondContact O-CB 3.28Å; R578-R582 WeakPolarHBondContact O-CG 3.31Å; R578-R582 PolarHBondContact O-N 2.85Å; R578-R582 VanDerWaalsContact O-N 3.09Å; R578-R582 PolarHBondContact O-NE 2.98Å
579T92.2Very high86.6Confident66 Ų6678 Ų7841%0.40536%0.36SS..Hα-helixtrans-67.8-49.8175.7-60.60000110.6A575 E576 V577 K581 R582 E583A575-T579 PolarHBondContact O-N 3.14Å; A575-T579 PolarHBondContact O-OG1 3.34Å; E576-T579 PolarHBondContact O-N 3.08Å; V577-T579 VanDerWaalsContact C-N 3.29Å; V577-T579 PolarHBondContact O-N 3.21Å; T579-K581 PolarHBondContact O-N 3Å; T579-R582 CarbonylContact O-C 3.59Å; T579-R582 WeakPolarHBondContact O-CA 3.46Å; T579-R582 WeakPolarHBondContact O-CB 3.49Å; T579-R582 PolarHBondContact O-N 2.91Å; T579-E583 WeakPolarHBondContact O-CG 3.4Å; T579-E583 PolarHBondContact O-N 3.13Å
580A88.9Confident85.9Confident2 Ų271.7 Ų71.72%0.01734%0.339CS..Hα-helixtrans-61.7-39.417800000112.5I351 E576 V577 R582 E583 L584I351-A580 HydrophobicContact CD1-CB 4.27Å; I351-A580 HydrophobicContact CG1-CB 3.64Å; E576-A580 WeakPolarHBondContact O-CB 3.48Å; E576-A580 PolarHBondContact O-N 3.39Å; V577-A580 PolarHBondContact O-N 3.44Å; A580-R582 VanDerWaalsContact C-N 3.35Å; A580-R582 PolarHBondContact O-N 3.25Å; A580-E583 WeakPolarHBondContact O-CB 3.29Å; A580-E583 PolarHBondContact O-N 2.9Å; A580-L584 WeakPolarHBondContact O-CB 3.46Å; A580-L584 PolarHBondContact O-N 3.12Å
581K89.7Confident85Confident97 Ų9772.4 Ų72.442%0.42234%0.344SS..Hα-helixtrans-64.6-37.1172.7-76.5-178.3178.8178.40112.4I351 E355 V577 T579 K585I351-K581 HydrophobicContact CD1-CG 4.03Å; I351-K581 HydrophobicContact CG1-CG 4.42Å; I351-K581 HydrophobicContact CG2-CG 4.28Å; E355-K581 WeakPolarHBondContact OE1-CE 3.49Å; E355-K581 IonicContact OE1-NZ 2.77Å; E355-K581 PolarHBondContact OE1-NZ 3.27Å; V577-K581 HydrophobicContact CG1-CD 4.01Å; V577-K581 HydrophobicContact CG1-CG 4.36Å; V577-K581 WeakPolarHBondContact O-CB 3.07Å; V577-K581 WeakPolarHBondContact O-CG 3.23Å; V577-K581 PolarHBondContact O-N 3.02Å; T579-K581 PolarHBondContact O-N 3Å; K581-K585 PolarHBondContact O-N 2.76Å
582R87.6Confident84.6Confident157 Ų15772.6 Ų72.659%0.59234%0.339SS*.Hα-helixtrans-65.9-43.2172.9-79.9-177.5-112.7178.2-3.7111.3R578 T579 A580 K585 K586R578-R582 WeakPolarHBondContact O-CB 3.28Å; R578-R582 WeakPolarHBondContact O-CG 3.31Å; R578-R582 PolarHBondContact O-N 2.85Å; R578-R582 VanDerWaalsContact O-N 3.09Å; R578-R582 PolarHBondContact O-NE 2.98Å; T579-R582 CarbonylContact O-C 3.59Å; T579-R582 WeakPolarHBondContact O-CA 3.46Å; T579-R582 WeakPolarHBondContact O-CB 3.49Å; T579-R582 PolarHBondContact O-N 2.91Å; A580-R582 VanDerWaalsContact C-N 3.35Å; A580-R582 PolarHBondContact O-N 3.25Å; R582-K585 PolarHBondContact O-N 3.42Å; R582-K586 WeakPolarHBondContact O-CG 3.21Å; R582-K586 PolarHBondContact O-N 2.95Å
583E83.9Confident84.5Confident95 Ų9569.1 Ų69.144%0.44432%0.323SS..Hα-helixtrans-59.1-46.3174.1-71.9172.2179.400111.2T579 A580 K585 K586 A587T579-E583 WeakPolarHBondContact O-CG 3.4Å; T579-E583 PolarHBondContact O-N 3.13Å; A580-E583 WeakPolarHBondContact O-CB 3.29Å; A580-E583 PolarHBondContact O-N 2.9Å; E583-K585 VanDerWaalsContact C-N 3.31Å; E583-K585 PolarHBondContact O-N 2.86Å; E583-K586 PolarHBondContact O-N 2.98Å; E583-K586 VanDerWaalsContact O-N 3.14Å; E583-A587 WeakPolarHBondContact O-CB 3.3Å; E583-A587 PolarHBondContact O-N 2.75Å
584L84.8Confident84.4Confident28 Ų2874.2 Ų74.215%0.14735%0.351CS..Hα-helixtrans-58-42.5175.8-175.770.8000112.1L344 V347 V348 I351 A580 A587 R588L344-L584 HydrophobicContact CD2-CD1 3.7Å; V347-L584 HydrophobicContact CG1-CB 4.16Å; V347-L584 HydrophobicContact CG1-CD1 4.35Å; V348-L584 HydrophobicContact CG2-CD1 3.66Å; V348-L584 HydrophobicContact CG2-CD2 4.21Å; I351-L584 HydrophobicContact CD1-CB 4.1Å; I351-L584 HydrophobicContact CD1-CD2 3.89Å; A580-L584 WeakPolarHBondContact O-CB 3.46Å; A580-L584 PolarHBondContact O-N 3.12Å; L584-A587 PolarHBondContact O-N 3.48Å; L584-R588 WeakPolarHBondContact O-CG 3.38Å; L584-R588 PolarHBondContact O-N 3.33Å
585K84Confident84.4Confident164 Ų16476.1 Ų76.171%0.71336%0.356SS*.Hα-helixtrans-65.1-41.3176.8-172.5177178.5-179.40111.6K581 R582 E583 R588K581-K585 PolarHBondContact O-N 2.76Å; R582-K585 PolarHBondContact O-N 3.42Å; E583-K585 VanDerWaalsContact C-N 3.31Å; E583-K585 PolarHBondContact O-N 2.86Å; K585-R588 PolarHBondContact O-N 3.16Å
586K76.6Confident84.5Confident141 Ų14174.6 Ų74.661%0.61334%0.343SS*.Hα-helixtrans-66.9-39.3176.3-72.4-177.3177.3-170.90112.3R582 E583 R588 T589 L591R582-K586 WeakPolarHBondContact O-CG 3.21Å; R582-K586 PolarHBondContact O-N 2.95Å; E583-K586 PolarHBondContact O-N 2.98Å; E583-K586 VanDerWaalsContact O-N 3.14Å; K586-R588 PolarHBondContact O-N 2.94Å; K586-T589 PolarHBondContact O-N 3.11Å; K586-T589 PolarHBondContact O-OG1 3.02Å; K586-L591 WeakPolarHBondContact O-CD2 3.47Å
587A71.1Confident84.6Confident12 Ų1276.8 Ų76.810%0.09935%0.352CS..Hα-helixtrans-72-16.5-178.700000113.4L344 E583 L584L344-A587 HydrophobicContact CD2-CB 3.39Å; L344-A587 HydrophobicContact CG-CB 4.31Å; E583-A587 WeakPolarHBondContact O-CB 3.3Å; E583-A587 PolarHBondContact O-N 2.75Å; L584-A587 PolarHBondContact O-N 3.48Å
588R69.4Low84.8Confident180 Ų18077.3 Ų77.368%0.67936%0.356SS*.THydrogen-bonded Turntrans-78.9-23.4171.2-74.5179.8179.1-169.6-0.5113.5L584 K585 K586L584-R588 WeakPolarHBondContact O-CG 3.38Å; L584-R588 PolarHBondContact O-N 3.33Å; K585-R588 PolarHBondContact O-N 3.16Å; K586-R588 PolarHBondContact O-N 2.94Å
589T75.9Confident84.9Confident83 Ų8372.6 Ų72.651%0.50934%0.338SS..SBendtrans-84.3146.3173.651.10000109.8K586 L591K586-T589 PolarHBondContact O-N 3.11Å; K586-T589 PolarHBondContact O-OG1 3.02Å; T589-L591 PolarHBondContact O-N 3.31Å
590V74.3Confident85.1Confident31 Ų3170 Ų7019%0.18832%0.321CS..  trans-60.4111.4168.9-179.30000107.1L331 E332 M593L331-V590 HydrophobicContact CB-CG1 4Å; E332-V590 HydrophobicContact CG-CG1 4.44Å; E332-V590 HydrophobicContact CG-CG2 4.12Å; V590-M593 HydrophobicContact CB-CB 4.22Å; V590-M593 HydrophobicContact CB-CE 4.11Å; V590-M593 HydrophobicContact CG1-CB 4.4Å; V590-M593 HydrophobicContact CG1-CE 3.89Å; V590-M593 VanDerWaalsContact O-CB 3.25Å; V590-M593 WeakPolarHBondContact O-CB 3.48Å; V590-M593 PolarHBondContact O-N 3.13Å
591L72Confident85.4Confident33 Ų3375.9 Ų75.917%0.17334%0.343CS..THydrogen-bonded Turntrans-66.2147.6-178.3-65163.8000107.7Y336 H340 K586 T589 M593Y336-L591 HydrophobicContact CD1-CB 4.38Å; Y336-L591 HydrophobicContact CE1-CB 3.8Å; Y336-L591 HydrophobicContact CE1-CD1 3.94Å; H340-L591 HydrophobicContact CB-CD1 3.74Å; H340-L591 WeakPolarHBondContact CD2-CD1 3.3Å; H340-L591 WeakPolarHBondContact ND1-CD1 3.41Å; H340-L591 WeakPolarHBondContact NE2-CD1 3.23Å; K586-L591 WeakPolarHBondContact O-CD2 3.47Å; T589-L591 PolarHBondContact O-N 3.31Å; L591-M593 PolarHBondContact O-N 2.87Å
592Q82.6Confident85.8Confident36 Ų3671.3 Ų71.317%0.16832%0.323CS..THydrogen-bonded Turntrans68.9-2.4-174.2-51.3171.4-26.700116.2F309 L311 L331 D594 E595 L596F309-Q592 VanDerWaalsContact CD1-OE1 3.25Å; F309-Q592 PolarHBondContact O-NE2 3.36Å; L311-Q592 HydrophobicContact CD1-CB 4.12Å; L331-Q592 HydrophobicContact CD2-CB 3.95Å; Q592-D594 VanDerWaalsContact C-N 3.3Å; Q592-D594 PolarHBondContact O-N 2.78Å; Q592-E595 WeakPolarHBondContact O-CB 3.12Å; Q592-E595 PolarHBondContact O-N 3.24Å; Q592-E595 VanDerWaalsContact O-N 3.16Å; Q592-L596 PolarHBondContact O-N 2.6Å
593M88Confident86.3Confident33 Ų3363.8 Ų63.816%0.16330%0.295CS..Hα-helixtrans-60.8-37.9175-174.460.866.500112.8E328 L331 V590 L591 L596 K597E328-M593 HydrophobicContact CB-CE 4.11Å; E328-M593 HydrophobicContact CG-CE 3.81Å; E328-M593 HydrophobicContact CG-SD 3.88Å; L331-M593 HydrophobicContact CD1-CE 4.2Å; V590-M593 HydrophobicContact CB-CB 4.22Å; V590-M593 HydrophobicContact CB-CE 4.11Å; V590-M593 HydrophobicContact CG1-CB 4.4Å; V590-M593 HydrophobicContact CG1-CE 3.89Å; V590-M593 VanDerWaalsContact O-CB 3.25Å; V590-M593 WeakPolarHBondContact O-CB 3.48Å; V590-M593 PolarHBondContact O-N 3.13Å; L591-M593 PolarHBondContact O-N 2.87Å; M593-L596 PolarHBondContact O-N 3.47Å; M593-L596 HydrophobicContact SD-CD2 4.13Å; M593-K597 WeakPolarHBondContact O-CG 3.39Å; M593-K597 PolarHBondContact O-N 3.36Å; M593-K597 VanDerWaalsContact O-N 3.11Å
594D89.8Confident86.9Confident118 Ų11864.1 Ų64.163%0.63129%0.292SS*.Hα-helixtrans-68.5-38.5176.1-71.1-25.2000111.6Q592 K597 C598Q592-D594 VanDerWaalsContact C-N 3.3Å; Q592-D594 PolarHBondContact O-N 2.78Å; D594-K597 PolarHBondContact O-N 3.3Å; D594-K597 IonicContact OD1-NZ 2.63Å; D594-C598 PolarHBondContact O-N 3.02Å; D594-C598 PolarHBondContact O-SG 3.42Å; D594-C598 VanDerWaalsContact O-SG 3.39Å
595E92.5Very high87.4Confident61 Ų6169.3 Ų69.329%0.28531%0.309SS..Hα-helixtrans-63.1-42.4173.7-171.3-172.3157.700111.1L311 Q592 K597 C598 R599 L696L311-E595 HydrophobicContact CD1-CB 4.13Å; L311-E595 HydrophobicContact CD1-CG 4.24Å; Q592-E595 WeakPolarHBondContact O-CB 3.12Å; Q592-E595 PolarHBondContact O-N 3.24Å; Q592-E595 VanDerWaalsContact O-N 3.16Å; E595-K597 VanDerWaalsContact C-N 3.34Å; E595-K597 PolarHBondContact O-N 3.37Å; E595-C598 WeakPolarHBondContact O-CB 3.5Å; E595-C598 PolarHBondContact O-N 3.35Å; E595-C598 VanDerWaalsContact O-N 3.17Å; E595-R599 WeakPolarHBondContact O-CG 3.44Å; E595-R599 PolarHBondContact O-N 3.24Å; E595-R599 IonicContact OE1-CZ 2.67Å; E595-R599 VanDerWaalsContact OE1-CZ 3.29Å; E595-R599 IonicContact OE1-NE 2.89Å; E595-R599 PolarHBondContact OE1-NE 2.98Å; E595-R599 IonicContact OE1-NH2 3.32Å; E595-R599 PolarHBondContact OE1-NH2 3.35Å; E595-L696 HydrophobicContact CG-CD2 4.04Å
596L94.2Very high88Confident0 Ų062.1 Ų62.10%028%0.278CS..Hα-helixtrans-57.4-45.3174.617662.4000111.6L311 V316 P327 E328 L331 Q592 M593 C598 R599 K600L311-L596 HydrophobicContact CD1-CB 3.69Å; V316-L596 HydrophobicContact CG1-CD1 3.99Å; V316-L596 HydrophobicContact CG2-CD1 3.77Å; P327-L596 HydrophobicContact CB-CD1 3.69Å; P327-L596 HydrophobicContact CB-CD2 3.81Å; P327-L596 HydrophobicContact CB-CG 4.4Å; P327-L596 HydrophobicContact CG-CD1 4.47Å; E328-L596 HydrophobicContact CG-CD2 3.94Å; L331-L596 HydrophobicContact CD1-CB 4.03Å; L331-L596 HydrophobicContact CD1-CD2 3.66Å; L331-L596 HydrophobicContact CD1-CG 4.43Å; Q592-L596 PolarHBondContact O-N 2.6Å; M593-L596 PolarHBondContact O-N 3.47Å; M593-L596 HydrophobicContact SD-CD2 4.13Å; L596-C598 VanDerWaalsContact C-N 3.33Å; L596-C598 PolarHBondContact O-N 3.37Å; L596-R599 PolarHBondContact O-N 3.13Å; L596-K600 HydrophobicContact CD1-CD 4.44Å; L596-K600 HydrophobicContact CD1-CG 4.2Å; L596-K600 HydrophobicContact CG-CD 4.36Å; L596-K600 HydrophobicContact CG-CG 4.49Å; L596-K600 WeakPolarHBondContact O-CB 3.27Å; L596-K600 WeakPolarHBondContact O-CG 3.46Å; L596-K600 PolarHBondContact O-N 2.99Å
597K94.1Very high88.9Confident121 Ų12156.9 Ų56.953%0.52627%0.265SS..Hα-helixtrans-61.4-42.2176.5-70.4170.5-172.9165.30111.8M593 D594 E595 R601M593-K597 WeakPolarHBondContact O-CG 3.39Å; M593-K597 PolarHBondContact O-N 3.36Å; M593-K597 VanDerWaalsContact O-N 3.11Å; D594-K597 PolarHBondContact O-N 3.3Å; D594-K597 IonicContact OD1-NZ 2.63Å; E595-K597 VanDerWaalsContact C-N 3.34Å; E595-K597 PolarHBondContact O-N 3.37Å; K597-R601 WeakPolarHBondContact O-CB 3.32Å; K597-R601 PolarHBondContact O-N 3.38Å
598C95.8Very high90.2Very high24 Ų2456.3 Ų56.316%0.16226%0.26CS..Hα-helixtrans-63.1-44.6175.7-71.90000111.6D594 E595 L596 R601 V602 A694 L696D594-C598 PolarHBondContact O-N 3.02Å; D594-C598 PolarHBondContact O-SG 3.42Å; D594-C598 VanDerWaalsContact O-SG 3.39Å; E595-C598 WeakPolarHBondContact O-CB 3.5Å; E595-C598 PolarHBondContact O-N 3.35Å; E595-C598 VanDerWaalsContact O-N 3.17Å; L596-C598 VanDerWaalsContact C-N 3.33Å; L596-C598 PolarHBondContact O-N 3.37Å; C598-R601 WeakPolarHBondContact O-CB 3.3Å; C598-R601 PolarHBondContact O-N 3.05Å; C598-V602 PolarHBondContact O-N 3.39Å; C598-V602 VanDerWaalsContact O-N 3.09Å; C598-A694 PolarHBondContact SG-O 3.47Å; C598-L696 HydrophobicContact CB-CD2 3.4Å; C598-L696 HydrophobicContact CB-CG 3.79Å
599R95.9Very high91.5Very high43 Ų4347.9 Ų47.916%0.16223%0.229CC..Hα-helixtrans-63.5-45.5175.4-71.9179.6180-90.32.3112.4L311 Y313 E595 L596 R601 V602 L603 L696L311-R599 PolarHBondContact O-NE 2.88Å; L311-R599 PolarHBondContact O-NH1 3.4Å; L311-R599 PolarHBondContact O-NH2 3.5Å; Y313-R599 HydrophobicContact CD1-CB 4.27Å; Y313-R599 HydrophobicContact CD1-CG 4.49Å; Y313-R599 HydrophobicContact CE1-CB 3.73Å; Y313-R599 HydrophobicContact CE1-CG 3.84Å; Y313-R599 VanDerWaalsContact CE2-NH1 3.35Å; E595-R599 WeakPolarHBondContact O-CG 3.44Å; E595-R599 PolarHBondContact O-N 3.24Å; E595-R599 IonicContact OE1-CZ 2.67Å; E595-R599 VanDerWaalsContact OE1-CZ 3.29Å; E595-R599 IonicContact OE1-NE 2.89Å; E595-R599 PolarHBondContact OE1-NE 2.98Å; E595-R599 IonicContact OE1-NH2 3.32Å; E595-R599 PolarHBondContact OE1-NH2 3.35Å; L596-R599 PolarHBondContact O-N 3.13Å; R599-R601 VanDerWaalsContact C-N 3.27Å; R599-R601 PolarHBondContact O-N 3.16Å; R599-V602 WeakPolarHBondContact O-CA 3.46Å; R599-V602 WeakPolarHBondContact O-CB 3.4Å; R599-V602 PolarHBondContact O-N 3.14Å; R599-L603 WeakPolarHBondContact O-CG 3.43Å; R599-L603 PolarHBondContact O-N 3.23Å; R599-L696 HydrophobicContact CG-CD1 4.11Å; R599-L696 HydrophobicContact CG-CD2 4.19Å
600K95.5Very high92.4Very high11 Ų1144.8 Ų44.85%0.04821%0.211CC..Hα-helixtrans-56.5-40.6172.8-76.8-175.3170.8-168.20111.4V316 E328 L596 V602 L603 R604 D613V316-K600 HydrophobicContact CG1-CG 4.47Å; E328-K600 IonicContact OE1-NZ 2.63Å; E328-K600 PolarHBondContact OE1-NZ 2.74Å; E328-K600 IonicContact OE2-NZ 2.88Å; E328-K600 PolarHBondContact OE2-NZ 3.36Å; L596-K600 HydrophobicContact CD1-CD 4.44Å; L596-K600 HydrophobicContact CD1-CG 4.2Å; L596-K600 HydrophobicContact CG-CD 4.36Å; L596-K600 HydrophobicContact CG-CG 4.49Å; L596-K600 WeakPolarHBondContact O-CB 3.27Å; L596-K600 WeakPolarHBondContact O-CG 3.46Å; L596-K600 PolarHBondContact O-N 2.99Å; K600-V602 PolarHBondContact O-N 3.04Å; K600-L603 PolarHBondContact O-N 3.47Å; K600-R604 WeakPolarHBondContact O-CB 3.5Å; K600-R604 VanDerWaalsContact O-CG 3.23Å; K600-R604 WeakPolarHBondContact O-CG 3.46Å; K600-R604 PolarHBondContact O-N 3.09Å; K600-D613 IonicContact NZ-OD2 2.78Å; K600-D613 PolarHBondContact NZ-OD2 2.99Å
601R96.9Very high93.3Very high126 Ų12648.6 Ų48.648%0.47524%0.236SC..Hα-helixtrans-61-41.1174.1173.4179.7-90.8-172.1-7.9112.1K597 C598 R599 R604 R605 A694K597-R601 WeakPolarHBondContact O-CB 3.32Å; K597-R601 PolarHBondContact O-N 3.38Å; C598-R601 WeakPolarHBondContact O-CB 3.3Å; C598-R601 PolarHBondContact O-N 3.05Å; R599-R601 VanDerWaalsContact C-N 3.27Å; R599-R601 PolarHBondContact O-N 3.16Å; R601-R604 PolarHBondContact O-N 3.22Å; R601-R605 WeakPolarHBondContact O-CG 3.15Å; R601-R605 PolarHBondContact O-N 3.32Å; R601-A694 HydrophobicContact CB-CB 4.31Å; R601-A694 HydrophobicContact CG-CB 3.93Å
602V97.1Very high94.3Very high0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-61.9-49.9174.4175.90000110.8Y313 C598 R599 K600 R604 R605 L606 L631 V690 A694 L696Y313-V602 HydrophobicContact CE1-CB 4.23Å; Y313-V602 HydrophobicContact CE1-CG1 4.29Å; C598-V602 PolarHBondContact O-N 3.39Å; C598-V602 VanDerWaalsContact O-N 3.09Å; R599-V602 WeakPolarHBondContact O-CA 3.46Å; R599-V602 WeakPolarHBondContact O-CB 3.4Å; R599-V602 PolarHBondContact O-N 3.14Å; K600-V602 PolarHBondContact O-N 3.04Å; V602-R604 VanDerWaalsContact C-N 3.27Å; V602-R604 PolarHBondContact O-N 3.24Å; V602-R605 PolarHBondContact O-N 3.42Å; V602-R605 VanDerWaalsContact O-N 3.1Å; V602-L606 HydrophobicContact CG1-CD1 3.74Å; V602-L606 HydrophobicContact CG1-CG 4.35Å; V602-L606 PolarHBondContact O-N 3.25Å; V602-L631 HydrophobicContact CG1-CD1 4.29Å; V602-V690 HydrophobicContact CG1-CG1 4.37Å; V602-A694 HydrophobicContact CG2-CB 3.47Å; V602-A694 VanDerWaalsContact CG2-CB 3.47Å; V602-L696 HydrophobicContact CG2-CD1 3.88Å
603L97.4Very high94.7Very high0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-55.8-42.6178.8-65.9178.2000111.9Y313 V316 L317 L320 R599 K600 G607 F608 A609 L631Y313-L603 HydrophobicContact CD1-CD1 4.39Å; Y313-L603 HydrophobicContact CD1-CD2 3.68Å; Y313-L603 HydrophobicContact CD1-CG 3.98Å; Y313-L603 HydrophobicContact CE1-CD2 4.25Å; Y313-L603 HydrophobicContact CE1-CG 4.31Å; Y313-L603 HydrophobicContact CG-CD2 4.47Å; V316-L603 HydrophobicContact CB-CD1 4.43Å; V316-L603 HydrophobicContact CG1-CD1 3.79Å; L317-L603 HydrophobicContact CD1-CD2 4.22Å; L317-L603 HydrophobicContact CD2-CD1 3.88Å; L317-L603 HydrophobicContact CD2-CD2 3.99Å; L317-L603 HydrophobicContact CD2-CG 4.47Å; L317-L603 HydrophobicContact CG-CD1 4.14Å; L317-L603 HydrophobicContact CG-CD2 4.13Å; L320-L603 HydrophobicContact CD1-CD1 4.48Å; R599-L603 WeakPolarHBondContact O-CG 3.43Å; R599-L603 PolarHBondContact O-N 3.23Å; K600-L603 PolarHBondContact O-N 3.47Å; L603-G607 PolarHBondContact O-N 3.41Å; L603-F608 HydrophobicContact CB-CB 4.25Å; L603-F608 HydrophobicContact CD2-CB 3.89Å; L603-F608 HydrophobicContact CD2-CD2 4.47Å; L603-F608 HydrophobicContact CD2-CG 4.19Å; L603-F608 PolarHBondContact O-N 3.46Å; L603-A609 HydrophobicContact CB-CB 4.41Å; L603-A609 PolarHBondContact O-N 3.15Å; L603-L631 HydrophobicContact CD2-CD2 3.74Å
604R96.8Very high94.9Very high102 Ų10254.4 Ų54.439%0.38528%0.28SS..Hα-helixtrans-66.8-41.6176.4-67.3170.1-168.91767.5113K600 R601 V602 G607 A609 S610 D613K600-R604 WeakPolarHBondContact O-CB 3.5Å; K600-R604 VanDerWaalsContact O-CG 3.23Å; K600-R604 WeakPolarHBondContact O-CG 3.46Å; K600-R604 PolarHBondContact O-N 3.09Å; R601-R604 PolarHBondContact O-N 3.22Å; V602-R604 VanDerWaalsContact C-N 3.27Å; V602-R604 PolarHBondContact O-N 3.24Å; R604-G607 PolarHBondContact O-N 2.92Å; R604-A609 WeakPolarHBondContact CA-O 3.34Å; R604-S610 WeakPolarHBondContact CG-O 3.31Å; R604-D613 IonicContact CZ-OD1 3.59Å; R604-D613 IonicContact NE-OD1 2.65Å; R604-D613 PolarHBondContact NE-OD1 3.03Å; R604-D613 IonicContact NH2-OD1 3.33Å; R604-D613 PolarHBondContact NH2-OD1 2.8Å; R604-D613 IonicContact NH2-OD2 3.2Å; R604-D613 PolarHBondContact NH2-OD2 2.96Å; R604-D613 VanDerWaalsContact NH2-OD2 3.12Å
