A0A087Y2Q3_POEFO Loading...

Mical-like 2a

AlphaFold DB , UniProt , Accession A0A087Y2Q3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 756 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
1M46.8Very low79Confident190 Ų19047.4 Ų47.494%0.93624%0.241SC*.  0123.50-179.9179.5-79.100105.8K5M1-K5 HydrophobicContact CG-CB 4.49Å
2A68.7Low80.1Confident14 Ų1448.8 Ų48.812%0.11625%0.245CC..  trans-61.1151.3-175.600000111.4I4 K5 A6 D622 D626A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.11Å; A2-K5 HydrophobicContact CB-CG 4.4Å; A2-K5 PolarHBondContact O-N 3.35Å; A2-A6 WeakPolarHBondContact O-CB 3.47Å; A2-A6 PolarHBondContact O-N 2.86Å; A2-D622 HydrophobicContact CB-CB 3.82Å; A2-D626 WeakPolarHBondContact CA-OD2 3.45Å; A2-D626 WeakPolarHBondContact CB-OD2 3.45Å
3A70Confident81Confident20 Ų2052.5 Ų52.517%0.16526%0.264CS..Hα-helixtrans-60.6-44.2179.500000111.5K5 A6 L7 D626 L730A3-K5 PolarHBondContact O-N 3.05Å; A3-A6 WeakPolarHBondContact O-CB 3.23Å; A3-A6 PolarHBondContact O-N 3.32Å; A3-A6 VanDerWaalsContact O-N 3.11Å; A3-L7 PolarHBondContact O-N 2.67Å; A3-D626 VanDerWaalsContact CB-OD1 3.27Å; A3-D626 WeakPolarHBondContact CB-OD1 3.04Å; A3-D626 PolarHBondContact N-OD1 3.14Å; A3-D626 PolarHBondContact N-OD2 3.49Å; A3-L730 HydrophobicContact CB-CD2 3.26Å
4I78.9Confident81.9Confident6 Ų650.9 Ų50.93%0.03126%0.255CS..Hα-helixtrans-55.6-50.6175.8-70.5168.5000111A2 A6 L7 E8 L96 D622 M625 D626 M629A2-I4 VanDerWaalsContact C-N 3.33Å; A2-I4 PolarHBondContact O-N 3.11Å; I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 2.73Å; I4-L7 PolarHBondContact O-N 3.23Å; I4-E8 PolarHBondContact O-N 2.97Å; I4-L96 HydrophobicContact CD1-CD1 4.24Å; I4-L96 HydrophobicContact CG1-CD1 4.26Å; I4-L96 HydrophobicContact CG1-CD2 4.34Å; I4-L96 HydrophobicContact CG2-CD1 4.45Å; I4-L96 HydrophobicContact CG2-CD2 4.02Å; I4-D622 HydrophobicContact CB-CB 4.3Å; I4-D622 HydrophobicContact CD1-CB 4.26Å; I4-M625 HydrophobicContact CD1-CB 3.89Å; I4-M625 HydrophobicContact CD1-CG 3.73Å; I4-M625 HydrophobicContact CD1-SD 3.42Å; I4-M625 WeakPolarHBondContact CD1-SD 3.47Å; I4-D626 PolarHBondContact N-OD1 3.27Å; I4-M629 HydrophobicContact CD1-CG 4.27Å
5K79.4Confident82.7Confident116 Ų11647.7 Ų47.750%0.50424%0.24SC..Hα-helixtrans-66-30.8177.2-60.1-159.1-174.5-161.60113M1 A2 A3 Q9 D622M1-K5 HydrophobicContact CG-CB 4.49Å; A2-K5 HydrophobicContact CB-CG 4.4Å; A2-K5 PolarHBondContact O-N 3.35Å; A3-K5 PolarHBondContact O-N 3.05Å; K5-Q9 WeakPolarHBondContact O-CB 2.91Å; K5-Q9 PolarHBondContact O-N 3.37Å; K5-D622 WeakPolarHBondContact CE-OD2 3.45Å; K5-D622 IonicContact NZ-OD2 2.85Å
6A81.9Confident83.4Confident23 Ų2352.4 Ų52.419%0.1927%0.266CS..Hα-helixtrans-72.1-33.1175.300000112.7A2 A3 I4 W10A2-A6 WeakPolarHBondContact O-CB 3.47Å; A2-A6 PolarHBondContact O-N 2.86Å; A3-A6 WeakPolarHBondContact O-CB 3.23Å; A3-A6 PolarHBondContact O-N 3.32Å; A3-A6 VanDerWaalsContact O-N 3.11Å; I4-A6 VanDerWaalsContact C-N 3.3Å; I4-A6 PolarHBondContact O-N 2.73Å; A6-W10 PolarHBondContact O-N 3.34Å
7L83.4Confident83.8Confident22 Ų2253.9 Ų53.912%0.11530%0.297CS..Hα-helixtrans-70.4-47.2174.2-176.563.8000111A3 I4 Q9 W10 C11 M26 L96 V99 Y103A3-L7 PolarHBondContact O-N 2.67Å; I4-L7 PolarHBondContact O-N 3.23Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.39Å; L7-W10 HydrophobicContact CD1-CE3 4.2Å; L7-W10 PolarHBondContact O-N 2.94Å; L7-C11 PolarHBondContact O-N 2.86Å; L7-C11 PolarHBondContact O-SG 2.67Å; L7-M26 HydrophobicContact CB-CE 4.21Å; L7-M26 HydrophobicContact CD2-CE 3.82Å; L7-M26 HydrophobicContact CG-CE 3.66Å; L7-L96 HydrophobicContact CD2-CD2 4.23Å; L7-V99 HydrophobicContact CD1-CG1 4.25Å; L7-V99 HydrophobicContact CD2-CG1 4.33Å; L7-V99 HydrophobicContact CG-CG1 4.19Å; L7-Y103 VanDerWaalsContact CD1-CB 3.46Å; L7-Y103 HydrophobicContact CD1-CD2 3.8Å; L7-Y103 HydrophobicContact CD1-CG 3.81Å
8E88.6Confident84.5Confident34 Ų3453.1 Ų53.116%0.15929%0.29CS..Hα-helixtrans-58.4-44.6173.9-171.9-166.899.100111.6I4 W10 C11 K12 V23 M26I4-E8 PolarHBondContact O-N 2.97Å; E8-W10 VanDerWaalsContact C-N 3.33Å; E8-W10 PolarHBondContact O-N 3.03Å; E8-C11 WeakPolarHBondContact O-CB 3.44Å; E8-C11 PolarHBondContact O-N 3.11Å; E8-K12 HydrophobicContact CG-CD 4.45Å; E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 2.73Å; E8-K12 IonicContact OE1-NZ 3.78Å; E8-K12 PolarHBondContact OE1-NZ 3.32Å; E8-V23 HydrophobicContact CG-CG1 4.4Å; E8-M26 HydrophobicContact CB-CE 4.22Å; E8-M26 HydrophobicContact CB-CG 4.02Å; E8-M26 HydrophobicContact CB-SD 3.67Å; E8-M26 HydrophobicContact CG-CG 4.12Å; E8-M26 HydrophobicContact CG-SD 3.76Å
9Q87.1Confident85Confident86 Ų8656.2 Ų56.240%0.40230%0.296SS..Hα-helixtrans-66.4-31.2177.1-17160.731.300112.9K5 L7 I13K5-Q9 WeakPolarHBondContact O-CB 2.91Å; K5-Q9 PolarHBondContact O-N 3.37Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.39Å; Q9-I13 HydrophobicContact CG-CD1 4.15Å; Q9-I13 WeakPolarHBondContact O-CD1 3.38Å; Q9-I13 VanDerWaalsContact O-CG1 3.24Å; Q9-I13 WeakPolarHBondContact O-CG1 3.22Å; Q9-I13 PolarHBondContact O-N 2.95Å
10W90.6Very high85.4Confident10 Ų1057.5 Ų57.54%0.03830%0.303CS..Hα-helixtrans-66.4-44.4171168.772.2000111.5A6 L7 E8 I13 Q14 L39 Y43 Y103 F106A6-W10 PolarHBondContact O-N 3.34Å; L7-W10 HydrophobicContact CD1-CE3 4.2Å; L7-W10 PolarHBondContact O-N 2.94Å; E8-W10 VanDerWaalsContact C-N 3.33Å; E8-W10 PolarHBondContact O-N 3.03Å; W10-I13 PolarHBondContact O-N 3.4Å; W10-I13 VanDerWaalsContact O-N 3.15Å; W10-Q14 VanDerWaalsContact CD1-NE2 3.34Å; W10-Q14 HydrophobicContact CD2-CG 4.05Å; W10-Q14 VanDerWaalsContact CE2-CG 3.4Å; W10-Q14 HydrophobicContact CG-CG 4.32Å; W10-Q14 HydrophobicContact CZ2-CG 3.69Å; W10-Q14 VanDerWaalsContact NE1-CG 3.26Å; W10-Q14 WeakPolarHBondContact O-CG 3.36Å; W10-Q14 PolarHBondContact O-N 3.43Å; W10-Q14 PolarHBondContact O-NE2 2.73Å; W10-L39 HydrophobicContact CH2-CD1 4.36Å; W10-L39 HydrophobicContact CH2-CD2 3.74Å; W10-L39 HydrophobicContact CZ2-CD2 4.28Å; W10-L39 HydrophobicContact CZ3-CD1 4.23Å; W10-L39 HydrophobicContact CZ3-CD2 3.96Å; W10-Y43 HydrophobicContact CZ2-CE2 4.19Å; W10-Y43 PolarHBondContact NE1-OH 3.14Å; W10-Y103 HydrophobicContact CB-CD2 3.9Å; W10-Y103 HydrophobicContact CB-CE2 3.96Å; W10-Y103 AromaticContact CD2-CD2 3.47Å; W10-Y103 HydrophobicContact CD2-CD2 3.47Å; W10-Y103 VanDerWaalsContact CD2-CD2 3.47Å; W10-Y103 HydrophobicContact CD2-CE2 4.22Å; W10-Y103 HydrophobicContact CD2-CG 4.31Å; W10-Y103 AromaticContact CE3-CD2 3.7Å; W10-Y103 HydrophobicContact CE3-CD2 3.7Å; W10-Y103 HydrophobicContact CE3-CG 4.27Å; W10-Y103 AromaticContact CG-CD2 3.56Å; W10-Y103 HydrophobicContact CG-CD2 3.56Å; W10-Y103 AromaticContact CG-CE2 3.83Å; W10-Y103 HydrophobicContact CG-CE2 3.83Å; W10-Y103 HydrophobicContact CZ3-CD2 4.47Å; W10-F106 HydrophobicContact CH2-CD2 4.46Å; W10-F106 HydrophobicContact CZ2-CB 4.24Å
11C93.1Very high85.9Confident0 Ų055.7 Ų55.70%030%0.295CS..Hα-helixtrans-59.8-47.1177.3-60.10000111.2L7 E8 I13 Q14 C15 V23 F30 V99L7-C11 PolarHBondContact O-N 2.86Å; L7-C11 PolarHBondContact O-SG 2.67Å; E8-C11 WeakPolarHBondContact O-CB 3.44Å; E8-C11 PolarHBondContact O-N 3.11Å; C11-I13 VanDerWaalsContact C-N 3.29Å; C11-I13 PolarHBondContact O-N 3.36Å; C11-Q14 PolarHBondContact O-N 3.13Å; C11-Q14 VanDerWaalsContact O-N 3.16Å; C11-C15 WeakPolarHBondContact O-CB 3.4Å; C11-C15 PolarHBondContact O-N 2.89Å; C11-V23 HydrophobicContact CB-CG1 3.94Å; C11-V23 HydrophobicContact CB-CG2 4.35Å; C11-F30 HydrophobicContact CB-CZ 4.07Å; C11-V99 WeakPolarHBondContact SG-CG1 3.33Å
12K93.1Very high88.1Confident65 Ų6550 Ų5028%0.28328%0.278SS..Hα-helixtrans-48.6-48.8171.3-79.7166.5171.51700112.3E8 D16 V23E8-K12 HydrophobicContact CG-CD 4.45Å; E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 2.73Å; E8-K12 IonicContact OE1-NZ 3.78Å; E8-K12 PolarHBondContact OE1-NZ 3.32Å; K12-D16 PolarHBondContact O-N 3.14Å; K12-D16 VanDerWaalsContact O-N 3.11Å; K12-V23 WeakPolarHBondContact CE-O 3.29Å; K12-V23 HydrophobicContact CG-CB 3.97Å; K12-V23 HydrophobicContact CG-CG1 4.16Å; K12-V23 WeakPolarHBondContact CG-O 3.23Å
13I91.9Very high89.2Confident97 Ų9749.8 Ų49.850%0.49728%0.275SS..Hα-helixtrans-72.8-31.5-177.8-65.3164.7000112.5Q9 W10 C11Q9-I13 HydrophobicContact CG-CD1 4.15Å; Q9-I13 WeakPolarHBondContact O-CD1 3.38Å; Q9-I13 VanDerWaalsContact O-CG1 3.24Å; Q9-I13 WeakPolarHBondContact O-CG1 3.22Å; Q9-I13 PolarHBondContact O-N 2.95Å; W10-I13 PolarHBondContact O-N 3.4Å; W10-I13 VanDerWaalsContact O-N 3.15Å; C11-I13 VanDerWaalsContact C-N 3.29Å; C11-I13 PolarHBondContact O-N 3.36Å
14Q92.4Very high90.2Very high29 Ų2953.2 Ų53.214%0.13629%0.294CS..Hα-helixtrans-77.8-40.8178.5-62.8-25.8-75.200111.9W10 C11 D16 L39 K42 Y43W10-Q14 VanDerWaalsContact CD1-NE2 3.34Å; W10-Q14 HydrophobicContact CD2-CG 4.05Å; W10-Q14 VanDerWaalsContact CE2-CG 3.4Å; W10-Q14 HydrophobicContact CG-CG 4.32Å; W10-Q14 HydrophobicContact CZ2-CG 3.69Å; W10-Q14 VanDerWaalsContact NE1-CG 3.26Å; W10-Q14 WeakPolarHBondContact O-CG 3.36Å; W10-Q14 PolarHBondContact O-N 3.43Å; W10-Q14 PolarHBondContact O-NE2 2.73Å; C11-Q14 PolarHBondContact O-N 3.13Å; C11-Q14 VanDerWaalsContact O-N 3.16Å; Q14-D16 VanDerWaalsContact C-N 3.25Å; Q14-D16 PolarHBondContact O-N 3.32Å; Q14-L39 HydrophobicContact CB-CD2 3.57Å; Q14-L39 HydrophobicContact CG-CD2 4.1Å; Q14-K42 HydrophobicContact CB-CG 4.42Å; Q14-K42 WeakPolarHBondContact O-CG 3.4Å; Q14-K42 PolarHBondContact O-NZ 3.33Å; Q14-Y43 HydrophobicContact CG-CE2 4.07Å; Q14-Y43 PolarHBondContact OE1-OH 3.3Å; Q14-Y43 VanDerWaalsContact OE1-OH 3.07Å
15C94.5Very high90.7Very high4 Ų454.9 Ų54.93%0.02730%0.303CS..SBendtrans-82.80.9178.4-57.10000113.6C11 Y18 V21 V23 A38C11-C15 WeakPolarHBondContact O-CB 3.4Å; C11-C15 PolarHBondContact O-N 2.89Å; C15-Y18 WeakPolarHBondContact O-CB 3.48Å; C15-Y18 WeakPolarHBondContact O-CD2 3.3Å; C15-Y18 PolarHBondContact O-N 3.4Å; C15-V21 HydrophobicContact CB-CG1 3.55Å; C15-V23 HydrophobicContact CB-CG2 4.19Å; C15-A38 HydrophobicContact CB-CB 4.31Å
16D93.3Very high91.2Very high122 Ų12249.5 Ų49.565%0.65228%0.28SS*.THydrogen-bonded Turntrans-61.1136.6173.5-167.423.9000111.2K12 Q14 K42K12-D16 PolarHBondContact O-N 3.14Å; K12-D16 VanDerWaalsContact O-N 3.11Å; Q14-D16 VanDerWaalsContact C-N 3.25Å; Q14-D16 PolarHBondContact O-N 3.32Å; D16-K42 PolarHBondContact O-NZ 2.91Å
17G91.4Very high91.5Very high78 Ų7849.4 Ų49.480%0.80428%0.277SS*.THydrogen-bonded Turntrans83.2-3-173.900000116.8
18Y95.5Very high91.9Very high40 Ų4051.2 Ų51.216%0.15729%0.289CS..  trans-86.4140.1-179.4-78.7-89.2000113.8C15 D20 A38 H41 K42 Y50C15-Y18 WeakPolarHBondContact O-CB 3.48Å; C15-Y18 WeakPolarHBondContact O-CD2 3.3Å; C15-Y18 PolarHBondContact O-N 3.4Å; Y18-D20 PolarHBondContact O-N 2.98Å; Y18-A38 HydrophobicContact CD1-CB 3.84Å; Y18-A38 HydrophobicContact CD2-CB 3.86Å; Y18-A38 HydrophobicContact CE1-CB 4.12Å; Y18-A38 HydrophobicContact CE2-CB 4.09Å; Y18-A38 HydrophobicContact CG-CB 3.7Å; Y18-A38 PolarHBondContact OH-O 3.15Å; Y18-H41 HydrophobicContact CE1-CB 4.24Å; Y18-H41 AromaticContact CE1-ND1 3.39Å; Y18-H41 WeakPolarHBondContact CE1-ND1 3.34Å; Y18-H41 AromaticContact CZ-ND1 3.56Å; Y18-H41 PolarHBondContact OH-ND1 2.91Å; Y18-K42 HydrophobicContact CE2-CB 4.16Å; Y18-K42 HydrophobicContact CE2-CD 4.15Å; Y18-K42 WeakPolarHBondContact OH-CA 3.41Å; Y18-K42 PolarHBondContact OH-N 3.45Å; Y18-Y50 AromaticContact CD1-CD1 3.78Å; Y18-Y50 HydrophobicContact CD1-CD1 3.78Å; Y18-Y50 AromaticContact CD1-CD2 3.98Å; Y18-Y50 HydrophobicContact CD1-CD2 3.98Å; Y18-Y50 AromaticContact CD1-CE1 3.65Å; Y18-Y50 HydrophobicContact CD1-CE1 3.65Å; Y18-Y50 AromaticContact CD1-CE2 3.84Å; Y18-Y50 HydrophobicContact CD1-CE2 3.84Å; Y18-Y50 AromaticContact CD1-CG 3.96Å; Y18-Y50 HydrophobicContact CD1-CG 3.96Å; Y18-Y50 AromaticContact CD1-CZ 3.69Å; Y18-Y50 HydrophobicContact CE1-CD1 4.21Å; Y18-Y50 HydrophobicContact CE1-CD2 4.04Å; Y18-Y50 HydrophobicContact CE1-CE1 4.49Å; Y18-Y50 HydrophobicContact CE1-CE2 4.31Å; Y18-Y50 AromaticContact CE1-CG 4Å; Y18-Y50 HydrophobicContact CE1-CG 4Å