605R96Very high95.1Very high137 Ų13749.5 Ų49.552%0.51725%0.254SS..Hα-helixtrans-69.6-33.4179.9-75.2-172.480.5-166.16.7113.1R601 V602 V690 D693R601-R605 WeakPolarHBondContact O-CG 3.15Å; R601-R605 PolarHBondContact O-N 3.32Å; V602-R605 PolarHBondContact O-N 3.42Å; V602-R605 VanDerWaalsContact O-N 3.1Å; R605-V690 HydrophobicContact CB-CG1 3.93Å; R605-D693 IonicContact CZ-OD2 2.86Å; R605-D693 IonicContact NH1-OD2 3.95Å; R605-D693 PolarHBondContact NH1-OD2 3.32Å; R605-D693 IonicContact NH2-OD2 3.78Å; R605-D693 PolarHBondContact NH2-OD2 3.47Å
606L96.2Very high95.3Very high12 Ų1250.7 Ų50.76%0.06326%0.259CS..Hα-helixtrans-87.6-8.7178-65.4177.1000113V602 F608 K618 I687 V690V602-L606 HydrophobicContact CG1-CD1 3.74Å; V602-L606 HydrophobicContact CG1-CG 4.35Å; V602-L606 PolarHBondContact O-N 3.25Å; L606-F608 HydrophobicContact CB-CD2 3.56Å; L606-F608 HydrophobicContact CB-CE2 3.59Å; L606-F608 HydrophobicContact CD1-CE2 4.04Å; L606-F608 HydrophobicContact CG-CE2 4.46Å; L606-K618 PolarHBondContact O-NZ 2.8Å; L606-I687 HydrophobicContact CD1-CG1 4.23Å; L606-I687 HydrophobicContact CD1-CG2 4.48Å; L606-V690 HydrophobicContact CD2-CB 4.42Å; L606-V690 HydrophobicContact CD2-CG1 4.21Å; L606-V690 HydrophobicContact CD2-CG2 4.19Å; L606-V690 HydrophobicContact CG-CG1 4.16Å
607G96.4Very high95.3Very high32 Ų3255.3 Ų55.333%0.3328%0.282SS..THydrogen-bonded Turntrans8223.8176.200000114.6L603 R604L603-G607 PolarHBondContact O-N 3.41Å; R604-G607 PolarHBondContact O-N 2.92Å
608F97.5Very high95.3Very high0 Ų051.6 Ų51.60%027%0.266CS..SBendtrans-78.5-27.5172.3-71.4-95.2000112.5L317 L603 L606 E616 K618 G619 A622 L631 T634 E635L317-F608 HydrophobicContact CD1-CD1 4.36Å; L317-F608 HydrophobicContact CD2-CB 4.09Å; L603-F608 HydrophobicContact CB-CB 4.25Å; L603-F608 HydrophobicContact CD2-CB 3.89Å; L603-F608 HydrophobicContact CD2-CD2 4.47Å; L603-F608 HydrophobicContact CD2-CG 4.19Å; L603-F608 PolarHBondContact O-N 3.46Å; L606-F608 HydrophobicContact CB-CD2 3.56Å; L606-F608 HydrophobicContact CB-CE2 3.59Å; L606-F608 HydrophobicContact CD1-CE2 4.04Å; L606-F608 HydrophobicContact CG-CE2 4.46Å; F608-E616 PolarHBondContact O-N 3.07Å; F608-K618 HydrophobicContact CD1-CB 4.01Å; F608-K618 HydrophobicContact CE1-CB 4.33Å; F608-K618 HydrophobicContact CG-CB 4.3Å; F608-G619 VanDerWaalsContact O-CA 3.27Å; F608-G619 WeakPolarHBondContact O-CA 3.3Å; F608-G619 PolarHBondContact O-N 3.4Å; F608-A622 HydrophobicContact CD1-CB 3.89Å; F608-A622 HydrophobicContact CE1-CB 3.77Å; F608-L631 HydrophobicContact CD1-CD2 4.1Å; F608-L631 HydrophobicContact CD2-CD2 4.09Å; F608-L631 HydrophobicContact CE1-CD2 3.86Å; F608-L631 HydrophobicContact CE2-CD2 3.85Å; F608-L631 HydrophobicContact CG-CD2 4.22Å; F608-L631 HydrophobicContact CZ-CB 4.32Å; F608-L631 HydrophobicContact CZ-CD2 3.74Å; F608-T634 HydrophobicContact CD1-CG2 4.47Å; F608-T634 HydrophobicContact CE1-CG2 3.54Å; F608-T634 HydrophobicContact CZ-CG2 4.07Å; F608-E635 HydrophobicContact CE2-CG 4.25Å; F608-E635 HydrophobicContact CZ-CG 4.16Å
609A96.4Very high95.3Very high3 Ų350.4 Ų50.43%0.02526%0.258CS..BIsolated β-bridgetrans-141.5152.5175.400000110.2L320 L603 R604 V614L320-A609 HydrophobicContact CD1-CB 4.33Å; L603-A609 HydrophobicContact CB-CB 4.41Å; L603-A609 PolarHBondContact O-N 3.15Å; R604-A609 WeakPolarHBondContact CA-O 3.34Å; A609-V614 CarbonylContact C-O 3.6Å; A609-V614 VanDerWaalsContact CA-O 3.32Å; A609-V614 WeakPolarHBondContact CA-O 3.46Å
610S95.3Very high95.2Very high18 Ų1854.5 Ų54.513%0.12627%0.273CS..  trans-73.2165.5176.483.90000111.6R604 S612 D613 V614 E616R604-S610 WeakPolarHBondContact CG-O 3.31Å; S610-S612 PolarHBondContact O-N 2.82Å; S610-S612 VanDerWaalsContact O-N 3.08Å; S610-S612 PolarHBondContact OG-N 2.86Å; S610-D613 PolarHBondContact O-N 3.49Å; S610-V614 PolarHBondContact N-O 3.33Å; S610-V614 WeakPolarHBondContact OG-CB 3.44Å; S610-V614 PolarHBondContact OG-N 3.32Å; S610-E616 WeakPolarHBondContact CB-OE1 3.16Å
611P94Very high95.2Very high110 Ų11054 Ų5471%0.71427%0.271SS*.THydrogen-bonded Turntrans-57.2-22.6173.5-25.835.9000114.4D613P611-D613 VanDerWaalsContact C-N 3.31Å
612S91.8Very high95.2Very high101 Ų10148 Ų4871%0.70625%0.248SC*.THydrogen-bonded Turntrans-91.715.6178.2-58.30000113.2S610 V614S610-S612 PolarHBondContact O-N 2.82Å; S610-S612 VanDerWaalsContact O-N 3.08Å; S610-S612 PolarHBondContact OG-N 2.86Å; S612-V614 PolarHBondContact O-N 3.03Å
613D90.8Very high95.1Very high38 Ų3848.5 Ų48.520%0.20325%0.252CS..SBendtrans61.924.7-179-73.7-14.1000114.3L320 K600 R604 S610 P611L320-D613 HydrophobicContact CD2-CB 3.93Å; K600-D613 IonicContact NZ-OD2 2.78Å; K600-D613 PolarHBondContact NZ-OD2 2.99Å; R604-D613 IonicContact CZ-OD1 3.59Å; R604-D613 IonicContact NE-OD1 2.65Å; R604-D613 PolarHBondContact NE-OD1 3.03Å; R604-D613 IonicContact NH2-OD1 3.33Å; R604-D613 PolarHBondContact NH2-OD1 2.8Å; R604-D613 IonicContact NH2-OD2 3.2Å; R604-D613 PolarHBondContact NH2-OD2 2.96Å; R604-D613 VanDerWaalsContact NH2-OD2 3.12Å; S610-D613 PolarHBondContact O-N 3.49Å; P611-D613 VanDerWaalsContact C-N 3.31Å
614V92.9Very high95Very high86 Ų8652 Ų5252%0.52127%0.268SS..PPolyproline II helixtrans-88.4130.6172.7-1770000109.3A609 S610 S612 E616A609-V614 CarbonylContact C-O 3.6Å; A609-V614 VanDerWaalsContact CA-O 3.32Å; A609-V614 WeakPolarHBondContact CA-O 3.46Å; S610-V614 PolarHBondContact N-O 3.33Å; S610-V614 WeakPolarHBondContact OG-CB 3.44Å; S610-V614 PolarHBondContact OG-N 3.32Å; S612-V614 PolarHBondContact O-N 3.03Å; V614-E616 PolarHBondContact O-N 3.45Å
615I94.3Very high95Very high15 Ų1547.1 Ų47.18%0.07725%0.25CC..BIsolated β-bridgetrans-67.7130.6-179.8-165170.1000112.1R321 R620 C623R321-I615 HydrophobicContact CB-CD1 3.9Å; R321-I615 HydrophobicContact CB-CG2 4.39Å; R321-I615 HydrophobicContact CG-CD1 4.33Å; R321-I615 HydrophobicContact CG-CG2 4.42Å; I615-R620 HydrophobicContact CD1-CG 4.22Å; I615-R620 HydrophobicContact CG1-CG 4.29Å; I615-R620 HydrophobicContact CG2-CG 4.4Å; I615-C623 VanDerWaalsContact CD1-SG 3.59Å
616E95.6Very high94.8Very high85 Ų8544.2 Ų44.240%0.39725%0.251SS..PPolyproline II helixtrans-94.1173.5177.8-66.7-64.1162.200111.4F608 S610 V614 K618 G619 R620F608-E616 PolarHBondContact O-N 3.07Å; S610-E616 WeakPolarHBondContact CB-OE1 3.16Å; V614-E616 PolarHBondContact O-N 3.45Å; E616-K618 VanDerWaalsContact C-N 3.29Å; E616-K618 PolarHBondContact O-N 2.87Å; E616-G619 WeakPolarHBondContact O-CA 3.48Å; E616-G619 PolarHBondContact O-N 2.92Å; E616-R620 PolarHBondContact O-N 2.97Å
617M93.8Very high94.6Very high97 Ų9744.8 Ų44.848%0.47826%0.255SS..Hα-helixtrans-54.9-43.2177.3-72.6-58.7-65.400112.6G619 R620 V621M617-G619 VanDerWaalsContact C-N 3.31Å; M617-G619 PolarHBondContact O-N 3.22Å; M617-R620 PolarHBondContact O-N 3.4Å; M617-V621 WeakPolarHBondContact O-CG2 3.29Å; M617-V621 PolarHBondContact O-N 3.32Å; M617-V621 VanDerWaalsContact O-N 3.16Å
618K95.8Very high94.4Very high43 Ų4343.9 Ų43.919%0.18725%0.245CC..Hα-helixtrans-57.4-43.4172.7-78.7-171.4171.8-167.70112.2L606 F608 E616 R620 V621 A622 T634 E635 F638L606-K618 PolarHBondContact O-NZ 2.8Å; F608-K618 HydrophobicContact CD1-CB 4.01Å; F608-K618 HydrophobicContact CE1-CB 4.33Å; F608-K618 HydrophobicContact CG-CB 4.3Å; E616-K618 VanDerWaalsContact C-N 3.29Å; E616-K618 PolarHBondContact O-N 2.87Å; K618-R620 VanDerWaalsContact C-N 3.34Å; K618-R620 PolarHBondContact O-N 2.8Å; K618-V621 PolarHBondContact O-N 2.88Å; K618-A622 PolarHBondContact O-N 2.94Å; K618-A622 VanDerWaalsContact O-N 3.08Å; K618-T634 HydrophobicContact CB-CG2 4.39Å; K618-E635 IonicContact NZ-OE1 2.82Å; K618-E635 PolarHBondContact NZ-OE1 3.18Å; K618-E635 IonicContact NZ-OE2 2.64Å; K618-F638 HydrophobicContact CB-CE2 4.32Å; K618-F638 HydrophobicContact CB-CZ 4.34Å; K618-F638 HydrophobicContact CD-CD1 4.44Å; K618-F638 HydrophobicContact CD-CG 4.37Å; K618-F638 HydrophobicContact CG-CD1 3.85Å; K618-F638 HydrophobicContact CG-CD2 3.86Å; K618-F638 HydrophobicContact CG-CE1 3.69Å; K618-F638 HydrophobicContact CG-CE2 3.7Å; K618-F638 HydrophobicContact CG-CG 3.93Å; K618-F638 HydrophobicContact CG-CZ 3.61Å
619G95.8Very high94.3Very high0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-59.5-43.3176.500000112.8F608 E616 M617 V621 A622 C623F608-G619 VanDerWaalsContact O-CA 3.27Å; F608-G619 WeakPolarHBondContact O-CA 3.3Å; F608-G619 PolarHBondContact O-N 3.4Å; E616-G619 WeakPolarHBondContact O-CA 3.48Å; E616-G619 PolarHBondContact O-N 2.92Å; M617-G619 VanDerWaalsContact C-N 3.31Å; M617-G619 PolarHBondContact O-N 3.22Å; G619-V621 VanDerWaalsContact C-N 3.34Å; G619-V621 PolarHBondContact O-N 2.87Å; G619-A622 PolarHBondContact O-N 3.1Å; G619-C623 PolarHBondContact O-N 2.93Å; G619-C623 VanDerWaalsContact O-N 3.08Å; G619-C623 PolarHBondContact O-SG 3.42Å
620R93.8Very high94.2Very high129 Ų12946.1 Ų46.149%0.48726%0.256SS..Hα-helixtrans-62.1-41.1178.2-66.9177.3-177.8-119.8-1.8112I615 E616 M617 K618 C623I615-R620 HydrophobicContact CD1-CG 4.22Å; I615-R620 HydrophobicContact CG1-CG 4.29Å; I615-R620 HydrophobicContact CG2-CG 4.4Å; E616-R620 PolarHBondContact O-N 2.97Å; M617-R620 PolarHBondContact O-N 3.4Å; K618-R620 VanDerWaalsContact C-N 3.34Å; K618-R620 PolarHBondContact O-N 2.8Å; R620-C623 WeakPolarHBondContact O-CB 3.28Å; R620-C623 PolarHBondContact O-N 3.45Å
621V95.3Very high94.3Very high0 Ų045.3 Ų45.30%025%0.25CC..Hα-helixtrans-63.3-44.8176.4178.50000111.4M617 K618 G619 C623 E624 T634 F638 A755 A758 I759M617-V621 WeakPolarHBondContact O-CG2 3.29Å; M617-V621 PolarHBondContact O-N 3.32Å; M617-V621 VanDerWaalsContact O-N 3.16Å; K618-V621 PolarHBondContact O-N 2.88Å; G619-V621 VanDerWaalsContact C-N 3.34Å; G619-V621 PolarHBondContact O-N 2.87Å; V621-C623 PolarHBondContact O-N 3.27Å; V621-E624 WeakPolarHBondContact O-CB 3.27Å; V621-E624 PolarHBondContact O-N 2.97Å; V621-E624 VanDerWaalsContact O-N 3.16Å; V621-T634 HydrophobicContact CB-CG2 4.05Å; V621-T634 HydrophobicContact CG1-CG2 3.95Å; V621-F638 HydrophobicContact CB-CE2 4.22Å; V621-F638 HydrophobicContact CG1-CE2 4.34Å; V621-F638 HydrophobicContact CG2-CE2 3.94Å; V621-F638 HydrophobicContact CG2-CZ 4.21Å; V621-A755 HydrophobicContact CG1-CB 3.71Å; V621-A758 HydrophobicContact CG2-CB 4.47Å; V621-I759 HydrophobicContact CG2-CG2 3.22Å
622A96.6Very high94.5Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-64.1-27176.800000113.5N314 L317 F608 K618 G619 E624 I625 E630 T634N314-A622 PolarHBondContact ND2-O 3.42Å; L317-A622 HydrophobicContact CD1-CB 3.53Å; F608-A622 HydrophobicContact CD1-CB 3.89Å; F608-A622 HydrophobicContact CE1-CB 3.77Å; K618-A622 PolarHBondContact O-N 2.94Å; K618-A622 VanDerWaalsContact O-N 3.08Å; G619-A622 PolarHBondContact O-N 3.1Å; A622-E624 PolarHBondContact O-N 3.36Å; A622-I625 PolarHBondContact O-N 3.49Å; A622-E630 HydrophobicContact CB-CB 4.33Å; A622-T634 WeakPolarHBondContact CA-OG1 3.35Å; A622-T634 WeakPolarHBondContact CB-OG1 3.36Å
623C95.4Very high94.7Very high10 Ų1035.3 Ų35.37%0.06818%0.182CC..Hα-helixtrans-64-28.1175.6-66.20000112.8N314 I615 G619 R620 V621 I625N314-C623 PolarHBondContact ND2-O 3Å; N314-C623 VanDerWaalsContact ND2-O 3.15Å; I615-C623 VanDerWaalsContact CD1-SG 3.59Å; G619-C623 PolarHBondContact O-N 2.93Å; G619-C623 VanDerWaalsContact O-N 3.08Å; G619-C623 PolarHBondContact O-SG 3.42Å; R620-C623 WeakPolarHBondContact O-CB 3.28Å; R620-C623 PolarHBondContact O-N 3.45Å; V621-C623 PolarHBondContact O-N 3.27Å; C623-I625 VanDerWaalsContact C-N 3.26Å; C623-I625 PolarHBondContact O-N 3.09Å
624E95.5Very high95Very high73 Ų7333.5 Ų33.534%0.34117%0.173SC..THydrogen-bonded Turntrans-76.7-13.9179.3-56.6-56.9142.400112.6R321 V621 A622 Q751 A755R321-E624 IonicContact NH1-OE1 3.21Å; V621-E624 WeakPolarHBondContact O-CB 3.27Å; V621-E624 PolarHBondContact O-N 2.97Å; V621-E624 VanDerWaalsContact O-N 3.16Å; A622-E624 PolarHBondContact O-N 3.36Å; E624-Q751 VanDerWaalsContact O-CB 3.3Å; E624-Q751 WeakPolarHBondContact O-CB 3.29Å; E624-Q751 WeakPolarHBondContact O-CG 3.33Å; E624-A755 HydrophobicContact CB-CB 4.26Å
625I95.8Very high95.2Very high0 Ų029.6 Ų29.60%015%0.149CC..  trans-104.2116.4-177.3-58.8166.4000108.8N314 A622 C623 E630 L633 M752 A755N314-I625 PolarHBondContact ND2-O 3.31Å; A622-I625 PolarHBondContact O-N 3.49Å; C623-I625 VanDerWaalsContact C-N 3.26Å; C623-I625 PolarHBondContact O-N 3.09Å; I625-E630 HydrophobicContact CB-CB 4.12Å; I625-E630 HydrophobicContact CG2-CB 4.14Å; I625-L633 HydrophobicContact CD1-CB 3.84Å; I625-L633 HydrophobicContact CG2-CD1 3.77Å; I625-M752 HydrophobicContact CD1-SD 3.86Å; I625-M752 HydrophobicContact CG1-SD 4.29Å; I625-A755 HydrophobicContact CD1-CB 4.4Å; I625-A755 HydrophobicContact CG1-CB 4.35Å
626S92.7Very high95.3Very high77 Ų7728.9 Ų28.954%0.53815%0.145SC..  trans-131.4-17.7-177.361.80000114.3Q751S626-Q751 PolarHBondContact OG-NE2 3.19Å
627S90.4Very high95.3Very high23 Ų2325.4 Ų25.416%0.16113%0.129CC..SBendtrans-960.5-175.6-59.40000113.8E747 Q751S627-E747 VanDerWaalsContact OG-CD 3.26Å; S627-E747 PolarHBondContact OG-OE1 2.8Å; S627-E747 VanDerWaalsContact OG-OE1 3.13Å; S627-Q751 PolarHBondContact OG-NE2 3.36Å
628A92.8Very high95.3Very high13 Ų1324.7 Ų24.711%0.10712%0.124CC..SBendtrans-153.3176.2-176.800000110.8E630 L633 F657 V748A628-E630 PolarHBondContact O-N 3.07Å; A628-L633 HydrophobicContact CB-CD1 3.53Å; A628-F657 HydrophobicContact CB-CB 3.79Å; A628-F657 HydrophobicContact CB-CD1 4.17Å; A628-F657 HydrophobicContact CB-CG 4.35Å; A628-V748 HydrophobicContact CB-CG1 4.37Å; A628-V748 HydrophobicContact CB-CG2 3.86Å
629D95.5Very high95.3Very high28 Ų2826.5 Ų26.515%0.1514%0.136CC..  trans-62.6103.6177.5-171.5-43.9000111.6L631 L632 L633 F657 Y703 F707D629-L631 VanDerWaalsContact C-N 3.35Å; D629-L631 PolarHBondContact O-N 3.44Å; D629-L631 PolarHBondContact OD1-N 3.32Å; D629-L632 HydrophobicContact CB-CB 4.21Å; D629-L632 PolarHBondContact OD1-N 2.66Å; D629-L633 WeakPolarHBondContact O-CB 3.38Å; D629-L633 WeakPolarHBondContact O-CG 3.29Å; D629-L633 PolarHBondContact O-N 2.77Å; D629-L633 VanDerWaalsContact O-N 3.09Å; D629-F657 HydrophobicContact CB-CD1 4.14Å; D629-F657 HydrophobicContact CB-CE1 4.16Å; D629-Y703 WeakPolarHBondContact OD2-CE2 3.43Å; D629-Y703 PolarHBondContact OD2-OH 3.38Å; D629-F707 HydrophobicContact CB-CE1 3.9Å; D629-F707 HydrophobicContact CB-CZ 4.02Å
630E95.4Very high95.2Very high23 Ų2327.2 Ų27.211%0.10714%0.143CC..Hα-helixtrans-66.7-32-174.861.9-85.8-154.600113.4Y313 N314 A622 I625 A628 T634Y313-E630 VanDerWaalsContact CA-OE1 3.26Å; Y313-E630 WeakPolarHBondContact CA-OE1 3.46Å; Y313-E630 WeakPolarHBondContact CB-OE1 3.4Å; Y313-E630 PolarHBondContact N-OE1 3.02Å; N314-E630 HydrophobicContact CB-CG 4.2Å; N314-E630 PolarHBondContact N-OE1 2.92Å; A622-E630 HydrophobicContact CB-CB 4.33Å; I625-E630 HydrophobicContact CB-CB 4.12Å; I625-E630 HydrophobicContact CG2-CB 4.14Å; A628-E630 PolarHBondContact O-N 3.07Å; E630-T634 VanDerWaalsContact O-CB 3.28Å; E630-T634 WeakPolarHBondContact O-CB 3.24Å; E630-T634 PolarHBondContact O-N 3.34Å; E630-T634 PolarHBondContact O-OG1 3.03Å
631L96.8Very high95.3Very high1 Ų121.7 Ų21.71%0.00512%0.123CC..Hα-helixtrans-75.2-49.1179.5-65-169.1000110.5Y313 V602 L603 F608 D629 T634 E635 I687Y313-L631 HydrophobicContact CD1-CD1 3.89Å; Y313-L631 HydrophobicContact CD1-CD2 4.44Å; Y313-L631 HydrophobicContact CD1-CG 4.44Å; Y313-L631 HydrophobicContact CD2-CD1 3.42Å; Y313-L631 VanDerWaalsContact CD2-CD1 3.42Å; Y313-L631 HydrophobicContact CD2-CG 3.8Å; Y313-L631 HydrophobicContact CE1-CD1 3.83Å; Y313-L631 HydrophobicContact CE2-CD1 3.38Å; Y313-L631 HydrophobicContact CE2-CG 4.26Å; Y313-L631 HydrophobicContact CG-CD1 3.67Å; Y313-L631 HydrophobicContact CG-CD2 4.16Å; Y313-L631 HydrophobicContact CG-CG 3.89Å; V602-L631 HydrophobicContact CG1-CD1 4.29Å; L603-L631 HydrophobicContact CD2-CD2 3.74Å; F608-L631 HydrophobicContact CD1-CD2 4.1Å; F608-L631 HydrophobicContact CD2-CD2 4.09Å; F608-L631 HydrophobicContact CE1-CD2 3.86Å; F608-L631 HydrophobicContact CE2-CD2 3.85Å; F608-L631 HydrophobicContact CG-CD2 4.22Å; F608-L631 HydrophobicContact CZ-CB 4.32Å; F608-L631 HydrophobicContact CZ-CD2 3.74Å; D629-L631 VanDerWaalsContact C-N 3.35Å; D629-L631 PolarHBondContact O-N 3.44Å; D629-L631 PolarHBondContact OD1-N 3.32Å; L631-T634 PolarHBondContact O-N 2.94Å; L631-E635 WeakPolarHBondContact O-CB 3.22Å; L631-E635 WeakPolarHBondContact O-CG 3.49Å; L631-E635 PolarHBondContact O-N 3.29Å; L631-I687 HydrophobicContact CB-CD1 4.26Å; L631-I687 HydrophobicContact CD1-CG2 4.46Å
632L96.9Very high95.3Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-65.2-47-177.3179.956.5000111.4D629 T634 E635 M636 F657 M680 C683 A684 I687 F707D629-L632 HydrophobicContact CB-CB 4.21Å; D629-L632 PolarHBondContact OD1-N 2.66Å; L632-T634 VanDerWaalsContact C-N 3.32Å; L632-T634 PolarHBondContact O-N 3.23Å; L632-E635 PolarHBondContact O-N 3.32Å; L632-M636 HydrophobicContact CD1-CG 4.14Å; L632-M636 HydrophobicContact CD1-SD 4.05Å; L632-M636 HydrophobicContact CG-CG 4.48Å; L632-M636 HydrophobicContact CG-SD 3.85Å; L632-M636 WeakPolarHBondContact O-CB 3.26Å; L632-M636 WeakPolarHBondContact O-CG 3.13Å; L632-M636 PolarHBondContact O-N 3.42Å; L632-F657 HydrophobicContact CB-CE1 4.15Å; L632-F657 HydrophobicContact CD2-CE1 3.66Å; L632-F657 HydrophobicContact CD2-CZ 3.67Å; L632-F657 HydrophobicContact CG-CE1 3.92Å; L632-F657 HydrophobicContact CG-CZ 3.9Å; L632-M680 HydrophobicContact CD2-CG 4.28Å; L632-C683 HydrophobicContact CD1-CB 3.6Å; L632-A684 HydrophobicContact CD1-CB 4.12Å; L632-A684 HydrophobicContact CD2-CB 3.83Å; L632-I687 HydrophobicContact CB-CD1 3.91Å; L632-I687 HydrophobicContact CD1-CD1 3.94Å; L632-F707 HydrophobicContact CD2-CD1 4.34Å; L632-F707 HydrophobicContact CD2-CD2 4.28Å; L632-F707 HydrophobicContact CD2-CE1 3.78Å; L632-F707 HydrophobicContact CD2-CE2 3.71Å; L632-F707 HydrophobicContact CD2-CZ 3.43Å; L632-F707 VanDerWaalsContact CD2-CZ 3.43Å