19R95.1Very high92.2Very high111 Ų11150.3 Ų50.342%0.41929%0.286SS..THydrogen-bonded Turntrans-59.9135.3173-170.1-176.870.6-144.40.2110.6V21 Y50 D51 L53R19-V21 PolarHBondContact O-N 3.29Å; R19-V21 VanDerWaalsContact O-N 3.08Å; R19-Y50 HydrophobicContact CB-CE1 4.43Å; R19-Y50 PolarHBondContact O-OH 3.28Å; R19-D51 PolarHBondContact NH1-O 2.98Å; R19-D51 PolarHBondContact NH2-O 2.8Å; R19-L53 PolarHBondContact NH2-O 3.08Å
20D92.8Very high92.6Very high82 Ų8246.2 Ų46.244%0.43927%0.267SS..THydrogen-bonded Turntrans59.311.5174.7-70.4-57.3000117.6Y18 L34 K55Y18-D20 PolarHBondContact O-N 2.98Å; D20-L34 HydrophobicContact CB-CD1 3.74Å; D20-K55 HydrophobicContact CB-CB 4.33Å; D20-K55 HydrophobicContact CB-CD 4.28Å
21V94.6Very high92.7Very high20 Ų2049.2 Ų49.212%0.12128%0.279CS..  trans-110.4111.6176.4176.80000111.3C15 R19 V23 L34 A35 A38 Y50C15-V21 HydrophobicContact CB-CG1 3.55Å; R19-V21 PolarHBondContact O-N 3.29Å; R19-V21 VanDerWaalsContact O-N 3.08Å; V21-V23 HydrophobicContact CG1-CG2 4.06Å; V21-L34 HydrophobicContact CG2-CB 3.49Å; V21-L34 VanDerWaalsContact CG2-CB 3.49Å; V21-A35 HydrophobicContact CG1-CB 4.07Å; V21-A38 HydrophobicContact CG2-CB 4.4Å; V21-Y50 WeakPolarHBondContact CG2-OH 3.38Å
22A92.8Very high92.8Very high70 Ų7050.2 Ų50.258%0.57928%0.284SS*.  trans-12395.9169.800000109.2T24 S29A22-T24 HydrophobicContact CB-CG2 4.44Å; A22-T24 PolarHBondContact O-N 3.2Å; A22-S29 PolarHBondContact O-OG 2.84Å
23V93.5Very high92.8Very high11 Ų1147.1 Ų47.17%0.06727%0.27CS..  trans-73.5109.6173-175.10000108.3E8 C11 K12 C15 V21 F30 A35E8-V23 HydrophobicContact CG-CG1 4.4Å; C11-V23 HydrophobicContact CB-CG1 3.94Å; C11-V23 HydrophobicContact CB-CG2 4.35Å; K12-V23 WeakPolarHBondContact CE-O 3.29Å; K12-V23 HydrophobicContact CG-CB 3.97Å; K12-V23 HydrophobicContact CG-CG1 4.16Å; K12-V23 WeakPolarHBondContact CG-O 3.23Å; C15-V23 HydrophobicContact CB-CG2 4.19Å; V21-V23 HydrophobicContact CG1-CG2 4.06Å; V23-F30 HydrophobicContact CG1-CE2 3.95Å; V23-F30 HydrophobicContact CG1-CZ 4.23Å; V23-F30 HydrophobicContact CG2-CZ 4.46Å; V23-A35 HydrophobicContact CG2-CB 4.46Å
24T90.4Very high93Very high92 Ų9242.5 Ų42.556%0.56425%0.247SC*.  trans-127.1-17.7-178.957.50000112.4A22 S29A22-T24 HydrophobicContact CB-CG2 4.44Å; A22-T24 PolarHBondContact O-N 3.2Å; T24-S29 PolarHBondContact N-OG 2.82Å; T24-S29 PolarHBondContact OG1-OG 2.9Å
25N89.1Confident93.2Very high41 Ų4141.1 Ų41.122%0.21924%0.241CC..SBendtrans-146.9176.7174.960.551.1000110.1T27 T28 S29N25-T27 VanDerWaalsContact OD1-C 3.25Å; N25-T27 WeakPolarHBondContact OD1-CA 3.42Å; N25-T27 PolarHBondContact OD1-N 3Å; N25-T27 PolarHBondContact OD1-OG1 3.44Å; N25-T28 PolarHBondContact ND2-OG1 3.37Å; N25-T28 PolarHBondContact OD1-N 2.72Å; N25-S29 PolarHBondContact N-OG 3.15Å; N25-S29 WeakPolarHBondContact O-CB 3.47Å; N25-S29 PolarHBondContact OD1-N 3.05Å; N25-S29 PolarHBondContact OD1-OG 3.29Å
26M89.6Confident93.3Very high2 Ų241 Ų411%0.0124%0.239CC..SBendtrans-103.937.7173.3-56-61.6-100.500111.6L7 E8 F30 R92 I95 L96 V99L7-M26 HydrophobicContact CB-CE 4.21Å; L7-M26 HydrophobicContact CD2-CE 3.82Å; L7-M26 HydrophobicContact CG-CE 3.66Å; E8-M26 HydrophobicContact CB-CE 4.22Å; E8-M26 HydrophobicContact CB-CG 4.02Å; E8-M26 HydrophobicContact CB-SD 3.67Å; E8-M26 HydrophobicContact CG-CG 4.12Å; E8-M26 HydrophobicContact CG-SD 3.76Å; M26-F30 HydrophobicContact SD-CE2 3.75Å; M26-F30 HydrophobicContact SD-CZ 4.32Å; M26-R92 HydrophobicContact CB-CG 4.28Å; M26-I95 HydrophobicContact CB-CG2 4.37Å; M26-I95 VanDerWaalsContact O-CB 3.3Å; M26-I95 WeakPolarHBondContact O-CB 3.41Å; M26-I95 VanDerWaalsContact O-CG2 3.28Å; M26-I95 WeakPolarHBondContact O-CG2 3.43Å; M26-L96 HydrophobicContact CB-CD2 3.86Å; M26-L96 HydrophobicContact CB-CG 4.12Å; M26-L96 HydrophobicContact CE-CD2 3.88Å; M26-L96 HydrophobicContact CG-CD2 3.77Å; M26-V99 HydrophobicContact CE-CB 4.43Å; M26-V99 HydrophobicContact CE-CG1 3.88Å
27T89.8Confident93.5Very high22 Ų2235.1 Ų35.114%0.13521%0.208CC..SBendtrans-137.8-97.1174.555.80000110.7N25 S29 F30 I89 P90 R92N25-T27 VanDerWaalsContact OD1-C 3.25Å; N25-T27 WeakPolarHBondContact OD1-CA 3.42Å; N25-T27 PolarHBondContact OD1-N 3Å; N25-T27 PolarHBondContact OD1-OG1 3.44Å; T27-S29 PolarHBondContact O-N 3.37Å; T27-S29 VanDerWaalsContact O-N 3.16Å; T27-F30 PolarHBondContact O-N 3.42Å; T27-I89 HydrophobicContact CG2-CG2 4.34Å; T27-P90 WeakPolarHBondContact CB-O 3.29Å; T27-P90 WeakPolarHBondContact CG2-O 3.41Å; T27-P90 VanDerWaalsContact O-CG 3.23Å; T27-P90 WeakPolarHBondContact O-CG 3.32Å; T27-R92 HydrophobicContact CG2-CB 3.47Å; T27-R92 VanDerWaalsContact CG2-CB 3.47Å; T27-R92 HydrophobicContact CG2-CG 3.88Å
28T91.4Very high93.7Very high60 Ų6031.4 Ų31.437%0.36817%0.17SC..G310 helixtrans-61.9-26.1-172.352.80000114.2N25 F30 R31 I89N25-T28 PolarHBondContact ND2-OG1 3.37Å; N25-T28 PolarHBondContact OD1-N 2.72Å; T28-F30 PolarHBondContact O-N 3.06Å; T28-R31 WeakPolarHBondContact O-CB 3.4Å; T28-R31 PolarHBondContact O-N 3.23Å; T28-R31 VanDerWaalsContact O-N 3.14Å; T28-I89 HydrophobicContact CG2-CB 4.21Å; T28-I89 HydrophobicContact CG2-CG1 3.88Å; T28-I89 HydrophobicContact CG2-CG2 4.16Å
29S94.6Very high93.7Very high14 Ų1429.5 Ų29.510%0.09816%0.162CC..G310 helixtrans-59.7-22.6173.7-75.40000114.5A22 T24 N25 T27A22-S29 PolarHBondContact O-OG 2.84Å; T24-S29 PolarHBondContact N-OG 2.82Å; T24-S29 PolarHBondContact OG1-OG 2.9Å; N25-S29 PolarHBondContact N-OG 3.15Å; N25-S29 WeakPolarHBondContact O-CB 3.47Å; N25-S29 PolarHBondContact OD1-N 3.05Å; N25-S29 PolarHBondContact OD1-OG 3.29Å; T27-S29 PolarHBondContact O-N 3.37Å; T27-S29 VanDerWaalsContact O-N 3.16Å
30F95.3Very high93.5Very high0 Ų024.2 Ų24.20%014%0.142CC..G310 helixtrans-101.5-10.3178.5-73-92.1000113.1C11 V23 M26 T27 T28 N32 G33 A35 F36 L39 M84 I95 V99C11-F30 HydrophobicContact CB-CZ 4.07Å; V23-F30 HydrophobicContact CG1-CE2 3.95Å; V23-F30 HydrophobicContact CG1-CZ 4.23Å; V23-F30 HydrophobicContact CG2-CZ 4.46Å; M26-F30 HydrophobicContact SD-CE2 3.75Å; M26-F30 HydrophobicContact SD-CZ 4.32Å; T27-F30 PolarHBondContact O-N 3.42Å; T28-F30 PolarHBondContact O-N 3.06Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.89Å; F30-G33 PolarHBondContact O-N 2.89Å; F30-G33 VanDerWaalsContact O-N 3.13Å; F30-A35 HydrophobicContact CD1-CB 3.6Å; F30-A35 HydrophobicContact CE1-CB 3.85Å; F30-A35 HydrophobicContact CG-CB 4.15Å; F30-F36 HydrophobicContact CB-CE2 3.77Å; F30-F36 HydrophobicContact CB-CZ 4.08Å; F30-F36 HydrophobicContact CD1-CD1 4.19Å; F30-F36 HydrophobicContact CD1-CD2 4.12Å; F30-F36 AromaticContact CD1-CE1 3.87Å; F30-F36 HydrophobicContact CD1-CE1 3.87Å; F30-F36 AromaticContact CD1-CE2 3.79Å; F30-F36 HydrophobicContact CD1-CE2 3.79Å; F30-F36 HydrophobicContact CD1-CG 4.31Å; F30-F36 AromaticContact CD1-CZ 3.65Å; F30-F36 HydrophobicContact CD1-CZ 3.65Å; F30-F36 HydrophobicContact CE1-CE1 4.34Å; F30-F36 HydrophobicContact CG-CE2 4.24Å; F30-F36 HydrophobicContact CG-CZ 4.19Å; F30-L39 HydrophobicContact CE1-CD1 4.26Å; F30-M84 VanDerWaalsContact O-CE 3.26Å; F30-M84 WeakPolarHBondContact O-CE 3.23Å; F30-I95 HydrophobicContact CB-CD1 3.93Å; F30-I95 HydrophobicContact CB-CG2 4.26Å; F30-I95 HydrophobicContact CD2-CG2 3.8Å; F30-I95 HydrophobicContact CE2-CG2 4.34Å; F30-I95 HydrophobicContact CG-CG2 4Å; F30-V99 HydrophobicContact CD1-CG2 3.99Å; F30-V99 HydrophobicContact CE1-CG1 4.47Å; F30-V99 HydrophobicContact CE1-CG2 3.6Å; F30-V99 HydrophobicContact CE2-CG2 4.48Å; F30-V99 HydrophobicContact CZ-CG1 4.24Å; F30-V99 HydrophobicContact CZ-CG2 3.88Å
31R93.6Very high93.6Very high73 Ų7322.6 Ų22.628%0.27513%0.132SC..THydrogen-bonded Turntrans-55.8-42.5-170.3-174-179.8175.8-104.8-3.3113T28 G33 V58 N62 M84 V85 L87 K88 P90T28-R31 WeakPolarHBondContact O-CB 3.4Å; T28-R31 PolarHBondContact O-N 3.23Å; T28-R31 VanDerWaalsContact O-N 3.14Å; R31-G33 PolarHBondContact O-N 3.46Å; R31-V58 WeakPolarHBondContact O-CG1 3.47Å; R31-N62 PolarHBondContact O-ND2 3.23Å; R31-M84 VanDerWaalsContact CG-O 3.32Å; R31-M84 WeakPolarHBondContact CG-O 3.27Å; R31-M84 PolarHBondContact NE-O 2.87Å; R31-V85 PolarHBondContact NH2-O 3.43Å; R31-L87 PolarHBondContact NE-O 3.4Å; R31-K88 WeakPolarHBondContact CD-O 3.44Å; R31-P90 HydrophobicContact CB-CG 4.11Å
32N93.4Very high93.5Very high21 Ų2125.7 Ų25.711%0.11214%0.144CC..THydrogen-bonded Turntrans-78.75.5-175.668.4-19.5000114.9F30 L34 V58 N61F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.89Å; N32-L34 PolarHBondContact O-N 2.79Å; N32-V58 HydrophobicContact CB-CG2 4.44Å; N32-N61 VanDerWaalsContact O-CB 3.26Å; N32-N61 WeakPolarHBondContact O-CB 3.39Å; N32-N61 PolarHBondContact O-ND2 3.19Å
33G93.9Very high93.3Very high0 Ų025.7 Ų25.70%013%0.129CC..SBendtrans74.8-31.518000000114.9F30 R31 A35 F36 C37 N62F30-G33 PolarHBondContact O-N 2.89Å; F30-G33 VanDerWaalsContact O-N 3.13Å; R31-G33 PolarHBondContact O-N 3.46Å; G33-A35 PolarHBondContact O-N 2.86Å; G33-A35 VanDerWaalsContact O-N 3.07Å; G33-F36 WeakPolarHBondContact O-CA 3.5Å; G33-F36 WeakPolarHBondContact O-CB 3.38Å; G33-F36 PolarHBondContact O-N 3.29Å; G33-C37 PolarHBondContact O-N 2.94Å; G33-C37 VanDerWaalsContact O-N 3.11Å; G33-N62 WeakPolarHBondContact CA-OD1 3.31Å; G33-N62 PolarHBondContact N-ND2 3.22Å
34L96.8Very high93Very high1 Ų129.5 Ų29.51%0.00514%0.143CC..Hα-helixtrans-52.8-35.6-176.8-65.4-171.9000113.6D20 V21 N32 F36 C37 A38 L53 K55 N61D20-L34 HydrophobicContact CB-CD1 3.74Å; V21-L34 HydrophobicContact CG2-CB 3.49Å; V21-L34 VanDerWaalsContact CG2-CB 3.49Å; N32-L34 PolarHBondContact O-N 2.79Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 3.01Å; L34-C37 PolarHBondContact O-N 2.81Å; L34-A38 VanDerWaalsContact O-CB 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.41Å; L34-A38 PolarHBondContact O-N 2.92Å; L34-L53 HydrophobicContact CD2-CB 3.57Å; L34-L53 HydrophobicContact CD2-CD1 4.14Å; L34-K55 HydrophobicContact CD1-CB 4.08Å; L34-N61 WeakPolarHBondContact CD2-ND2 3.37Å
35A97.1Very high93Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-63.2-36.917600000113V21 V23 F30 G33 L39V21-A35 HydrophobicContact CG1-CB 4.07Å; V23-A35 HydrophobicContact CG2-CB 4.46Å; F30-A35 HydrophobicContact CD1-CB 3.6Å; F30-A35 HydrophobicContact CE1-CB 3.85Å; F30-A35 HydrophobicContact CG-CB 4.15Å; G33-A35 PolarHBondContact O-N 2.86Å; G33-A35 VanDerWaalsContact O-N 3.07Å; A35-L39 WeakPolarHBondContact O-CG 3.26Å; A35-L39 PolarHBondContact O-N 3Å; A35-L39 VanDerWaalsContact O-N 3.14Å
36F96.3Very high93.1Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-72.2-41.4173.4-63.3-76000111.4F30 G33 L34 A38 L39 I40 A65 F66 L79 M84 I95 Y98 V99 Y102F30-F36 HydrophobicContact CB-CE2 3.77Å; F30-F36 HydrophobicContact CB-CZ 4.08Å; F30-F36 HydrophobicContact CD1-CD1 4.19Å; F30-F36 HydrophobicContact CD1-CD2 4.12Å; F30-F36 AromaticContact CD1-CE1 3.87Å; F30-F36 HydrophobicContact CD1-CE1 3.87Å; F30-F36 AromaticContact CD1-CE2 3.79Å; F30-F36 HydrophobicContact CD1-CE2 3.79Å; F30-F36 HydrophobicContact CD1-CG 4.31Å; F30-F36 AromaticContact CD1-CZ 3.65Å; F30-F36 HydrophobicContact CD1-CZ 3.65Å; F30-F36 HydrophobicContact CE1-CE1 4.34Å; F30-F36 HydrophobicContact CG-CE2 4.24Å; F30-F36 HydrophobicContact CG-CZ 4.19Å; G33-F36 WeakPolarHBondContact O-CA 3.5Å; G33-F36 WeakPolarHBondContact O-CB 3.38Å; G33-F36 PolarHBondContact O-N 3.29Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 3.01Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.3Å; F36-L39 PolarHBondContact O-N 3.29Å; F36-I40 WeakPolarHBondContact O-CG1 3.24Å; F36-I40 PolarHBondContact O-N 2.84Å; F36-A65 HydrophobicContact CB-CB 3.6Å; F36-F66 AromaticContact CD2-CE1 3.8Å; F36-F66 HydrophobicContact CD2-CE1 3.8Å; F36-F66 HydrophobicContact CD2-CZ 4.45Å; F36-F66 AromaticContact CE2-CE1 3.9Å; F36-F66 HydrophobicContact CE2-CE1 3.9Å; F36-F66 HydrophobicContact CE2-CZ 4.27Å; F36-F66 HydrophobicContact CG-CE1 4.14Å; F36-F66 HydrophobicContact CZ-CE1 4.35Å; F36-L79 HydrophobicContact CE2-CD1 4.3Å; F36-L79 HydrophobicContact CZ-CD1 3.8Å; F36-M84 HydrophobicContact CE2-CE 3.89Å; F36-I95 HydrophobicContact CZ-CD1 4.17Å; F36-Y98 HydrophobicContact CD1-CD1 4.36Å; F36-Y98 HydrophobicContact CD1-CE1 4.26Å; F36-Y98 AromaticContact CE1-CD1 3.6Å; F36-Y98 HydrophobicContact CE1-CD1 3.6Å; F36-Y98 AromaticContact CE1-CE1 3.94Å; F36-Y98 HydrophobicContact CE1-CE1 3.94Å; F36-Y98 AromaticContact CZ-CD1 3.94Å; F36-Y98 HydrophobicContact CZ-CD1 3.94Å; F36-Y98 HydrophobicContact CZ-CE1 4.4Å; F36-V99 HydrophobicContact CE1-CG2 3.62Å; F36-V99 HydrophobicContact CZ-CG2 4.11Å; F36-Y102 HydrophobicContact CD1-CE1 4.27Å; F36-Y102 HydrophobicContact CD1-CE2 4.06Å; F36-Y102 AromaticContact CD1-CZ 3.86Å; F36-Y102 HydrophobicContact CE1-CE2 4.35Å
37C96.3Very high93Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-58.3-44.6174.4-59.50000111.9G33 L34 I40 H41 I48 Y50 L53G33-C37 PolarHBondContact O-N 2.94Å; G33-C37 VanDerWaalsContact O-N 3.11Å; L34-C37 PolarHBondContact O-N 2.81Å; C37-I40 PolarHBondContact O-N 2.8Å; C37-H41 WeakPolarHBondContact O-CB 3.5Å; C37-H41 PolarHBondContact O-N 3.31Å; C37-I48 HydrophobicContact CB-CD1 4.2Å; C37-I48 HydrophobicContact CB-CG2 4.42Å; C37-Y50 HydrophobicContact CB-CD2 4.03Å; C37-Y50 HydrophobicContact CB-CE2 4.02Å; C37-L53 HydrophobicContact CB-CD1 3.59Å
38A96.8Very high93.2Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-64.1-40.5177.100000112.3C15 Y18 V21 L34 F36 I40 K42 Y50C15-A38 HydrophobicContact CB-CB 4.31Å; Y18-A38 HydrophobicContact CD1-CB 3.84Å; Y18-A38 HydrophobicContact CD2-CB 3.86Å; Y18-A38 HydrophobicContact CE1-CB 4.12Å; Y18-A38 HydrophobicContact CE2-CB 4.09Å; Y18-A38 HydrophobicContact CG-CB 3.7Å; Y18-A38 PolarHBondContact OH-O 3.15Å; V21-A38 HydrophobicContact CG2-CB 4.4Å; L34-A38 VanDerWaalsContact O-CB 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.41Å; L34-A38 PolarHBondContact O-N 2.92Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 3.3Å; A38-I40 VanDerWaalsContact C-N 3.33Å; A38-I40 PolarHBondContact O-N 3.47Å; A38-K42 VanDerWaalsContact O-CB 3.26Å; A38-K42 WeakPolarHBondContact O-CB 3.48Å; A38-K42 PolarHBondContact O-N 3.49Å; A38-Y50 HydrophobicContact CB-CE2 3.82Å
39L94.6Very high93.4Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-60-41.6173.5-75.9178.2000112.1W10 Q14 F30 A35 F36 Y43 Y102W10-L39 HydrophobicContact CH2-CD1 4.36Å; W10-L39 HydrophobicContact CH2-CD2 3.74Å; W10-L39 HydrophobicContact CZ2-CD2 4.28Å; W10-L39 HydrophobicContact CZ3-CD1 4.23Å; W10-L39 HydrophobicContact CZ3-CD2 3.96Å; Q14-L39 HydrophobicContact CB-CD2 3.57Å; Q14-L39 HydrophobicContact CG-CD2 4.1Å; F30-L39 HydrophobicContact CE1-CD1 4.26Å; A35-L39 WeakPolarHBondContact O-CG 3.26Å; A35-L39 PolarHBondContact O-N 3Å; A35-L39 VanDerWaalsContact O-N 3.14Å; F36-L39 PolarHBondContact O-N 3.29Å; L39-Y43 WeakPolarHBondContact O-CD2 3.42Å; L39-Y102 HydrophobicContact CB-CD1 4.2Å; L39-Y102 HydrophobicContact CD1-CD1 4.29Å; L39-Y102 HydrophobicContact CD1-CG 4.47Å
40I91.6Very high93.4Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-68.3-54.8177.3-64.8162.9000110.2F36 C37 A38 K42 Y43 R44 L47 I48 A65 V68 A69 L73 Y102F36-I40 WeakPolarHBondContact O-CG1 3.24Å; F36-I40 PolarHBondContact O-N 2.84Å; C37-I40 PolarHBondContact O-N 2.8Å; A38-I40 VanDerWaalsContact C-N 3.33Å; A38-I40 PolarHBondContact O-N 3.47Å; I40-K42 PolarHBondContact O-N 2.96Å; I40-Y43 PolarHBondContact O-N 3.33Å; I40-Y43 VanDerWaalsContact O-N 3.09Å; I40-R44 PolarHBondContact O-N 3.41Å; I40-L47 HydrophobicContact CG2-CB 4.38Å; I40-I48 HydrophobicContact CB-CD1 3.86Å; I40-I48 HydrophobicContact CD1-CD1 3.79Å; I40-I48 HydrophobicContact CG1-CD1 4.44Å; I40-I48 HydrophobicContact CG2-CD1 3.77Å; I40-I48 HydrophobicContact CG2-CG1 4.15Å; I40-A65 HydrophobicContact CD1-CB 4.25Å; I40-A65 WeakPolarHBondContact CD1-O 3.42Å; I40-V68 HydrophobicContact CD1-CG1 4.45Å; I40-V68 HydrophobicContact CG2-CG1 4.01Å; I40-A69 HydrophobicContact CD1-CB 4.13Å; I40-L73 HydrophobicContact CG1-CD1 4.26Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; I40-Y102 HydrophobicContact CD1-CE1 4.17Å; I40-Y102 HydrophobicContact CG1-CE1 3.91Å
41H95.1Very high93.4Very high47 Ų4740.1 Ų40.122%0.21820%0.195CC..Hα-helixtrans-58.3-33.2-176.6-176.6-94.2000112.7Y18 C37 Y43 R44 P45 I48Y18-H41 HydrophobicContact CE1-CB 4.24Å; Y18-H41 AromaticContact CE1-ND1 3.39Å; Y18-H41 WeakPolarHBondContact CE1-ND1 3.34Å; Y18-H41 AromaticContact CZ-ND1 3.56Å; Y18-H41 PolarHBondContact OH-ND1 2.91Å; C37-H41 WeakPolarHBondContact O-CB 3.5Å; C37-H41 PolarHBondContact O-N 3.31Å; H41-Y43 PolarHBondContact O-N 2.91Å; H41-Y43 VanDerWaalsContact O-N 3.16Å; H41-R44 CarbonylContact O-C 3.51Å; H41-R44 PolarHBondContact O-N 3.34Å; H41-P45 WeakPolarHBondContact CD2-CA 3.47Å; H41-P45 WeakPolarHBondContact NE2-CB 3.3Å; H41-P45 WeakPolarHBondContact O-CA 3.25Å; H41-P45 WeakPolarHBondContact O-CD 3.44Å; H41-I48 PolarHBondContact CD2-O 2.96Å
42K92.4Very high93.4Very high86 Ų8639.8 Ų39.837%0.37420%0.204SC..THydrogen-bonded Turntrans-63.1-22.6179.6-170.154.3155.2-92.60113.8Q14 D16 Y18 A38 I40Q14-K42 HydrophobicContact CB-CG 4.42Å; Q14-K42 WeakPolarHBondContact O-CG 3.4Å; Q14-K42 PolarHBondContact O-NZ 3.33Å; D16-K42 PolarHBondContact O-NZ 2.91Å; Y18-K42 HydrophobicContact CE2-CB 4.16Å; Y18-K42 HydrophobicContact CE2-CD 4.15Å; Y18-K42 WeakPolarHBondContact OH-CA 3.41Å; Y18-K42 PolarHBondContact OH-N 3.45Å; A38-K42 VanDerWaalsContact O-CB 3.26Å; A38-K42 WeakPolarHBondContact O-CB 3.48Å; A38-K42 PolarHBondContact O-N 3.49Å; I40-K42 PolarHBondContact O-N 2.96Å
43Y87.6Confident93.5Very high69 Ų6939.5 Ų39.527%0.27120%0.202SC..THydrogen-bonded Turntrans-116.3-23.3178.1-67.1-86.8000113.6W10 Q14 L39 I40 H41 F106W10-Y43 HydrophobicContact CZ2-CE2 4.19Å; W10-Y43 PolarHBondContact NE1-OH 3.14Å; Q14-Y43 HydrophobicContact CG-CE2 4.07Å; Q14-Y43 PolarHBondContact OE1-OH 3.3Å; Q14-Y43 VanDerWaalsContact OE1-OH 3.07Å; L39-Y43 WeakPolarHBondContact O-CD2 3.42Å; I40-Y43 PolarHBondContact O-N 3.33Å; I40-Y43 VanDerWaalsContact O-N 3.09Å; H41-Y43 PolarHBondContact O-N 2.91Å; H41-Y43 VanDerWaalsContact O-N 3.16Å; Y43-F106 HydrophobicContact CD1-CB 4.12Å; Y43-F106 AromaticContact CD1-CD1 3.89Å; Y43-F106 HydrophobicContact CD1-CD1 3.89Å; Y43-F106 HydrophobicContact CD1-CG 4.23Å; Y43-F106 HydrophobicContact CD2-CB 3.77Å; Y43-F106 AromaticContact CD2-CD1 3.48Å; Y43-F106 HydrophobicContact CD2-CD1 3.48Å; Y43-F106 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F106 AromaticContact CD2-CD2 3.72Å; Y43-F106 HydrophobicContact CD2-CD2 3.72Å; Y43-F106 AromaticContact CD2-CE1 3.93Å; Y43-F106 HydrophobicContact CD2-CE1 3.93Å; Y43-F106 HydrophobicContact CD2-CE2 4.11Å; Y43-F106 AromaticContact CD2-CG 3.38Å; Y43-F106 HydrophobicContact CD2-CG 3.38Å; Y43-F106 HydrophobicContact CD2-CZ 4.2Å; Y43-F106 HydrophobicContact CE1-CB 3.87Å; Y43-F106 HydrophobicContact CE1-CG 4.43Å; Y43-F106 HydrophobicContact CE2-CB 3.5Å; Y43-F106 HydrophobicContact CE2-CD1 4.16Å; Y43-F106 AromaticContact CE2-CD2 3.95Å; Y43-F106 HydrophobicContact CE2-CD2 3.95Å; Y43-F106 AromaticContact CE2-CG 3.63Å; Y43-F106 HydrophobicContact CE2-CG 3.63Å; Y43-F106 HydrophobicContact CG-CB 4.06Å; Y43-F106 AromaticContact CG-CD1 3.32Å; Y43-F106 HydrophobicContact CG-CD1 3.32Å; Y43-F106 HydrophobicContact CG-CD2 4.42Å; Y43-F106 AromaticContact CG-CE1 3.78Å; Y43-F106 HydrophobicContact CG-CE1 3.78Å; Y43-F106 AromaticContact CG-CG 3.7Å; Y43-F106 HydrophobicContact CG-CG 3.7Å; Y43-F106 HydrophobicContact CG-CZ 4.46Å
44R87Confident93.6Very high91 Ų9145.3 Ų45.334%0.34323%0.228SC..  trans-142.976-179.9-71.6-62.3-62.6-85.61.6110.3I40 H41 D46 L47 L73I40-R44 PolarHBondContact O-N 3.41Å; H41-R44 CarbonylContact O-C 3.51Å; H41-R44 PolarHBondContact O-N 3.34Å; R44-D46 WeakPolarHBondContact CA-OD1 3.37Å; R44-D46 IonicContact CZ-OD1 2.68Å; R44-D46 IonicContact CZ-OD2 3.58Å; R44-D46 IonicContact NE-OD1 3.84Å; R44-D46 PolarHBondContact NE-OD1 3.41Å; R44-D46 IonicContact NE-OD2 2.74Å; R44-D46 PolarHBondContact NE-OD2 2.78Å; R44-D46 IonicContact NH2-OD1 2.66Å; R44-D46 IonicContact NH2-OD2 2.69Å; R44-D46 PolarHBondContact NH2-OD2 3.27Å; R44-D46 PolarHBondContact O-N 3.4Å; R44-L47 HydrophobicContact CB-CB 4.49Å; R44-L47 HydrophobicContact CB-CD1 3.62Å; R44-L47 HydrophobicContact CB-CG 3.91Å; R44-L47 HydrophobicContact CG-CD1 4.06Å; R44-L47 PolarHBondContact O-N 3.43Å; R44-L73 HydrophobicContact CG-CD2 4.16Å
45P91.2Very high93.5Very high75 Ų7550 Ų5049%0.48725%0.248SC..G310 helixtrans-67.9-18.6-179.229.2-35.4000112.7H41 L47H41-P45 WeakPolarHBondContact CD2-CA 3.47Å; H41-P45 WeakPolarHBondContact NE2-CB 3.3Å; H41-P45 WeakPolarHBondContact O-CA 3.25Å; H41-P45 WeakPolarHBondContact O-CD 3.44Å; P45-L47 PolarHBondContact O-N 3.28Å
46D90.9Very high93.3Very high103 Ų10356.6 Ų56.655%0.55128%0.279SS*.G310 helixtrans-68.2-8.7175.660.7-63.9000114.7R44R44-D46 WeakPolarHBondContact CA-OD1 3.37Å; R44-D46 IonicContact CZ-OD1 2.68Å; R44-D46 IonicContact CZ-OD2 3.58Å; R44-D46 IonicContact NE-OD1 3.84Å; R44-D46 PolarHBondContact NE-OD1 3.41Å; R44-D46 IonicContact NE-OD2 2.74Å; R44-D46 PolarHBondContact NE-OD2 2.78Å; R44-D46 IonicContact NH2-OD1 2.66Å; R44-D46 IonicContact NH2-OD2 2.69Å; R44-D46 PolarHBondContact NH2-OD2 3.27Å; R44-D46 PolarHBondContact O-N 3.4Å
47L87.6Confident93.2Very high37 Ų3760 Ų6019%0.19430%0.297CS..G310 helixtrans-105.2-14.6-173.9-61.1-178.3000115.2I40 R44 P45 V68 K72 L73I40-L47 HydrophobicContact CG2-CB 4.38Å; R44-L47 HydrophobicContact CB-CB 4.49Å; R44-L47 HydrophobicContact CB-CD1 3.62Å; R44-L47 HydrophobicContact CB-CG 3.91Å; R44-L47 HydrophobicContact CG-CD1 4.06Å; R44-L47 PolarHBondContact O-N 3.43Å; P45-L47 PolarHBondContact O-N 3.28Å; L47-V68 HydrophobicContact CB-CG1 3.76Å; L47-V68 HydrophobicContact CD1-CG1 4.18Å; L47-K72 HydrophobicContact CD1-CB 3.77Å; L47-K72 HydrophobicContact CD1-CG 4.48Å; L47-K72 HydrophobicContact CD2-CB 4.13Å; L47-K72 HydrophobicContact CD2-CG 4.15Å; L47-L73 HydrophobicContact CD1-CD2 3.81Å; L47-L73 HydrophobicContact CD1-CG 4.45Å
48I93.9Very high92.9Very high7 Ų761 Ų614%0.03630%0.303CS..  trans-146.8121.7-177.6-62.3-174.8000109C37 I40 H41 Y50 L53 L64 V68C37-I48 HydrophobicContact CB-CD1 4.2Å; C37-I48 HydrophobicContact CB-CG2 4.42Å; I40-I48 HydrophobicContact CB-CD1 3.86Å; I40-I48 HydrophobicContact CD1-CD1 3.79Å; I40-I48 HydrophobicContact CG1-CD1 4.44Å; I40-I48 HydrophobicContact CG2-CD1 3.77Å; I40-I48 HydrophobicContact CG2-CG1 4.15Å; H41-I48 PolarHBondContact CD2-O 2.96Å; I48-Y50 PolarHBondContact O-N 2.76Å; I48-L53 HydrophobicContact CG2-CD1 3.84Å; I48-L64 HydrophobicContact CG2-CD2 4.22Å; I48-V68 HydrophobicContact CD1-CG1 4.35Å; I48-V68 HydrophobicContact CG1-CG1 4.15Å; I48-V68 HydrophobicContact CG1-CG2 4.36Å
49D94.6Very high92.7Very high107 Ų10763.8 Ų63.857%0.57232%0.316SS*.  trans-72.193.6163.4177.3-12.4000108.7D51 S52D49-D51 PolarHBondContact OD1-N 3.49Å; D49-S52 PolarHBondContact O-OG 3.03Å; D49-S52 PolarHBondContact OD1-N 3.37Å
50Y95.8Very high92.6Very high7 Ų768 Ų683%0.02734%0.335CS..SBendtrans-69.4-34.9-176.5-171.8-83.2000112.6Y18 R19 V21 C37 A38 I48 S52 L53Y18-Y50 AromaticContact CD1-CD1 3.78Å; Y18-Y50 HydrophobicContact CD1-CD1 3.78Å; Y18-Y50 AromaticContact CD1-CD2 3.98Å; Y18-Y50 HydrophobicContact CD1-CD2 3.98Å; Y18-Y50 AromaticContact CD1-CE1 3.65Å; Y18-Y50 HydrophobicContact CD1-CE1 3.65Å; Y18-Y50 AromaticContact CD1-CE2 3.84Å; Y18-Y50 HydrophobicContact CD1-CE2 3.84Å; Y18-Y50 AromaticContact CD1-CG 3.96Å; Y18-Y50 HydrophobicContact CD1-CG 3.96Å; Y18-Y50 AromaticContact CD1-CZ 3.69Å; Y18-Y50 HydrophobicContact CE1-CD1 4.21Å; Y18-Y50 HydrophobicContact CE1-CD2 4.04Å; Y18-Y50 HydrophobicContact CE1-CE1 4.49Å; Y18-Y50 HydrophobicContact CE1-CE2 4.31Å; Y18-Y50 AromaticContact CE1-CG 4Å; Y18-Y50 HydrophobicContact CE1-CG 4Å; R19-Y50 HydrophobicContact CB-CE1 4.43Å; R19-Y50 PolarHBondContact O-OH 3.28Å; V21-Y50 WeakPolarHBondContact CG2-OH 3.38Å; C37-Y50 HydrophobicContact CB-CD2 4.03Å; C37-Y50 HydrophobicContact CB-CE2 4.02Å; A38-Y50 HydrophobicContact CB-CE2 3.82Å; I48-Y50 PolarHBondContact O-N 2.76Å; Y50-S52 PolarHBondContact O-N 3.02Å; Y50-L53 HydrophobicContact CD2-CD1 4.17Å; Y50-L53 WeakPolarHBondContact O-CB 3.33Å; Y50-L53 PolarHBondContact O-N 3.26Å