633L97.1Very high95.2Very high0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-61.4-41.5178.8-72.8176.9000112I625 A628 D629 M636 V637 F642 L654 F657 V748 M752I625-L633 HydrophobicContact CD1-CB 3.84Å; I625-L633 HydrophobicContact CG2-CD1 3.77Å; A628-L633 HydrophobicContact CB-CD1 3.53Å; D629-L633 WeakPolarHBondContact O-CB 3.38Å; D629-L633 WeakPolarHBondContact O-CG 3.29Å; D629-L633 PolarHBondContact O-N 2.77Å; D629-L633 VanDerWaalsContact O-N 3.09Å; L633-M636 HydrophobicContact CD2-SD 4.44Å; L633-M636 PolarHBondContact O-N 3.1Å; L633-V637 WeakPolarHBondContact O-CG2 3.47Å; L633-V637 PolarHBondContact O-N 3.03Å; L633-F642 HydrophobicContact CD2-CZ 4.39Å; L633-L654 HydrophobicContact CD2-CD2 3.38Å; L633-F657 HydrophobicContact CD1-CD1 4.16Å; L633-F657 HydrophobicContact CD1-CE1 4.38Å; L633-F657 HydrophobicContact CD2-CD1 3.97Å; L633-F657 HydrophobicContact CD2-CD2 4.06Å; L633-F657 HydrophobicContact CD2-CE1 3.6Å; L633-F657 HydrophobicContact CD2-CE2 3.71Å; L633-F657 HydrophobicContact CD2-CG 4.19Å; L633-F657 HydrophobicContact CD2-CZ 3.48Å; L633-F657 VanDerWaalsContact CD2-CZ 3.48Å; L633-F657 HydrophobicContact CG-CD1 3.88Å; L633-F657 HydrophobicContact CG-CE1 3.61Å; L633-F657 HydrophobicContact CG-CG 4.49Å; L633-F657 HydrophobicContact CG-CZ 4.02Å; L633-V748 HydrophobicContact CD1-CG1 4.24Å; L633-M752 HydrophobicContact CB-SD 4.15Å; L633-M752 HydrophobicContact CD1-SD 4.16Å; L633-M752 HydrophobicContact CD2-SD 4.48Å
634T97.1Very high95Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-66.6-44.3176.5-56.70000111.7F608 K618 V621 A622 E630 L631 L632 M636 V637 F638F608-T634 HydrophobicContact CD1-CG2 4.47Å; F608-T634 HydrophobicContact CE1-CG2 3.54Å; F608-T634 HydrophobicContact CZ-CG2 4.07Å; K618-T634 HydrophobicContact CB-CG2 4.39Å; V621-T634 HydrophobicContact CB-CG2 4.05Å; V621-T634 HydrophobicContact CG1-CG2 3.95Å; A622-T634 WeakPolarHBondContact CA-OG1 3.35Å; A622-T634 WeakPolarHBondContact CB-OG1 3.36Å; E630-T634 VanDerWaalsContact O-CB 3.28Å; E630-T634 WeakPolarHBondContact O-CB 3.24Å; E630-T634 PolarHBondContact O-N 3.34Å; E630-T634 PolarHBondContact O-OG1 3.03Å; L631-T634 PolarHBondContact O-N 2.94Å; L632-T634 VanDerWaalsContact C-N 3.32Å; L632-T634 PolarHBondContact O-N 3.23Å; T634-M636 VanDerWaalsContact C-N 3.29Å; T634-M636 PolarHBondContact O-N 3.19Å; T634-V637 PolarHBondContact O-N 2.91Å; T634-F638 HydrophobicContact CG2-CD2 3.75Å; T634-F638 HydrophobicContact CG2-CE2 3.81Å; T634-F638 WeakPolarHBondContact O-CD2 3.47Å; T634-F638 PolarHBondContact O-N 2.9Å
635E96.6Very high95Very high5 Ų529.4 Ų29.42%0.02317%0.166CC..Hα-helixtrans-59.6-40.4175.2-80-67.4120.700111.7F608 K618 L631 L632 V637 F638 N639 R686 I687F608-E635 HydrophobicContact CE2-CG 4.25Å; F608-E635 HydrophobicContact CZ-CG 4.16Å; K618-E635 IonicContact NZ-OE1 2.82Å; K618-E635 PolarHBondContact NZ-OE1 3.18Å; K618-E635 IonicContact NZ-OE2 2.64Å; L631-E635 WeakPolarHBondContact O-CB 3.22Å; L631-E635 WeakPolarHBondContact O-CG 3.49Å; L631-E635 PolarHBondContact O-N 3.29Å; L632-E635 PolarHBondContact O-N 3.32Å; E635-V637 PolarHBondContact O-N 2.69Å; E635-F638 PolarHBondContact O-N 3.42Å; E635-N639 VanDerWaalsContact O-CB 3.26Å; E635-N639 WeakPolarHBondContact O-CB 3.48Å; E635-N639 PolarHBondContact O-N 3.18Å; E635-N639 PolarHBondContact O-ND2 3.27Å; E635-R686 IonicContact OE2-NH1 2.82Å; E635-I687 HydrophobicContact CB-CD1 4.39Å; E635-I687 HydrophobicContact CG-CD1 4.14Å
636M96.4Very high95Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-63.3-39.9176.5-70.1166.866.800112.4L632 L633 T634 G640 L641 F642 L653 F657 M680 C683L632-M636 HydrophobicContact CD1-CG 4.14Å; L632-M636 HydrophobicContact CD1-SD 4.05Å; L632-M636 HydrophobicContact CG-CG 4.48Å; L632-M636 HydrophobicContact CG-SD 3.85Å; L632-M636 WeakPolarHBondContact O-CB 3.26Å; L632-M636 WeakPolarHBondContact O-CG 3.13Å; L632-M636 PolarHBondContact O-N 3.42Å; L633-M636 HydrophobicContact CD2-SD 4.44Å; L633-M636 PolarHBondContact O-N 3.1Å; T634-M636 VanDerWaalsContact C-N 3.29Å; T634-M636 PolarHBondContact O-N 3.19Å; M636-G640 PolarHBondContact O-N 3.11Å; M636-L641 HydrophobicContact CB-CB 4.37Å; M636-L641 HydrophobicContact CE-CD1 4.02Å; M636-L641 HydrophobicContact CE-CD2 3.88Å; M636-L641 HydrophobicContact CG-CD1 4.26Å; M636-L641 WeakPolarHBondContact O-CB 3.45Å; M636-L641 PolarHBondContact O-N 3.36Å; M636-F642 HydrophobicContact CB-CD2 4.27Å; M636-F642 HydrophobicContact CB-CE2 3.65Å; M636-F642 HydrophobicContact CB-CZ 4.41Å; M636-F642 HydrophobicContact CE-CE1 4.33Å; M636-F642 HydrophobicContact CE-CE2 4Å; M636-F642 HydrophobicContact CE-CZ 3.61Å; M636-L653 HydrophobicContact CE-CD2 3.52Å; M636-L653 HydrophobicContact CE-CG 4.17Å; M636-F657 HydrophobicContact CE-CE2 4.48Å; M636-F657 HydrophobicContact CE-CZ 4.46Å; M636-F657 HydrophobicContact SD-CE2 4.32Å; M636-F657 HydrophobicContact SD-CZ 3.73Å; M636-M680 HydrophobicContact CE-CB 4.03Å; M636-M680 HydrophobicContact CE-CG 3.89Å; M636-M680 HydrophobicContact SD-CB 4.36Å; M636-M680 HydrophobicContact SD-CG 3.79Å; M636-C683 HydrophobicContact CG-CB 4.45Å
637V95.8Very high95.2Very high11 Ų1129.3 Ų29.37%0.06716%0.162CC..Hα-helixtrans-62.9-49174.4170.10000110.9L633 T634 E635 N639 G640 F642 M752 I759 L764L633-V637 WeakPolarHBondContact O-CG2 3.47Å; L633-V637 PolarHBondContact O-N 3.03Å; T634-V637 PolarHBondContact O-N 2.91Å; E635-V637 PolarHBondContact O-N 2.69Å; V637-N639 VanDerWaalsContact C-N 3.34Å; V637-N639 PolarHBondContact O-N 3.17Å; V637-G640 PolarHBondContact O-N 3.32Å; V637-F642 HydrophobicContact CG2-CD2 3.82Å; V637-F642 HydrophobicContact CG2-CE2 4.01Å; V637-M752 HydrophobicContact CG2-CE 3.46Å; V637-M752 VanDerWaalsContact CG2-CE 3.46Å; V637-I759 HydrophobicContact CG1-CD1 3.85Å; V637-L764 HydrophobicContact CG1-CD1 4.09Å
638F94.9Very high95.5Very high82 Ų8229.6 Ų29.636%0.3616%0.161SC..Hα-helixtrans-72.8-24.3-178.3-83.3-97.3000113.9K618 V621 T634 E635 G640 I759K618-F638 HydrophobicContact CB-CE2 4.32Å; K618-F638 HydrophobicContact CB-CZ 4.34Å; K618-F638 HydrophobicContact CD-CD1 4.44Å; K618-F638 HydrophobicContact CD-CG 4.37Å; K618-F638 HydrophobicContact CG-CD1 3.85Å; K618-F638 HydrophobicContact CG-CD2 3.86Å; K618-F638 HydrophobicContact CG-CE1 3.69Å; K618-F638 HydrophobicContact CG-CE2 3.7Å; K618-F638 HydrophobicContact CG-CG 3.93Å; K618-F638 HydrophobicContact CG-CZ 3.61Å; V621-F638 HydrophobicContact CB-CE2 4.22Å; V621-F638 HydrophobicContact CG1-CE2 4.34Å; V621-F638 HydrophobicContact CG2-CE2 3.94Å; V621-F638 HydrophobicContact CG2-CZ 4.21Å; T634-F638 HydrophobicContact CG2-CD2 3.75Å; T634-F638 HydrophobicContact CG2-CE2 3.81Å; T634-F638 WeakPolarHBondContact O-CD2 3.47Å; T634-F638 PolarHBondContact O-N 2.9Å; E635-F638 PolarHBondContact O-N 3.42Å; F638-G640 PolarHBondContact O-N 3.29Å; F638-I759 HydrophobicContact CE2-CG2 4.24Å; F638-I759 HydrophobicContact CZ-CG2 3.89Å
639N94.3Very high95.7Very high81 Ų8130.4 Ų30.443%0.43316%0.162SC..THydrogen-bonded Turntrans-78.3-2.8170.7-67.9-21.3000112.5E635 V637 L641E635-N639 VanDerWaalsContact O-CB 3.26Å; E635-N639 WeakPolarHBondContact O-CB 3.48Å; E635-N639 PolarHBondContact O-N 3.18Å; E635-N639 PolarHBondContact O-ND2 3.27Å; V637-N639 VanDerWaalsContact C-N 3.34Å; V637-N639 PolarHBondContact O-N 3.17Å; N639-L641 VanDerWaalsContact C-N 3.28Å; N639-L641 PolarHBondContact O-N 3.45Å
640G94.1Very high95.8Very high15 Ų1529.1 Ų29.116%0.15516%0.156CC..THydrogen-bonded Turntrans7413.7178.400000114.5M636 V637 F638 F642 N643M636-G640 PolarHBondContact O-N 3.11Å; V637-G640 PolarHBondContact O-N 3.32Å; F638-G640 PolarHBondContact O-N 3.29Å; G640-F642 VanDerWaalsContact C-N 3.27Å; G640-F642 PolarHBondContact O-N 2.99Å; G640-N643 WeakPolarHBondContact CA-ND2 3.25Å; G640-N643 VanDerWaalsContact O-CB 3.29Å; G640-N643 WeakPolarHBondContact O-CB 3.45Å; G640-N643 PolarHBondContact O-N 2.76Å
641L95.2Very high95.8Very high13 Ų1328 Ų287%0.06815%0.151CC..THydrogen-bonded Turntrans-56.7-42.9-176-176.2154.6000111.4M636 N639 N643 L645 L653 Q679M636-L641 HydrophobicContact CB-CB 4.37Å; M636-L641 HydrophobicContact CE-CD1 4.02Å; M636-L641 HydrophobicContact CE-CD2 3.88Å; M636-L641 HydrophobicContact CG-CD1 4.26Å; M636-L641 WeakPolarHBondContact O-CB 3.45Å; M636-L641 PolarHBondContact O-N 3.36Å; N639-L641 VanDerWaalsContact C-N 3.28Å; N639-L641 PolarHBondContact O-N 3.45Å; L641-N643 VanDerWaalsContact C-N 3.25Å; L641-N643 PolarHBondContact O-N 3.18Å; L641-L645 HydrophobicContact CD2-CD1 3.63Å; L641-L645 HydrophobicContact CD2-CG 4.39Å; L641-L645 WeakPolarHBondContact O-CG 3.42Å; L641-L653 HydrophobicContact CD2-CD2 3.52Å; L641-Q679 HydrophobicContact CD1-CB 3.68Å
642F96.2Very high95.8Very high0 Ų028 Ų280%015%0.151CC..THydrogen-bonded Turntrans-74.5-10.5-178.6-66.1-74.1000114.1L633 M636 V637 G640 L645 A650 L653 L654 M752 L764 K767 F768L633-F642 HydrophobicContact CD2-CZ 4.39Å; M636-F642 HydrophobicContact CB-CD2 4.27Å; M636-F642 HydrophobicContact CB-CE2 3.65Å; M636-F642 HydrophobicContact CB-CZ 4.41Å; M636-F642 HydrophobicContact CE-CE1 4.33Å; M636-F642 HydrophobicContact CE-CE2 4Å; M636-F642 HydrophobicContact CE-CZ 3.61Å; V637-F642 HydrophobicContact CG2-CD2 3.82Å; V637-F642 HydrophobicContact CG2-CE2 4.01Å; G640-F642 VanDerWaalsContact C-N 3.27Å; G640-F642 PolarHBondContact O-N 2.99Å; F642-L645 HydrophobicContact CD1-CD1 4.13Å; F642-A650 HydrophobicContact CD1-CB 3.97Å; F642-A650 HydrophobicContact CE1-CB 4.45Å; F642-L653 HydrophobicContact CE1-CD2 4.32Å; F642-L654 HydrophobicContact CE1-CD2 4.19Å; F642-L654 HydrophobicContact CE1-CG 4.21Å; F642-L654 HydrophobicContact CZ-CD2 3.88Å; F642-L654 HydrophobicContact CZ-CG 4.41Å; F642-M752 HydrophobicContact CD2-CE 4.4Å; F642-M752 HydrophobicContact CE2-CE 3.9Å; F642-M752 HydrophobicContact CZ-CE 4.26Å; F642-L764 HydrophobicContact CB-CD2 3.83Å; F642-K767 PolarHBondContact O-NZ 3.41Å; F642-F768 HydrophobicContact CB-CZ 4.15Å; F642-F768 AromaticContact CD1-CE1 3.99Å; F642-F768 HydrophobicContact CD1-CE1 3.99Å; F642-F768 HydrophobicContact CD1-CZ 4.04Å; F642-F768 HydrophobicContact CD2-CZ 4.14Å; F642-F768 HydrophobicContact CE1-CE1 4.29Å; F642-F768 HydrophobicContact CE1-CZ 4.47Å; F642-F768 HydrophobicContact CG-CE1 4.28Å; F642-F768 AromaticContact CG-CZ 3.86Å; F642-F768 HydrophobicContact CG-CZ 3.86Å
643N93.8Very high95.8Very high79 Ų7928 Ų2842%0.42215%0.151SC..THydrogen-bonded Turntrans-68.7-42.8-176.8-64.1-13.4000111.1G640 L641 K767G640-N643 WeakPolarHBondContact CA-ND2 3.25Å; G640-N643 VanDerWaalsContact O-CB 3.29Å; G640-N643 WeakPolarHBondContact O-CB 3.45Å; G640-N643 PolarHBondContact O-N 2.76Å; L641-N643 VanDerWaalsContact C-N 3.25Å; L641-N643 PolarHBondContact O-N 3.18Å; N643-K767 PolarHBondContact O-NZ 3.24Å
644D91.6Very high95.8Very high152 Ų15228 Ų2881%0.81315%0.151SC*.SBendtrans-86.6-12.3-175.9-62.1-31.2000113.7
645L95.6Very high95.7Very high14 Ų1428 Ų287%0.07315%0.151CC..SBendtrans-77.1145.4-179.8-60.8-173.9000112.1L641 F642 Q649 A650 L653 P676 K767L641-L645 HydrophobicContact CD2-CD1 3.63Å; L641-L645 HydrophobicContact CD2-CG 4.39Å; L641-L645 WeakPolarHBondContact O-CG 3.42Å; F642-L645 HydrophobicContact CD1-CD1 4.13Å; L645-Q649 HydrophobicContact CB-CB 4.13Å; L645-Q649 HydrophobicContact CD2-CB 4.38Å; L645-A650 HydrophobicContact CB-CB 4.28Å; L645-A650 HydrophobicContact CD1-CB 4.42Å; L645-L653 HydrophobicContact CD1-CD2 4Å; L645-P676 HydrophobicContact CD1-CB 4.32Å; L645-P676 HydrophobicContact CD2-CB 3.99Å; L645-P676 HydrophobicContact CD2-CG 3.57Å; L645-K767 PolarHBondContact O-NZ 3.2Å
646T96.4Very high95.6Very high61 Ų6127.8 Ų27.837%0.37415%0.15SC..  trans-68163.7164.1820000110.7E648 Q649 A650T646-E648 VanDerWaalsContact C-N 3.26Å; T646-E648 VanDerWaalsContact CB-OE2 3.27Å; T646-E648 WeakPolarHBondContact CB-OE2 3.45Å; T646-E648 PolarHBondContact O-N 3.32Å; T646-E648 PolarHBondContact OG1-N 2.67Å; T646-E648 PolarHBondContact OG1-OE2 2.89Å; T646-Q649 PolarHBondContact O-N 3.33Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.43Å; T646-Q649 PolarHBondContact OG1-N 3.07Å; T646-A650 WeakPolarHBondContact O-CB 3.43Å; T646-A650 PolarHBondContact O-N 3.35Å
647V97.4Very high95.5Very high14 Ų1428.6 Ų28.69%0.08515%0.153CC..Hα-helixtrans-56.8-43177.6176.20000111.1T651 K767 E770 G771 K774V647-T651 VanDerWaalsContact O-CB 3.32Å; V647-T651 WeakPolarHBondContact O-CB 3.49Å; V647-T651 PolarHBondContact O-N 2.89Å; V647-T651 PolarHBondContact O-OG1 3.28Å; V647-K767 HydrophobicContact CG2-CG 3.96Å; V647-E770 HydrophobicContact CG1-CB 4.15Å; V647-E770 HydrophobicContact CG1-CG 4.27Å; V647-E770 HydrophobicContact CG2-CB 4.26Å; V647-E770 HydrophobicContact CG2-CG 4.35Å; V647-G771 VanDerWaalsContact CG1-CA 3.42Å; V647-G771 VanDerWaalsContact CG1-N 3.3Å; V647-K774 HydrophobicContact CG1-CD 3.92Å
648E96.6Very high95.4Very high30 Ų3028.2 Ų28.214%0.1415%0.151CC..Hα-helixtrans-68.4-41.2-179.7-53.579.1-169.900111.3T646 T651 A652 F716 A719 K774T646-E648 VanDerWaalsContact C-N 3.26Å; T646-E648 VanDerWaalsContact CB-OE2 3.27Å; T646-E648 WeakPolarHBondContact CB-OE2 3.45Å; T646-E648 PolarHBondContact O-N 3.32Å; T646-E648 PolarHBondContact OG1-N 2.67Å; T646-E648 PolarHBondContact OG1-OE2 2.89Å; E648-T651 PolarHBondContact O-N 3.41Å; E648-A652 VanDerWaalsContact O-CB 3.24Å; E648-A652 WeakPolarHBondContact O-CB 3.43Å; E648-A652 PolarHBondContact O-N 3.45Å; E648-F716 HydrophobicContact CB-CD2 3.7Å; E648-F716 HydrophobicContact CB-CE2 3.59Å; E648-A719 HydrophobicContact CB-CB 3.97Å; E648-A719 HydrophobicContact CG-CB 3.9Å; E648-K774 HydrophobicContact CG-CD 4.35Å; E648-K774 WeakPolarHBondContact OE1-CE 3.49Å; E648-K774 IonicContact OE1-NZ 3.9Å; E648-K774 PolarHBondContact OE1-NZ 2.88Å
649Q96.1Very high95.3Very high29 Ų2924.5 Ų24.514%0.13614%0.135CC..Hα-helixtrans-65.7-44.2176.6-71.3175.7-26.200111.9L645 T646 T651 A652 L653 L673 F716L645-Q649 HydrophobicContact CB-CB 4.13Å; L645-Q649 HydrophobicContact CD2-CB 4.38Å; T646-Q649 PolarHBondContact O-N 3.33Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.43Å; T646-Q649 PolarHBondContact OG1-N 3.07Å; Q649-T651 VanDerWaalsContact C-N 3.34Å; Q649-T651 PolarHBondContact O-N 3.3Å; Q649-A652 PolarHBondContact O-N 2.81Å; Q649-L653 WeakPolarHBondContact O-CB 3.44Å; Q649-L653 PolarHBondContact O-N 3.16Å; Q649-L673 HydrophobicContact CG-CD2 4.39Å; Q649-F716 HydrophobicContact CG-CE2 3.91Å
650A96.9Very high94.7Very high1 Ų125.1 Ų25.11%0.00814%0.135CC..Hα-helixtrans-60.7-45.917700000111F642 L645 T646 L653 L654F642-A650 HydrophobicContact CD1-CB 3.97Å; F642-A650 HydrophobicContact CE1-CB 4.45Å; L645-A650 HydrophobicContact CB-CB 4.28Å; L645-A650 HydrophobicContact CD1-CB 4.42Å; T646-A650 WeakPolarHBondContact O-CB 3.43Å; T646-A650 PolarHBondContact O-N 3.35Å; A650-L653 PolarHBondContact O-N 3.41Å; A650-L654 WeakPolarHBondContact O-CG 3.49Å; A650-L654 PolarHBondContact O-N 2.83Å
651T96.9Very high94.1Very high1 Ų126.9 Ų26.91%0.00614%0.139CC..Hα-helixtrans-62.7-44177.4-58.80000111.8V647 E648 Q649 L654 S655 V715 L745 L749 I775V647-T651 VanDerWaalsContact O-CB 3.32Å; V647-T651 WeakPolarHBondContact O-CB 3.49Å; V647-T651 PolarHBondContact O-N 2.89Å; V647-T651 PolarHBondContact O-OG1 3.28Å; E648-T651 PolarHBondContact O-N 3.41Å; Q649-T651 VanDerWaalsContact C-N 3.34Å; Q649-T651 PolarHBondContact O-N 3.3Å; T651-L654 PolarHBondContact O-N 3.11Å; T651-S655 PolarHBondContact O-N 3.39Å; T651-V715 HydrophobicContact CG2-CG1 3.85Å; T651-L745 HydrophobicContact CG2-CD2 3.85Å; T651-L749 HydrophobicContact CG2-CD1 4.25Å; T651-I775 HydrophobicContact CG2-CG2 3.45Å; T651-I775 VanDerWaalsContact CG2-CG2 3.45Å
652A96.1Very high93.1Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-62.9-41.717600000112.4E648 Q649 S655 L673 M712 F716E648-A652 VanDerWaalsContact O-CB 3.24Å; E648-A652 WeakPolarHBondContact O-CB 3.43Å; E648-A652 PolarHBondContact O-N 3.45Å; Q649-A652 PolarHBondContact O-N 2.81Å; A652-S655 VanDerWaalsContact O-CB 3.28Å; A652-S655 WeakPolarHBondContact O-CB 3.23Å; A652-S655 PolarHBondContact O-N 3.04Å; A652-S655 PolarHBondContact O-OG 2.99Å; A652-L673 HydrophobicContact CB-CD2 4.07Å; A652-M712 WeakPolarHBondContact CB-O 3.39Å; A652-F716 HydrophobicContact CB-CB 3.87Å; A652-F716 HydrophobicContact CB-CD2 4.32Å
653L96.4Very high92Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-64.3-40.9177.6-175.962.6000112.3M636 L641 F642 L645 Q649 A650 S655 C656 P676 M680 M712M636-L653 HydrophobicContact CE-CD2 3.52Å; M636-L653 HydrophobicContact CE-CG 4.17Å; L641-L653 HydrophobicContact CD2-CD2 3.52Å; F642-L653 HydrophobicContact CE1-CD2 4.32Å; L645-L653 HydrophobicContact CD1-CD2 4Å; Q649-L653 WeakPolarHBondContact O-CB 3.44Å; Q649-L653 PolarHBondContact O-N 3.16Å; A650-L653 PolarHBondContact O-N 3.41Å; L653-S655 PolarHBondContact O-N 3.12Å; L653-C656 VanDerWaalsContact O-CB 3.32Å; L653-C656 WeakPolarHBondContact O-CB 3.5Å; L653-C656 PolarHBondContact O-N 2.65Å; L653-C656 PolarHBondContact O-SG 3.08Å; L653-P676 HydrophobicContact CD1-CB 4.38Å; L653-P676 HydrophobicContact CD2-CB 4.07Å; L653-M680 HydrophobicContact CD1-CB 4.06Å; L653-M680 HydrophobicContact CD1-CG 4.43Å; L653-M680 HydrophobicContact CD1-SD 3.83Å; L653-M680 HydrophobicContact CG-SD 4.49Å; L653-M712 HydrophobicContact CD1-CE 4.05Å