51D94.3Very high92.8Very high118 Ų11868.1 Ų68.163%0.63134%0.336SS*.THydrogen-bonded Turntrans-69-26.2-174.3-76-45.7000112.3R19 D49 L53R19-D51 PolarHBondContact NH1-O 2.98Å; R19-D51 PolarHBondContact NH2-O 2.8Å; D49-D51 PolarHBondContact OD1-N 3.49Å; D51-L53 VanDerWaalsContact C-N 3.3Å; D51-L53 PolarHBondContact O-N 3.11Å
52S95.2Very high92.6Very high66 Ų6665.9 Ų65.946%0.46233%0.326SS..THydrogen-bonded Turntrans-64.8-26.6170.477.30000114.6D49 Y50D49-S52 PolarHBondContact O-OG 3.03Å; D49-S52 PolarHBondContact OD1-N 3.37Å; Y50-S52 PolarHBondContact O-N 3.02Å
53L95.6Very high92.3Very high15 Ų1565.8 Ų65.88%0.07932%0.323CS..  trans-79138.8-168.3-54.5-179.3000113R19 L34 C37 I48 Y50 D51 L64R19-L53 PolarHBondContact NH2-O 3.08Å; L34-L53 HydrophobicContact CD2-CB 3.57Å; L34-L53 HydrophobicContact CD2-CD1 4.14Å; C37-L53 HydrophobicContact CB-CD1 3.59Å; I48-L53 HydrophobicContact CG2-CD1 3.84Å; Y50-L53 HydrophobicContact CD2-CD1 4.17Å; Y50-L53 WeakPolarHBondContact O-CB 3.33Å; Y50-L53 PolarHBondContact O-N 3.26Å; D51-L53 VanDerWaalsContact C-N 3.3Å; D51-L53 PolarHBondContact O-N 3.11Å; L53-L64 HydrophobicContact CD2-CD2 3.9Å
54K94.7Very high92.5Very high122 Ų12265.2 Ų65.253%0.5332%0.324SS..  trans-117.4154.3179.8-54.8170.2-165.3152.90110.8E56 D57 N61K54-E56 PolarHBondContact O-N 3.28Å; K54-D57 WeakPolarHBondContact CB-OD2 3.08Å; K54-D57 PolarHBondContact O-N 2.75Å; K54-N61 PolarHBondContact O-ND2 3.23Å
55K94.3Very high92.7Very high99 Ų9960.9 Ų60.943%0.4331%0.308SS..THydrogen-bonded Turntrans-70.6-22.1-175.9170.5172.5177.9179.40113.2D20 L34D20-K55 HydrophobicContact CB-CB 4.33Å; D20-K55 HydrophobicContact CB-CD 4.28Å; L34-K55 HydrophobicContact CD1-CB 4.08Å
56E93.6Very high92.5Very high139 Ų13957.4 Ų57.465%0.6529%0.285SS*.THydrogen-bonded Turntrans-80.4-28.8-175.9-65.258.6-127.700111.7K54 V58K54-E56 PolarHBondContact O-N 3.28Å; E56-V58 PolarHBondContact O-N 3.23Å
57D93.4Very high91.9Very high71 Ų7155.7 Ų55.738%0.3827%0.273SS..  trans-80.647.8-175.2-62.5-39.9000112.1K54 F59 E60 N61K54-D57 WeakPolarHBondContact CB-OD2 3.08Å; K54-D57 PolarHBondContact O-N 2.75Å; D57-F59 VanDerWaalsContact C-N 3.28Å; D57-F59 PolarHBondContact O-N 3.03Å; D57-F59 VanDerWaalsContact O-N 3.15Å; D57-E60 HydrophobicContact CB-CB 4.48Å; D57-E60 PolarHBondContact O-N 3.12Å; D57-N61 VanDerWaalsContact O-CG 3.26Å; D57-N61 PolarHBondContact O-N 3.15Å; D57-N61 PolarHBondContact O-ND2 3.49Å
58V91.4Very high91.5Very high22 Ų2254.6 Ų54.613%0.13327%0.268CS..Hα-helixtrans-50.1-43.3-171.7177.10000112.8R31 N32 E56 N62 V85R31-V58 WeakPolarHBondContact O-CG1 3.47Å; N32-V58 HydrophobicContact CB-CG2 4.44Å; E56-V58 PolarHBondContact O-N 3.23Å; V58-N62 PolarHBondContact O-N 3.38Å; V58-N62 PolarHBondContact O-ND2 3.29Å; V58-V85 HydrophobicContact CB-CG2 4.27Å; V58-V85 HydrophobicContact CG1-CG2 3.84Å
59F91.1Very high90.6Very high59 Ų5954.2 Ų54.226%0.25927%0.267SS..Hα-helixtrans-67.1-54.1-179.5-178.3-119000112D57 N61 N62 R63 A81 E82 V85D57-F59 VanDerWaalsContact C-N 3.28Å; D57-F59 PolarHBondContact O-N 3.03Å; D57-F59 VanDerWaalsContact O-N 3.15Å; F59-N61 PolarHBondContact O-N 2.99Å; F59-N62 PolarHBondContact O-N 2.84Å; F59-R63 VanDerWaalsContact CE1-NH1 3.34Å; F59-R63 WeakPolarHBondContact O-CB 3.19Å; F59-R63 PolarHBondContact O-N 3.11Å; F59-A81 HydrophobicContact CD2-CB 3.7Å; F59-A81 HydrophobicContact CE2-CB 3.65Å; F59-E82 WeakPolarHBondContact CE2-OE1 3.37Å; F59-V85 HydrophobicContact CB-CG2 3.74Å; F59-V85 HydrophobicContact CD2-CG2 4.22Å; F59-V85 HydrophobicContact CG-CG2 4.46Å
60E93.3Very high89.2Confident88 Ų8849.5 Ų49.541%0.41124%0.241SC..Hα-helixtrans-62.8-43.1-175.9-62.5-62.9124.700111.4D57 N62 R63 L64D57-E60 HydrophobicContact CB-CB 4.48Å; D57-E60 PolarHBondContact O-N 3.12Å; E60-N62 PolarHBondContact O-N 3.46Å; E60-R63 PolarHBondContact O-N 2.97Å; E60-R63 IonicContact OE1-CZ 3.46Å; E60-R63 IonicContact OE1-NH1 3.55Å; E60-R63 PolarHBondContact OE1-NH1 3.24Å; E60-R63 IonicContact OE1-NH2 2.7Å; E60-R63 IonicContact OE2-CZ 2.66Å; E60-R63 VanDerWaalsContact OE2-CZ 3.28Å; E60-R63 IonicContact OE2-NH1 3.85Å; E60-R63 PolarHBondContact OE2-NH1 3.05Å; E60-R63 VanDerWaalsContact OE2-NH1 3.12Å; E60-R63 IonicContact OE2-NH2 3.66Å; E60-R63 PolarHBondContact OE2-NH2 2.93Å; E60-L64 WeakPolarHBondContact O-CB 2.97Å; E60-L64 PolarHBondContact O-N 3.45Å
61N95.4Very high87.8Confident3 Ų352.7 Ų52.72%0.01626%0.256CS..Hα-helixtrans-59.7-46.7177.3-67.4-22.6000112.2N32 L34 K54 D57 F59 A65N32-N61 VanDerWaalsContact O-CB 3.26Å; N32-N61 WeakPolarHBondContact O-CB 3.39Å; N32-N61 PolarHBondContact O-ND2 3.19Å; L34-N61 WeakPolarHBondContact CD2-ND2 3.37Å; K54-N61 PolarHBondContact O-ND2 3.23Å; D57-N61 VanDerWaalsContact O-CG 3.26Å; D57-N61 PolarHBondContact O-N 3.15Å; D57-N61 PolarHBondContact O-ND2 3.49Å; F59-N61 PolarHBondContact O-N 2.99Å; N61-A65 VanDerWaalsContact O-CB 3.29Å; N61-A65 WeakPolarHBondContact O-CB 3.42Å; N61-A65 PolarHBondContact O-N 3.24Å
62N90.7Very high86.8Confident0 Ų052.2 Ų52.20%025%0.248CC..Hα-helixtrans-67.4-46.5178.5-78.3-71.7000110.7R31 G33 V58 F59 E60 L64 A65 F66 A81 M84R31-N62 PolarHBondContact O-ND2 3.23Å; G33-N62 WeakPolarHBondContact CA-OD1 3.31Å; G33-N62 PolarHBondContact N-ND2 3.22Å; V58-N62 PolarHBondContact O-N 3.38Å; V58-N62 PolarHBondContact O-ND2 3.29Å; F59-N62 PolarHBondContact O-N 2.84Å; E60-N62 PolarHBondContact O-N 3.46Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 3.37Å; N62-A65 PolarHBondContact O-N 2.87Å; N62-F66 HydrophobicContact CB-CD2 4.42Å; N62-F66 HydrophobicContact CB-CE1 4.43Å; N62-F66 HydrophobicContact CB-CE2 3.77Å; N62-F66 HydrophobicContact CB-CZ 3.78Å; N62-F66 WeakPolarHBondContact O-CB 3.41Å; N62-F66 WeakPolarHBondContact O-CD1 3.46Å; N62-F66 VanDerWaalsContact O-CD2 3.29Å; N62-F66 WeakPolarHBondContact O-CD2 3.32Å; N62-F66 WeakPolarHBondContact O-CG 3.26Å; N62-F66 PolarHBondContact O-N 3.11Å; N62-F66 VanDerWaalsContact OD1-CZ 3.27Å; N62-F66 WeakPolarHBondContact OD1-CZ 3.04Å; N62-A81 HydrophobicContact CB-CB 4.03Å; N62-M84 VanDerWaalsContact OD1-CE 3.27Å; N62-M84 WeakPolarHBondContact OD1-CE 3.16Å
63R87.8Confident85.4Confident83 Ų8349.5 Ų49.531%0.31323%0.229SC..Hα-helixtrans-58.3-46.1177.8-164.7-17573.7-118.2-7.4111.4F59 E60 Q67 A81F59-R63 VanDerWaalsContact CE1-NH1 3.34Å; F59-R63 WeakPolarHBondContact O-CB 3.19Å; F59-R63 PolarHBondContact O-N 3.11Å; E60-R63 PolarHBondContact O-N 2.97Å; E60-R63 IonicContact OE1-CZ 3.46Å; E60-R63 IonicContact OE1-NH1 3.55Å; E60-R63 PolarHBondContact OE1-NH1 3.24Å; E60-R63 IonicContact OE1-NH2 2.7Å; E60-R63 IonicContact OE2-CZ 2.66Å; E60-R63 VanDerWaalsContact OE2-CZ 3.28Å; E60-R63 IonicContact OE2-NH1 3.85Å; E60-R63 PolarHBondContact OE2-NH1 3.05Å; E60-R63 VanDerWaalsContact OE2-NH1 3.12Å; E60-R63 IonicContact OE2-NH2 3.66Å; E60-R63 PolarHBondContact OE2-NH2 2.93Å; R63-Q67 WeakPolarHBondContact O-CB 3.48Å; R63-Q67 PolarHBondContact O-N 3.08Å; R63-A81 HydrophobicContact CB-CB 4.2Å
64L92Very high83.6Confident57 Ų5750.1 Ų50.130%0.29824%0.238SC..Hα-helixtrans-60.6-50.7176.517864.8000111.5I48 L53 E60 N62 F66 Q67 V68I48-L64 HydrophobicContact CG2-CD2 4.22Å; L53-L64 HydrophobicContact CD2-CD2 3.9Å; E60-L64 WeakPolarHBondContact O-CB 2.97Å; E60-L64 PolarHBondContact O-N 3.45Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 3.37Å; L64-F66 PolarHBondContact O-N 3.44Å; L64-Q67 PolarHBondContact O-N 2.66Å; L64-V68 HydrophobicContact CD1-CG2 3.8Å; L64-V68 HydrophobicContact CG-CG2 4.41Å; L64-V68 WeakPolarHBondContact O-CB 3.05Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 2.86Å
65A91.2Very high82.2Confident0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-59.3-46.2-179.500000112F36 I40 N61 N62 A69F36-A65 HydrophobicContact CB-CB 3.6Å; I40-A65 HydrophobicContact CD1-CB 4.25Å; I40-A65 WeakPolarHBondContact CD1-O 3.42Å; N61-A65 VanDerWaalsContact O-CB 3.29Å; N61-A65 WeakPolarHBondContact O-CB 3.42Å; N61-A65 PolarHBondContact O-N 3.24Å; N62-A65 PolarHBondContact O-N 2.87Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 3.28Å
66F86Confident80.5Confident3 Ų341.4 Ų41.41%0.01321%0.205CC..Hα-helixtrans-70.2-41.1-177.6-54.8-15.1000111.2F36 N62 L64 E70 A77 L79 M84 Y98 T297F36-F66 AromaticContact CD2-CE1 3.8Å; F36-F66 HydrophobicContact CD2-CE1 3.8Å; F36-F66 HydrophobicContact CD2-CZ 4.45Å; F36-F66 AromaticContact CE2-CE1 3.9Å; F36-F66 HydrophobicContact CE2-CE1 3.9Å; F36-F66 HydrophobicContact CE2-CZ 4.27Å; F36-F66 HydrophobicContact CG-CE1 4.14Å; F36-F66 HydrophobicContact CZ-CE1 4.35Å; N62-F66 HydrophobicContact CB-CD2 4.42Å; N62-F66 HydrophobicContact CB-CE1 4.43Å; N62-F66 HydrophobicContact CB-CE2 3.77Å; N62-F66 HydrophobicContact CB-CZ 3.78Å; N62-F66 WeakPolarHBondContact O-CB 3.41Å; N62-F66 WeakPolarHBondContact O-CD1 3.46Å; N62-F66 VanDerWaalsContact O-CD2 3.29Å; N62-F66 WeakPolarHBondContact O-CD2 3.32Å; N62-F66 WeakPolarHBondContact O-CG 3.26Å; N62-F66 PolarHBondContact O-N 3.11Å; N62-F66 VanDerWaalsContact OD1-CZ 3.27Å; N62-F66 WeakPolarHBondContact OD1-CZ 3.04Å; L64-F66 PolarHBondContact O-N 3.44Å; F66-E70 WeakPolarHBondContact O-CB 3.24Å; F66-E70 PolarHBondContact O-N 3.42Å; F66-A77 HydrophobicContact CB-CB 3.99Å; F66-L79 WeakPolarHBondContact CD2-O 3.36Å; F66-L79 HydrophobicContact CE2-CB 3.81Å; F66-L79 WeakPolarHBondContact CE2-O 3.32Å; F66-L79 HydrophobicContact CZ-CB 3.84Å; F66-L79 HydrophobicContact CZ-CD1 4.14Å; F66-M84 HydrophobicContact CE2-CG 4.44Å; F66-M84 HydrophobicContact CZ-CG 4.29Å; F66-Y98 AromaticContact CD1-CE1 3.56Å; F66-Y98 HydrophobicContact CD1-CE1 3.56Å; F66-Y98 HydrophobicContact CE1-CD1 4.4Å; F66-Y98 AromaticContact CE1-CE1 3.63Å; F66-Y98 HydrophobicContact CE1-CE1 3.63Å; F66-Y98 HydrophobicContact CG-CE1 4.4Å; F66-Y98 HydrophobicContact CZ-CE1 4.49Å; F66-T297 HydrophobicContact CB-CG2 4.37Å
67Q77.4Confident79.2Confident66 Ų6635.2 Ų35.231%0.30818%0.177SC..Hα-helixtrans-63.4-46.9175.5-176.9177.70.100112.1R63 L64 E70 E71R63-Q67 WeakPolarHBondContact O-CB 3.48Å; R63-Q67 PolarHBondContact O-N 3.08Å; L64-Q67 PolarHBondContact O-N 2.66Å; Q67-E70 PolarHBondContact O-N 3.46Å; Q67-E71 HydrophobicContact CG-CG 4.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.21Å; Q67-E71 PolarHBondContact NE2-OE1 2.78Å; Q67-E71 WeakPolarHBondContact O-CB 3.5Å; Q67-E71 WeakPolarHBondContact O-CG 3.43Å; Q67-E71 PolarHBondContact O-N 3.15Å
68V79.5Confident78Confident14 Ų1435.2 Ų35.29%0.08518%0.177CC..Hα-helixtrans-67.8-42.6179.5170.90000111.3I40 L47 I48 L64 E70 K72I40-V68 HydrophobicContact CD1-CG1 4.45Å; I40-V68 HydrophobicContact CG2-CG1 4.01Å; L47-V68 HydrophobicContact CB-CG1 3.76Å; L47-V68 HydrophobicContact CD1-CG1 4.18Å; I48-V68 HydrophobicContact CD1-CG1 4.35Å; I48-V68 HydrophobicContact CG1-CG1 4.15Å; I48-V68 HydrophobicContact CG1-CG2 4.36Å; L64-V68 HydrophobicContact CD1-CG2 3.8Å; L64-V68 HydrophobicContact CG-CG2 4.41Å; L64-V68 WeakPolarHBondContact O-CB 3.05Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 2.86Å; V68-E70 VanDerWaalsContact C-N 3.27Å; V68-E70 PolarHBondContact O-N 3.33Å; V68-K72 HydrophobicContact CG1-CB 4.46Å; V68-K72 HydrophobicContact CG1-CG 4.28Å; V68-K72 VanDerWaalsContact O-CB 3.3Å; V68-K72 WeakPolarHBondContact O-CB 3.24Å; V68-K72 PolarHBondContact O-N 3.5Å
69A76Confident77.3Confident0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-59.8-39.3176.200000111.5I40 A65 L73 G74 I75 Y102I40-A69 HydrophobicContact CD1-CB 4.13Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 3.28Å; A69-L73 CarbonylContact O-C 3.57Å; A69-L73 WeakPolarHBondContact O-CA 3.27Å; A69-L73 VanDerWaalsContact O-CB 3.25Å; A69-L73 WeakPolarHBondContact O-CB 3.23Å; A69-L73 PolarHBondContact O-N 2.92Å; A69-G74 PolarHBondContact O-N 3.47Å; A69-I75 HydrophobicContact CB-CB 4.19Å; A69-I75 PolarHBondContact O-N 2.92Å; A69-Y102 HydrophobicContact CB-CE1 4.12Å; A69-Y102 VanDerWaalsContact CB-OH 3.26Å; A69-Y102 WeakPolarHBondContact CB-OH 3.17Å
70E64.3Low76.6Confident8 Ų832.8 Ų32.84%0.03717%0.166CC..Hα-helixtrans-80.1-52.2-179.6-155.5-177.7136.500112.9F66 Q67 V68 K72 G74 I75 A77 T297 S299 A300F66-E70 WeakPolarHBondContact O-CB 3.24Å; F66-E70 PolarHBondContact O-N 3.42Å; Q67-E70 PolarHBondContact O-N 3.46Å; V68-E70 VanDerWaalsContact C-N 3.27Å; V68-E70 PolarHBondContact O-N 3.33Å; E70-K72 PolarHBondContact O-N 3.27Å; E70-G74 VanDerWaalsContact O-CA 3.26Å; E70-G74 WeakPolarHBondContact O-CA 3.4Å; E70-G74 PolarHBondContact O-N 3.43Å; E70-I75 WeakPolarHBondContact CA-O 3.17Å; E70-I75 WeakPolarHBondContact CB-O 3.5Å; E70-A77 PolarHBondContact OE2-N 3.48Å; E70-T297 VanDerWaalsContact OE2-CB 3.3Å; E70-T297 WeakPolarHBondContact OE2-CB 3.45Å; E70-T297 PolarHBondContact OE2-OG1 2.85Å; E70-S299 WeakPolarHBondContact CG-OG 3.43Å; E70-S299 WeakPolarHBondContact OE1-CB 3.36Å; E70-S299 PolarHBondContact OE1-OG 2.86Å; E70-A300 WeakPolarHBondContact OE1-CA 3.26Å; E70-A300 PolarHBondContact OE1-N 3.5Å
71E66.3Low75.9Confident73 Ų7328.9 Ų28.934%0.34115%0.149SC..Hα-helixtrans-66.2-36.7-177.1-73.6-175.4-153.100114Q67 A298Q67-E71 HydrophobicContact CG-CG 4.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.21Å; Q67-E71 PolarHBondContact NE2-OE1 2.78Å; Q67-E71 WeakPolarHBondContact O-CB 3.5Å; Q67-E71 WeakPolarHBondContact O-CG 3.43Å; Q67-E71 PolarHBondContact O-N 3.15Å; E71-A298 HydrophobicContact CG-CB 4.45Å; E71-A298 WeakPolarHBondContact OE1-CB 3.16Å
72K72.9Confident75.1Confident108 Ų10831.9 Ų31.947%0.4716%0.163SC..Hα-helixtrans-109.2-22.1-167.7-48.2-54-170.6-136.90113.1L47 V68 E70L47-K72 HydrophobicContact CD1-CB 3.77Å; L47-K72 HydrophobicContact CD1-CG 4.48Å; L47-K72 HydrophobicContact CD2-CB 4.13Å; L47-K72 HydrophobicContact CD2-CG 4.15Å; V68-K72 HydrophobicContact CG1-CB 4.46Å; V68-K72 HydrophobicContact CG1-CG 4.28Å; V68-K72 VanDerWaalsContact O-CB 3.3Å; V68-K72 WeakPolarHBondContact O-CB 3.24Å; V68-K72 PolarHBondContact O-N 3.5Å; E70-K72 PolarHBondContact O-N 3.27Å
73L67.7Low74.4Confident10 Ų1032.5 Ų32.55%0.05217%0.166CC..Hα-helixtrans-116.1-14.7178-45.8177.4000113I40 R44 L47 A69 I75 Y105 F106I40-L73 HydrophobicContact CG1-CD1 4.26Å; I40-L73 HydrophobicContact CG2-CD1 4.36Å; R44-L73 HydrophobicContact CG-CD2 4.16Å; L47-L73 HydrophobicContact CD1-CD2 3.81Å; L47-L73 HydrophobicContact CD1-CG 4.45Å; A69-L73 CarbonylContact O-C 3.57Å; A69-L73 WeakPolarHBondContact O-CA 3.27Å; A69-L73 VanDerWaalsContact O-CB 3.25Å; A69-L73 WeakPolarHBondContact O-CB 3.23Å; A69-L73 PolarHBondContact O-N 2.92Å; L73-I75 HydrophobicContact CB-CD1 4.05Å; L73-I75 HydrophobicContact CB-CG1 4.06Å; L73-I75 HydrophobicContact CD1-CD1 4.09Å; L73-Y105 HydrophobicContact CB-CD1 4.47Å; L73-Y105 HydrophobicContact CB-CE1 3.94Å; L73-Y105 HydrophobicContact CB-CE2 4.1Å; L73-Y105 HydrophobicContact CD1-CE1 4.28Å; L73-Y105 HydrophobicContact CD2-CE1 3.92Å; L73-Y105 HydrophobicContact CG-CE1 4.27Å; L73-Y105 WeakPolarHBondContact O-CE2 3.47Å; L73-F106 HydrophobicContact CD1-CE1 4.12Å; L73-F106 HydrophobicContact CD1-CE2 4.35Å; L73-F106 HydrophobicContact CD1-CZ 3.5Å
74G55.9Low74.3Confident27 Ų2728.8 Ų28.828%0.27815%0.152SC..  trans72.626.6-178.500000114A69 E70 P76A69-G74 PolarHBondContact O-N 3.47Å; E70-G74 VanDerWaalsContact O-CA 3.26Å; E70-G74 WeakPolarHBondContact O-CA 3.4Å; E70-G74 PolarHBondContact O-N 3.43Å; G74-P76 WeakPolarHBondContact O-CD 3.41Å
75I66.8Low73.9Confident0 Ų029 Ų290%016%0.156CC..  trans-93.4105.2176.7-57.8173.6000108.3A69 E70 L73 A77 Y98 Q101 Y102 Y105A69-I75 HydrophobicContact CB-CB 4.19Å; A69-I75 PolarHBondContact O-N 2.92Å; E70-I75 WeakPolarHBondContact CA-O 3.17Å; E70-I75 WeakPolarHBondContact CB-O 3.5Å; L73-I75 HydrophobicContact CB-CD1 4.05Å; L73-I75 HydrophobicContact CB-CG1 4.06Å; L73-I75 HydrophobicContact CD1-CD1 4.09Å; I75-A77 PolarHBondContact O-N 3.27Å; I75-Y98 HydrophobicContact CG2-CE2 4.1Å; I75-Q101 HydrophobicContact CG2-CB 3.83Å; I75-Q101 VanDerWaalsContact CG2-OE1 3.31Å; I75-Y102 HydrophobicContact CD1-CD1 4.33Å; I75-Y102 HydrophobicContact CD1-CG 4.32Å; I75-Y102 HydrophobicContact CG2-CD2 4.2Å; I75-Y102 HydrophobicContact CG2-CE2 4.05Å; I75-Y105 HydrophobicContact CD1-CD1 4.19Å; I75-Y105 HydrophobicContact CD1-CD2 4.37Å; I75-Y105 HydrophobicContact CD1-CG 3.87Å; I75-Y105 HydrophobicContact CG1-CD2 4.14Å; I75-Y105 HydrophobicContact CG1-CG 4.13Å
76P58.2Low73.2Confident39 Ų3931.7 Ų31.725%0.25318%0.178SC..  trans-61.2123.6-175.9-22.134.6000111.5G74 L78 Y98 Q101G74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-L78 PolarHBondContact O-N 3.23Å; P76-Y98 VanDerWaalsContact O-CE2 3.28Å; P76-Y98 WeakPolarHBondContact O-CE2 3.34Å; P76-Q101 PolarHBondContact O-OE1 2.72Å
77A66.8Low72.7Confident9 Ų932.8 Ų32.87%0.07418%0.184CC..  trans-62.5138.3178.800000111.2F66 E70 I75 W296 T297F66-A77 HydrophobicContact CB-CB 3.99Å; E70-A77 PolarHBondContact OE2-N 3.48Å; I75-A77 PolarHBondContact O-N 3.27Å; A77-W296 HydrophobicContact CB-CH2 3.27Å; A77-W296 HydrophobicContact CB-CZ2 3.51Å; A77-W296 HydrophobicContact CB-CZ3 4.13Å; A77-W296 VanDerWaalsContact O-CZ2 3.29Å; A77-W296 WeakPolarHBondContact O-CZ2 3.03Å; A77-T297 HydrophobicContact CB-CG2 3.65Å
78L67.1Low72.8Confident71 Ų7138.1 Ų38.137%0.37221%0.206SC..  trans-120.6-2.1178.8-67.1-172.4000113.6P76 T97 Y98 Q101P76-L78 PolarHBondContact O-N 3.23Å; L78-T97 HydrophobicContact CD1-CG2 3.72Å; L78-Y98 HydrophobicContact CB-CD2 3.85Å; L78-Y98 HydrophobicContact CB-CG 4.17Å; L78-Y98 HydrophobicContact CD1-CD2 4.39Å; L78-Y98 HydrophobicContact CG-CD2 4Å; L78-Q101 VanDerWaalsContact CD1-NE2 3.28Å
79L76.8Confident72.9Confident13 Ų1342.8 Ų42.87%0.06823%0.229CC..SBendtrans-128.3129.5-174.2-54.5177.6000109.1F36 F66 M84 I95 Y98 W296F36-L79 HydrophobicContact CE2-CD1 4.3Å; F36-L79 HydrophobicContact CZ-CD1 3.8Å; F66-L79 WeakPolarHBondContact CD2-O 3.36Å; F66-L79 HydrophobicContact CE2-CB 3.81Å; F66-L79 WeakPolarHBondContact CE2-O 3.32Å; F66-L79 HydrophobicContact CZ-CB 3.84Å; F66-L79 HydrophobicContact CZ-CD1 4.14Å; L79-M84 HydrophobicContact CD1-SD 4.34Å; L79-I95 HydrophobicContact CD1-CD1 3.71Å; L79-Y98 HydrophobicContact CD1-CD1 3.51Å; L79-Y98 HydrophobicContact CD1-CE1 4.28Å; L79-Y98 HydrophobicContact CD1-CG 4.2Å; L79-Y98 HydrophobicContact CG-CD1 3.81Å; L79-Y98 HydrophobicContact CG-CG 4.16Å; L79-W296 VanDerWaalsContact O-CZ3 3.26Å; L79-W296 WeakPolarHBondContact O-CZ3 3.25Å
80D75.4Confident73.3Confident16 Ų1642.9 Ų42.99%0.08623%0.23CC..  trans-80.1136.7173.6-58.9-78.4000110.6E82 D83 M84 R197 F199 W296D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.13Å; D80-D83 HydrophobicContact CB-CB 4.48Å; D80-D83 PolarHBondContact O-N 3.12Å; D80-M84 WeakPolarHBondContact O-CG 3.12Å; D80-M84 PolarHBondContact O-N 2.9Å; D80-R197 IonicContact OD2-NH1 2.71Å; D80-F199 WeakPolarHBondContact OD2-CZ 3.33Å; D80-W296 WeakPolarHBondContact OD1-CZ3 3.33Å
81A80Confident74.1Confident7 Ų743.6 Ų43.66%0.05823%0.234CC..Hα-helixtrans-65.2-32.9-179.200000111.6F59 N62 R63 M84 V85F59-A81 HydrophobicContact CD2-CB 3.7Å; F59-A81 HydrophobicContact CE2-CB 3.65Å; N62-A81 HydrophobicContact CB-CB 4.03Å; R63-A81 HydrophobicContact CB-CB 4.2Å; A81-M84 PolarHBondContact O-N 3.47Å; A81-V85 WeakPolarHBondContact O-CG2 3.35Å; A81-V85 PolarHBondContact O-N 3.26Å
82E77.9Confident75Confident66 Ų6642.3 Ų42.331%0.30823%0.226SC..Hα-helixtrans-53-51.1169.3-83.565.7-163.400112.5F59 D80 M84 V85 A86 S295F59-E82 WeakPolarHBondContact CE2-OE1 3.37Å; D80-E82 VanDerWaalsContact C-N 3.26Å; D80-E82 PolarHBondContact O-N 3.13Å; E82-M84 VanDerWaalsContact C-N 3.28Å; E82-M84 PolarHBondContact O-N 2.89Å; E82-V85 PolarHBondContact O-N 3.1Å; E82-V85 VanDerWaalsContact O-N 3.16Å; E82-A86 VanDerWaalsContact O-CB 3.3Å; E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 2.7Å; E82-S295 VanDerWaalsContact CD-OG 3.22Å; E82-S295 WeakPolarHBondContact OE1-CB 2.96Å; E82-S295 PolarHBondContact OE1-OG 2.91Å; E82-S295 WeakPolarHBondContact OE2-CB 3.5Å; E82-S295 PolarHBondContact OE2-OG 3.31Å
83D77.2Confident75.5Confident13 Ų1337.2 Ų37.27%0.0720%0.204CC..Hα-helixtrans-66.7-32.3-177.1-80.7-56.1000111.7D80 V85 A86 L87 T180 L181 N182D80-D83 HydrophobicContact CB-CB 4.48Å; D80-D83 PolarHBondContact O-N 3.12Å; D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 3.03Å; D83-A86 PolarHBondContact O-N 3.44Å; D83-L87 VanDerWaalsContact O-CB 3.27Å; D83-L87 WeakPolarHBondContact O-CB 3.44Å; D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 2.94Å; D83-T180 HydrophobicContact CB-CG2 4.39Å; D83-T180 WeakPolarHBondContact OD1-CG2 3.43Å; D83-T180 WeakPolarHBondContact OD2-CG2 3.29Å; D83-L181 PolarHBondContact OD1-N 3.36Å; D83-N182 PolarHBondContact OD1-N 2.87Å
84M84Confident76.2Confident5 Ų537.2 Ų37.23%0.02521%0.205CC..Hα-helixtrans-67.6-31.6175-62.9-68.8-82.100112.6F30 R31 F36 N62 F66 L79 D80 A81 E82 P90 I95F30-M84 VanDerWaalsContact O-CE 3.26Å; F30-M84 WeakPolarHBondContact O-CE 3.23Å; R31-M84 VanDerWaalsContact CG-O 3.32Å; R31-M84 WeakPolarHBondContact CG-O 3.27Å; R31-M84 PolarHBondContact NE-O 2.87Å; F36-M84 HydrophobicContact CE2-CE 3.89Å; N62-M84 VanDerWaalsContact OD1-CE 3.27Å; N62-M84 WeakPolarHBondContact OD1-CE 3.16Å; F66-M84 HydrophobicContact CE2-CG 4.44Å; F66-M84 HydrophobicContact CZ-CG 4.29Å; L79-M84 HydrophobicContact CD1-SD 4.34Å; D80-M84 WeakPolarHBondContact O-CG 3.12Å; D80-M84 PolarHBondContact O-N 2.9Å; A81-M84 PolarHBondContact O-N 3.47Å; E82-M84 VanDerWaalsContact C-N 3.28Å; E82-M84 PolarHBondContact O-N 2.89Å; M84-P90 HydrophobicContact SD-CB 3.68Å; M84-P90 HydrophobicContact SD-CG 4.37Å; M84-I95 HydrophobicContact CE-CD1 3.92Å; M84-I95 HydrophobicContact SD-CD1 4.1Å
85V83.9Confident77.8Confident62 Ų6235.9 Ų35.938%0.37619%0.191SC..Hα-helixtrans-75.5-51.6170.5177.80000110.4R31 V58 F59 A81 E82 D83R31-V85 PolarHBondContact NH2-O 3.43Å; V58-V85 HydrophobicContact CB-CG2 4.27Å; V58-V85 HydrophobicContact CG1-CG2 3.84Å; F59-V85 HydrophobicContact CB-CG2 3.74Å; F59-V85 HydrophobicContact CD2-CG2 4.22Å; F59-V85 HydrophobicContact CG-CG2 4.46Å; A81-V85 WeakPolarHBondContact O-CG2 3.35Å; A81-V85 PolarHBondContact O-N 3.26Å; E82-V85 PolarHBondContact O-N 3.1Å; E82-V85 VanDerWaalsContact O-N 3.16Å; D83-V85 VanDerWaalsContact C-N 3.33Å; D83-V85 PolarHBondContact O-N 3.03Å
86A76.3Confident78.6Confident56 Ų5636 Ų3646%0.46319%0.192SC..Hα-helixtrans-70.4-37.1-168.800000113E82 D83 L181E82-A86 VanDerWaalsContact O-CB 3.3Å; E82-A86 WeakPolarHBondContact O-CB 3.49Å; E82-A86 PolarHBondContact O-N 2.7Å; D83-A86 PolarHBondContact O-N 3.44Å; A86-L181 HydrophobicContact CB-CB 4.36Å; A86-L181 HydrophobicContact CB-CD1 3.57Å; A86-L181 WeakPolarHBondContact O-CD1 3.28Å
87L76.5Confident79.7Confident25 Ų2534.7 Ų34.713%0.13118%0.183CC..  trans-81.6128.3173.8-64.3177.3000111.1R31 D83 I89 L181R31-L87 PolarHBondContact NE-O 3.4Å; D83-L87 VanDerWaalsContact O-CB 3.27Å; D83-L87 WeakPolarHBondContact O-CB 3.44Å; D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 2.94Å; L87-I89 VanDerWaalsContact C-N 3.29Å; L87-I89 PolarHBondContact O-N 3.37Å; L87-L181 HydrophobicContact CD2-CD1 3.87Å; L87-L181 HydrophobicContact CD2-CG 3.85Å; L87-L181 HydrophobicContact CG-CD1 4.45Å
88K79.4Confident80.6Confident179 Ų17934.2 Ų34.278%0.77818%0.179SC*.SBendtrans-69.1-28.4171.5-172.1176.4-179.9-179.60112.6R31R31-K88 WeakPolarHBondContact CD-O 3.44Å
89I82Confident81.7Confident111 Ų11130.9 Ų30.957%0.56916%0.162SC*.SBendtrans-129.6111.1174-58.8177.4000105.9T27 T28 L87T27-I89 HydrophobicContact CG2-CG2 4.34Å; T28-I89 HydrophobicContact CG2-CB 4.21Å; T28-I89 HydrophobicContact CG2-CG1 3.88Å; T28-I89 HydrophobicContact CG2-CG2 4.16Å; L87-I89 VanDerWaalsContact C-N 3.29Å; L87-I89 PolarHBondContact O-N 3.37Å