654L97.1Very high90.5Very high0 Ų036.5 Ų36.50%019%0.193CC..Hα-helixtrans-63.9-22.9177.1-71.3173.1000112.8L633 F642 A650 T651 C656 F657 L745 V748 L749 M752 F768L633-L654 HydrophobicContact CD2-CD2 3.38Å; F642-L654 HydrophobicContact CE1-CD2 4.19Å; F642-L654 HydrophobicContact CE1-CG 4.21Å; F642-L654 HydrophobicContact CZ-CD2 3.88Å; F642-L654 HydrophobicContact CZ-CG 4.41Å; A650-L654 WeakPolarHBondContact O-CG 3.49Å; A650-L654 PolarHBondContact O-N 2.83Å; T651-L654 PolarHBondContact O-N 3.11Å; L654-C656 PolarHBondContact O-N 3.17Å; L654-F657 WeakPolarHBondContact O-CB 3.39Å; L654-F657 PolarHBondContact O-N 3.23Å; L654-F657 VanDerWaalsContact O-N 3.1Å; L654-L745 HydrophobicContact CB-CD1 3.49Å; L654-L745 VanDerWaalsContact CB-CD1 3.49Å; L654-V748 HydrophobicContact CD2-CG1 4.25Å; L654-L749 HydrophobicContact CD1-CD2 3.54Å; L654-L749 HydrophobicContact CD1-CG 4.18Å; L654-M752 HydrophobicContact CD1-CG 4.34Å; L654-M752 HydrophobicContact CD2-CG 4.48Å; L654-F768 HydrophobicContact CD1-CD1 4.27Å; L654-F768 HydrophobicContact CD1-CE1 4.06Å
655S95.5Very high89.1Confident0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-59.4-28.6175.278.90000113.4T651 A652 L653 F657 V658 F659T651-S655 PolarHBondContact O-N 3.39Å; A652-S655 VanDerWaalsContact O-CB 3.28Å; A652-S655 WeakPolarHBondContact O-CB 3.23Å; A652-S655 PolarHBondContact O-N 3.04Å; A652-S655 PolarHBondContact O-OG 2.99Å; L653-S655 PolarHBondContact O-N 3.12Å; S655-F657 PolarHBondContact O-N 3.25Å; S655-V658 WeakPolarHBondContact O-CG2 3.44Å; S655-V658 PolarHBondContact O-N 3.18Å; S655-F659 PolarHBondContact O-N 3.23Å; S655-F659 VanDerWaalsContact O-N 3.14Å
656C94.9Very high87.6Confident0 Ų042.5 Ų42.50%022%0.217CC..Hα-helixtrans-60.2-26.7177.2-64.60000113.3L653 L654 M680 F707 K708 M712L653-C656 VanDerWaalsContact O-CB 3.32Å; L653-C656 WeakPolarHBondContact O-CB 3.5Å; L653-C656 PolarHBondContact O-N 2.65Å; L653-C656 PolarHBondContact O-SG 3.08Å; L654-C656 PolarHBondContact O-N 3.17Å; C656-M680 HydrophobicContact CB-CE 4.49Å; C656-M680 HydrophobicContact CB-SD 4.16Å; C656-F707 HydrophobicContact CB-CB 4.34Å; C656-F707 WeakPolarHBondContact O-CA 3.39Å; C656-K708 PolarHBondContact O-N 3.01Å; C656-K708 VanDerWaalsContact O-N 3.07Å; C656-M712 WeakPolarHBondContact SG-CG 3.42Å; C656-M712 PolarHBondContact SG-SD 3.29Å
657F94.8Very high86.1Confident17 Ų1741 Ų418%0.07521%0.208CC..Hα-helixtrans-85-25-176-69.2-102000113A628 D629 L632 L633 M636 L654 S655 M680 F707A628-F657 HydrophobicContact CB-CB 3.79Å; A628-F657 HydrophobicContact CB-CD1 4.17Å; A628-F657 HydrophobicContact CB-CG 4.35Å; D629-F657 HydrophobicContact CB-CD1 4.14Å; D629-F657 HydrophobicContact CB-CE1 4.16Å; L632-F657 HydrophobicContact CB-CE1 4.15Å; L632-F657 HydrophobicContact CD2-CE1 3.66Å; L632-F657 HydrophobicContact CD2-CZ 3.67Å; L632-F657 HydrophobicContact CG-CE1 3.92Å; L632-F657 HydrophobicContact CG-CZ 3.9Å; L633-F657 HydrophobicContact CD1-CD1 4.16Å; L633-F657 HydrophobicContact CD1-CE1 4.38Å; L633-F657 HydrophobicContact CD2-CD1 3.97Å; L633-F657 HydrophobicContact CD2-CD2 4.06Å; L633-F657 HydrophobicContact CD2-CE1 3.6Å; L633-F657 HydrophobicContact CD2-CE2 3.71Å; L633-F657 HydrophobicContact CD2-CG 4.19Å; L633-F657 HydrophobicContact CD2-CZ 3.48Å; L633-F657 VanDerWaalsContact CD2-CZ 3.48Å; L633-F657 HydrophobicContact CG-CD1 3.88Å; L633-F657 HydrophobicContact CG-CE1 3.61Å; L633-F657 HydrophobicContact CG-CG 4.49Å; L633-F657 HydrophobicContact CG-CZ 4.02Å; M636-F657 HydrophobicContact CE-CE2 4.48Å; M636-F657 HydrophobicContact CE-CZ 4.46Å; M636-F657 HydrophobicContact SD-CE2 4.32Å; M636-F657 HydrophobicContact SD-CZ 3.73Å; L654-F657 WeakPolarHBondContact O-CB 3.39Å; L654-F657 PolarHBondContact O-N 3.23Å; L654-F657 VanDerWaalsContact O-N 3.1Å; S655-F657 PolarHBondContact O-N 3.25Å; F657-M680 HydrophobicContact CE2-CG 4.27Å; F657-M680 HydrophobicContact CE2-SD 3.62Å; F657-M680 HydrophobicContact CZ-CG 4.15Å; F657-M680 HydrophobicContact CZ-SD 3.98Å; F657-F707 AromaticContact CD1-CD1 3.84Å; F657-F707 HydrophobicContact CD1-CD1 3.84Å; F657-F707 AromaticContact CD1-CE1 3.59Å; F657-F707 HydrophobicContact CD1-CE1 3.59Å; F657-F707 AromaticContact CE1-CD1 3.93Å; F657-F707 HydrophobicContact CE1-CD1 3.93Å; F657-F707 AromaticContact CE1-CE1 3.56Å; F657-F707 HydrophobicContact CE1-CE1 3.56Å; F657-F707 HydrophobicContact CE1-CZ 4.43Å; F657-F707 HydrophobicContact CG-CD1 4.2Å; F657-F707 HydrophobicContact CG-CE1 4.38Å; F657-F707 HydrophobicContact CZ-CD1 4.34Å; F657-F707 HydrophobicContact CZ-CE1 4.33Å
658V93.7Very high84.6Confident3 Ų350.2 Ų50.22%0.01825%0.247CC..Hα-helixtrans-105.9-22-172.7-64.90000113.2S655 Q660 R744 L745 V748S655-V658 WeakPolarHBondContact O-CG2 3.44Å; S655-V658 PolarHBondContact O-N 3.18Å; V658-Q660 PolarHBondContact O-N 3.09Å; V658-R744 HydrophobicContact CB-CB 3.95Å; V658-R744 HydrophobicContact CG1-CB 4.05Å; V658-L745 HydrophobicContact CG2-CB 4.07Å; V658-L745 HydrophobicContact CG2-CD1 4.41Å; V658-V748 HydrophobicContact CG1-CB 4.34Å; V658-V748 HydrophobicContact CG1-CG2 3.47Å; V658-V748 VanDerWaalsContact CG1-CG2 3.47Å
659F91.3Very high83.6Confident5 Ų550.7 Ų50.72%0.02225%0.251CS..  trans-80.6112178.7-177-113000111.4S655 E661 A663 K708 H710 L711 V733 C741S655-F659 PolarHBondContact O-N 3.23Å; S655-F659 VanDerWaalsContact O-N 3.14Å; F659-E661 WeakPolarHBondContact CE1-O 3.48Å; F659-E661 HydrophobicContact CE2-CB 3.83Å; F659-E661 HydrophobicContact CE2-CG 4.48Å; F659-E661 HydrophobicContact CZ-CB 3.83Å; F659-E661 WeakPolarHBondContact CZ-O 3.39Å; F659-A663 HydrophobicContact CE1-CB 4.49Å; F659-A663 HydrophobicContact CZ-CB 4.49Å; F659-K708 HydrophobicContact CD1-CB 3.72Å; F659-K708 HydrophobicContact CD1-CD 4.17Å; F659-K708 HydrophobicContact CE1-CB 4.41Å; F659-K708 HydrophobicContact CE1-CD 4.36Å; F659-H710 HydrophobicContact CD1-CB 4.23Å; F659-H710 HydrophobicContact CE1-CB 3.8Å; F659-L711 HydrophobicContact CB-CD1 4.37Å; F659-L711 HydrophobicContact CD1-CG 4.32Å; F659-L711 HydrophobicContact CD2-CD1 3.28Å; F659-L711 HydrophobicContact CD2-CG 3.94Å; F659-L711 HydrophobicContact CE1-CG 4.45Å; F659-L711 HydrophobicContact CE2-CD1 3.58Å; F659-L711 HydrophobicContact CE2-CG 4.05Å; F659-L711 HydrophobicContact CG-CD1 3.81Å; F659-L711 HydrophobicContact CG-CG 4.07Å; F659-L711 HydrophobicContact CZ-CD1 4.33Å; F659-L711 HydrophobicContact CZ-CG 4.3Å; F659-V733 HydrophobicContact CE2-CG1 4.15Å; F659-V733 HydrophobicContact CE2-CG2 4.33Å; F659-V733 HydrophobicContact CZ-CG1 4.49Å; F659-V733 HydrophobicContact CZ-CG2 3.89Å; F659-C741 HydrophobicContact CD2-CB 4.49Å
660Q81.8Confident82.7Confident93 Ų9353 Ų5344%0.43527%0.267SS..  trans-109.8-12.7-175.6-68175.5-32.500114V658 K708 R744V658-Q660 PolarHBondContact O-N 3.09Å; Q660-K708 PolarHBondContact O-NZ 2.92Å; Q660-R744 VanDerWaalsContact CD-NH1 3.3Å
661E82.3Confident81.6Confident52 Ų5261.4 Ų61.424%0.24331%0.306CS..SBendtrans-73.4154.3-177.8-59.7-164.517600111.4K142 F659 K708 S737 R740K142-E661 IonicContact NZ-OE1 3.77Å; K142-E661 PolarHBondContact NZ-OE1 3.23Å; K142-E661 IonicContact NZ-OE2 2.78Å; K142-E661 PolarHBondContact NZ-OE2 3.05Å; F659-E661 WeakPolarHBondContact CE1-O 3.48Å; F659-E661 HydrophobicContact CE2-CB 3.83Å; F659-E661 HydrophobicContact CE2-CG 4.48Å; F659-E661 HydrophobicContact CZ-CB 3.83Å; F659-E661 WeakPolarHBondContact CZ-O 3.39Å; E661-K708 VanDerWaalsContact C-NZ 3.25Å; E661-K708 VanDerWaalsContact O-CD 3.25Å; E661-K708 WeakPolarHBondContact O-CD 3.38Å; E661-K708 PolarHBondContact O-NZ 3.43Å; E661-S737 PolarHBondContact OE1-OG 3.19Å; E661-S737 WeakPolarHBondContact OE2-CB 3.48Å; E661-S737 PolarHBondContact OE2-OG 3.34Å; E661-R740 IonicContact OE1-NH1 3.72Å; E661-R740 PolarHBondContact OE1-NH1 2.96Å; E661-R740 VanDerWaalsContact OE1-NH1 3.09Å
662N73.9Confident81Confident146 Ų14667.1 Ų67.178%0.78133%0.332SS*.  trans-84.6124.8173.3-67.4-28.2000108.3K708N662-K708 PolarHBondContact OD1-NZ 3.46Å
663A72.4Confident80.7Confident14 Ų1467.3 Ų67.312%0.11633%0.333CS..  trans-109.6145.4169.600000108.6F659 H710 V733F659-A663 HydrophobicContact CE1-CB 4.49Å; F659-A663 HydrophobicContact CZ-CB 4.49Å; A663-H710 HydrophobicContact CB-CB 3.99Å; A663-V733 HydrophobicContact CB-CG2 4Å
664N63.4Low80.3Confident135 Ų13568.2 Ų68.272%0.72234%0.341SS*.SBendtrans-83.2-25.2-173.9-69.2-41.5000112.6
665E62.2Low80Confident145 Ų14570.5 Ų70.568%0.67836%0.36SS*.  trans-110.9123-176.8-65.4-169.9169.300110.7P667 H710E665-P667 WeakPolarHBondContact O-CD 3.4Å; E665-H710 PolarHBondContact O-CD2 3.33Å
666M63.3Low80Confident146 Ų14670.9 Ų70.972%0.71936%0.362SS*.  trans-75123.2164-78.3-143.8-61.400108.7
667P64.7Low79.9Confident30 Ų3071.5 Ų71.520%0.19537%0.365CS..  trans-63.3144.8175.425-31.5000109.9E665 L669 D713E665-P667 WeakPolarHBondContact O-CD 3.4Å; P667-L669 HydrophobicContact CG-CD2 4.25Å; P667-L669 PolarHBondContact O-N 2.95Å; P667-D713 VanDerWaalsContact CB-OD2 3.24Å; P667-D713 WeakPolarHBondContact CB-OD2 3.49Å
668K67.4Low79.8Confident207 Ų20778.5 Ų78.590%0.939%0.392SS*.  trans-71.285.7168.8-74-178-178.9176.30108.2T670K668-T670 PolarHBondContact O-N 3.46Å
669L73.7Confident79.7Confident41 Ų4182.8 Ų82.822%0.21541%0.411CS..  trans-56.8136177.2-64.8171.3000110P667 L673 L677 P709 M712P667-L669 HydrophobicContact CG-CD2 4.25Å; P667-L669 PolarHBondContact O-N 2.95Å; L669-L673 HydrophobicContact CD2-CB 4.36Å; L669-L673 HydrophobicContact CD2-CD1 4.44Å; L669-L677 HydrophobicContact CD1-CD2 3.45Å; L669-L677 VanDerWaalsContact CD1-CD2 3.45Å; L669-P709 HydrophobicContact CD1-CB 4.28Å; L669-M712 HydrophobicContact CD1-SD 4.27Å; L669-M712 HydrophobicContact CD2-CB 3.85Å; L669-M712 HydrophobicContact CD2-SD 4.37Å
670T78.1Confident79.9Confident76 Ų7682.6 Ų82.647%0.46641%0.411SS..  trans-63.2153.6169.556.10000109.7K668 Q672 L673 A674K668-T670 PolarHBondContact O-N 3.46Å; T670-Q672 PolarHBondContact O-N 3.48Å; T670-Q672 VanDerWaalsContact O-N 3.09Å; T670-L673 PolarHBondContact O-N 3.29Å; T670-A674 PolarHBondContact O-N 3.07Å
671E74.1Confident80.5Confident179 Ų17981.5 Ų81.584%0.83641%0.405SS*.Hα-helixtrans-54.9-32.5178.5-71.4-168.6156.400112.4L673 A674 A675E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.37Å; E671-A674 PolarHBondContact O-N 3.39Å; E671-A675 PolarHBondContact O-N 3.13Å
672Q83.9Confident81.1Confident120 Ų12085.3 Ų85.356%0.56142%0.423SS*.Hα-helixtrans-62.5-31.4176.5-66.1-179.8-10.100113.9T670 P676T670-Q672 PolarHBondContact O-N 3.48Å; T670-Q672 VanDerWaalsContact O-N 3.09Å; Q672-P676 WeakPolarHBondContact O-CD 3.4Å; Q672-P676 WeakPolarHBondContact O-CG 3.42Å
673L88.8Confident82Confident4 Ų479.2 Ų79.22%0.02139%0.392CS..Hα-helixtrans-95.5-27177.6-65.7178.9000112.2Q649 A652 L669 T670 E671 P676 L677 M712 F716Q649-L673 HydrophobicContact CG-CD2 4.39Å; A652-L673 HydrophobicContact CB-CD2 4.07Å; L669-L673 HydrophobicContact CD2-CB 4.36Å; L669-L673 HydrophobicContact CD2-CD1 4.44Å; T670-L673 PolarHBondContact O-N 3.29Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.37Å; L673-P676 WeakPolarHBondContact O-CD 3.48Å; L673-L677 WeakPolarHBondContact O-CB 3.44Å; L673-L677 PolarHBondContact O-N 3.21Å; L673-M712 HydrophobicContact CB-CE 4.27Å; L673-F716 HydrophobicContact CD1-CB 3.99Å; L673-F716 HydrophobicContact CD1-CD1 4.49Å; L673-F716 HydrophobicContact CD1-CG 4.13Å; L673-F716 HydrophobicContact CD2-CB 4.43Å; L673-F716 HydrophobicContact CD2-CD2 3.87Å; L673-F716 HydrophobicContact CD2-CE2 4.38Å; L673-F716 HydrophobicContact CD2-CG 4.19Å
674A89.8Confident83.1Confident19 Ų1978.6 Ų78.616%0.15739%0.386CS..Hα-helixtrans-67.2-37.3178.100000112.5T670 E671 L677 R678T670-A674 PolarHBondContact O-N 3.07Å; E671-A674 PolarHBondContact O-N 3.39Å; A674-L677 PolarHBondContact O-N 3Å; A674-R678 WeakPolarHBondContact O-CG 3.49Å; A674-R678 PolarHBondContact O-N 2.89Å
675A91Very high84.6Confident48 Ų4875.7 Ų75.740%0.39737%0.367SS..Hα-helixtrans-65.2-50.9179.500000113.2E671 L677 R678 Q679E671-A675 PolarHBondContact O-N 3.13Å; A675-L677 VanDerWaalsContact C-N 3.29Å; A675-L677 PolarHBondContact O-N 3.33Å; A675-R678 PolarHBondContact O-N 3.14Å; A675-Q679 PolarHBondContact O-N 3.42Å; A675-Q679 VanDerWaalsContact O-N 3.11Å
676P93.6Very high86.1Confident8 Ų875.3 Ų75.35%0.05236%0.36CS..Hα-helixtrans-59.7-38174.3-24.433.6000113.2L645 L653 Q672 L673 R678 Q679 M680L645-P676 HydrophobicContact CD1-CB 4.32Å; L645-P676 HydrophobicContact CD2-CB 3.99Å; L645-P676 HydrophobicContact CD2-CG 3.57Å; L653-P676 HydrophobicContact CD1-CB 4.38Å; L653-P676 HydrophobicContact CD2-CB 4.07Å; Q672-P676 WeakPolarHBondContact O-CD 3.4Å; Q672-P676 WeakPolarHBondContact O-CG 3.42Å; L673-P676 WeakPolarHBondContact O-CD 3.48Å; P676-R678 PolarHBondContact O-N 3.07Å; P676-Q679 PolarHBondContact O-N 3.08Å; P676-M680 PolarHBondContact O-N 3.15Å
677L93.3Very high87.7Confident13 Ų1368.5 Ų68.57%0.06833%0.326CS..Hα-helixtrans-61.3-44.1175.9179.764000111.9L669 L673 A674 A675 M680 Q681 P709 M712L669-L677 HydrophobicContact CD1-CD2 3.45Å; L669-L677 VanDerWaalsContact CD1-CD2 3.45Å; L673-L677 WeakPolarHBondContact O-CB 3.44Å; L673-L677 PolarHBondContact O-N 3.21Å; A674-L677 PolarHBondContact O-N 3Å; A675-L677 VanDerWaalsContact C-N 3.29Å; A675-L677 PolarHBondContact O-N 3.33Å; L677-M680 HydrophobicContact CD1-CE 3.59Å; L677-M680 HydrophobicContact CD1-SD 4.47Å; L677-M680 PolarHBondContact O-N 3.31Å; L677-Q681 VanDerWaalsContact O-CG 3.3Å; L677-Q681 WeakPolarHBondContact O-CG 3.47Å; L677-Q681 PolarHBondContact O-N 2.86Å; L677-P709 HydrophobicContact CD1-CB 4.05Å; L677-P709 HydrophobicContact CD2-CB 3.67Å; L677-P709 HydrophobicContact CD2-CG 4.11Å; L677-M712 HydrophobicContact CB-CE 4.21Å; L677-M712 HydrophobicContact CB-SD 4.23Å; L677-M712 HydrophobicContact CD1-SD 3.93Å; L677-M712 HydrophobicContact CD2-SD 4.09Å; L677-M712 HydrophobicContact CG-SD 4.31Å
678R92.3Very high89.1Confident165 Ų16567.2 Ų67.262%0.62332%0.318SS*.Hα-helixtrans-61.8-44.4176.5-74.6175.7-172.8165.44.3111.7A674 A675 P676 M680 Q681 E682A674-R678 WeakPolarHBondContact O-CG 3.49Å; A674-R678 PolarHBondContact O-N 2.89Å; A675-R678 PolarHBondContact O-N 3.14Å; P676-R678 PolarHBondContact O-N 3.07Å; R678-M680 PolarHBondContact O-N 3.12Å; R678-Q681 PolarHBondContact O-N 3.47Å; R678-E682 WeakPolarHBondContact O-CG 3.5Å; R678-E682 PolarHBondContact O-N 3.28Å
679Q93.3Very high90.4Very high93 Ų9363.9 Ų63.944%0.43530%0.304SS..Hα-helixtrans-62.8-40.8177.9-68.2178.9-0.700112.3L641 A675 P676 E682 C683L641-Q679 HydrophobicContact CD1-CB 3.68Å; A675-Q679 PolarHBondContact O-N 3.42Å; A675-Q679 VanDerWaalsContact O-N 3.11Å; P676-Q679 PolarHBondContact O-N 3.08Å; Q679-E682 PolarHBondContact O-N 2.89Å; Q679-C683 PolarHBondContact O-N 3.47Å; Q679-C683 PolarHBondContact O-SG 3.17Å
680M95.1Very high91.4Very high1 Ų162.7 Ų62.71%0.00530%0.298CS..Hα-helixtrans-60.7-46.1172.6179.1-156.180.300111.2L632 M636 L653 C656 F657 P676 L677 R678 E682 C683 A684 F707L632-M680 HydrophobicContact CD2-CG 4.28Å; M636-M680 HydrophobicContact CE-CB 4.03Å; M636-M680 HydrophobicContact CE-CG 3.89Å; M636-M680 HydrophobicContact SD-CB 4.36Å; M636-M680 HydrophobicContact SD-CG 3.79Å; L653-M680 HydrophobicContact CD1-CB 4.06Å; L653-M680 HydrophobicContact CD1-CG 4.43Å; L653-M680 HydrophobicContact CD1-SD 3.83Å; L653-M680 HydrophobicContact CG-SD 4.49Å; C656-M680 HydrophobicContact CB-CE 4.49Å; C656-M680 HydrophobicContact CB-SD 4.16Å; F657-M680 HydrophobicContact CE2-CG 4.27Å; F657-M680 HydrophobicContact CE2-SD 3.62Å; F657-M680 HydrophobicContact CZ-CG 4.15Å; F657-M680 HydrophobicContact CZ-SD 3.98Å; P676-M680 PolarHBondContact O-N 3.15Å; L677-M680 HydrophobicContact CD1-CE 3.59Å; L677-M680 HydrophobicContact CD1-SD 4.47Å; L677-M680 PolarHBondContact O-N 3.31Å; R678-M680 PolarHBondContact O-N 3.12Å; M680-E682 VanDerWaalsContact C-N 3.34Å; M680-E682 PolarHBondContact O-N 3.14Å; M680-C683 WeakPolarHBondContact O-CB 3.41Å; M680-C683 PolarHBondContact O-N 3.15Å; M680-A684 WeakPolarHBondContact O-CB 3.36Å; M680-A684 PolarHBondContact O-N 2.91Å; M680-F707 HydrophobicContact CE-CB 3.77Å; M680-F707 HydrophobicContact CE-CG 4.27Å
681Q94.1Very high92.2Very high70 Ų7059.3 Ų59.333%0.32728%0.278SS..Hα-helixtrans-62.5-39.2178-73.1173.2-1900112.1L677 R678 A684 K685 L704L677-Q681 VanDerWaalsContact O-CG 3.3Å; L677-Q681 WeakPolarHBondContact O-CG 3.47Å; L677-Q681 PolarHBondContact O-N 2.86Å; R678-Q681 PolarHBondContact O-N 3.47Å; Q681-A684 PolarHBondContact O-N 3.24Å; Q681-K685 VanDerWaalsContact O-CG 3.29Å; Q681-K685 WeakPolarHBondContact O-CG 3.12Å; Q681-K685 PolarHBondContact O-N 3.36Å; Q681-L704 HydrophobicContact CB-CD2 4.26Å; Q681-L704 HydrophobicContact CG-CD2 4.45Å
682E93.9Very high93.1Very high131 Ų13153.1 Ų53.161%0.61226%0.257SS*.Hα-helixtrans-63.2-41.5174.1-73.4174.6-178.400112.2R678 Q679 M680 K685 R686R678-E682 WeakPolarHBondContact O-CG 3.5Å; R678-E682 PolarHBondContact O-N 3.28Å; Q679-E682 PolarHBondContact O-N 2.89Å; M680-E682 VanDerWaalsContact C-N 3.34Å; M680-E682 PolarHBondContact O-N 3.14Å; E682-K685 PolarHBondContact O-N 2.96Å; E682-R686 PolarHBondContact O-N 3.46Å; E682-R686 VanDerWaalsContact O-N 3.08Å
683C94.3Very high93.6Very high19 Ų1951.4 Ų51.413%0.12825%0.252CS..Hα-helixtrans-62.1-45173.2-67.80000111.5L632 M636 Q679 M680 K685 R686 I687L632-C683 HydrophobicContact CD1-CB 3.6Å; M636-C683 HydrophobicContact CG-CB 4.45Å; Q679-C683 PolarHBondContact O-N 3.47Å; Q679-C683 PolarHBondContact O-SG 3.17Å; M680-C683 WeakPolarHBondContact O-CB 3.41Å; M680-C683 PolarHBondContact O-N 3.15Å; C683-K685 PolarHBondContact O-N 3.44Å; C683-R686 WeakPolarHBondContact O-CB 3.31Å; C683-R686 PolarHBondContact O-N 2.84Å; C683-I687 PolarHBondContact O-N 3.33Å; C683-I687 VanDerWaalsContact O-N 3.11Å
684A95.1Very high93.9Very high0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-61.3-43.2177.200000111.9L632 M680 Q681 R686 I687 A688 Y703 L704 F707L632-A684 HydrophobicContact CD1-CB 4.12Å; L632-A684 HydrophobicContact CD2-CB 3.83Å; M680-A684 WeakPolarHBondContact O-CB 3.36Å; M680-A684 PolarHBondContact O-N 2.91Å; Q681-A684 PolarHBondContact O-N 3.24Å; A684-R686 VanDerWaalsContact C-N 3.3Å; A684-R686 PolarHBondContact O-N 3.42Å; A684-I687 PolarHBondContact O-N 3.11Å; A684-I687 VanDerWaalsContact O-N 3.16Å; A684-A688 PolarHBondContact O-N 3.47Å; A684-Y703 HydrophobicContact CB-CD1 4.31Å; A684-Y703 HydrophobicContact CB-CE1 3.87Å; A684-Y703 WeakPolarHBondContact O-CE1 3.44Å; A684-L704 HydrophobicContact CB-CD2 3.62Å; A684-F707 HydrophobicContact CB-CE2 4.24Å