90P83Confident81.9Confident3 Ų330.5 Ų30.52%0.01916%0.16CC..  trans-73.3153.7177.832.4-35.8000110.6T27 R31 M84 R92 I95T27-P90 WeakPolarHBondContact CB-O 3.29Å; T27-P90 WeakPolarHBondContact CG2-O 3.41Å; T27-P90 VanDerWaalsContact O-CG 3.23Å; T27-P90 WeakPolarHBondContact O-CG 3.32Å; R31-P90 HydrophobicContact CB-CG 4.11Å; M84-P90 HydrophobicContact SD-CB 3.68Å; M84-P90 HydrophobicContact SD-CG 4.37Å; P90-R92 PolarHBondContact O-N 3.13Å; P90-I95 HydrophobicContact CB-CD1 4.23Å; P90-I95 HydrophobicContact CB-CG1 4.28Å; P90-I95 HydrophobicContact CG-CD1 4.28Å; P90-I95 HydrophobicContact CG-CG1 4.31Å
91D82Confident82.1Confident22 Ų2231.7 Ų31.712%0.11817%0.165CC..  trans-65.1122.8-171.6178.950.5000113.5L93 S94 I95 R613D91-L93 PolarHBondContact O-N 3.25Å; D91-S94 PolarHBondContact O-N 2.82Å; D91-S94 WeakPolarHBondContact OD2-CB 3.45Å; D91-S94 PolarHBondContact OD2-N 3.47Å; D91-S94 PolarHBondContact OD2-OG 3.37Å; D91-I95 VanDerWaalsContact O-CG1 3.31Å; D91-I95 WeakPolarHBondContact O-CG1 3.49Å; D91-I95 PolarHBondContact O-N 3.1Å; D91-R613 IonicContact OD1-CZ 2.83Å; D91-R613 IonicContact OD1-NH1 3.31Å; D91-R613 PolarHBondContact OD1-NH1 3.47Å; D91-R613 IonicContact OD1-NH2 3.2Å; D91-R613 PolarHBondContact OD1-NH2 2.94Å; D91-R613 IonicContact OD2-CZ 3.49Å; D91-R613 IonicContact OD2-NH1 3.52Å; D91-R613 IonicContact OD2-NH2 2.94Å; D91-R613 PolarHBondContact OD2-NH2 3.19Å
92R84.9Confident82.4Confident46 Ų4631.4 Ų31.417%0.17416%0.163CC..Hα-helixtrans-62.2-43.4-173.9-168.2-175.6176.1-153.7-0.9112.5M26 T27 P90 I95 L96 E616 D622M26-R92 HydrophobicContact CB-CG 4.28Å; T27-R92 HydrophobicContact CG2-CB 3.47Å; T27-R92 VanDerWaalsContact CG2-CB 3.47Å; T27-R92 HydrophobicContact CG2-CG 3.88Å; P90-R92 PolarHBondContact O-N 3.13Å; R92-I95 PolarHBondContact O-N 3.14Å; R92-L96 HydrophobicContact CG-CD1 3.96Å; R92-L96 HydrophobicContact CG-CG 4.3Å; R92-L96 VanDerWaalsContact O-CB 3.29Å; R92-L96 WeakPolarHBondContact O-CB 3.41Å; R92-L96 VanDerWaalsContact O-CG 3.22Å; R92-L96 WeakPolarHBondContact O-CG 3.21Å; R92-L96 PolarHBondContact O-N 3.36Å; R92-E616 VanDerWaalsContact CB-OE1 3.25Å; R92-E616 WeakPolarHBondContact CB-OE1 3.11Å; R92-E616 WeakPolarHBondContact CB-OE2 3.47Å; R92-E616 WeakPolarHBondContact CD-OE1 3.42Å; R92-D622 IonicContact CZ-OD1 3.75Å; R92-D622 IonicContact NH1-OD1 3.96Å; R92-D622 IonicContact NH2-OD1 2.7Å; R92-D622 PolarHBondContact NH2-OD1 2.75Å
93L82.6Confident82.6Confident1 Ų129.6 Ų29.61%0.00515%0.153CC..Hα-helixtrans-65-40.4179.1178.856.3000111.7D91 T97 L194 E609 L612 M629D91-L93 PolarHBondContact O-N 3.25Å; L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.04Å; L93-T97 PolarHBondContact O-N 3.25Å; L93-T97 PolarHBondContact O-OG1 2.95Å; L93-L194 HydrophobicContact CG-CD2 4.34Å; L93-E609 HydrophobicContact CD2-CB 4.48Å; L93-E609 HydrophobicContact CD2-CG 3.54Å; L93-L612 HydrophobicContact CD1-CD1 3.88Å; L93-L612 HydrophobicContact CD2-CB 3.92Å; L93-L612 HydrophobicContact CD2-CD1 4.04Å; L93-M629 HydrophobicContact CD1-CE 4.17Å; L93-M629 HydrophobicContact CD1-SD 3.58Å; L93-M629 VanDerWaalsContact CD1-SD 3.58Å
94S83.7Confident82.5Confident10 Ų1029.2 Ų29.27%0.0715%0.151CC..Hα-helixtrans-62.1-48.8173.5-58.10000111.8D91 T97 Y98D91-S94 PolarHBondContact O-N 2.82Å; D91-S94 WeakPolarHBondContact OD2-CB 3.45Å; D91-S94 PolarHBondContact OD2-N 3.47Å; D91-S94 PolarHBondContact OD2-OG 3.37Å; S94-T97 PolarHBondContact O-N 2.66Å; S94-Y98 PolarHBondContact O-N 2.91Å
95I88.2Confident82Confident0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-60.8-48.2177-64-71.1000110.9M26 F30 F36 L79 M84 P90 D91 R92 T97 Y98 V99M26-I95 HydrophobicContact CB-CG2 4.37Å; M26-I95 VanDerWaalsContact O-CB 3.3Å; M26-I95 WeakPolarHBondContact O-CB 3.41Å; M26-I95 VanDerWaalsContact O-CG2 3.28Å; M26-I95 WeakPolarHBondContact O-CG2 3.43Å; F30-I95 HydrophobicContact CB-CD1 3.93Å; F30-I95 HydrophobicContact CB-CG2 4.26Å; F30-I95 HydrophobicContact CD2-CG2 3.8Å; F30-I95 HydrophobicContact CE2-CG2 4.34Å; F30-I95 HydrophobicContact CG-CG2 4Å; F36-I95 HydrophobicContact CZ-CD1 4.17Å; L79-I95 HydrophobicContact CD1-CD1 3.71Å; M84-I95 HydrophobicContact CE-CD1 3.92Å; M84-I95 HydrophobicContact SD-CD1 4.1Å; P90-I95 HydrophobicContact CB-CD1 4.23Å; P90-I95 HydrophobicContact CB-CG1 4.28Å; P90-I95 HydrophobicContact CG-CD1 4.28Å; P90-I95 HydrophobicContact CG-CG1 4.31Å; D91-I95 VanDerWaalsContact O-CG1 3.31Å; D91-I95 WeakPolarHBondContact O-CG1 3.49Å; D91-I95 PolarHBondContact O-N 3.1Å; R92-I95 PolarHBondContact O-N 3.14Å; I95-T97 PolarHBondContact O-N 2.85Å; I95-Y98 PolarHBondContact O-N 3.26Å; I95-V99 HydrophobicContact CG2-CG2 3.95Å; I95-V99 VanDerWaalsContact O-CB 3.26Å; I95-V99 WeakPolarHBondContact O-CB 3.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.1Å
96L85.2Confident81.8Confident2 Ų228 Ų281%0.0114%0.14CC..Hα-helixtrans-57.1-47176.5-77.5171.8000111.9I4 L7 M26 R92 S100 M629I4-L96 HydrophobicContact CD1-CD1 4.24Å; I4-L96 HydrophobicContact CG1-CD1 4.26Å; I4-L96 HydrophobicContact CG1-CD2 4.34Å; I4-L96 HydrophobicContact CG2-CD1 4.45Å; I4-L96 HydrophobicContact CG2-CD2 4.02Å; L7-L96 HydrophobicContact CD2-CD2 4.23Å; M26-L96 HydrophobicContact CB-CD2 3.86Å; M26-L96 HydrophobicContact CB-CG 4.12Å; M26-L96 HydrophobicContact CE-CD2 3.88Å; M26-L96 HydrophobicContact CG-CD2 3.77Å; R92-L96 HydrophobicContact CG-CD1 3.96Å; R92-L96 HydrophobicContact CG-CG 4.3Å; R92-L96 VanDerWaalsContact O-CB 3.29Å; R92-L96 WeakPolarHBondContact O-CB 3.41Å; R92-L96 VanDerWaalsContact O-CG 3.22Å; R92-L96 WeakPolarHBondContact O-CG 3.21Å; R92-L96 PolarHBondContact O-N 3.36Å; L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.33Å; L96-S100 PolarHBondContact O-N 3.41Å; L96-M629 HydrophobicContact CB-CE 4.46Å
97T81.5Confident81.6Confident11 Ų1129.3 Ų29.37%0.06714%0.136CC..Hα-helixtrans-62.2-45.5-179.6-57.10000110.5L78 L93 S94 I95 S100 W632 F633L78-T97 HydrophobicContact CD1-CG2 3.72Å; L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.04Å; L93-T97 PolarHBondContact O-N 3.25Å; L93-T97 PolarHBondContact O-OG1 2.95Å; S94-T97 PolarHBondContact O-N 2.66Å; I95-T97 PolarHBondContact O-N 2.85Å; T97-S100 PolarHBondContact O-OG 2.86Å; T97-W632 PolarHBondContact OG1-NE1 3.48Å; T97-W632 VanDerWaalsContact OG1-NE1 3.16Å; T97-F633 HydrophobicContact CG2-CE1 4.45Å
98Y85.9Confident80.5Confident0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-72.1-48.2-179.1-169.2-135.1000113F36 F66 I75 P76 L78 L79 S94 I95 S100 Q101 Y102F36-Y98 HydrophobicContact CD1-CD1 4.36Å; F36-Y98 HydrophobicContact CD1-CE1 4.26Å; F36-Y98 AromaticContact CE1-CD1 3.6Å; F36-Y98 HydrophobicContact CE1-CD1 3.6Å; F36-Y98 AromaticContact CE1-CE1 3.94Å; F36-Y98 HydrophobicContact CE1-CE1 3.94Å; F36-Y98 AromaticContact CZ-CD1 3.94Å; F36-Y98 HydrophobicContact CZ-CD1 3.94Å; F36-Y98 HydrophobicContact CZ-CE1 4.4Å; F66-Y98 AromaticContact CD1-CE1 3.56Å; F66-Y98 HydrophobicContact CD1-CE1 3.56Å; F66-Y98 HydrophobicContact CE1-CD1 4.4Å; F66-Y98 AromaticContact CE1-CE1 3.63Å; F66-Y98 HydrophobicContact CE1-CE1 3.63Å; F66-Y98 HydrophobicContact CG-CE1 4.4Å; F66-Y98 HydrophobicContact CZ-CE1 4.49Å; I75-Y98 HydrophobicContact CG2-CE2 4.1Å; P76-Y98 VanDerWaalsContact O-CE2 3.28Å; P76-Y98 WeakPolarHBondContact O-CE2 3.34Å; L78-Y98 HydrophobicContact CB-CD2 3.85Å; L78-Y98 HydrophobicContact CB-CG 4.17Å; L78-Y98 HydrophobicContact CD1-CD2 4.39Å; L78-Y98 HydrophobicContact CG-CD2 4Å; L79-Y98 HydrophobicContact CD1-CD1 3.51Å; L79-Y98 HydrophobicContact CD1-CE1 4.28Å; L79-Y98 HydrophobicContact CD1-CG 4.2Å; L79-Y98 HydrophobicContact CG-CD1 3.81Å; L79-Y98 HydrophobicContact CG-CG 4.16Å; S94-Y98 PolarHBondContact O-N 2.91Å; I95-Y98 PolarHBondContact O-N 3.26Å; Y98-S100 PolarHBondContact O-N 2.83Å; Y98-Q101 WeakPolarHBondContact O-CB 3.24Å; Y98-Q101 PolarHBondContact O-N 3.45Å; Y98-Y102 AromaticContact CD1-CE2 3.92Å; Y98-Y102 HydrophobicContact CD1-CE2 3.92Å; Y98-Y102 HydrophobicContact CD2-CE2 4.17Å; Y98-Y102 AromaticContact CE1-CE2 3.53Å; Y98-Y102 HydrophobicContact CE1-CE2 3.53Å; Y98-Y102 AromaticContact CE1-CZ 3.95Å; Y98-Y102 AromaticContact CE2-CE2 3.76Å; Y98-Y102 HydrophobicContact CE2-CE2 3.76Å; Y98-Y102 HydrophobicContact CG-CE2 4.24Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.89Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.42Å; Y98-Y102 PolarHBondContact OH-OH 3.32Å
99V88.8Confident79Confident0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-60.8-29.1178.31730000112.1L7 C11 M26 F30 F36 I95 Q101 Y102 Y103L7-V99 HydrophobicContact CD1-CG1 4.25Å; L7-V99 HydrophobicContact CD2-CG1 4.33Å; L7-V99 HydrophobicContact CG-CG1 4.19Å; C11-V99 WeakPolarHBondContact SG-CG1 3.33Å; M26-V99 HydrophobicContact CE-CB 4.43Å; M26-V99 HydrophobicContact CE-CG1 3.88Å; F30-V99 HydrophobicContact CD1-CG2 3.99Å; F30-V99 HydrophobicContact CE1-CG1 4.47Å; F30-V99 HydrophobicContact CE1-CG2 3.6Å; F30-V99 HydrophobicContact CE2-CG2 4.48Å; F30-V99 HydrophobicContact CZ-CG1 4.24Å; F30-V99 HydrophobicContact CZ-CG2 3.88Å; F36-V99 HydrophobicContact CE1-CG2 3.62Å; F36-V99 HydrophobicContact CZ-CG2 4.11Å; I95-V99 HydrophobicContact CG2-CG2 3.95Å; I95-V99 VanDerWaalsContact O-CB 3.26Å; I95-V99 WeakPolarHBondContact O-CB 3.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.1Å; V99-Q101 PolarHBondContact O-N 3.17Å; V99-Y102 PolarHBondContact O-N 2.68Å; V99-Y103 PolarHBondContact O-N 2.7Å; V99-Y103 VanDerWaalsContact O-N 3.1Å
100S81.6Confident76.8Confident6 Ų626 Ų264%0.04213%0.13CC..Hα-helixtrans-60.3-31.5173.280.40000113.1L96 T97 Y98 Y103 N104 F633 M726L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.33Å; L96-S100 PolarHBondContact O-N 3.41Å; T97-S100 PolarHBondContact O-OG 2.86Å; Y98-S100 PolarHBondContact O-N 2.83Å; S100-Y103 WeakPolarHBondContact O-CB 3.44Å; S100-Y103 PolarHBondContact O-N 3.22Å; S100-N104 VanDerWaalsContact O-CG 3.24Å; S100-N104 PolarHBondContact O-N 2.7Å; S100-N104 VanDerWaalsContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 2.76Å; S100-F633 WeakPolarHBondContact OG-CE1 3.45Å; S100-M726 VanDerWaalsContact OG-CE 3.27Å; S100-M726 WeakPolarHBondContact OG-CE 3.41Å
101Q79.4Confident74.5Confident41 Ų4131.4 Ų31.419%0.19217%0.165CC..Hα-helixtrans-69.2-45.4176.6-54.9-174.76.900111.3I75 P76 L78 Y98 V99 Y103 N104 Y105I75-Q101 HydrophobicContact CG2-CB 3.83Å; I75-Q101 VanDerWaalsContact CG2-OE1 3.31Å; P76-Q101 PolarHBondContact O-OE1 2.72Å; L78-Q101 VanDerWaalsContact CD1-NE2 3.28Å; Y98-Q101 WeakPolarHBondContact O-CB 3.24Å; Y98-Q101 PolarHBondContact O-N 3.45Å; V99-Q101 PolarHBondContact O-N 3.17Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 2.8Å; Q101-N104 PolarHBondContact O-N 3.46Å; Q101-Y105 PolarHBondContact O-N 2.85Å
102Y85.4Confident72.4Confident0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-57-42.4174.8-72.4-112.2000111.4F36 L39 I40 A69 I75 Y98 V99 N104 Y105 F106F36-Y102 HydrophobicContact CD1-CE1 4.27Å; F36-Y102 HydrophobicContact CD1-CE2 4.06Å; F36-Y102 AromaticContact CD1-CZ 3.86Å; F36-Y102 HydrophobicContact CE1-CE2 4.35Å; L39-Y102 HydrophobicContact CB-CD1 4.2Å; L39-Y102 HydrophobicContact CD1-CD1 4.29Å; L39-Y102 HydrophobicContact CD1-CG 4.47Å; I40-Y102 HydrophobicContact CD1-CE1 4.17Å; I40-Y102 HydrophobicContact CG1-CE1 3.91Å; A69-Y102 HydrophobicContact CB-CE1 4.12Å; A69-Y102 VanDerWaalsContact CB-OH 3.26Å; A69-Y102 WeakPolarHBondContact CB-OH 3.17Å; I75-Y102 HydrophobicContact CD1-CD1 4.33Å; I75-Y102 HydrophobicContact CD1-CG 4.32Å; I75-Y102 HydrophobicContact CG2-CD2 4.2Å; I75-Y102 HydrophobicContact CG2-CE2 4.05Å; Y98-Y102 AromaticContact CD1-CE2 3.92Å; Y98-Y102 HydrophobicContact CD1-CE2 3.92Å; Y98-Y102 HydrophobicContact CD2-CE2 4.17Å; Y98-Y102 AromaticContact CE1-CE2 3.53Å; Y98-Y102 HydrophobicContact CE1-CE2 3.53Å; Y98-Y102 AromaticContact CE1-CZ 3.95Å; Y98-Y102 AromaticContact CE2-CE2 3.76Å; Y98-Y102 HydrophobicContact CE2-CE2 3.76Å; Y98-Y102 HydrophobicContact CG-CE2 4.24Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.89Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.42Å; Y98-Y102 PolarHBondContact OH-OH 3.32Å; V99-Y102 PolarHBondContact O-N 2.68Å; Y102-N104 PolarHBondContact O-N 2.75Å; Y102-Y105 PolarHBondContact O-N 3.12Å; Y102-F106 HydrophobicContact CD1-CE2 4.11Å; Y102-F106 VanDerWaalsContact O-CD2 3.29Å; Y102-F106 WeakPolarHBondContact O-CD2 3.32Å; Y102-F106 PolarHBondContact O-N 2.88Å; Y102-F106 VanDerWaalsContact O-N 3.09Å
103Y82.8Confident69.9Low29 Ų2939.7 Ų39.711%0.11423%0.23CC..Hα-helixtrans-55.9-51.6172.9177.8-80.1000110.6L7 W10 V99 S100 Q101 Y105 K107 D729L7-Y103 VanDerWaalsContact CD1-CB 3.46Å; L7-Y103 HydrophobicContact CD1-CD2 3.8Å; L7-Y103 HydrophobicContact CD1-CG 3.81Å; W10-Y103 HydrophobicContact CB-CD2 3.9Å; W10-Y103 HydrophobicContact CB-CE2 3.96Å; W10-Y103 AromaticContact CD2-CD2 3.47Å; W10-Y103 HydrophobicContact CD2-CD2 3.47Å; W10-Y103 VanDerWaalsContact CD2-CD2 3.47Å; W10-Y103 HydrophobicContact CD2-CE2 4.22Å; W10-Y103 HydrophobicContact CD2-CG 4.31Å; W10-Y103 AromaticContact CE3-CD2 3.7Å; W10-Y103 HydrophobicContact CE3-CD2 3.7Å; W10-Y103 HydrophobicContact CE3-CG 4.27Å; W10-Y103 AromaticContact CG-CD2 3.56Å; W10-Y103 HydrophobicContact CG-CD2 3.56Å; W10-Y103 AromaticContact CG-CE2 3.83Å; W10-Y103 HydrophobicContact CG-CE2 3.83Å; W10-Y103 HydrophobicContact CZ3-CD2 4.47Å; V99-Y103 PolarHBondContact O-N 2.7Å; V99-Y103 VanDerWaalsContact O-N 3.1Å; S100-Y103 WeakPolarHBondContact O-CB 3.44Å; S100-Y103 PolarHBondContact O-N 3.22Å; Q101-Y103 VanDerWaalsContact C-N 3.28Å; Q101-Y103 PolarHBondContact O-N 2.8Å; Y103-Y105 PolarHBondContact O-N 2.96Å; Y103-K107 HydrophobicContact CD1-CB 4.36Å; Y103-K107 HydrophobicContact CD1-CG 4.03Å; Y103-K107 HydrophobicContact CD2-CG 4.06Å; Y103-K107 HydrophobicContact CE1-CB 4.1Å; Y103-K107 HydrophobicContact CE1-CD 4.3Å; Y103-K107 HydrophobicContact CE1-CG 3.78Å; Y103-K107 HydrophobicContact CE2-CD 3.97Å; Y103-K107 VanDerWaalsContact CE2-CE 3.43Å; Y103-K107 HydrophobicContact CE2-CG 3.84Å; Y103-K107 HydrophobicContact CG-CG 4.13Å; Y103-K107 WeakPolarHBondContact O-CB 3.06Å; Y103-K107 WeakPolarHBondContact O-CG 3.43Å; Y103-K107 PolarHBondContact O-N 2.96Å; Y103-K107 PolarHBondContact OH-NZ 3.5Å; Y103-D729 WeakPolarHBondContact CE1-OD2 3.24Å; Y103-D729 PolarHBondContact OH-OD2 3.4Å
104N75.2Confident67.3Low4 Ų442.6 Ų42.62%0.02126%0.26CS..Hα-helixtrans-66.7-38-176.4-63.1-37.6000113.5S100 Q101 Y102 G108 Q722 M726S100-N104 VanDerWaalsContact O-CG 3.24Å; S100-N104 PolarHBondContact O-N 2.7Å; S100-N104 VanDerWaalsContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 2.76Å; Q101-N104 PolarHBondContact O-N 3.46Å; Y102-N104 PolarHBondContact O-N 2.75Å; N104-G108 WeakPolarHBondContact O-CA 3.48Å; N104-G108 PolarHBondContact O-N 2.78Å; N104-Q722 HydrophobicContact CB-CB 3.77Å; N104-Q722 HydrophobicContact CB-CG 4.23Å; N104-M726 WeakPolarHBondContact ND2-CB 3.49Å; N104-M726 WeakPolarHBondContact ND2-CE 3.34Å; N104-M726 WeakPolarHBondContact ND2-CG 3.29Å; N104-M726 WeakPolarHBondContact OD1-CA 3.13Å; N104-M726 WeakPolarHBondContact OD1-CB 3.3Å; N104-M726 VanDerWaalsContact OD1-CG 3.3Å; N104-M726 WeakPolarHBondContact OD1-CG 3.35Å
105Y73.8Confident64.9Low28 Ų2848.1 Ų48.111%0.1129%0.293CS..Hα-helixtrans-61.9-57176.8-175.5-93000110.6L73 I75 Q101 Y102 Y103 G108L73-Y105 HydrophobicContact CB-CD1 4.47Å; L73-Y105 HydrophobicContact CB-CE1 3.94Å; L73-Y105 HydrophobicContact CB-CE2 4.1Å; L73-Y105 HydrophobicContact CD1-CE1 4.28Å; L73-Y105 HydrophobicContact CD2-CE1 3.92Å; L73-Y105 HydrophobicContact CG-CE1 4.27Å; L73-Y105 WeakPolarHBondContact O-CE2 3.47Å; I75-Y105 HydrophobicContact CD1-CD1 4.19Å; I75-Y105 HydrophobicContact CD1-CD2 4.37Å; I75-Y105 HydrophobicContact CD1-CG 3.87Å; I75-Y105 HydrophobicContact CG1-CD2 4.14Å; I75-Y105 HydrophobicContact CG1-CG 4.13Å; Q101-Y105 PolarHBondContact O-N 2.85Å; Y102-Y105 PolarHBondContact O-N 3.12Å; Y103-Y105 PolarHBondContact O-N 2.96Å; Y105-G108 WeakPolarHBondContact O-CA 3.19Å; Y105-G108 PolarHBondContact O-N 3.42Å; Y105-G108 VanDerWaalsContact O-N 3.09Å
106F78.9Confident62.2Low13 Ų1357.7 Ų57.76%0.05734%0.335CS..Hα-helixtrans-79.1-26.7-173.2-67.8-55.8000114.5W10 Y43 L73 Y102 G108W10-F106 HydrophobicContact CH2-CD2 4.46Å; W10-F106 HydrophobicContact CZ2-CB 4.24Å; Y43-F106 HydrophobicContact CD1-CB 4.12Å; Y43-F106 AromaticContact CD1-CD1 3.89Å; Y43-F106 HydrophobicContact CD1-CD1 3.89Å; Y43-F106 HydrophobicContact CD1-CG 4.23Å; Y43-F106 HydrophobicContact CD2-CB 3.77Å; Y43-F106 AromaticContact CD2-CD1 3.48Å; Y43-F106 HydrophobicContact CD2-CD1 3.48Å; Y43-F106 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F106 AromaticContact CD2-CD2 3.72Å; Y43-F106 HydrophobicContact CD2-CD2 3.72Å; Y43-F106 AromaticContact CD2-CE1 3.93Å; Y43-F106 HydrophobicContact CD2-CE1 3.93Å; Y43-F106 HydrophobicContact CD2-CE2 4.11Å; Y43-F106 AromaticContact CD2-CG 3.38Å; Y43-F106 HydrophobicContact CD2-CG 3.38Å; Y43-F106 HydrophobicContact CD2-CZ 4.2Å; Y43-F106 HydrophobicContact CE1-CB 3.87Å; Y43-F106 HydrophobicContact CE1-CG 4.43Å; Y43-F106 HydrophobicContact CE2-CB 3.5Å; Y43-F106 HydrophobicContact CE2-CD1 4.16Å; Y43-F106 AromaticContact CE2-CD2 3.95Å; Y43-F106 HydrophobicContact CE2-CD2 3.95Å; Y43-F106 AromaticContact CE2-CG 3.63Å; Y43-F106 HydrophobicContact CE2-CG 3.63Å; Y43-F106 HydrophobicContact CG-CB 4.06Å; Y43-F106 AromaticContact CG-CD1 3.32Å; Y43-F106 HydrophobicContact CG-CD1 3.32Å; Y43-F106 HydrophobicContact CG-CD2 4.42Å; Y43-F106 AromaticContact CG-CE1 3.78Å; Y43-F106 HydrophobicContact CG-CE1 3.78Å; Y43-F106 AromaticContact CG-CG 3.7Å; Y43-F106 HydrophobicContact CG-CG 3.7Å; Y43-F106 HydrophobicContact CG-CZ 4.46Å; L73-F106 HydrophobicContact CD1-CE1 4.12Å; L73-F106 HydrophobicContact CD1-CE2 4.35Å; L73-F106 HydrophobicContact CD1-CZ 3.5Å; Y102-F106 HydrophobicContact CD1-CE2 4.11Å; Y102-F106 VanDerWaalsContact O-CD2 3.29Å; Y102-F106 WeakPolarHBondContact O-CD2 3.32Å; Y102-F106 PolarHBondContact O-N 2.88Å; Y102-F106 VanDerWaalsContact O-N 3.09Å; F106-G108 VanDerWaalsContact C-N 3.31Å
107K72.4Confident59.7Low85 Ų8567.8 Ų67.837%0.3737%0.372SS..Hα-helixtrans-78.6-20.4164.8-65.5-97.4-176.2144.90111.8Y103 K725Y103-K107 HydrophobicContact CD1-CB 4.36Å; Y103-K107 HydrophobicContact CD1-CG 4.03Å; Y103-K107 HydrophobicContact CD2-CG 4.06Å; Y103-K107 HydrophobicContact CE1-CB 4.1Å; Y103-K107 HydrophobicContact CE1-CD 4.3Å; Y103-K107 HydrophobicContact CE1-CG 3.78Å; Y103-K107 HydrophobicContact CE2-CD 3.97Å; Y103-K107 VanDerWaalsContact CE2-CE 3.43Å; Y103-K107 HydrophobicContact CE2-CG 3.84Å; Y103-K107 HydrophobicContact CG-CG 4.13Å; Y103-K107 WeakPolarHBondContact O-CB 3.06Å; Y103-K107 WeakPolarHBondContact O-CG 3.43Å; Y103-K107 PolarHBondContact O-N 2.96Å; Y103-K107 PolarHBondContact OH-NZ 3.5Å; K107-K725 PolarHBondContact O-NZ 3.21Å
108G54.2Low57.2Low22 Ų2273.5 Ų73.523%0.22741%0.41CS..Hα-helixtrans-58.5-48.9-178.300000111.7N104 Y105 F106 K725N104-G108 WeakPolarHBondContact O-CA 3.48Å; N104-G108 PolarHBondContact O-N 2.78Å; Y105-G108 WeakPolarHBondContact O-CA 3.19Å; Y105-G108 PolarHBondContact O-N 3.42Å; Y105-G108 VanDerWaalsContact O-N 3.09Å; F106-G108 VanDerWaalsContact C-N 3.31Å; G108-K725 PolarHBondContact O-NZ 2.87Å
109R47.3Very low54.4Low118 Ų11878 Ų7845%0.44545%0.447SS..SBendtrans-99.3141.6-177.6-61175.9177.2-118.3-2.8110.7E718R109-E718 IonicContact CZ-OE1 2.91Å; R109-E718 IonicContact NE-OE1 3.33Å; R109-E718 PolarHBondContact NE-OE1 3.43Å; R109-E718 VanDerWaalsContact NE-OE1 3.12Å; R109-E718 VanDerWaalsContact NH2-CD 3.26Å; R109-E718 IonicContact NH2-OE1 3.31Å; R109-E718 PolarHBondContact NH2-OE1 2.93Å; R109-E718 IonicContact NH2-OE2 2.67Å
110P35.4Very low51.6Low106 Ų10687.6 Ų87.669%0.68849%0.492SS*.PPolyproline II helixtrans-64.5150.2164.730.2-33.9000109.3I112P110-I112 PolarHBondContact O-N 3.5Å
111P34.8Very low49Very low116 Ų11691.3 Ų91.375%0.75353%0.531SS*.PPolyproline II helixtrans-57.8130.7175.7-23.533.9000111.1G113P111-G113 PolarHBondContact O-N 2.92Å
112I39Very low46.6Very low161 Ų16195.2 Ų95.283%0.82656%0.563SS**  trans-79.171.7175.9-56.4-178.9000108.7P110P110-I112 PolarHBondContact O-N 3.5Å
113G31.8Very low44Very low80 Ų80104.7 Ų104.783%0.82560%0.604SS**  trans-97.985.2170.400000110P111P111-G113 PolarHBondContact O-N 2.92Å
114G27.8Very low41.4Very low62 Ų62112.6 Ų112.664%0.63964%0.642SS**  trans169.362.8-17600000114.4K116G114-K116 PolarHBondContact O-N 2.97Å; G114-K116 VanDerWaalsContact O-N 3.08Å
115V33.4Very low39.1Very low126 Ų126120.8 Ų120.876%0.76468%0.68SS**  trans-65.7108.9173.2178.20000109.7R117V115-R117 HydrophobicContact CG1-CG 4.19Å
116K32Very low37.3Very low202 Ų202124.3 Ų124.388%0.87871%0.706SS**  trans-109.5105.5154.9-76.5-168.4173.7-172.50108.2G114G114-K116 PolarHBondContact O-N 2.97Å; G114-K116 VanDerWaalsContact O-N 3.08Å
117R33.2Very low34.7Very low213 Ų213128.4 Ų128.480%0.80474%0.737SS**  trans-66.6143.6163.6-67.2-177.3172.499.5-2.5108.5V115V115-R117 HydrophobicContact CG1-CG 4.19Å
118P27.9Very low32.6Very low132 Ų132131.3 Ų131.386%0.85775%0.752SS**  trans-60.3137149.7-10.626.9000107.9
119A28.1Very low31.4Very low95 Ų95138 Ų13879%0.78578%0.775SS**  trans-126.4123.7168.200000107.2
120E29.1Very low30.6Very low201 Ų201141.5 Ų141.594%0.93979%0.793SS**  trans-66.4150.7165.8-70179.810600109.5
121G27.2Very low30.2Very low83 Ų83143.5 Ų143.586%0.85680%0.798SS**  trans-89.9140.5-168.500000113.8
122S29.8Very low29.8Very low123 Ų123146.3 Ų146.386%0.8680%0.801SS**  trans-131142.6149.253.90000108.4
123K29.7Very low29.9Very low200 Ų200143.9 Ų143.987%0.8780%0.795SS**  trans-99137.2178.2-62.7172.9179.6175.40109.4
124E28.1Very low29.6Very low195 Ų195145.9 Ų145.991%0.91179%0.791SS**  -176162.2124.7-102.8171.2-174.400112.5
125E26.9Very low29.6Very low175 Ų175149.6 Ų149.682%0.81880%0.802SS**  trans-163.2164.5-177.3-125-114.4124.700105.7
126P36.9Very low29.2Very low102 Ų102148 Ų14866%0.66280%0.801SS**  cis-125.4-160.64.218.97.6000113.4
127S24.4Very low29Very low99 Ų99147 Ų14769%0.69280%0.797SS**  trans88.6139.9161.3-113.40000118
128E27Very low28.5Very low147 Ų147145.2 Ų145.269%0.68780%0.8SS**  cis-150.8177.8-6-139.8-175.8156.300114.2
129K30.5Very low28.3Very low163 Ų163145.4 Ų145.471%0.70979%0.793SS**  trans-74.7147.8-162.7-39.3114.5-171.7167.70115.1
130K29Very low28.1Very low190 Ų190145.3 Ų145.383%0.82679%0.792SS**  -178.5118.1121.7-101.2164.6-175.2174.60116.8
131N28.3Very low28.1Very low148 Ų148141 Ų14179%0.79178%0.784SS**  46.2128.4126.2-57.16.4000123.8
132Q26.6Very low28.1Very low175 Ų175146.6 Ų146.682%0.81879%0.785SS**  trans-60.3172.1145.4-84-170.725.400112.2
133P39.6Very low27.9Very low110 Ų110146.2 Ų146.271%0.71478%0.783SS**  cis-153.7174.43643.5-21.1000121
134V26.1Very low27.6Very low122 Ų122140.3 Ų140.374%0.73978%0.778SS**  trans27.4129.9139.2-175.60000121.3
135V27Very low27.6Very low141 Ų141135.4 Ų135.486%0.85577%0.771SS**  177164.1126.5150.50000109.1
136A25.3Very low27.7Very low91 Ų91135.1 Ų135.175%0.75277%0.77SS**  trans-131.5172.4-174.800000114.4
137K27.4Very low27.2Very low181 Ų181136.7 Ų136.779%0.78777%0.773SS**  trans89.1101.5148.3-166.7-173.9-176.7-178.50120.2
138M23.9Very low27.2Very low177 Ų177137.1 Ų137.187%0.87277%0.774SS**  trans-157.6150.8142.5-75.1-148.883.900106.8
139L22.8Very low27.3Very low135 Ų135137.9 Ų137.971%0.70778%0.782SS**  cis76.5116.715.6-58.1174.4000115.8
140A25.4Very low27.5Very low93 Ų93135.5 Ų135.577%0.76978%0.783SS**  cis-153.8-156.1-4.600000107.4
141S27.8Very low27.3Very low110 Ų110131.2 Ų131.277%0.76978%0.777SS**  cis-166.3-170.99.3-162.30000110.3
142K27.3Very low27.2Very low201 Ų201130.1 Ų130.187%0.87478%0.776SS**  trans73.5138.2176.2-65.3-175.9175.7-177.70116.4
143S25.4Very low27.3Very low116 Ų116128.4 Ų128.481%0.81178%0.777SS**  cis-156.4150.5-3.4450000113.3
144G23.2Very low26.7Very low76 Ų76127.7 Ų127.778%0.78478%0.781SS**  trans-119.9-169.6155.900000110