685K94.5Very high94.1Very high74 Ų7458.2 Ų58.232%0.32228%0.278SS..Hα-helixtrans-57.9-41.9174.1-75.9-176.6176.9-173.90112.3Q681 E682 C683 I687 A688 K689 E700 L704Q681-K685 VanDerWaalsContact O-CG 3.29Å; Q681-K685 WeakPolarHBondContact O-CG 3.12Å; Q681-K685 PolarHBondContact O-N 3.36Å; E682-K685 PolarHBondContact O-N 2.96Å; C683-K685 PolarHBondContact O-N 3.44Å; K685-I687 PolarHBondContact O-N 3.3Å; K685-A688 PolarHBondContact O-N 3.31Å; K685-K689 WeakPolarHBondContact O-CB 3.48Å; K685-K689 PolarHBondContact O-N 2.94Å; K685-E700 WeakPolarHBondContact CD-OE1 3.34Å; K685-E700 WeakPolarHBondContact CE-OE1 3.31Å; K685-E700 HydrophobicContact CG-CG 4.32Å; K685-E700 VanDerWaalsContact CG-OE1 3.28Å; K685-E700 WeakPolarHBondContact CG-OE1 3.32Å; K685-L704 HydrophobicContact CD-CD1 4.3Å; K685-L704 VanDerWaalsContact CE-CD1 3.46Å; K685-L704 HydrophobicContact CG-CD1 3.77Å; K685-L704 HydrophobicContact CG-CD2 4.02Å; K685-L704 HydrophobicContact CG-CG 4.35Å
686R94.9Very high94.1Very high137 Ų13757 Ų5752%0.51726%0.264SS..Hα-helixtrans-61.4-44.2176.5-175.1-178175.8-162.6-2.4111.4E635 E682 C683 A684 K689 V690E635-R686 IonicContact OE2-NH1 2.82Å; E682-R686 PolarHBondContact O-N 3.46Å; E682-R686 VanDerWaalsContact O-N 3.08Å; C683-R686 WeakPolarHBondContact O-CB 3.31Å; C683-R686 PolarHBondContact O-N 2.84Å; A684-R686 VanDerWaalsContact C-N 3.3Å; A684-R686 PolarHBondContact O-N 3.42Å; R686-K689 PolarHBondContact O-N 3.35Å; R686-V690 VanDerWaalsContact O-CG2 3.31Å; R686-V690 WeakPolarHBondContact O-CG2 3.46Å; R686-V690 PolarHBondContact O-N 2.99Å
687I95.3Very high93.9Very high3 Ų366.4 Ų66.42%0.01531%0.308CS..Hα-helixtrans-65.8-44.4178-65.3171.8000111L606 L631 L632 E635 C683 A684 K685 K689 V690 S691 Y703L606-I687 HydrophobicContact CD1-CG1 4.23Å; L606-I687 HydrophobicContact CD1-CG2 4.48Å; L631-I687 HydrophobicContact CB-CD1 4.26Å; L631-I687 HydrophobicContact CD1-CG2 4.46Å; L632-I687 HydrophobicContact CB-CD1 3.91Å; L632-I687 HydrophobicContact CD1-CD1 3.94Å; E635-I687 HydrophobicContact CB-CD1 4.39Å; E635-I687 HydrophobicContact CG-CD1 4.14Å; C683-I687 PolarHBondContact O-N 3.33Å; C683-I687 VanDerWaalsContact O-N 3.11Å; A684-I687 PolarHBondContact O-N 3.11Å; A684-I687 VanDerWaalsContact O-N 3.16Å; K685-I687 PolarHBondContact O-N 3.3Å; I687-K689 VanDerWaalsContact C-N 3.33Å; I687-K689 PolarHBondContact O-N 3.29Å; I687-V690 PolarHBondContact O-N 3.06Å; I687-S691 WeakPolarHBondContact O-CB 3.47Å; I687-S691 PolarHBondContact O-N 3.47Å; I687-S691 PolarHBondContact O-OG 2.91Å; I687-Y703 HydrophobicContact CB-CE1 4.45Å; I687-Y703 HydrophobicContact CG2-CE1 4.47Å
688A94.8Very high93.6Very high3 Ų368.2 Ų68.23%0.02532%0.319CS..Hα-helixtrans-57.9-46.1176.300000111.3A684 K685 S691 A692 V698 E700 Y703A684-A688 PolarHBondContact O-N 3.47Å; K685-A688 PolarHBondContact O-N 3.31Å; A688-S691 WeakPolarHBondContact O-CB 3.34Å; A688-S691 PolarHBondContact O-N 2.94Å; A688-A692 PolarHBondContact O-N 3.29Å; A688-V698 HydrophobicContact CB-CG1 4.4Å; A688-E700 HydrophobicContact CB-CB 4.36Å; A688-E700 HydrophobicContact CB-CG 4.21Å; A688-Y703 HydrophobicContact CB-CD1 3.88Å; A688-Y703 HydrophobicContact CB-CE1 4.5Å; A688-Y703 HydrophobicContact CB-CG 4.43Å
689K94.3Very high93.4Very high137 Ų13764.6 Ų64.660%0.59631%0.312SS*.Hα-helixtrans-61.5-46176.5-173.1176.6-177.4174.80112.6K685 R686 I687 S691 A692 D693K685-K689 WeakPolarHBondContact O-CB 3.48Å; K685-K689 PolarHBondContact O-N 2.94Å; R686-K689 PolarHBondContact O-N 3.35Å; I687-K689 VanDerWaalsContact C-N 3.33Å; I687-K689 PolarHBondContact O-N 3.29Å; K689-S691 VanDerWaalsContact C-N 3.26Å; K689-S691 PolarHBondContact O-N 3.25Å; K689-A692 PolarHBondContact O-N 3.5Å; K689-D693 PolarHBondContact O-N 3Å
690V95.3Very high93.1Very high17 Ų1764.2 Ų64.210%0.10331%0.31CS..Hα-helixtrans-64-34.8177.4172.70000111.4V602 R605 L606 R686 I687 A694V602-V690 HydrophobicContact CG1-CG1 4.37Å; R605-V690 HydrophobicContact CB-CG1 3.93Å; L606-V690 HydrophobicContact CD2-CB 4.42Å; L606-V690 HydrophobicContact CD2-CG1 4.21Å; L606-V690 HydrophobicContact CD2-CG2 4.19Å; L606-V690 HydrophobicContact CG-CG1 4.16Å; R686-V690 VanDerWaalsContact O-CG2 3.31Å; R686-V690 WeakPolarHBondContact O-CG2 3.46Å; R686-V690 PolarHBondContact O-N 2.99Å; I687-V690 PolarHBondContact O-N 3.06Å; V690-A694 WeakPolarHBondContact O-CB 3.37Å; V690-A694 PolarHBondContact O-N 3.18Å
691S94.9Very high92.6Very high5 Ų567 Ų674%0.03532%0.323CS..Hα-helixtrans-67.6-44175.8-59.20000112I687 A688 K689 A694 K695 L696I687-S691 WeakPolarHBondContact O-CB 3.47Å; I687-S691 PolarHBondContact O-N 3.47Å; I687-S691 PolarHBondContact O-OG 2.91Å; A688-S691 WeakPolarHBondContact O-CB 3.34Å; A688-S691 PolarHBondContact O-N 2.94Å; K689-S691 VanDerWaalsContact C-N 3.26Å; K689-S691 PolarHBondContact O-N 3.25Å; S691-A694 CarbonylContact O-C 3.56Å; S691-A694 WeakPolarHBondContact O-CA 3.34Å; S691-A694 WeakPolarHBondContact O-CB 3.35Å; S691-A694 PolarHBondContact O-N 2.8Å; S691-A694 VanDerWaalsContact O-N 3.13Å; S691-K695 PolarHBondContact O-N 3.36Å; S691-L696 WeakPolarHBondContact O-CB 3.46Å; S691-L696 PolarHBondContact O-N 3.42Å; S691-L696 VanDerWaalsContact O-N 3.07Å
692A93.6Very high92.2Very high49 Ų4967.7 Ų67.741%0.40533%0.333SS..Hα-helixtrans-62.4-45.8174.500000111.9A688 K689 A694 K695A688-A692 PolarHBondContact O-N 3.29Å; K689-A692 PolarHBondContact O-N 3.5Å; A692-A694 PolarHBondContact O-N 3.14Å; A692-K695 WeakPolarHBondContact O-CA 3.34Å; A692-K695 PolarHBondContact O-N 3.39Å
693D94Very high92Very high84 Ų8462.7 Ų62.745%0.44931%0.308SS..Hα-helixtrans-59.2-30.3173.7-74.1-9.9000112.5R605 K689 K695R605-D693 IonicContact CZ-OD2 2.86Å; R605-D693 IonicContact NH1-OD2 3.95Å; R605-D693 PolarHBondContact NH1-OD2 3.32Å; R605-D693 IonicContact NH2-OD2 3.78Å; R605-D693 PolarHBondContact NH2-OD2 3.47Å; K689-D693 PolarHBondContact O-N 3Å; D693-K695 PolarHBondContact O-N 2.8Å
694A94.2Very high91.7Very high1 Ų162.9 Ų62.91%0.00831%0.308CS..THydrogen-bonded Turntrans-793.1175.700000113.4C598 R601 V602 V690 S691 A692C598-A694 PolarHBondContact SG-O 3.47Å; R601-A694 HydrophobicContact CB-CB 4.31Å; R601-A694 HydrophobicContact CG-CB 3.93Å; V602-A694 HydrophobicContact CG2-CB 3.47Å; V602-A694 VanDerWaalsContact CG2-CB 3.47Å; V690-A694 WeakPolarHBondContact O-CB 3.37Å; V690-A694 PolarHBondContact O-N 3.18Å; S691-A694 CarbonylContact O-C 3.56Å; S691-A694 WeakPolarHBondContact O-CA 3.34Å; S691-A694 WeakPolarHBondContact O-CB 3.35Å; S691-A694 PolarHBondContact O-N 2.8Å; S691-A694 VanDerWaalsContact O-N 3.13Å; A692-A694 PolarHBondContact O-N 3.14Å
695K93.8Very high91.3Very high165 Ų16567.2 Ų67.272%0.71733%0.331SS*.THydrogen-bonded Turntrans69.625-178.1-49.2180175.4-175.40114.5S691 A692 D693S691-K695 PolarHBondContact O-N 3.36Å; A692-K695 WeakPolarHBondContact O-CA 3.34Å; A692-K695 PolarHBondContact O-N 3.39Å; D693-K695 PolarHBondContact O-N 2.8Å
696L91.8Very high91.1Very high21 Ų2169 Ų6911%0.1134%0.341CS..  trans-79.1142.6165.6-66.7172.6000109.5Y313 E595 C598 R599 V602 S691 V698Y313-L696 VanDerWaalsContact OH-CD1 3.3Å; Y313-L696 WeakPolarHBondContact OH-CD1 3.36Å; E595-L696 HydrophobicContact CG-CD2 4.04Å; C598-L696 HydrophobicContact CB-CD2 3.4Å; C598-L696 HydrophobicContact CB-CG 3.79Å; R599-L696 HydrophobicContact CG-CD1 4.11Å; R599-L696 HydrophobicContact CG-CD2 4.19Å; V602-L696 HydrophobicContact CG2-CD1 3.88Å; S691-L696 WeakPolarHBondContact O-CB 3.46Å; S691-L696 PolarHBondContact O-N 3.42Å; S691-L696 VanDerWaalsContact O-N 3.07Å; L696-V698 HydrophobicContact CB-CG2 3.87Å; L696-V698 PolarHBondContact O-N 2.84Å
697E88.9Confident90.9Very high206 Ų20663 Ų6396%0.96332%0.319SS*.  trans-77.173.1173.6-65.2-175.4174.900109.6
698V86.6Confident90.7Very high51 Ų5164.3 Ų64.331%0.30932%0.324SS..  trans-113.5118.4177.2-178.60000108.7A688 L696 Y703A688-V698 HydrophobicContact CB-CG1 4.4Å; L696-V698 HydrophobicContact CB-CG2 3.87Å; L696-V698 PolarHBondContact O-N 2.84Å; V698-Y703 HydrophobicContact CG1-CG 4.42Å
699D88.3Confident90.6Very high89 Ų8964.9 Ų64.948%0.47633%0.327SS..  trans-84.8125.5167.5173.860.6000109.5E701 T702 Y703D699-E701 VanDerWaalsContact C-N 3.3Å; D699-E701 PolarHBondContact O-N 3.49Å; D699-T702 PolarHBondContact O-N 2.86Å; D699-T702 VanDerWaalsContact OD2-CB 3.28Å; D699-T702 WeakPolarHBondContact OD2-CB 3.48Å; D699-T702 PolarHBondContact OD2-N 3.31Å; D699-T702 PolarHBondContact OD2-OG1 2.86Å; D699-Y703 WeakPolarHBondContact O-CB 3.32Å; D699-Y703 PolarHBondContact O-N 3.5Å
700E87.3Confident90.4Very high85 Ų8559.8 Ų59.840%0.39731%0.306SS..Hα-helixtrans-59.6-42.2-175.7-177.4-178.4147.200111.4K685 A688 Y703 L704K685-E700 WeakPolarHBondContact CD-OE1 3.34Å; K685-E700 WeakPolarHBondContact CE-OE1 3.31Å; K685-E700 HydrophobicContact CG-CG 4.32Å; K685-E700 VanDerWaalsContact CG-OE1 3.28Å; K685-E700 WeakPolarHBondContact CG-OE1 3.32Å; A688-E700 HydrophobicContact CB-CB 4.36Å; A688-E700 HydrophobicContact CB-CG 4.21Å; E700-Y703 PolarHBondContact O-N 3.05Å; E700-L704 HydrophobicContact CG-CD1 4.08Å; E700-L704 VanDerWaalsContact O-CG 3.31Å; E700-L704 WeakPolarHBondContact O-CG 3.41Å; E700-L704 PolarHBondContact O-N 2.81Å
701E84.1Confident90.3Very high59 Ų5959 Ų5928%0.27630%0.301SS..Hα-helixtrans-67.3-46.3-178.5-167.8-173140.600111K430 A431 D699 Y703 L704 N705K430-E701 WeakPolarHBondContact CB-OE1 3.36Å; K430-E701 WeakPolarHBondContact O-CG 3.49Å; K430-E701 VanDerWaalsContact O-OE1 3.05Å; A431-E701 WeakPolarHBondContact CA-OE2 3.36Å; D699-E701 VanDerWaalsContact C-N 3.3Å; D699-E701 PolarHBondContact O-N 3.49Å; E701-Y703 VanDerWaalsContact C-N 3.31Å; E701-Y703 PolarHBondContact O-N 3.09Å; E701-L704 PolarHBondContact O-N 3.14Å; E701-N705 WeakPolarHBondContact O-CB 3.46Å; E701-N705 PolarHBondContact O-N 3.35Å; E701-N705 PolarHBondContact O-ND2 3.22Å; E701-N705 VanDerWaalsContact O-ND2 3.16Å
702T86.6Confident90.2Very high86 Ų8658.8 Ų58.853%0.52830%0.299SS..Hα-helixtrans-60.4-41.3176.7-58.90000111.5D699 N705 Q706D699-T702 PolarHBondContact O-N 2.86Å; D699-T702 VanDerWaalsContact OD2-CB 3.28Å; D699-T702 WeakPolarHBondContact OD2-CB 3.48Å; D699-T702 PolarHBondContact OD2-N 3.31Å; D699-T702 PolarHBondContact OD2-OG1 2.86Å; T702-N705 PolarHBondContact O-N 3.26Å; T702-Q706 WeakPolarHBondContact O-CG 3.47Å; T702-Q706 PolarHBondContact O-N 2.69Å
703Y89.7Confident90.1Very high25 Ų2557.9 Ų57.910%0.09829%0.288CS..Hα-helixtrans-64.8-46177.4-176.9-108.7000111.8D629 A684 I687 A688 V698 D699 E700 E701 N705 Q706 F707D629-Y703 WeakPolarHBondContact OD2-CE2 3.43Å; D629-Y703 PolarHBondContact OD2-OH 3.38Å; A684-Y703 HydrophobicContact CB-CD1 4.31Å; A684-Y703 HydrophobicContact CB-CE1 3.87Å; A684-Y703 WeakPolarHBondContact O-CE1 3.44Å; I687-Y703 HydrophobicContact CB-CE1 4.45Å; I687-Y703 HydrophobicContact CG2-CE1 4.47Å; A688-Y703 HydrophobicContact CB-CD1 3.88Å; A688-Y703 HydrophobicContact CB-CE1 4.5Å; A688-Y703 HydrophobicContact CB-CG 4.43Å; V698-Y703 HydrophobicContact CG1-CG 4.42Å; D699-Y703 WeakPolarHBondContact O-CB 3.32Å; D699-Y703 PolarHBondContact O-N 3.5Å; E700-Y703 PolarHBondContact O-N 3.05Å; E701-Y703 VanDerWaalsContact C-N 3.31Å; E701-Y703 PolarHBondContact O-N 3.09Å; Y703-N705 VanDerWaalsContact C-N 3.33Å; Y703-N705 PolarHBondContact O-N 3.05Å; Y703-Q706 WeakPolarHBondContact O-CB 3.43Å; Y703-Q706 WeakPolarHBondContact O-CG 3.14Å; Y703-Q706 PolarHBondContact O-N 2.75Å; Y703-F707 HydrophobicContact CD1-CE2 4.34Å; Y703-F707 HydrophobicContact CE1-CE2 4.06Å; Y703-F707 HydrophobicContact CE2-CE2 4.48Å; Y703-F707 HydrophobicContact CE2-CZ 4.44Å; Y703-F707 WeakPolarHBondContact O-CE2 3.48Å
704L88.6Confident90.1Very high23 Ų2353.9 Ų53.912%0.1227%0.267CS..Hα-helixtrans-63.3-38.8177.6-71.3167.6000112.8Q681 A684 K685 E700 E701 Q706 F707Q681-L704 HydrophobicContact CB-CD2 4.26Å; Q681-L704 HydrophobicContact CG-CD2 4.45Å; A684-L704 HydrophobicContact CB-CD2 3.62Å; K685-L704 HydrophobicContact CD-CD1 4.3Å; K685-L704 VanDerWaalsContact CE-CD1 3.46Å; K685-L704 HydrophobicContact CG-CD1 3.77Å; K685-L704 HydrophobicContact CG-CD2 4.02Å; K685-L704 HydrophobicContact CG-CG 4.35Å; E700-L704 HydrophobicContact CG-CD1 4.08Å; E700-L704 VanDerWaalsContact O-CG 3.31Å; E700-L704 WeakPolarHBondContact O-CG 3.41Å; E700-L704 PolarHBondContact O-N 2.81Å; E701-L704 PolarHBondContact O-N 3.14Å; L704-Q706 PolarHBondContact O-N 3.37Å; L704-F707 PolarHBondContact O-N 2.96Å; L704-F707 VanDerWaalsContact O-N 3.12Å
705N87Confident90.2Very high92 Ų9253.9 Ų53.949%0.49227%0.266SS..THydrogen-bonded Turntrans-69.1-8.7-179.9-73.8-27.7000113.7E701 T702 Y703 F707E701-N705 WeakPolarHBondContact O-CB 3.46Å; E701-N705 PolarHBondContact O-N 3.35Å; E701-N705 PolarHBondContact O-ND2 3.22Å; E701-N705 VanDerWaalsContact O-ND2 3.16Å; T702-N705 PolarHBondContact O-N 3.26Å; Y703-N705 VanDerWaalsContact C-N 3.33Å; Y703-N705 PolarHBondContact O-N 3.05Å; N705-F707 VanDerWaalsContact C-N 3.28Å
706Q89.2Confident90.3Very high110 Ų11048 Ų4851%0.51424%0.241SC..THydrogen-bonded Turntrans-68-31.6170.6-60.5179.512.100111.5T702 Y703 L704T702-Q706 WeakPolarHBondContact O-CG 3.47Å; T702-Q706 PolarHBondContact O-N 2.69Å; Y703-Q706 WeakPolarHBondContact O-CB 3.43Å; Y703-Q706 WeakPolarHBondContact O-CG 3.14Å; Y703-Q706 PolarHBondContact O-N 2.75Å; L704-Q706 PolarHBondContact O-N 3.37Å
707F91.5Very high90.4Very high13 Ų1348 Ų486%0.05724%0.244CC..SBendtrans-91.4108.5-178.1-50.8-72.1000110.2D629 L632 C656 F657 M680 A684 Y703 L704 N705 P709D629-F707 HydrophobicContact CB-CE1 3.9Å; D629-F707 HydrophobicContact CB-CZ 4.02Å; L632-F707 HydrophobicContact CD2-CD1 4.34Å; L632-F707 HydrophobicContact CD2-CD2 4.28Å; L632-F707 HydrophobicContact CD2-CE1 3.78Å; L632-F707 HydrophobicContact CD2-CE2 3.71Å; L632-F707 HydrophobicContact CD2-CZ 3.43Å; L632-F707 VanDerWaalsContact CD2-CZ 3.43Å; C656-F707 HydrophobicContact CB-CB 4.34Å; C656-F707 WeakPolarHBondContact O-CA 3.39Å; F657-F707 AromaticContact CD1-CD1 3.84Å; F657-F707 HydrophobicContact CD1-CD1 3.84Å; F657-F707 AromaticContact CD1-CE1 3.59Å; F657-F707 HydrophobicContact CD1-CE1 3.59Å; F657-F707 AromaticContact CE1-CD1 3.93Å; F657-F707 HydrophobicContact CE1-CD1 3.93Å; F657-F707 AromaticContact CE1-CE1 3.56Å; F657-F707 HydrophobicContact CE1-CE1 3.56Å; F657-F707 HydrophobicContact CE1-CZ 4.43Å; F657-F707 HydrophobicContact CG-CD1 4.2Å; F657-F707 HydrophobicContact CG-CE1 4.38Å; F657-F707 HydrophobicContact CZ-CD1 4.34Å; F657-F707 HydrophobicContact CZ-CE1 4.33Å; M680-F707 HydrophobicContact CE-CB 3.77Å; M680-F707 HydrophobicContact CE-CG 4.27Å; A684-F707 HydrophobicContact CB-CE2 4.24Å; Y703-F707 HydrophobicContact CD1-CE2 4.34Å; Y703-F707 HydrophobicContact CE1-CE2 4.06Å; Y703-F707 HydrophobicContact CE2-CE2 4.48Å; Y703-F707 HydrophobicContact CE2-CZ 4.44Å; Y703-F707 WeakPolarHBondContact O-CE2 3.48Å; L704-F707 PolarHBondContact O-N 2.96Å; L704-F707 VanDerWaalsContact O-N 3.12Å; N705-F707 VanDerWaalsContact C-N 3.28Å; F707-P709 WeakPolarHBondContact O-CD 3.39Å
708K91Very high90.7Very high29 Ų2938.1 Ų38.113%0.12620%0.198CC..  trans-104.6110.4-168.9-70.6-174.3177.2-177.80111.7C656 F659 Q660 E661 N662 H710C656-K708 PolarHBondContact O-N 3.01Å; C656-K708 VanDerWaalsContact O-N 3.07Å; F659-K708 HydrophobicContact CD1-CB 3.72Å; F659-K708 HydrophobicContact CD1-CD 4.17Å; F659-K708 HydrophobicContact CE1-CB 4.41Å; F659-K708 HydrophobicContact CE1-CD 4.36Å; Q660-K708 PolarHBondContact O-NZ 2.92Å; E661-K708 VanDerWaalsContact C-NZ 3.25Å; E661-K708 VanDerWaalsContact O-CD 3.25Å; E661-K708 WeakPolarHBondContact O-CD 3.38Å; E661-K708 PolarHBondContact O-NZ 3.43Å; N662-K708 PolarHBondContact OD1-NZ 3.46Å; K708-H710 PolarHBondContact O-N 2.97Å; K708-H710 VanDerWaalsContact O-N 3.15Å
709P91.4Very high91.2Very high15 Ų1536 Ų3610%0.09719%0.185CC..G310 helixtrans-79.35.3-176.133.5-37.4000114.8L669 L677 F707 L711 M712L669-P709 HydrophobicContact CD1-CB 4.28Å; L677-P709 HydrophobicContact CD1-CB 4.05Å; L677-P709 HydrophobicContact CD2-CB 3.67Å; L677-P709 HydrophobicContact CD2-CG 4.11Å; F707-P709 WeakPolarHBondContact O-CD 3.39Å; P709-L711 PolarHBondContact O-N 2.83Å; P709-L711 VanDerWaalsContact O-N 3.1Å; P709-M712 HydrophobicContact CB-CG 4.09Å; P709-M712 HydrophobicContact CB-SD 3.57Å; P709-M712 VanDerWaalsContact CB-SD 3.57Å; P709-M712 WeakPolarHBondContact O-CB 3.15Å; P709-M712 WeakPolarHBondContact O-CG 3.22Å; P709-M712 PolarHBondContact O-N 2.9Å; P709-M712 VanDerWaalsContact O-N 3.1Å
710H91Very high91.5Very high30 Ų3036.1 Ų36.114%0.13919%0.186CC..G310 helixtrans-64.5-18-168.2-5884000115.1F659 A663 E665 K708F659-H710 HydrophobicContact CD1-CB 4.23Å; F659-H710 HydrophobicContact CE1-CB 3.8Å; A663-H710 HydrophobicContact CB-CB 3.99Å; E665-H710 PolarHBondContact O-CD2 3.33Å; K708-H710 PolarHBondContact O-N 2.97Å; K708-H710 VanDerWaalsContact O-N 3.15Å
711L92.4Very high91.9Very high1 Ų134.3 Ų34.31%0.00519%0.19CC..G310 helixtrans-113.89.5177-65.7-174.9000113.3F659 P709 D713 V714 V715 T731 V733 C741F659-L711 HydrophobicContact CB-CD1 4.37Å; F659-L711 HydrophobicContact CD1-CG 4.32Å; F659-L711 HydrophobicContact CD2-CD1 3.28Å; F659-L711 HydrophobicContact CD2-CG 3.94Å; F659-L711 HydrophobicContact CE1-CG 4.45Å; F659-L711 HydrophobicContact CE2-CD1 3.58Å; F659-L711 HydrophobicContact CE2-CG 4.05Å; F659-L711 HydrophobicContact CG-CD1 3.81Å; F659-L711 HydrophobicContact CG-CG 4.07Å; F659-L711 HydrophobicContact CZ-CD1 4.33Å; F659-L711 HydrophobicContact CZ-CG 4.3Å; P709-L711 PolarHBondContact O-N 2.83Å; P709-L711 VanDerWaalsContact O-N 3.1Å; L711-D713 PolarHBondContact O-N 3.25Å; L711-V714 HydrophobicContact CB-CB 4.44Å; L711-V714 HydrophobicContact CD2-CB 4.21Å; L711-V714 HydrophobicContact CD2-CG1 4.38Å; L711-V714 HydrophobicContact CD2-CG2 3.93Å; L711-V714 PolarHBondContact O-N 3.44Å; L711-V715 HydrophobicContact CB-CG2 4.48Å; L711-V715 WeakPolarHBondContact O-CB 3.45Å; L711-V715 VanDerWaalsContact O-CG2 3.27Å; L711-V715 WeakPolarHBondContact O-CG2 3.34Å; L711-V715 PolarHBondContact O-N 2.92Å; L711-T731 HydrophobicContact CD2-CG2 4.09Å; L711-V733 HydrophobicContact CD2-CB 4.39Å; L711-V733 HydrophobicContact CD2-CG2 4.21Å; L711-C741 HydrophobicContact CD1-CB 3.9Å
712M93.3Very high92.3Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-61.4-44-177.3-72.1-176.871.400112.4A652 L653 C656 L669 L673 L677 P709 F716A652-M712 WeakPolarHBondContact CB-O 3.39Å; L653-M712 HydrophobicContact CD1-CE 4.05Å; C656-M712 WeakPolarHBondContact SG-CG 3.42Å; C656-M712 PolarHBondContact SG-SD 3.29Å; L669-M712 HydrophobicContact CD1-SD 4.27Å; L669-M712 HydrophobicContact CD2-CB 3.85Å; L669-M712 HydrophobicContact CD2-SD 4.37Å; L673-M712 HydrophobicContact CB-CE 4.27Å; L677-M712 HydrophobicContact CB-CE 4.21Å; L677-M712 HydrophobicContact CB-SD 4.23Å; L677-M712 HydrophobicContact CD1-SD 3.93Å; L677-M712 HydrophobicContact CD2-SD 4.09Å; L677-M712 HydrophobicContact CG-SD 4.31Å; P709-M712 HydrophobicContact CB-CG 4.09Å; P709-M712 HydrophobicContact CB-SD 3.57Å; P709-M712 VanDerWaalsContact CB-SD 3.57Å; P709-M712 WeakPolarHBondContact O-CB 3.15Å; P709-M712 WeakPolarHBondContact O-CG 3.22Å; P709-M712 PolarHBondContact O-N 2.9Å; P709-M712 VanDerWaalsContact O-N 3.1Å; M712-F716 VanDerWaalsContact O-CB 3.24Å; M712-F716 WeakPolarHBondContact O-CB 3.3Å; M712-F716 PolarHBondContact O-N 3.04Å
713D92.3Very high92.7Very high31 Ų3130 Ų3017%0.16617%0.169CC..Hα-helixtrans-68.7-40.7178.160.3-25.9000112.3P667 L711 F716 A717 M730P667-D713 VanDerWaalsContact CB-OD2 3.24Å; P667-D713 WeakPolarHBondContact CB-OD2 3.49Å; L711-D713 PolarHBondContact O-N 3.25Å; D713-F716 PolarHBondContact O-N 2.88Å; D713-A717 WeakPolarHBondContact O-CB 3.33Å; D713-A717 PolarHBondContact O-N 3.43Å; D713-M730 HydrophobicContact CB-CE 4.03Å
714V93.6Very high92.9Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-57.3-50173.2175.50000110.5L711 A717 W718 I727 M730 T731 I738L711-V714 HydrophobicContact CB-CB 4.44Å; L711-V714 HydrophobicContact CD2-CB 4.21Å; L711-V714 HydrophobicContact CD2-CG1 4.38Å; L711-V714 HydrophobicContact CD2-CG2 3.93Å; L711-V714 PolarHBondContact O-N 3.44Å; V714-A717 PolarHBondContact O-N 3.08Å; V714-W718 WeakPolarHBondContact O-CB 3.45Å; V714-W718 PolarHBondContact O-N 3.41Å; V714-I727 HydrophobicContact CG1-CB 3.96Å; V714-I727 HydrophobicContact CG1-CD1 4.12Å; V714-I727 HydrophobicContact CG1-CG1 4.39Å; V714-M730 HydrophobicContact CG2-CB 4.13Å; V714-T731 HydrophobicContact CG2-CG2 3.92Å; V714-I738 HydrophobicContact CG1-CG2 4.22Å
715V95.6Very high93Very high1 Ų129.1 Ų29.11%0.00617%0.171CC..Hα-helixtrans-68.4-38.9-180173.40000111.4T651 L711 W718 A719 M742 L745T651-V715 HydrophobicContact CG2-CG1 3.85Å; L711-V715 HydrophobicContact CB-CG2 4.48Å; L711-V715 WeakPolarHBondContact O-CB 3.45Å; L711-V715 VanDerWaalsContact O-CG2 3.27Å; L711-V715 WeakPolarHBondContact O-CG2 3.34Å; L711-V715 PolarHBondContact O-N 2.92Å; V715-W718 PolarHBondContact O-N 3.13Å; V715-A719 WeakPolarHBondContact O-CB 3.41Å; V715-A719 PolarHBondContact O-N 3.39Å; V715-M742 HydrophobicContact CB-CE 4.33Å; V715-M742 HydrophobicContact CG2-CE 3.73Å; V715-M742 HydrophobicContact CG2-SD 3.9Å; V715-L745 HydrophobicContact CG1-CD2 3.57Å; V715-L745 HydrophobicContact CG2-CD2 4.31Å
716F95.5Very high93.3Very high41 Ų4129.8 Ų29.818%0.1817%0.171CC..Hα-helixtrans-62.2-47175-175.3-100.6000111.8E648 Q649 A652 L673 M712 D713 W718 A719 N720E648-F716 HydrophobicContact CB-CD2 3.7Å; E648-F716 HydrophobicContact CB-CE2 3.59Å; Q649-F716 HydrophobicContact CG-CE2 3.91Å; A652-F716 HydrophobicContact CB-CB 3.87Å; A652-F716 HydrophobicContact CB-CD2 4.32Å; L673-F716 HydrophobicContact CD1-CB 3.99Å; L673-F716 HydrophobicContact CD1-CD1 4.49Å; L673-F716 HydrophobicContact CD1-CG 4.13Å; L673-F716 HydrophobicContact CD2-CB 4.43Å; L673-F716 HydrophobicContact CD2-CD2 3.87Å; L673-F716 HydrophobicContact CD2-CE2 4.38Å; L673-F716 HydrophobicContact CD2-CG 4.19Å; M712-F716 VanDerWaalsContact O-CB 3.24Å; M712-F716 WeakPolarHBondContact O-CB 3.3Å; M712-F716 PolarHBondContact O-N 3.04Å; D713-F716 PolarHBondContact O-N 2.88Å; F716-W718 VanDerWaalsContact C-N 3.33Å; F716-W718 PolarHBondContact O-N 2.91Å; F716-A719 PolarHBondContact O-N 3.01Å; F716-N720 WeakPolarHBondContact CD1-ND2 3.45Å; F716-N720 VanDerWaalsContact CE1-ND2 3.26Å; F716-N720 WeakPolarHBondContact CE1-ND2 3.31Å; F716-N720 WeakPolarHBondContact CZ-ND2 3.27Å; F716-N720 PolarHBondContact O-N 3.37Å; F716-N720 VanDerWaalsContact O-N 3.1Å; F716-N720 PolarHBondContact O-ND2 3.42Å
717A94.9Very high93.4Very high20 Ų2024.6 Ų24.617%0.16515%0.146CC..Hα-helixtrans-62-42.417700000111.5D713 V714 N720 G721 A722 I727 M730D713-A717 WeakPolarHBondContact O-CB 3.33Å; D713-A717 PolarHBondContact O-N 3.43Å; V714-A717 PolarHBondContact O-N 3.08Å; A717-N720 PolarHBondContact O-N 3.29Å; A717-G721 PolarHBondContact O-N 2.98Å; A717-A722 HydrophobicContact CB-CB 4.09Å; A717-A722 WeakPolarHBondContact O-CB 3.43Å; A717-A722 PolarHBondContact O-N 3.12Å; A717-I727 HydrophobicContact CB-CG2 4.1Å; A717-M730 HydrophobicContact CB-CE 4.12Å; A717-M730 HydrophobicContact CB-SD 3.83Å
718W95.9Very high93.4Very high0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-60.4-46.1175.1-177.6-109.5000112.4V714 V715 F716 N720 G721 A722 F724 I727 M742 I775 R777 D778 V780V714-W718 WeakPolarHBondContact O-CB 3.45Å; V714-W718 PolarHBondContact O-N 3.41Å; V715-W718 PolarHBondContact O-N 3.13Å; F716-W718 VanDerWaalsContact C-N 3.33Å; F716-W718 PolarHBondContact O-N 2.91Å; W718-N720 PolarHBondContact O-N 3.49Å; W718-G721 PolarHBondContact O-N 3.39Å; W718-A722 WeakPolarHBondContact CZ3-O 2.98Å; W718-F724 HydrophobicContact CH2-CB 4.36Å; W718-F724 HydrophobicContact CH2-CD2 4.49Å; W718-F724 HydrophobicContact CZ3-CB 3.92Å; W718-F724 HydrophobicContact CZ3-CD2 4.27Å; W718-I727 HydrophobicContact CB-CD1 4.2Å; W718-I727 HydrophobicContact CB-CG2 4.34Å; W718-I727 HydrophobicContact CD2-CD1 4.1Å; W718-I727 HydrophobicContact CE3-CD1 3.7Å; W718-I727 HydrophobicContact CE3-CG1 4.46Å; W718-I727 HydrophobicContact CG-CD1 4.34Å; W718-I727 HydrophobicContact CZ3-CD1 4.44Å; W718-M742 HydrophobicContact CB-CE 3.63Å; W718-M742 HydrophobicContact CD2-CE 4.43Å; W718-M742 HydrophobicContact CG-CE 3.59Å; W718-M742 HydrophobicContact CG-SD 4.46Å; W718-I775 PolarHBondContact NE1-O 3.21Å; W718-R777 VanDerWaalsContact CE3-NH2 3.33Å; W718-R777 HydrophobicContact CH2-CG 3.98Å; W718-R777 HydrophobicContact CZ2-CG 3.43Å; W718-R777 VanDerWaalsContact CZ2-CG 3.43Å; W718-R777 WeakPolarHBondContact CZ2-O 3.42Å; W718-R777 PolarHBondContact O-NH2 3.28Å; W718-D778 HydrophobicContact CH2-CB 4.12Å; W718-V780 HydrophobicContact CH2-CG2 3.93Å; W718-V780 HydrophobicContact CZ2-CB 4.24Å; W718-V780 HydrophobicContact CZ2-CG2 3.45Å; W718-V780 VanDerWaalsContact CZ2-CG2 3.45Å
719A95.8Very high93.4Very high6 Ų632.4 Ų32.45%0.0518%0.183CC..Hα-helixtrans-64-25.9177.600000112.9E648 V715 F716 G721 K774E648-A719 HydrophobicContact CB-CB 3.97Å; E648-A719 HydrophobicContact CG-CB 3.9Å; V715-A719 WeakPolarHBondContact O-CB 3.41Å; V715-A719 PolarHBondContact O-N 3.39Å; F716-A719 PolarHBondContact O-N 3.01Å; A719-G721 VanDerWaalsContact C-N 3.3Å; A719-K774 HydrophobicContact CB-CB 4.42Å
720N95.4Very high93.3Very high92 Ų9235.7 Ų35.749%0.49220%0.198SC..THydrogen-bonded Turntrans-845.6174.3-78.4-75.5000114.3F716 A717 W718F716-N720 WeakPolarHBondContact CD1-ND2 3.45Å; F716-N720 VanDerWaalsContact CE1-ND2 3.26Å; F716-N720 WeakPolarHBondContact CE1-ND2 3.31Å; F716-N720 WeakPolarHBondContact CZ-ND2 3.27Å; F716-N720 PolarHBondContact O-N 3.37Å; F716-N720 VanDerWaalsContact O-N 3.1Å; F716-N720 PolarHBondContact O-ND2 3.42Å; A717-N720 PolarHBondContact O-N 3.29Å; W718-N720 PolarHBondContact O-N 3.49Å
721G94.2Very high93.2Very high46 Ų4635.5 Ų35.547%0.47420%0.199SC..THydrogen-bonded Turntrans94.58.617600000115.6A717 W718 A719 R777A717-G721 PolarHBondContact O-N 2.98Å; W718-G721 PolarHBondContact O-N 3.39Å; A719-G721 VanDerWaalsContact C-N 3.3Å; G721-R777 VanDerWaalsContact CA-NH2 3.26Å
722A94.6Very high93Very high18 Ų1839.3 Ų39.315%0.14922%0.22CC..  trans-60.4147.117500000112A717 W718 I727 R777A717-A722 HydrophobicContact CB-CB 4.09Å; A717-A722 WeakPolarHBondContact O-CB 3.43Å; A717-A722 PolarHBondContact O-N 3.12Å; W718-A722 WeakPolarHBondContact CZ3-O 2.98Å; A722-I727 HydrophobicContact CB-CG2 3.89Å; A722-R777 PolarHBondContact O-NH1 3.02Å; A722-R777 PolarHBondContact O-NH2 2.86Å
723T93.4Very high92.8Very high36 Ų3640 Ų4022%0.22122%0.224CC..  trans-75.6157.9-179.773.70000110.9E180 A725 Q726 I727E180-T723 WeakPolarHBondContact OE2-CB 3Å; E180-T723 WeakPolarHBondContact OE2-CG2 3.45Å; T723-A725 PolarHBondContact O-N 3.08Å; T723-Q726 WeakPolarHBondContact O-CB 3.29Å; T723-Q726 PolarHBondContact O-N 3.45Å; T723-Q726 WeakPolarHBondContact OG1-CG 3.44Å; T723-I727 PolarHBondContact O-N 3.39Å
724F93.4Very high92.8Very high2 Ų240.4 Ų40.41%0.00922%0.224CC..Hα-helixtrans-62.8-36.4-176-170.2-100.5000111.1L184 L206 W718 Q726 I727 C728 E735 I738 I739 I779 V780L184-F724 HydrophobicContact CD1-CD1 3.65Å; L184-F724 HydrophobicContact CD1-CE1 4.12Å; L184-F724 HydrophobicContact CD2-CD1 3.98Å; L184-F724 HydrophobicContact CG-CD1 4.49Å; L206-F724 HydrophobicContact CD2-CE1 3.96Å; L206-F724 HydrophobicContact CD2-CZ 4.21Å; W718-F724 HydrophobicContact CH2-CB 4.36Å; W718-F724 HydrophobicContact CH2-CD2 4.49Å; W718-F724 HydrophobicContact CZ3-CB 3.92Å; W718-F724 HydrophobicContact CZ3-CD2 4.27Å; F724-Q726 VanDerWaalsContact C-N 3.29Å; F724-Q726 PolarHBondContact O-N 3.12Å; F724-I727 HydrophobicContact CD2-CD1 3.81Å; F724-I727 HydrophobicContact CD2-CG1 4.23Å; F724-I727 HydrophobicContact CE2-CD1 4.12Å; F724-I727 WeakPolarHBondContact O-CG1 3.08Å; F724-I727 PolarHBondContact O-N 3.33Å; F724-C728 WeakPolarHBondContact CE1-SG 3.48Å; F724-C728 PolarHBondContact O-N 3.17Å; F724-C728 VanDerWaalsContact O-N 3.1Å; F724-C728 PolarHBondContact O-SG 2.77Å; F724-E735 HydrophobicContact CE1-CB 4.06Å; F724-E735 HydrophobicContact CE1-CG 4.28Å; F724-E735 HydrophobicContact CZ-CB 4.18Å; F724-I738 HydrophobicContact CE2-CG2 4.24Å; F724-I739 HydrophobicContact CE2-CD1 4.3Å; F724-I739 HydrophobicContact CE2-CG1 3.8Å; F724-I739 HydrophobicContact CZ-CD1 3.98Å; F724-I739 HydrophobicContact CZ-CG1 3.72Å; F724-I779 HydrophobicContact CB-CG2 3.78Å; F724-I779 HydrophobicContact CD1-CG2 3.8Å; F724-I779 HydrophobicContact CD2-CG2 3.78Å; F724-I779 HydrophobicContact CE1-CG2 4.33Å; F724-I779 HydrophobicContact CE2-CG2 4.33Å; F724-I779 HydrophobicContact CG-CG2 3.49Å; F724-I779 VanDerWaalsContact CG-CG2 3.49Å; F724-V780 HydrophobicContact CD2-CG2 3.91Å; F724-V780 HydrophobicContact CE2-CG2 4.02Å
725A91.9Very high92.7Very high29 Ų2942.2 Ų42.224%0.2423%0.233CC..Hα-helixtrans-62.4-31.1174.600000113.7L184 T723 K729L184-A725 HydrophobicContact CD2-CB 3.75Å; T723-A725 PolarHBondContact O-N 3.08Å; A725-K729 WeakPolarHBondContact O-CG 3.34Å
726Q92.4Very high92.5Very high106 Ų10642.3 Ų42.350%0.49523%0.234SC..Hα-helixtrans-72.3-47.9176.7-72169.6-18.600111T723 F724 C728 K729T723-Q726 WeakPolarHBondContact O-CB 3.29Å; T723-Q726 PolarHBondContact O-N 3.45Å; T723-Q726 WeakPolarHBondContact OG1-CG 3.44Å; F724-Q726 VanDerWaalsContact C-N 3.29Å; F724-Q726 PolarHBondContact O-N 3.12Å; Q726-C728 VanDerWaalsContact C-N 3.3Å; Q726-C728 PolarHBondContact O-N 2.81Å; Q726-K729 WeakPolarHBondContact O-CB 3.5Å; Q726-K729 PolarHBondContact O-N 2.98Å; Q726-K729 VanDerWaalsContact O-N 3.1Å
727I92.9Very high92.3Very high0 Ų040.5 Ų40.50%023%0.227CC..Hα-helixtrans-68.1-30.6-176.768.7167.5000112.2V714 A717 W718 A722 T723 F724 K729 M730 I738 M742V714-I727 HydrophobicContact CG1-CB 3.96Å; V714-I727 HydrophobicContact CG1-CD1 4.12Å; V714-I727 HydrophobicContact CG1-CG1 4.39Å; A717-I727 HydrophobicContact CB-CG2 4.1Å; W718-I727 HydrophobicContact CB-CD1 4.2Å; W718-I727 HydrophobicContact CB-CG2 4.34Å; W718-I727 HydrophobicContact CD2-CD1 4.1Å; W718-I727 HydrophobicContact CE3-CD1 3.7Å; W718-I727 HydrophobicContact CE3-CG1 4.46Å; W718-I727 HydrophobicContact CG-CD1 4.34Å; W718-I727 HydrophobicContact CZ3-CD1 4.44Å; A722-I727 HydrophobicContact CB-CG2 3.89Å; T723-I727 PolarHBondContact O-N 3.39Å; F724-I727 HydrophobicContact CD2-CD1 3.81Å; F724-I727 HydrophobicContact CD2-CG1 4.23Å; F724-I727 HydrophobicContact CE2-CD1 4.12Å; F724-I727 WeakPolarHBondContact O-CG1 3.08Å; F724-I727 PolarHBondContact O-N 3.33Å; I727-K729 PolarHBondContact O-N 3.43Å; I727-M730 HydrophobicContact CG2-SD 4.43Å; I727-M730 WeakPolarHBondContact O-CB 3.16Å; I727-M730 PolarHBondContact O-N 2.95Å; I727-M730 VanDerWaalsContact O-N 3.12Å; I727-I738 HydrophobicContact CD1-CG2 4.27Å; I727-M742 HydrophobicContact CD1-CE 4.23Å
728C91.3Very high92.3Very high26 Ų2639.6 Ų39.618%0.17622%0.219CC..THydrogen-bonded Turntrans-64.9-22.9174.3-67.50000113F724 Q726 M730 E735F724-C728 WeakPolarHBondContact CE1-SG 3.48Å; F724-C728 PolarHBondContact O-N 3.17Å; F724-C728 VanDerWaalsContact O-N 3.1Å; F724-C728 PolarHBondContact O-SG 2.77Å; Q726-C728 VanDerWaalsContact C-N 3.3Å; Q726-C728 PolarHBondContact O-N 2.81Å; C728-M730 VanDerWaalsContact C-N 3.34Å; C728-E735 HydrophobicContact CB-CG 4.4Å
729K90.3Very high92.2Very high180 Ų18039.7 Ų39.778%0.78322%0.219SC*.THydrogen-bonded Turntrans-82.7-12.6176.4-64.9174.7-173.2178.20113.2A725 Q726 I727A725-K729 WeakPolarHBondContact O-CG 3.34Å; Q726-K729 WeakPolarHBondContact O-CB 3.5Å; Q726-K729 PolarHBondContact O-N 2.98Å; Q726-K729 VanDerWaalsContact O-N 3.1Å; I727-K729 PolarHBondContact O-N 3.43Å
730M89.6Confident92Very high84 Ų8444 Ų4441%0.41423%0.234SC..SBendtrans-83-16.6-177.6-63.2175.562.400112.9D713 V714 A717 I727 C728D713-M730 HydrophobicContact CB-CE 4.03Å; V714-M730 HydrophobicContact CG2-CB 4.13Å; A717-M730 HydrophobicContact CB-CE 4.12Å; A717-M730 HydrophobicContact CB-SD 3.83Å; I727-M730 HydrophobicContact CG2-SD 4.43Å; I727-M730 WeakPolarHBondContact O-CB 3.16Å; I727-M730 PolarHBondContact O-N 2.95Å; I727-M730 VanDerWaalsContact O-N 3.12Å; C728-M730 VanDerWaalsContact C-N 3.34Å
731T88.9Confident92Very high27 Ų2739.9 Ų39.917%0.16621%0.213CC..  trans-140.9157-173.2-173.70000111.6L711 V714 V733 I738L711-T731 HydrophobicContact CD2-CG2 4.09Å; V714-T731 HydrophobicContact CG2-CG2 3.92Å; T731-V733 VanDerWaalsContact C-N 3.3Å; T731-V733 HydrophobicContact CG2-CB 4.03Å; T731-V733 WeakPolarHBondContact OG1-CG2 3.44Å; T731-V733 PolarHBondContact OG1-N 3.14Å; T731-I738 HydrophobicContact CG2-CD1 3.71Å; T731-I738 HydrophobicContact CG2-CG1 4.43Å
732D87.4Confident92Very high80 Ų8037.7 Ų37.743%0.42819%0.19SC..SBendtrans-870.1173.270-32.8000113.1
733V90.5Very high92Very high15 Ų1541.1 Ų41.19%0.09120%0.199CC..SBendtrans-72.7135.1178.8177.40000110.7F659 A663 L711 T731 I738F659-V733 HydrophobicContact CE2-CG1 4.15Å; F659-V733 HydrophobicContact CE2-CG2 4.33Å; F659-V733 HydrophobicContact CZ-CG1 4.49Å; F659-V733 HydrophobicContact CZ-CG2 3.89Å; A663-V733 HydrophobicContact CB-CG2 4Å; L711-V733 HydrophobicContact CD2-CB 4.39Å; L711-V733 HydrophobicContact CD2-CG2 4.21Å; T731-V733 VanDerWaalsContact C-N 3.3Å; T731-V733 HydrophobicContact CG2-CB 4.03Å; T731-V733 WeakPolarHBondContact OG1-CG2 3.44Å; T731-V733 PolarHBondContact OG1-N 3.14Å; V733-I738 HydrophobicContact CB-CG1 4.37Å; V733-I738 HydrophobicContact CG1-CG1 4.03Å
734F90.7Very high92Very high40 Ų4042.5 Ų42.518%0.17520%0.2CC..  trans-57144.1176.5-70-81.7000113K142 K143 E146 G736 S737 I738K142-F734 HydrophobicContact CB-CE2 3.97Å; K142-F734 HydrophobicContact CB-CZ 4Å; K142-F734 HydrophobicContact CD-CD2 3.85Å; K142-F734 HydrophobicContact CD-CE2 3.86Å; K143-F734 HydrophobicContact CG-CZ 4.01Å; E146-F734 WeakPolarHBondContact OE1-CE1 3.42Å; F734-G736 PolarHBondContact O-N 3.4Å; F734-S737 WeakPolarHBondContact O-CA 3.31Å; F734-S737 VanDerWaalsContact O-CB 3.27Å; F734-S737 WeakPolarHBondContact O-CB 3.42Å; F734-S737 PolarHBondContact O-N 3.41Å; F734-I738 PolarHBondContact O-N 2.95Å; F734-I738 VanDerWaalsContact O-N 3.08Å
735E92.4Very high92.1Very high37 Ų3742.4 Ų42.417%0.17320%0.2CC..Hα-helixtrans-57.7-43.2-174.9-61.791.2152.400112.6Q186 L206 F724 C728 S737 I738 I739Q186-E735 PolarHBondContact NE2-OE2 2.87Å; L206-E735 HydrophobicContact CD2-CB 3.94Å; L206-E735 HydrophobicContact CG-CB 4.29Å; F724-E735 HydrophobicContact CE1-CB 4.06Å; F724-E735 HydrophobicContact CE1-CG 4.28Å; F724-E735 HydrophobicContact CZ-CB 4.18Å; C728-E735 HydrophobicContact CB-CG 4.4Å; E735-S737 VanDerWaalsContact C-N 3.28Å; E735-S737 PolarHBondContact O-N 2.71Å; E735-I738 WeakPolarHBondContact O-CB 3.46Å; E735-I738 PolarHBondContact O-N 3.24Å; E735-I739 PolarHBondContact O-N 3.32Å
736G91.9Very high92.3Very high3 Ų342.1 Ų42.13%0.03119%0.193CC..Hα-helixtrans-66.3-28.2175.900000113.8G204 L205 F734 R740G204-G736 VanDerWaalsContact O-CA 3.32Å; G204-G736 WeakPolarHBondContact O-CA 3.44Å; G204-G736 PolarHBondContact O-N 2.99Å; L205-G736 WeakPolarHBondContact O-CA 3.21Å; F734-G736 PolarHBondContact O-N 3.4Å; G736-R740 WeakPolarHBondContact O-CB 3.4Å; G736-R740 PolarHBondContact O-N 2.9Å
737S91.6Very high92.5Very high4 Ų441.2 Ų41.23%0.02819%0.189CC..Hα-helixtrans-72-38.4173.1-65.40000111.1K142 E661 F734 E735 R740 C741K142-S737 PolarHBondContact NZ-OG 2.73Å; K142-S737 VanDerWaalsContact NZ-OG 3.12Å; E661-S737 PolarHBondContact OE1-OG 3.19Å; E661-S737 WeakPolarHBondContact OE2-CB 3.48Å; E661-S737 PolarHBondContact OE2-OG 3.34Å; F734-S737 WeakPolarHBondContact O-CA 3.31Å; F734-S737 VanDerWaalsContact O-CB 3.27Å; F734-S737 WeakPolarHBondContact O-CB 3.42Å; F734-S737 PolarHBondContact O-N 3.41Å; E735-S737 VanDerWaalsContact C-N 3.28Å; E735-S737 PolarHBondContact O-N 2.71Å; S737-R740 PolarHBondContact O-N 3.17Å; S737-C741 PolarHBondContact O-N 3.42Å
738I93.8Very high92.7Very high1 Ų141.2 Ų41.21%0.00519%0.189CC..Hα-helixtrans-61.2-48.6172.8-59.8173000109.9V714 F724 I727 T731 V733 F734 E735 R740 C741 M742V714-I738 HydrophobicContact CG1-CG2 4.22Å; F724-I738 HydrophobicContact CE2-CG2 4.24Å; I727-I738 HydrophobicContact CD1-CG2 4.27Å; T731-I738 HydrophobicContact CG2-CD1 3.71Å; T731-I738 HydrophobicContact CG2-CG1 4.43Å; V733-I738 HydrophobicContact CB-CG1 4.37Å; V733-I738 HydrophobicContact CG1-CG1 4.03Å; F734-I738 PolarHBondContact O-N 2.95Å; F734-I738 VanDerWaalsContact O-N 3.08Å; E735-I738 WeakPolarHBondContact O-CB 3.46Å; E735-I738 PolarHBondContact O-N 3.24Å; I738-R740 VanDerWaalsContact C-N 3.33Å; I738-R740 PolarHBondContact O-N 2.87Å; I738-C741 VanDerWaalsContact O-CB 3.32Å; I738-C741 WeakPolarHBondContact O-CB 3.41Å; I738-C741 PolarHBondContact O-N 2.98Å; I738-C741 VanDerWaalsContact O-N 3.14Å; I738-M742 HydrophobicContact CG2-CE 4.45Å; I738-M742 HydrophobicContact CG2-CG 4.45Å; I738-M742 WeakPolarHBondContact O-CG 3.44Å; I738-M742 PolarHBondContact O-N 2.87Å
739I93.8Very high93Very high1 Ų140 Ų401%0.00518%0.181CC..Hα-helixtrans-60.6-42.2177.9-67.7-175.9000111.6L206 P207 F724 E735 C741 M742 R743 I779 V780L206-I739 HydrophobicContact CD2-CD1 3.29Å; L206-I739 HydrophobicContact CD2-CG1 4.33Å; P207-I739 HydrophobicContact CG-CG2 3.83Å; F724-I739 HydrophobicContact CE2-CD1 4.3Å; F724-I739 HydrophobicContact CE2-CG1 3.8Å; F724-I739 HydrophobicContact CZ-CD1 3.98Å; F724-I739 HydrophobicContact CZ-CG1 3.72Å; E735-I739 PolarHBondContact O-N 3.32Å; I739-C741 VanDerWaalsContact C-N 3.32Å; I739-C741 PolarHBondContact O-N 2.94Å; I739-M742 PolarHBondContact O-N 2.63Å; I739-R743 HydrophobicContact CG2-CG 4.28Å; I739-R743 WeakPolarHBondContact O-CG 3.4Å; I739-R743 PolarHBondContact O-N 3.48Å; I739-I779 HydrophobicContact CD1-CG1 4.23Å; I739-V780 HydrophobicContact CG1-CG2 4.4Å; I739-V780 HydrophobicContact CG2-CG1 4.31Å; I739-V780 WeakPolarHBondContact CG2-O 3.46Å
740R92.1Very high93.3Very high98 Ų9836.9 Ų36.937%0.3716%0.164SC..Hα-helixtrans-60.8-42.5176.1-171.3-171.8-58.8121.515.6111.6G203 E661 G736 S737 I738 R743 R744G203-R740 PolarHBondContact O-NH2 3.08Å; E661-R740 IonicContact OE1-NH1 3.72Å; E661-R740 PolarHBondContact OE1-NH1 2.96Å; E661-R740 VanDerWaalsContact OE1-NH1 3.09Å; G736-R740 WeakPolarHBondContact O-CB 3.4Å; G736-R740 PolarHBondContact O-N 2.9Å; S737-R740 PolarHBondContact O-N 3.17Å; I738-R740 VanDerWaalsContact C-N 3.33Å; I738-R740 PolarHBondContact O-N 2.87Å; R740-R743 PolarHBondContact O-N 3.33Å; R740-R744 WeakPolarHBondContact O-CG 3.43Å; R740-R744 PolarHBondContact O-N 3.44Å
741C94.4Very high93.7Very high5 Ų533.9 Ų33.93%0.03415%0.149CC..Hα-helixtrans-58.3-50.3175.2-176.60000110.8F659 L711 S737 I738 I739 R743 R744 L745F659-C741 HydrophobicContact CD2-CB 4.49Å; L711-C741 HydrophobicContact CD1-CB 3.9Å; S737-C741 PolarHBondContact O-N 3.42Å; I738-C741 VanDerWaalsContact O-CB 3.32Å; I738-C741 WeakPolarHBondContact O-CB 3.41Å; I738-C741 PolarHBondContact O-N 2.98Å; I738-C741 VanDerWaalsContact O-N 3.14Å; I739-C741 VanDerWaalsContact C-N 3.32Å; I739-C741 PolarHBondContact O-N 2.94Å; C741-R743 PolarHBondContact O-N 3.12Å; C741-R744 PolarHBondContact O-N 3.05Å; C741-L745 WeakPolarHBondContact O-CB 3.46Å; C741-L745 PolarHBondContact O-N 2.88Å
742M94.9Very high94.1Very high0 Ų032.6 Ų32.60%014%0.141CC..Hα-helixtrans-62.7-40.1180-66.1-71.1-167.200113.4V715 W718 I727 I738 I739 L745 E746 V780V715-M742 HydrophobicContact CB-CE 4.33Å; V715-M742 HydrophobicContact CG2-CE 3.73Å; V715-M742 HydrophobicContact CG2-SD 3.9Å; W718-M742 HydrophobicContact CB-CE 3.63Å; W718-M742 HydrophobicContact CD2-CE 4.43Å; W718-M742 HydrophobicContact CG-CE 3.59Å; W718-M742 HydrophobicContact CG-SD 4.46Å; I727-M742 HydrophobicContact CD1-CE 4.23Å; I738-M742 HydrophobicContact CG2-CE 4.45Å; I738-M742 HydrophobicContact CG2-CG 4.45Å; I738-M742 WeakPolarHBondContact O-CG 3.44Å; I738-M742 PolarHBondContact O-N 2.87Å; I739-M742 PolarHBondContact O-N 2.63Å; M742-L745 WeakPolarHBondContact O-CB 3.47Å; M742-L745 PolarHBondContact O-N 3.22Å; M742-L745 HydrophobicContact SD-CD2 4.48Å; M742-E746 PolarHBondContact O-N 3.05Å; M742-V780 HydrophobicContact CB-CG1 3.39Å; M742-V780 HydrophobicContact CG-CG1 4.04Å
743R93.6Very high94.5Very high89 Ų8929.6 Ų29.634%0.33613%0.126SC..Hα-helixtrans-65-41.9176-72.7-177179.8-160.4-3.7111.9I739 R740 C741 E746 E747 V780 F781 A782I739-R743 HydrophobicContact CG2-CG 4.28Å; I739-R743 WeakPolarHBondContact O-CG 3.4Å; I739-R743 PolarHBondContact O-N 3.48Å; R740-R743 PolarHBondContact O-N 3.33Å; C741-R743 PolarHBondContact O-N 3.12Å; R743-E746 PolarHBondContact O-N 2.97Å; R743-E747 PolarHBondContact O-N 2.72Å; R743-V780 PolarHBondContact NE-O 3.43Å; R743-V780 PolarHBondContact NH2-O 3.18Å; R743-F781 HydrophobicContact CG-CD1 4.44Å; R743-F781 HydrophobicContact CG-CE1 4.09Å; R743-F781 HydrophobicContact CG-CZ 4.46Å; R743-A782 PolarHBondContact NH2-O 3.4Å; R743-A782 VanDerWaalsContact NH2-O 3.09Å
744R94.4Very high94.8Very high66 Ų6631.4 Ų31.425%0.24914%0.14CC..Hα-helixtrans-68.3-35.3173.8-71.1-177.473.3178.64.3112.2V658 Q660 R740 C741 E746 E747 V748V658-R744 HydrophobicContact CB-CB 3.95Å; V658-R744 HydrophobicContact CG1-CB 4.05Å; Q660-R744 VanDerWaalsContact CD-NH1 3.3Å; R740-R744 WeakPolarHBondContact O-CG 3.43Å; R740-R744 PolarHBondContact O-N 3.44Å; C741-R744 PolarHBondContact O-N 3.05Å; R744-E746 VanDerWaalsContact C-N 3.3Å; R744-E746 PolarHBondContact O-N 3.28Å; R744-E747 WeakPolarHBondContact O-CB 3.38Å; R744-E747 PolarHBondContact O-N 3.43Å; R744-V748 PolarHBondContact O-N 3.41Å
745L96.4Very high95Very high0 Ų029.6 Ų29.60%013%0.132CC..Hα-helixtrans-62.3-40.5175.5-17959.1000111.3T651 L654 V658 V715 C741 M742 E747 V748 L749 I775T651-L745 HydrophobicContact CG2-CD2 3.85Å; L654-L745 HydrophobicContact CB-CD1 3.49Å; L654-L745 VanDerWaalsContact CB-CD1 3.49Å; V658-L745 HydrophobicContact CG2-CB 4.07Å; V658-L745 HydrophobicContact CG2-CD1 4.41Å; V715-L745 HydrophobicContact CG1-CD2 3.57Å; V715-L745 HydrophobicContact CG2-CD2 4.31Å; C741-L745 WeakPolarHBondContact O-CB 3.46Å; C741-L745 PolarHBondContact O-N 2.88Å; M742-L745 WeakPolarHBondContact O-CB 3.47Å; M742-L745 PolarHBondContact O-N 3.22Å; M742-L745 HydrophobicContact SD-CD2 4.48Å; L745-E747 VanDerWaalsContact C-N 3.34Å; L745-V748 PolarHBondContact O-N 2.86Å; L745-L749 HydrophobicContact CG-CD1 4.31Å; L745-L749 WeakPolarHBondContact O-CG 3.47Å; L745-L749 PolarHBondContact O-N 3.16Å; L745-I775 HydrophobicContact CD2-CD1 4.37Å; L745-I775 HydrophobicContact CG-CD1 4.2Å
746E96.1Very high95.2Very high22 Ų2227.9 Ų27.910%0.10313%0.125CC..Hα-helixtrans-62.1-41.4174.6-168.4-97.5-164.900112.4M742 R743 R744 L749 R750 I772 I775 F781M742-E746 PolarHBondContact O-N 3.05Å; R743-E746 PolarHBondContact O-N 2.97Å; R744-E746 VanDerWaalsContact C-N 3.3Å; R744-E746 PolarHBondContact O-N 3.28Å; E746-L749 PolarHBondContact O-N 3.4Å; E746-R750 WeakPolarHBondContact O-CG 3.19Å; E746-R750 PolarHBondContact O-N 2.83Å; E746-R750 IonicContact OE1-CZ 2.76Å; E746-R750 IonicContact OE1-NE 3.29Å; E746-R750 PolarHBondContact OE1-NE 3.16Å; E746-R750 IonicContact OE1-NH2 2.92Å; E746-R750 PolarHBondContact OE1-NH2 3.21Å; E746-R750 IonicContact OE2-NE 3.68Å; E746-R750 PolarHBondContact OE2-NE 3.39Å; E746-R750 VanDerWaalsContact OE2-NE 3.1Å; E746-I772 HydrophobicContact CG-CG2 3.97Å; E746-I775 HydrophobicContact CB-CD1 3.84Å; E746-I775 HydrophobicContact CG-CD1 4.35Å; E746-F781 HydrophobicContact CB-CE1 3.95Å; E746-F781 HydrophobicContact CB-CZ 3.73Å; E746-F781 HydrophobicContact CG-CE1 3.97Å; E746-F781 HydrophobicContact CG-CZ 3.98Å
747E95.4Very high95.3Very high88 Ų8834.5 Ų34.541%0.41115%0.152SC..Hα-helixtrans-61.9-44.4174.2-172.2179.1-177.100111.8S627 R743 R744 L745 L749 R750 Q751S627-E747 VanDerWaalsContact OG-CD 3.26Å; S627-E747 PolarHBondContact OG-OE1 2.8Å; S627-E747 VanDerWaalsContact OG-OE1 3.13Å; R743-E747 PolarHBondContact O-N 2.72Å; R744-E747 WeakPolarHBondContact O-CB 3.38Å; R744-E747 PolarHBondContact O-N 3.43Å; L745-E747 VanDerWaalsContact C-N 3.34Å; E747-L749 PolarHBondContact O-N 2.77Å; E747-R750 WeakPolarHBondContact O-CB 3.3Å; E747-R750 PolarHBondContact O-N 3.03Å; E747-Q751 WeakPolarHBondContact O-CG 3.44Å; E747-Q751 PolarHBondContact O-N 3.42Å
748V97Very high95.2Very high0 Ų036.3 Ų36.30%017%0.168CC..Hα-helixtrans-62.2-42.3174.11710000111.1A628 L633 L654 V658 R744 L745 R750 Q751 M752A628-V748 HydrophobicContact CB-CG1 4.37Å; A628-V748 HydrophobicContact CB-CG2 3.86Å; L633-V748 HydrophobicContact CD1-CG1 4.24Å; L654-V748 HydrophobicContact CD2-CG1 4.25Å; V658-V748 HydrophobicContact CG1-CB 4.34Å; V658-V748 HydrophobicContact CG1-CG2 3.47Å; V658-V748 VanDerWaalsContact CG1-CG2 3.47Å; R744-V748 PolarHBondContact O-N 3.41Å; L745-V748 PolarHBondContact O-N 2.86Å; V748-R750 VanDerWaalsContact C-N 3.33Å; V748-R750 PolarHBondContact O-N 3.3Å; V748-Q751 WeakPolarHBondContact O-CB 3.45Å; V748-Q751 PolarHBondContact O-N 2.88Å; V748-M752 HydrophobicContact CG1-CG 4.18Å; V748-M752 VanDerWaalsContact O-CG 3.24Å; V748-M752 WeakPolarHBondContact O-CG 3.46Å; V748-M752 PolarHBondContact O-N 3.43Å
749L97.5Very high95.2Very high0 Ų038.8 Ų38.80%018%0.181CC..Hα-helixtrans-61.7-39.1176.2-76.8163.7000112.2T651 L654 L745 E746 E747 Q751 M752 C753 F768 I772 I775T651-L749 HydrophobicContact CG2-CD1 4.25Å; L654-L749 HydrophobicContact CD1-CD2 3.54Å; L654-L749 HydrophobicContact CD1-CG 4.18Å; L745-L749 HydrophobicContact CG-CD1 4.31Å; L745-L749 WeakPolarHBondContact O-CG 3.47Å; L745-L749 PolarHBondContact O-N 3.16Å; E746-L749 PolarHBondContact O-N 3.4Å; E747-L749 PolarHBondContact O-N 2.77Å; L749-Q751 VanDerWaalsContact C-N 3.33Å; L749-Q751 PolarHBondContact O-N 2.94Å; L749-M752 PolarHBondContact O-N 3.39Å; L749-C753 PolarHBondContact O-N 3.01Å; L749-C753 PolarHBondContact O-SG 3.12Å; L749-C753 VanDerWaalsContact O-SG 3.36Å; L749-F768 HydrophobicContact CD2-CB 4.18Å; L749-F768 HydrophobicContact CD2-CD1 3.79Å; L749-F768 HydrophobicContact CD2-CG 4.4Å; L749-I772 HydrophobicContact CB-CD1 4.06Å; L749-I772 HydrophobicContact CB-CG1 3.51Å; L749-I772 HydrophobicContact CD1-CG1 4.11Å; L749-I772 HydrophobicContact CG-CG1 4.41Å; L749-I775 HydrophobicContact CD1-CD1 3.52Å; L749-I775 HydrophobicContact CD1-CG1 4.34Å
750R97.2Very high95.1Very high115 Ų11541.5 Ų41.543%0.43421%0.209SC..Hα-helixtrans-62-40.9173.7-72.3179.5-179.5-71.3-11.9112.2E746 E747 V748 C753 S754 I772E746-R750 WeakPolarHBondContact O-CG 3.19Å; E746-R750 PolarHBondContact O-N 2.83Å; E746-R750 IonicContact OE1-CZ 2.76Å; E746-R750 IonicContact OE1-NE 3.29Å; E746-R750 PolarHBondContact OE1-NE 3.16Å; E746-R750 IonicContact OE1-NH2 2.92Å; E746-R750 PolarHBondContact OE1-NH2 3.21Å; E746-R750 IonicContact OE2-NE 3.68Å; E746-R750 PolarHBondContact OE2-NE 3.39Å; E746-R750 VanDerWaalsContact OE2-NE 3.1Å; E747-R750 WeakPolarHBondContact O-CB 3.3Å; E747-R750 PolarHBondContact O-N 3.03Å; V748-R750 VanDerWaalsContact C-N 3.33Å; V748-R750 PolarHBondContact O-N 3.3Å; R750-C753 WeakPolarHBondContact O-CB 3.49Å; R750-C753 PolarHBondContact O-N 2.94Å; R750-S754 PolarHBondContact O-N 3.48Å; R750-S754 VanDerWaalsContact O-N 3.09Å; R750-S754 PolarHBondContact O-OG 3.43Å; R750-I772 HydrophobicContact CG-CD1 3.76Å
751Q97.2Very high95.2Very high20 Ų2038.9 Ų38.99%0.09320%0.202CC..Hα-helixtrans-64.6-41.8174.2-70.1173.96.700111E624 S626 S627 E747 V748 L749 C753 S754 A755E624-Q751 VanDerWaalsContact O-CB 3.3Å; E624-Q751 WeakPolarHBondContact O-CB 3.29Å; E624-Q751 WeakPolarHBondContact O-CG 3.33Å; S626-Q751 PolarHBondContact OG-NE2 3.19Å; S627-Q751 PolarHBondContact OG-NE2 3.36Å; E747-Q751 WeakPolarHBondContact O-CG 3.44Å; E747-Q751 PolarHBondContact O-N 3.42Å; V748-Q751 WeakPolarHBondContact O-CB 3.45Å; V748-Q751 PolarHBondContact O-N 2.88Å; L749-Q751 VanDerWaalsContact C-N 3.33Å; L749-Q751 PolarHBondContact O-N 2.94Å; Q751-C753 PolarHBondContact O-N 3.24Å; Q751-S754 WeakPolarHBondContact O-CB 3.35Å; Q751-S754 PolarHBondContact O-N 3.03Å; Q751-S754 VanDerWaalsContact O-N 3.17Å; Q751-A755 VanDerWaalsContact O-CB 3.32Å; Q751-A755 WeakPolarHBondContact O-CB 3.34Å; Q751-A755 PolarHBondContact O-N 3.38Å
752M97.4Very high95.2Very high1 Ų142.7 Ų42.71%0.00523%0.225CC..Hα-helixtrans-65.2-36175.6-67.2-62.1-68.100112.8I625 L633 V637 F642 L654 V748 L749 A755 A756 F768I625-M752 HydrophobicContact CD1-SD 3.86Å; I625-M752 HydrophobicContact CG1-SD 4.29Å; L633-M752 HydrophobicContact CB-SD 4.15Å; L633-M752 HydrophobicContact CD1-SD 4.16Å; L633-M752 HydrophobicContact CD2-SD 4.48Å; V637-M752 HydrophobicContact CG2-CE 3.46Å; V637-M752 VanDerWaalsContact CG2-CE 3.46Å; F642-M752 HydrophobicContact CD2-CE 4.4Å; F642-M752 HydrophobicContact CE2-CE 3.9Å; F642-M752 HydrophobicContact CZ-CE 4.26Å; L654-M752 HydrophobicContact CD1-CG 4.34Å; L654-M752 HydrophobicContact CD2-CG 4.48Å; V748-M752 HydrophobicContact CG1-CG 4.18Å; V748-M752 VanDerWaalsContact O-CG 3.24Å; V748-M752 WeakPolarHBondContact O-CG 3.46Å; V748-M752 PolarHBondContact O-N 3.43Å; L749-M752 PolarHBondContact O-N 3.39Å; M752-A755 PolarHBondContact O-N 3.31Å; M752-A756 WeakPolarHBondContact O-CB 3.49Å; M752-A756 PolarHBondContact O-N 2.85Å; M752-F768 HydrophobicContact CB-CB 4.47Å; M752-F768 HydrophobicContact CB-CD1 4.18Å; M752-F768 HydrophobicContact CB-CD2 3.71Å; M752-F768 HydrophobicContact CB-CE1 4.35Å; M752-F768 HydrophobicContact CB-CE2 3.89Å; M752-F768 HydrophobicContact CB-CG 3.87Å; M752-F768 HydrophobicContact CB-CZ 4.21Å; M752-F768 HydrophobicContact CE-CE1 4.24Å; M752-F768 HydrophobicContact CE-CE2 3.82Å; M752-F768 HydrophobicContact CE-CZ 3.52Å
753C96.9Very high95.3Very high16 Ų1650.1 Ų50.111%0.10826%0.26CS..Hα-helixtrans-60.5-46.8169.8-710000111.2L749 R750 Q751 A755 A756 K757 F768 S769L749-C753 PolarHBondContact O-N 3.01Å; L749-C753 PolarHBondContact O-SG 3.12Å; L749-C753 VanDerWaalsContact O-SG 3.36Å; R750-C753 WeakPolarHBondContact O-CB 3.49Å; R750-C753 PolarHBondContact O-N 2.94Å; Q751-C753 PolarHBondContact O-N 3.24Å; C753-A755 VanDerWaalsContact C-N 3.34Å; C753-A755 PolarHBondContact O-N 2.89Å; C753-A756 PolarHBondContact O-N 2.91Å; C753-K757 WeakPolarHBondContact O-CB 3.26Å; C753-K757 PolarHBondContact O-N 2.91Å; C753-F768 VanDerWaalsContact SG-CB 3.5Å; C753-S769 PolarHBondContact SG-N 3.05Å; C753-S769 VanDerWaalsContact SG-N 3.4Å
754S96Very high95.4Very high54 Ų5446 Ų4638%0.37825%0.245SC..Hα-helixtrans-63.9-41.3179.4-54.50000111.5R750 Q751 K757 A758R750-S754 PolarHBondContact O-N 3.48Å; R750-S754 VanDerWaalsContact O-N 3.09Å; R750-S754 PolarHBondContact O-OG 3.43Å; Q751-S754 WeakPolarHBondContact O-CB 3.35Å; Q751-S754 PolarHBondContact O-N 3.03Å; Q751-S754 VanDerWaalsContact O-N 3.17Å; S754-K757 WeakPolarHBondContact O-CB 3.26Å; S754-K757 PolarHBondContact O-N 3.09Å; S754-A758 PolarHBondContact O-N 3.3Å
755A95.3Very high95.5Very high1 Ų145.5 Ų45.51%0.00825%0.245CC..Hα-helixtrans-60.8-45.9172.800000112.8V621 E624 I625 Q751 M752 C753 K757 A758 I759V621-A755 HydrophobicContact CG1-CB 3.71Å; E624-A755 HydrophobicContact CB-CB 4.26Å; I625-A755 HydrophobicContact CD1-CB 4.4Å; I625-A755 HydrophobicContact CG1-CB 4.35Å; Q751-A755 VanDerWaalsContact O-CB 3.32Å; Q751-A755 WeakPolarHBondContact O-CB 3.34Å; Q751-A755 PolarHBondContact O-N 3.38Å; M752-A755 PolarHBondContact O-N 3.31Å; C753-A755 VanDerWaalsContact C-N 3.34Å; C753-A755 PolarHBondContact O-N 2.89Å; A755-K757 VanDerWaalsContact C-N 3.34Å; A755-K757 PolarHBondContact O-N 3.01Å; A755-A758 WeakPolarHBondContact O-CB 3.31Å; A755-A758 PolarHBondContact O-N 3.34Å; A755-I759 PolarHBondContact O-N 3.18Å
756A95.3Very high95.5Very high2 Ų250.1 Ų50.12%0.01727%0.27CS..Hα-helixtrans-64.4-38.7176.700000112.1M752 C753 A758 I759 G760 N761 L764 E765 F768M752-A756 WeakPolarHBondContact O-CB 3.49Å; M752-A756 PolarHBondContact O-N 2.85Å; C753-A756 PolarHBondContact O-N 2.91Å; A756-A758 VanDerWaalsContact C-N 3.33Å; A756-A758 PolarHBondContact O-N 3.38Å; A756-I759 WeakPolarHBondContact O-CG1 3.35Å; A756-I759 PolarHBondContact O-N 3.2Å; A756-G760 PolarHBondContact O-N 2.78Å; A756-N761 PolarHBondContact O-N 3.22Å; A756-L764 HydrophobicContact CB-CB 3.86Å; A756-E765 HydrophobicContact CB-CB 4.1Å; A756-F768 HydrophobicContact CB-CD2 4.42Å
757K94.3Very high95.6Very high141 Ų14150.8 Ų50.861%0.61327%0.272SS*.Hα-helixtrans-63.5-38174-172.6173.9-176.4171.50112.1C753 S754 A755 I759 G760C753-K757 WeakPolarHBondContact O-CB 3.26Å; C753-K757 PolarHBondContact O-N 2.91Å; S754-K757 WeakPolarHBondContact O-CB 3.26Å; S754-K757 PolarHBondContact O-N 3.09Å; A755-K757 VanDerWaalsContact C-N 3.34Å; A755-K757 PolarHBondContact O-N 3.01Å; K757-I759 VanDerWaalsContact C-N 3.26Å; K757-I759 PolarHBondContact O-N 3.1Å; K757-G760 PolarHBondContact O-N 2.77Å
758A90.9Very high95.7Very high43 Ų4346.6 Ų46.636%0.35525%0.253SS..Hα-helixtrans-64.1-27.4178.400000113.6V621 S754 A755 A756V621-A758 HydrophobicContact CG2-CB 4.47Å; S754-A758 PolarHBondContact O-N 3.3Å; A755-A758 WeakPolarHBondContact O-CB 3.31Å; A755-A758 PolarHBondContact O-N 3.34Å; A756-A758 VanDerWaalsContact C-N 3.33Å; A756-A758 PolarHBondContact O-N 3.38Å
759I93.3Very high95.7Very high53 Ų5349.3 Ų49.327%0.27227%0.272SS..THydrogen-bonded Turntrans-93.2-1.6172.760.4173.5000113.7V621 V637 F638 A755 A756 K757 N761V621-I759 HydrophobicContact CG2-CG2 3.22Å; V637-I759 HydrophobicContact CG1-CD1 3.85Å; F638-I759 HydrophobicContact CE2-CG2 4.24Å; F638-I759 HydrophobicContact CZ-CG2 3.89Å; A755-I759 PolarHBondContact O-N 3.18Å; A756-I759 WeakPolarHBondContact O-CG1 3.35Å; A756-I759 PolarHBondContact O-N 3.2Å; K757-I759 VanDerWaalsContact C-N 3.26Å; K757-I759 PolarHBondContact O-N 3.1Å; I759-N761 VanDerWaalsContact C-N 3.31Å; I759-N761 HydrophobicContact CD1-CB 3.78Å; I759-N761 HydrophobicContact CG1-CB 3.8Å; I759-N761 PolarHBondContact O-N 3.3Å
760G91.9Very high95.7Very high58 Ų5853.7 Ų53.760%0.59829%0.292SS*.THydrogen-bonded Turntrans6924.7-176.700000114.4A756 K757 T762A756-G760 PolarHBondContact O-N 2.78Å; K757-G760 PolarHBondContact O-N 2.77Å; G760-T762 PolarHBondContact O-N 3.25Å
761N93.9Very high95.6Very high43 Ų4348.2 Ų48.223%0.2327%0.272CS..  trans-95.189.6177.4-171.7-27.9000110.6A756 I759 E763 L764 E765A756-N761 PolarHBondContact O-N 3.22Å; I759-N761 VanDerWaalsContact C-N 3.31Å; I759-N761 HydrophobicContact CD1-CB 3.78Å; I759-N761 HydrophobicContact CG1-CB 3.8Å; I759-N761 PolarHBondContact O-N 3.3Å; N761-E763 VanDerWaalsContact C-N 3.27Å; N761-E763 PolarHBondContact O-N 3.35Å; N761-E763 PolarHBondContact OD1-N 3.24Å; N761-L764 HydrophobicContact CB-CB 4.36Å; N761-L764 HydrophobicContact CB-CD1 4.44Å; N761-L764 WeakPolarHBondContact ND2-CD1 3.37Å; N761-L764 PolarHBondContact O-N 3.11Å; N761-L764 PolarHBondContact OD1-N 3.49Å; N761-E765 PolarHBondContact O-N 2.93Å; N761-E765 VanDerWaalsContact O-N 3.08Å
762T94.9Very high95.6Very high84 Ų8448.1 Ų48.152%0.51527%0.271SS..Hα-helixtrans-64.4-29.2-179.1-41.60000112.9G760 E765 N766G760-T762 PolarHBondContact O-N 3.25Å; T762-E765 PolarHBondContact O-N 2.84Å; T762-N766 WeakPolarHBondContact O-CB 3.43Å; T762-N766 PolarHBondContact O-N 3.24Å; T762-N766 PolarHBondContact O-ND2 3.37Å
763E95.6Very high95.5Very high157 Ų15752.9 Ų52.973%0.73430%0.301SS*.Hα-helixtrans-67.2-45.4178.6-65-177.4175.700111.3N761 N766 K767N761-E763 VanDerWaalsContact C-N 3.27Å; N761-E763 PolarHBondContact O-N 3.35Å; N761-E763 PolarHBondContact OD1-N 3.24Å; E763-N766 PolarHBondContact O-N 3.2Å; E763-K767 WeakPolarHBondContact O-CB 3.44Å; E763-K767 PolarHBondContact O-N 2.94Å
764L95.7Very high95.4Very high3 Ų354.5 Ų54.52%0.01631%0.306CS..Hα-helixtrans-67.3-39.8174.7-73.4-178.7000111.9V637 F642 A756 N761 N766 K767 F768V637-L764 HydrophobicContact CG1-CD1 4.09Å; F642-L764 HydrophobicContact CB-CD2 3.83Å; A756-L764 HydrophobicContact CB-CB 3.86Å; N761-L764 HydrophobicContact CB-CB 4.36Å; N761-L764 HydrophobicContact CB-CD1 4.44Å; N761-L764 WeakPolarHBondContact ND2-CD1 3.37Å; N761-L764 PolarHBondContact O-N 3.11Å; N761-L764 PolarHBondContact OD1-N 3.49Å; L764-N766 VanDerWaalsContact C-N 3.34Å; L764-N766 PolarHBondContact O-N 3.32Å; L764-K767 PolarHBondContact O-N 3.16Å; L764-F768 HydrophobicContact CB-CD2 4.46Å; L764-F768 HydrophobicContact CB-CE2 4.16Å; L764-F768 WeakPolarHBondContact O-CD2 3.49Å; L764-F768 WeakPolarHBondContact O-CG 3.01Å; L764-F768 PolarHBondContact O-N 3.04Å
765E96.6Very high95.3Very high54 Ų5452 Ų5225%0.25229%0.288SS..Hα-helixtrans-56.8-49.4174.9-176.9178.4-176.600110.9A756 N761 T762 F768 S769A756-E765 HydrophobicContact CB-CB 4.1Å; N761-E765 PolarHBondContact O-N 2.93Å; N761-E765 VanDerWaalsContact O-N 3.08Å; T762-E765 PolarHBondContact O-N 2.84Å; E765-F768 PolarHBondContact O-N 2.82Å; E765-S769 VanDerWaalsContact O-CB 3.24Å; E765-S769 WeakPolarHBondContact O-CB 3.22Å; E765-S769 PolarHBondContact O-N 3.49Å
766N96.9Very high95.2Very high97 Ų9757 Ų5752%0.51931%0.31SS..Hα-helixtrans-63.2-42.6176.9-72.4-22.4000111.9T762 E763 L764 F768 S769 E770T762-N766 WeakPolarHBondContact O-CB 3.43Å; T762-N766 PolarHBondContact O-N 3.24Å; T762-N766 PolarHBondContact O-ND2 3.37Å; E763-N766 PolarHBondContact O-N 3.2Å; L764-N766 VanDerWaalsContact C-N 3.34Å; L764-N766 PolarHBondContact O-N 3.32Å; N766-F768 PolarHBondContact O-N 3.47Å; N766-S769 PolarHBondContact O-N 3.32Å; N766-E770 WeakPolarHBondContact O-CB 3.45Å; N766-E770 PolarHBondContact O-N 3.42Å
767K97.4Very high94.9Very high36 Ų3659.6 Ų59.616%0.15732%0.319CS..Hα-helixtrans-59.1-47.4178.4-174.8177-62.1-1650111.9F642 N643 L645 V647 E763 L764 G771F642-K767 PolarHBondContact O-NZ 3.41Å; N643-K767 PolarHBondContact O-NZ 3.24Å; L645-K767 PolarHBondContact O-NZ 3.2Å; V647-K767 HydrophobicContact CG2-CG 3.96Å; E763-K767 WeakPolarHBondContact O-CB 3.44Å; E763-K767 PolarHBondContact O-N 2.94Å; L764-K767 PolarHBondContact O-N 3.16Å; K767-G771 PolarHBondContact O-N 3.4Å
768F97.6Very high94.5Very high1 Ų156.8 Ų56.80%0.00431%0.311CS..Hα-helixtrans-70.1-36.8178-65-50.2000112.1F642 L654 L749 M752 C753 A756 L764 E765 N766 G771 I772F642-F768 HydrophobicContact CB-CZ 4.15Å; F642-F768 AromaticContact CD1-CE1 3.99Å; F642-F768 HydrophobicContact CD1-CE1 3.99Å; F642-F768 HydrophobicContact CD1-CZ 4.04Å; F642-F768 HydrophobicContact CD2-CZ 4.14Å; F642-F768 HydrophobicContact CE1-CE1 4.29Å; F642-F768 HydrophobicContact CE1-CZ 4.47Å; F642-F768 HydrophobicContact CG-CE1 4.28Å; F642-F768 AromaticContact CG-CZ 3.86Å; F642-F768 HydrophobicContact CG-CZ 3.86Å; L654-F768 HydrophobicContact CD1-CD1 4.27Å; L654-F768 HydrophobicContact CD1-CE1 4.06Å; L749-F768 HydrophobicContact CD2-CB 4.18Å; L749-F768 HydrophobicContact CD2-CD1 3.79Å; L749-F768 HydrophobicContact CD2-CG 4.4Å; M752-F768 HydrophobicContact CB-CB 4.47Å; M752-F768 HydrophobicContact CB-CD1 4.18Å; M752-F768 HydrophobicContact CB-CD2 3.71Å; M752-F768 HydrophobicContact CB-CE1 4.35Å; M752-F768 HydrophobicContact CB-CE2 3.89Å; M752-F768 HydrophobicContact CB-CG 3.87Å; M752-F768 HydrophobicContact CB-CZ 4.21Å; M752-F768 HydrophobicContact CE-CE1 4.24Å; M752-F768 HydrophobicContact CE-CE2 3.82Å; M752-F768 HydrophobicContact CE-CZ 3.52Å; C753-F768 VanDerWaalsContact SG-CB 3.5Å; A756-F768 HydrophobicContact CB-CD2 4.42Å; L764-F768 HydrophobicContact CB-CD2 4.46Å; L764-F768 HydrophobicContact CB-CE2 4.16Å; L764-F768 WeakPolarHBondContact O-CD2 3.49Å; L764-F768 WeakPolarHBondContact O-CG 3.01Å; L764-F768 PolarHBondContact O-N 3.04Å; E765-F768 PolarHBondContact O-N 2.82Å; N766-F768 PolarHBondContact O-N 3.47Å; F768-G771 WeakPolarHBondContact O-CA 3.23Å; F768-G771 PolarHBondContact O-N 2.96Å; F768-G771 VanDerWaalsContact O-N 3.16Å; F768-I772 WeakPolarHBondContact O-CG1 3.31Å; F768-I772 PolarHBondContact O-N 2.83Å
769S97.5Very high94.2Very high57 Ų5755 Ų5540%0.39930%0.295SS..Hα-helixtrans-64.5-40.9175.9-173.50000112.4C753 E765 N766 G771 I772 T773C753-S769 PolarHBondContact SG-N 3.05Å; C753-S769 VanDerWaalsContact SG-N 3.4Å; E765-S769 VanDerWaalsContact O-CB 3.24Å; E765-S769 WeakPolarHBondContact O-CB 3.22Å; E765-S769 PolarHBondContact O-N 3.49Å; N766-S769 PolarHBondContact O-N 3.32Å; S769-G771 VanDerWaalsContact C-N 3.31Å; S769-G771 PolarHBondContact O-N 2.92Å; S769-I772 WeakPolarHBondContact O-CB 3.35Å; S769-I772 PolarHBondContact O-N 3.13Å; S769-T773 PolarHBondContact O-N 3.33Å; S769-T773 VanDerWaalsContact O-N 3.15Å; S769-T773 PolarHBondContact O-OG1 2.77Å; S769-T773 VanDerWaalsContact O-OG1 3.09Å
770E96.9Very high93.8Very high92 Ų9252.4 Ų52.443%0.4328%0.282SS..Hα-helixtrans-64.7-38.1172-166.4-174149.700111V647 N766 I772 T773 K774V647-E770 HydrophobicContact CG1-CB 4.15Å; V647-E770 HydrophobicContact CG1-CG 4.27Å; V647-E770 HydrophobicContact CG2-CB 4.26Å; V647-E770 HydrophobicContact CG2-CG 4.35Å; N766-E770 WeakPolarHBondContact O-CB 3.45Å; N766-E770 PolarHBondContact O-N 3.42Å; E770-I772 VanDerWaalsContact C-N 3.34Å; E770-I772 PolarHBondContact O-N 2.86Å; E770-T773 WeakPolarHBondContact O-CB 3.26Å; E770-T773 PolarHBondContact O-N 3.4Å; E770-T773 VanDerWaalsContact O-N 3.09Å; E770-K774 PolarHBondContact O-N 3.43Å; E770-K774 WeakPolarHBondContact OE1-CE 3.44Å; E770-K774 IonicContact OE1-NZ 3.55Å; E770-K774 PolarHBondContact OE1-NZ 3.3Å
771G96.8Very high93.4Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-56.2-45.7172.600000112.6V647 K767 F768 S769 T773 K774 I775V647-G771 VanDerWaalsContact CG1-CA 3.42Å; V647-G771 VanDerWaalsContact CG1-N 3.3Å; K767-G771 PolarHBondContact O-N 3.4Å; F768-G771 WeakPolarHBondContact O-CA 3.23Å; F768-G771 PolarHBondContact O-N 2.96Å; F768-G771 VanDerWaalsContact O-N 3.16Å; S769-G771 VanDerWaalsContact C-N 3.31Å; S769-G771 PolarHBondContact O-N 2.92Å; G771-T773 VanDerWaalsContact C-N 3.29Å; G771-T773 PolarHBondContact O-N 3.04Å; G771-K774 PolarHBondContact O-N 3.08Å; G771-I775 WeakPolarHBondContact O-CG1 3.46Å; G771-I775 PolarHBondContact O-N 3.31Å; G771-I775 VanDerWaalsContact O-N 3.11Å
772I96.2Very high92.9Very high17 Ų1751.1 Ų51.19%0.08726%0.262CS..Hα-helixtrans-56.4-47.1173.8-65.2168.2000110E746 L749 R750 F768 S769 E770 K774 I775 K776E746-I772 HydrophobicContact CG-CG2 3.97Å; L749-I772 HydrophobicContact CB-CD1 4.06Å; L749-I772 HydrophobicContact CB-CG1 3.51Å; L749-I772 HydrophobicContact CD1-CG1 4.11Å; L749-I772 HydrophobicContact CG-CG1 4.41Å; R750-I772 HydrophobicContact CG-CD1 3.76Å; F768-I772 WeakPolarHBondContact O-CG1 3.31Å; F768-I772 PolarHBondContact O-N 2.83Å; S769-I772 WeakPolarHBondContact O-CB 3.35Å; S769-I772 PolarHBondContact O-N 3.13Å; E770-I772 VanDerWaalsContact C-N 3.34Å; E770-I772 PolarHBondContact O-N 2.86Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 3.46Å; I772-I775 WeakPolarHBondContact O-CG1 3.34Å; I772-I775 PolarHBondContact O-N 2.88Å; I772-K776 HydrophobicContact CG2-CB 4.46Å; I772-K776 WeakPolarHBondContact O-CB 3.46Å; I772-K776 PolarHBondContact O-N 3.03Å
773T95.6Very high92.1Very high102 Ų10250.6 Ų50.663%0.62627%0.266SS*.Hα-helixtrans-63.2-38.8-178.1-51.80000111.8S769 E770 G771S769-T773 PolarHBondContact O-N 3.33Å; S769-T773 VanDerWaalsContact O-N 3.15Å; S769-T773 PolarHBondContact O-OG1 2.77Å; S769-T773 VanDerWaalsContact O-OG1 3.09Å; E770-T773 WeakPolarHBondContact O-CB 3.26Å; E770-T773 PolarHBondContact O-N 3.4Å; E770-T773 VanDerWaalsContact O-N 3.09Å; G771-T773 VanDerWaalsContact C-N 3.29Å; G771-T773 PolarHBondContact O-N 3.04Å
774K95.3Very high91.3Very high50 Ų5044.8 Ų44.822%0.21724%0.243CC..Hα-helixtrans-69-34.6178.2-74.7-177178.91640113.7V647 E648 A719 E770 G771 I772V647-K774 HydrophobicContact CG1-CD 3.92Å; E648-K774 HydrophobicContact CG-CD 4.35Å; E648-K774 WeakPolarHBondContact OE1-CE 3.49Å; E648-K774 IonicContact OE1-NZ 3.9Å; E648-K774 PolarHBondContact OE1-NZ 2.88Å; A719-K774 HydrophobicContact CB-CB 4.42Å; E770-K774 PolarHBondContact O-N 3.43Å; E770-K774 WeakPolarHBondContact OE1-CE 3.44Å; E770-K774 IonicContact OE1-NZ 3.55Å; E770-K774 PolarHBondContact OE1-NZ 3.3Å; G771-K774 PolarHBondContact O-N 3.08Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 3.46Å
775I94.4Very high90.4Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-87.4-26.9178.967.7172.2000113.3T651 W718 L745 E746 L749 G771 I772 R777 F781T651-I775 HydrophobicContact CG2-CG2 3.45Å; T651-I775 VanDerWaalsContact CG2-CG2 3.45Å; W718-I775 PolarHBondContact NE1-O 3.21Å; L745-I775 HydrophobicContact CD2-CD1 4.37Å; L745-I775 HydrophobicContact CG-CD1 4.2Å; E746-I775 HydrophobicContact CB-CD1 3.84Å; E746-I775 HydrophobicContact CG-CD1 4.35Å; L749-I775 HydrophobicContact CD1-CD1 3.52Å; L749-I775 HydrophobicContact CD1-CG1 4.34Å; G771-I775 WeakPolarHBondContact O-CG1 3.46Å; G771-I775 PolarHBondContact O-N 3.31Å; G771-I775 VanDerWaalsContact O-N 3.11Å; I772-I775 WeakPolarHBondContact O-CG1 3.34Å; I772-I775 PolarHBondContact O-N 2.88Å; I775-R777 PolarHBondContact O-N 3.14Å; I775-F781 WeakPolarHBondContact O-CE2 3.37Å
776K92.8Very high89.3Confident106 Ų10650 Ų5046%0.46127%0.265SS..SBendtrans-84.874.4-173.3-168.2-176.8178178.40111.9I772 F781I772-K776 HydrophobicContact CG2-CB 4.46Å; I772-K776 WeakPolarHBondContact O-CB 3.46Å; I772-K776 PolarHBondContact O-N 3.03Å; K776-F781 HydrophobicContact CB-CD2 4.16Å; K776-F781 HydrophobicContact CB-CE2 4.14Å; K776-F781 HydrophobicContact CB-CZ 4.48Å; K776-F781 HydrophobicContact CG-CB 4.21Å; K776-F781 HydrophobicContact CG-CD1 3.98Å; K776-F781 HydrophobicContact CG-CD2 3.85Å; K776-F781 HydrophobicContact CG-CE1 4.31Å; K776-F781 HydrophobicContact CG-CE2 4.2Å; K776-F781 HydrophobicContact CG-CG 3.73Å; K776-F781 HydrophobicContact CG-CZ 4.41Å
777R89.3Confident87.1Confident58 Ų5855 Ų5522%0.21929%0.29CS..  trans-145.5163.1176.961.5-174.8178.992.5-0.9112.8W718 G721 A722 I775W718-R777 VanDerWaalsContact CE3-NH2 3.33Å; W718-R777 HydrophobicContact CH2-CG 3.98Å; W718-R777 HydrophobicContact CZ2-CG 3.43Å; W718-R777 VanDerWaalsContact CZ2-CG 3.43Å; W718-R777 WeakPolarHBondContact CZ2-O 3.42Å; W718-R777 PolarHBondContact O-NH2 3.28Å; G721-R777 VanDerWaalsContact CA-NH2 3.26Å; A722-R777 PolarHBondContact O-NH1 3.02Å; A722-R777 PolarHBondContact O-NH2 2.86Å; I775-R777 PolarHBondContact O-N 3.14Å
778D84.9Confident86.5Confident82 Ų8256 Ų5644%0.43930%0.297SS..G310 helixtrans50.8-147.9170.4-44.6-41.2000114W718 V780 F781 A782W718-D778 HydrophobicContact CH2-CB 4.12Å; D778-V780 PolarHBondContact O-N 3.03Å; D778-F781 PolarHBondContact O-N 3.12Å; D778-A782 PolarHBondContact O-N 3Å
779I84.8Confident86Confident4 Ų458.8 Ų58.82%0.02131%0.313CS..G310 helixtrans-53.7-27.1-174.9-170.1165.5000115.2L177 D181 L184 L206 F724 I739 F781 A782L177-I779 HydrophobicContact CD1-CD1 4.07Å; L177-I779 HydrophobicContact CD2-CB 4.29Å; L177-I779 HydrophobicContact CD2-CD1 4.09Å; L177-I779 HydrophobicContact CD2-CG1 3.82Å; D181-I779 HydrophobicContact CB-CB 4.33Å; D181-I779 HydrophobicContact CB-CD1 4.18Å; L184-I779 HydrophobicContact CD1-CD1 3.71Å; L206-I779 HydrophobicContact CD1-CD1 3.84Å; L206-I779 HydrophobicContact CD2-CD1 3.85Å; L206-I779 HydrophobicContact CD2-CG1 4.42Å; L206-I779 HydrophobicContact CG-CD1 4.4Å; F724-I779 HydrophobicContact CB-CG2 3.78Å; F724-I779 HydrophobicContact CD1-CG2 3.8Å; F724-I779 HydrophobicContact CD2-CG2 3.78Å; F724-I779 HydrophobicContact CE1-CG2 4.33Å; F724-I779 HydrophobicContact CE2-CG2 4.33Å; F724-I779 HydrophobicContact CG-CG2 3.49Å; F724-I779 VanDerWaalsContact CG-CG2 3.49Å; I739-I779 HydrophobicContact CD1-CG1 4.23Å; I779-F781 PolarHBondContact O-N 2.98Å; I779-A782 PolarHBondContact O-N 3.35Å
780V84.9Confident85.3Confident0 Ų058.9 Ų58.90%031%0.308CS..G310 helixtrans-61.8-34.4-176.4-177.40000111.3W718 F724 I739 M742 R743 D778W718-V780 HydrophobicContact CH2-CG2 3.93Å; W718-V780 HydrophobicContact CZ2-CB 4.24Å; W718-V780 HydrophobicContact CZ2-CG2 3.45Å; W718-V780 VanDerWaalsContact CZ2-CG2 3.45Å; F724-V780 HydrophobicContact CD2-CG2 3.91Å; F724-V780 HydrophobicContact CE2-CG2 4.02Å; I739-V780 HydrophobicContact CG1-CG2 4.4Å; I739-V780 HydrophobicContact CG2-CG1 4.31Å; I739-V780 WeakPolarHBondContact CG2-O 3.46Å; M742-V780 HydrophobicContact CB-CG1 3.39Å; M742-V780 HydrophobicContact CG-CG1 4.04Å; R743-V780 PolarHBondContact NE-O 3.43Å; R743-V780 PolarHBondContact NH2-O 3.18Å; D778-V780 PolarHBondContact O-N 3.03Å
781F83.5Confident84.6Confident50 Ų5057 Ų5722%0.21930%0.301CS..G310 helixtrans-119.322.4-177.2-65.6-90.9000113.3R743 E746 I775 K776 D778 I779 A783R743-F781 HydrophobicContact CG-CD1 4.44Å; R743-F781 HydrophobicContact CG-CE1 4.09Å; R743-F781 HydrophobicContact CG-CZ 4.46Å; E746-F781 HydrophobicContact CB-CE1 3.95Å; E746-F781 HydrophobicContact CB-CZ 3.73Å; E746-F781 HydrophobicContact CG-CE1 3.97Å; E746-F781 HydrophobicContact CG-CZ 3.98Å; I775-F781 WeakPolarHBondContact O-CE2 3.37Å; K776-F781 HydrophobicContact CB-CD2 4.16Å; K776-F781 HydrophobicContact CB-CE2 4.14Å; K776-F781 HydrophobicContact CB-CZ 4.48Å; K776-F781 HydrophobicContact CG-CB 4.21Å; K776-F781 HydrophobicContact CG-CD1 3.98Å; K776-F781 HydrophobicContact CG-CD2 3.85Å; K776-F781 HydrophobicContact CG-CE1 4.31Å; K776-F781 HydrophobicContact CG-CE2 4.2Å; K776-F781 HydrophobicContact CG-CG 3.73Å; K776-F781 HydrophobicContact CG-CZ 4.41Å; D778-F781 PolarHBondContact O-N 3.12Å; I779-F781 PolarHBondContact O-N 2.98Å; F781-A783 PolarHBondContact O-N 3.35Å
782A82.9Confident83.9Confident23 Ų2360.6 Ų60.619%0.1932%0.319CS..PPolyproline II helixtrans-51.8135.716900000110.4L177 R743 D778 I779L177-A782 HydrophobicContact CD2-CB 4.33Å; R743-A782 PolarHBondContact NH2-O 3.4Å; R743-A782 VanDerWaalsContact NH2-O 3.09Å; D778-A782 PolarHBondContact O-N 3Å; I779-A782 PolarHBondContact O-N 3.35Å
783A77.7Confident83.1Confident73 Ų7363.5 Ų63.560%0.60334%0.335SS*.PPolyproline II helixtrans-60.4149.917800000110.4F781F781-A783 PolarHBondContact O-N 3.35Å
784S79.8Confident82.2Confident35 Ų3560.7 Ų60.725%0.24531%0.314CS..PPolyproline II helixtrans-68.2144.3172.4-175.50000109.8E211 Y786 L787E211-S784 WeakPolarHBondContact OE1-CB 3.31Å; E211-S784 PolarHBondContact OE1-OG 3.39Å; E211-S784 VanDerWaalsContact OE2-CA 3.29Å; E211-S784 WeakPolarHBondContact OE2-CA 3.45Å; E211-S784 PolarHBondContact OE2-OG 3.12Å; S784-Y786 PolarHBondContact O-N 3.33Å; S784-Y786 PolarHBondContact OG-N 3.39Å; S784-L787 PolarHBondContact O-N 2.96Å
785L77.4Confident81.2Confident55 Ų5561.5 Ų61.529%0.28832%0.322SS..THydrogen-bonded Turntrans-72.2-9.7173.7-60176.4000112.8A173 I208 E211 T212 I215A173-L785 HydrophobicContact CB-CD1 3.84Å; A173-L785 HydrophobicContact CB-CD2 4.38Å; I208-L785 HydrophobicContact CG1-CD1 4.19Å; I208-L785 HydrophobicContact CG1-CG 4.37Å; E211-L785 HydrophobicContact CB-CB 4.26Å; E211-L785 HydrophobicContact CB-CD1 3.97Å; E211-L785 HydrophobicContact CB-CG 4.32Å; E211-L785 PolarHBondContact OE2-N 2.8Å; T212-L785 WeakPolarHBondContact OG1-CD1 3.49Å; I215-L785 HydrophobicContact CD1-CB 4.09Å; I215-L785 HydrophobicContact CD1-CD1 4.16Å
786Y71.8Confident80Confident113 Ų11366.7 Ų66.744%0.44335%0.348SS..THydrogen-bonded Turntrans-87.2-3.6176-65.6-62.9000114.2E211 E214 I235 S784E211-Y786 HydrophobicContact CB-CE2 4.2Å; E211-Y786 HydrophobicContact CG-CD2 4.11Å; E211-Y786 HydrophobicContact CG-CE2 3.77Å; E214-Y786 VanDerWaalsContact CB-OH 3.25Å; E214-Y786 WeakPolarHBondContact CB-OH 3.44Å; E214-Y786 WeakPolarHBondContact OE2-CE2 3.36Å; E214-Y786 PolarHBondContact OE2-OH 2.64Å; I235-Y786 HydrophobicContact CD1-CE2 4.18Å; S784-Y786 PolarHBondContact O-N 3.33Å; S784-Y786 PolarHBondContact OG-N 3.39Å
787L50.7Low78.9Confident201 Ų20163.1 Ų63.1100%1.05234%0.338SS*.  trans-89.10-176.7-80.5166.8000113.3S784S784-L787 PolarHBondContact O-N 2.96Å

Retrieved 787 of 787 residues in 1577.3 ms (Link to these results)

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