145A28.4Very low26.7Very low91 Ų91126 Ų12675%0.75278%0.78SS**  cis-162.4-160.51.800000110.2
146E29.1Very low26.8Very low170 Ų170131 Ų13179%0.79478%0.783SS**  trans77.6147.5161.1-62-168.9107.700118.5
147N27.1Very low26.7Very low135 Ų135136.1 Ų136.172%0.72279%0.788SS**  cis-153.6-170.5-4.5-112.6-20.7000114
148C25.2Very low26.7Very low107 Ų107132.8 Ų132.872%0.72379%0.788SS**  trans-110.5152.9-157.3-56.70000119
149L27.1Very low27.3Very low164 Ų164130.8 Ų130.886%0.85979%0.788SS**  trans50168.8140.1-64175.2000120.9
150P35.4Very low27.4Very low113 Ų113131.6 Ų131.673%0.73479%0.786SS**  cis-146.917714.846.1-25.8000120.7
151S26.1Very low27.5Very low99 Ų99133.7 Ų133.769%0.69279%0.789SS**  trans67.3107137.4-69.20000129.7
152T24.9Very low27.4Very low126 Ų126134 Ų13477%0.77378%0.782SS**  74141.611567.80000129
153V28.8Very low27.4Very low139 Ų139128.1 Ų128.184%0.84278%0.779SS**  trans89.7132.4149-136.10000124.7
154A26.5Very low27.4Very low95 Ų95127.8 Ų127.879%0.78578%0.783SS**  trans83.6147.7149.200000122.3
155A27.1Very low27.5Very low87 Ų87128.8 Ų128.872%0.71978%0.784SS**  cis-171.4158.4-25.300000114.1
156R29.1Very low27.6Very low244 Ų244129 Ų12992%0.92179%0.786SS**  trans72.9154167.3-55.6-177.7169.2-169.3-5.4116.9
157K23.6Very low27.4Very low199 Ų199129.9 Ų129.987%0.86579%0.79SS**  cis-133.2165.78.3-67.7178179.9176.30112.6
158S26.4Very low27.7Very low111 Ų111134.7 Ų134.778%0.77680%0.798SS**  trans-88.5177.3172.3-39.50000113.3
159P35.8Very low27.7Very low136 Ų136137.8 Ų137.888%0.88380%0.804SS**  -133.6-177.687.439.8-29.4000114.9
160K24.9Very low28Very low151 Ų151135.4 Ų135.466%0.65780%0.796SS**  trans-146139.5-171.7162.3-178.9169.2-73.50110.4D162K160-D162 IonicContact NZ-OD1 3.82Å; K160-D162 PolarHBondContact NZ-OD1 3.41Å; K160-D162 IonicContact NZ-OD2 2.67Å; K160-D162 PolarHBondContact NZ-OD2 3.18Å
161V28.1Very low27.8Very low137 Ų137137.9 Ų137.983%0.8380%0.802SS**  trans-145.595.5156.4-177.90000104.1
162D25.7Very low28.4Very low116 Ų116137.5 Ų137.562%0.6281%0.805SS**  75.8139.585-75.6-59.9000113.8K160K160-D162 IonicContact NZ-OD1 3.82Å; K160-D162 PolarHBondContact NZ-OD1 3.41Å; K160-D162 IonicContact NZ-OD2 2.67Å; K160-D162 PolarHBondContact NZ-OD2 3.18Å
163G28.2Very low28.7Very low79 Ų79137.8 Ų137.881%0.81480%0.802SS**  trans-158.5176-174.800000111.6
164A24.2Very low29Very low109 Ų109135.5 Ų135.590%0.90179%0.785SS**  trans-128.9151.5-179.400000111.1
165A26.9Very low29.5Very low96 Ų96137.4 Ų137.479%0.79379%0.786SS**  trans-135172175.100000109.5
166A28.5Very low29.9Very low97 Ų97140.1 Ų140.180%0.80279%0.789SS**  trans71.7151-165.200000113.5
167E26.6Very low30.4Very low188 Ų188135.8 Ų135.888%0.87978%0.776SS**  cis-137.9174.42.3-152.3160.3-165.900112.6
168R33Very low31.3Very low236 Ų236130 Ų13089%0.89176%0.758SS**  trans-76.1141.8179.6-58.2175.6-178.2169.30.1110.6
169M25.3Very low32Very low172 Ų172125.8 Ų125.885%0.84773%0.733SS**  trans-131.7134.8141.4-159.5167.389.100110.1
170V32.9Very low32.5Very low114 Ų114119.8 Ų119.869%0.69169%0.693SS**  trans-88.1124.4177.6173.80000108.7A172V170-A172 HydrophobicContact CG1-CB 4.09Å
171L30.8Very low33.6Very low164 Ų164117.9 Ų117.986%0.85969%0.69SS**  trans-118.6107147.4-83.2171.1000106.9
172A39Very low35.1Very low91 Ų91115.8 Ų115.875%0.75267%0.674SS**  trans-83.9125.217800000108.9V170V170-A172 HydrophobicContact CG1-CB 4.09Å
173D31.3Very low37.2Very low132 Ų132110.6 Ų110.671%0.70665%0.647SS**  trans-149.7146.3166.7-149.9-20.1000111.2V175D173-V175 PolarHBondContact O-N 3.15Å
174N34.9Very low39.8Very low92 Ų92113.2 Ų113.249%0.49264%0.636SS.*  trans62.219.7171.2-62.2-79000119.8N176 K177N174-N176 VanDerWaalsContact C-N 3.34Å; N174-N176 PolarHBondContact O-N 2.98Å; N174-K177 WeakPolarHBondContact OD1-CE 3.15Å; N174-K177 PolarHBondContact OD1-NZ 2.93Å
175V36.3Very low42.8Very low134 Ų134108 Ų10881%0.81259%0.593SS**  trans-83.287150.3-177.50000107.9D173D173-V175 PolarHBondContact O-N 3.15Å
176N36.9Very low45.7Very low145 Ų145106.1 Ų106.178%0.77557%0.571SS**  trans163.166.1159-85.9-1.2000109.8N174N174-N176 VanDerWaalsContact C-N 3.34Å; N174-N176 PolarHBondContact O-N 2.98Å
177K39.3Very low48.4Very low152 Ų152104.2 Ų104.266%0.66156%0.555SS**  trans-125.173.3170-83.3174.5174.6161.20109.5N174 G179N174-K177 WeakPolarHBondContact OD1-CE 3.15Å; N174-K177 PolarHBondContact OD1-NZ 2.93Å; K177-G179 PolarHBondContact O-N 2.8Å
178T42.8Very low51.4Low77 Ų7798 Ų9847%0.47253%0.532SS..  trans-70.369.2176.3-35.30000110.1E617T178-E617 PolarHBondContact OG1-OE1 2.85Å
179G41Very low54Low24 Ų2493.3 Ų93.325%0.24752%0.518CS..SBendtrans-176.7121.8-177.300000115.4K177 L181K177-G179 PolarHBondContact O-N 2.8Å; G179-L181 PolarHBondContact O-N 3.25Å
180T46.6Very low57Low10 Ų1088.4 Ų88.46%0.06150%0.501CS..  trans-3.8116.4143.3-45.70000113.6D83 N182 S183 R197D83-T180 HydrophobicContact CB-CG2 4.39Å; D83-T180 WeakPolarHBondContact OD1-CG2 3.43Å; D83-T180 WeakPolarHBondContact OD2-CG2 3.29Å; T180-N182 VanDerWaalsContact C-N 3.27Å; T180-N182 PolarHBondContact O-N 2.88Å; T180-S183 PolarHBondContact O-N 3.42Å; T180-S183 PolarHBondContact O-OG 3.07Å; T180-R197 VanDerWaalsContact CG2-NH2 3.35Å; T180-R197 PolarHBondContact OG1-NH2 3.19Å
181L48Very low59.4Low111 Ų11186.5 Ų86.558%0.58148%0.484SS*.THydrogen-bonded Turntrans-74.2-17.9-169.3-81.2162.4000113.4D83 A86 L87 G179D83-L181 PolarHBondContact OD1-N 3.36Å; A86-L181 HydrophobicContact CB-CB 4.36Å; A86-L181 HydrophobicContact CB-CD1 3.57Å; A86-L181 WeakPolarHBondContact O-CD1 3.28Å; L87-L181 HydrophobicContact CD2-CD1 3.87Å; L87-L181 HydrophobicContact CD2-CG 3.85Å; L87-L181 HydrophobicContact CG-CD1 4.45Å; G179-L181 PolarHBondContact O-N 3.25Å
182N59.3Low61.9Low92 Ų9278.7 Ų78.749%0.49244%0.443SS..THydrogen-bonded Turntrans-109.821.8173.4-158.722.5000114.8D83 T180 K184 L204D83-N182 PolarHBondContact OD1-N 2.87Å; T180-N182 VanDerWaalsContact C-N 3.27Å; T180-N182 PolarHBondContact O-N 2.88Å; N182-K184 PolarHBondContact O-N 3.05Å; N182-L204 WeakPolarHBondContact O-CD2 3.38Å
183S69.4Low63.9Low7 Ų776 Ų765%0.04942%0.415CS..  trans-74.725.7179.857.50000115.7T180 H191 V192T180-S183 PolarHBondContact O-N 3.42Å; T180-S183 PolarHBondContact O-OG 3.07Å; S183-H191 CarbonylContact O-C 3.4Å; S183-H191 WeakPolarHBondContact O-CA 3.46Å; S183-H191 PolarHBondContact OG-CD2 3.22Å; S183-H191 PolarHBondContact OG-NE2 3.47Å; S183-V192 PolarHBondContact O-N 3.2Å
184K83.4Confident66.1Low135 Ų13571.5 Ų71.559%0.58739%0.391SS*.BIsolated β-bridgetrans-101.6130.1-179.2-70-176.3-178.9178.90112.2N182 V186 S190N182-K184 PolarHBondContact O-N 3.05Å; K184-V186 PolarHBondContact O-N 2.91Å; K184-S190 WeakPolarHBondContact CA-O 3.47Å
185C86.5Confident68.2Low0 Ų067.3 Ų67.30%037%0.369CS..  trans-63.3125174.81760000110.4A187 C188 K189 S190 V192 L204 H206C185-A187 PolarHBondContact O-N 2.86Å; C185-C188 VanDerWaalsContact CB-SG 3.51Å; C185-K189 WeakPolarHBondContact O-CA 3.32Å; C185-K189 PolarHBondContact O-N 3.38Å; C185-S190 PolarHBondContact N-O 3.23Å; C185-V192 HydrophobicContact CB-CG2 3.61Å; C185-L204 CarbonylContact C-O 3.59Å; C185-L204 WeakPolarHBondContact CA-O 3.47Å; C185-H206 VanDerWaalsContact CB-ND1 3.27Å; C185-H206 WeakPolarHBondContact CB-ND1 3.03Å; C185-H206 PolarHBondContact SG-N 3.02Å; C185-H206 PolarHBondContact SG-ND1 3.09Å; C185-H206 VanDerWaalsContact SG-ND1 3.45Å
186V87.3Confident70.5Confident56 Ų5662.5 Ų62.534%0.33934%0.337SS..THydrogen-bonded Turntrans-63.3-28.2-178.4168.70000112.1K184 K189 K203 L204 Y205K184-V186 PolarHBondContact O-N 2.91Å; V186-K189 WeakPolarHBondContact O-CE 3.49Å; V186-K189 PolarHBondContact O-NZ 2.93Å; V186-K203 HydrophobicContact CG2-CB 3.97Å; V186-K203 HydrophobicContact CG2-CG 4.41Å; V186-L204 PolarHBondContact N-O 3.46Å; V186-Y205 HydrophobicContact CB-CD1 4.35Å; V186-Y205 HydrophobicContact CB-CE1 3.83Å; V186-Y205 HydrophobicContact CG1-CE1 4.12Å
187A86.7Confident72.6Confident57 Ų5757.9 Ų57.947%0.47131%0.309SS..THydrogen-bonded Turntrans-77.2-67.3174.800000112.6C185 Y205 C209C185-A187 PolarHBondContact O-N 2.86Å; A187-Y205 HydrophobicContact CB-CD1 4.1Å; A187-Y205 HydrophobicContact CB-CE1 4.29Å; A187-C209 HydrophobicContact CB-CB 4.11Å
188C89.3Confident74.3Confident57 Ų5751.5 Ų51.539%0.38528%0.281SS..THydrogen-bonded Turntrans-90.7-4.8-17171.30000115.3C185 S190 H206C185-C188 VanDerWaalsContact CB-SG 3.51Å; C188-S190 PolarHBondContact O-N 2.66Å; C188-H206 PolarHBondContact SG-CE1 3.2Å; C188-H206 PolarHBondContact SG-ND1 3.19Å; C188-H206 VanDerWaalsContact SG-ND1 3.36Å
189K87.8Confident75.7Confident138 Ų13849.8 Ų49.860%0.627%0.268SS*.  trans63.3-6-178.1-45.9-52.8-175.1-172.70116.6C185 V186C185-K189 WeakPolarHBondContact O-CA 3.32Å; C185-K189 PolarHBondContact O-N 3.38Å; V186-K189 WeakPolarHBondContact O-CE 3.49Å; V186-K189 PolarHBondContact O-NZ 2.93Å
190S87.1Confident77.1Confident69 Ų6948.7 Ų48.748%0.48326%0.256SS..SBendtrans-70.6161.7174.4-57.60000113.3K184 C185 C188K184-S190 WeakPolarHBondContact CA-O 3.47Å; C185-S190 PolarHBondContact N-O 3.23Å; C188-S190 PolarHBondContact O-N 2.66Å
191H83.8Confident78.1Confident74 Ų7452.3 Ų52.334%0.34327%0.272SS..BIsolated β-bridgetrans-62.3141.9175.7-173.7-100.8000112.6S183 H193 H206S183-H191 CarbonylContact O-C 3.4Å; S183-H191 WeakPolarHBondContact O-CA 3.46Å; S183-H191 PolarHBondContact OG-CD2 3.22Å; S183-H191 PolarHBondContact OG-NE2 3.47Å; H191-H193 AromaticContact CE1-CE1 3.8Å; H191-H193 AromaticContact CE1-ND1 3.86Å; H191-H193 AromaticContact CE1-NE2 4Å; H191-H193 AromaticContact ND1-CD2 3.59Å; H191-H193 AromaticContact ND1-CE1 3.58Å; H191-H193 AromaticContact ND1-CG 3.94Å; H191-H193 AromaticContact ND1-ND1 3.92Å; H191-H193 AromaticContact ND1-NE2 3.33Å; H191-H193 PolarHBondContact ND1-NE2 3.07Å; H191-H206 PolarHBondContact O-CE1 3.4Å; H191-H206 PolarHBondContact O-NE2 2.89Å
192V82.4Confident78.9Confident0 Ų049.1 Ų49.10%027%0.266CS..  trans-117.5110.6178.1-170.80000108.6S183 C185 Q196 R197 L204S183-V192 PolarHBondContact O-N 3.2Å; C185-V192 HydrophobicContact CB-CG2 3.61Å; V192-Q196 HydrophobicContact CG1-CB 3.75Å; V192-R197 HydrophobicContact CG1-CB 4.44Å; V192-R197 HydrophobicContact CG1-CG 4.08Å; V192-L204 HydrophobicContact CB-CD2 3.99Å; V192-L204 HydrophobicContact CB-CG 4.23Å; V192-L204 HydrophobicContact CG1-CD1 4.14Å; V192-L204 HydrophobicContact CG1-CD2 4.46Å; V192-L204 HydrophobicContact CG1-CG 4.35Å; V192-L204 HydrophobicContact CG2-CD2 4.18Å; V192-L204 HydrophobicContact CG2-CG 4.09Å
193H82.2Confident79.6Confident35 Ų3547.8 Ų47.816%0.16226%0.256CS..  trans-66.1159.4176.2-75.2-80.5000111.8H191 V195 Q196 R197 V606 E609H191-H193 AromaticContact CE1-CE1 3.8Å; H191-H193 AromaticContact CE1-ND1 3.86Å; H191-H193 AromaticContact CE1-NE2 4Å; H191-H193 AromaticContact ND1-CD2 3.59Å; H191-H193 AromaticContact ND1-CE1 3.58Å; H191-H193 AromaticContact ND1-CG 3.94Å; H191-H193 AromaticContact ND1-ND1 3.92Å; H191-H193 AromaticContact ND1-NE2 3.33Å; H191-H193 PolarHBondContact ND1-NE2 3.07Å; H193-V195 HydrophobicContact CB-CG1 4.4Å; H193-V195 PolarHBondContact O-N 3.21Å; H193-Q196 HydrophobicContact CB-CG 4.12Å; H193-Q196 WeakPolarHBondContact O-CA 3.39Å; H193-Q196 WeakPolarHBondContact O-CB 3.3Å; H193-Q196 PolarHBondContact O-N 3.02Å; H193-R197 WeakPolarHBondContact O-CG 3.49Å; H193-R197 PolarHBondContact O-N 3.3Å; H193-V606 HydrophobicContact CB-CG2 3.77Å; H193-E609 WeakPolarHBondContact CA-OE2 3.47Å; H193-E609 VanDerWaalsContact CB-OE2 3.23Å; H193-E609 WeakPolarHBondContact CB-OE2 3.16Å; H193-E609 IonicContact CG-OE2 2.63Å; H193-E609 IonicContact ND1-OE1 2.9Å; H193-E609 PolarHBondContact ND1-OE1 3.33Å; H193-E609 IonicContact ND1-OE2 2.58Å; H193-E609 PolarHBondContact ND1-OE2 3.12Å
194L77.8Confident80.1Confident36 Ų3647.6 Ų47.619%0.18825%0.254CS..G310 helixtrans-51.3-45.9-178.1-88.461.5000111.2L93 Q196 R197 E609 W632L93-L194 HydrophobicContact CG-CD2 4.34Å; L194-Q196 PolarHBondContact O-N 3.23Å; L194-R197 PolarHBondContact O-N 3.32Å; L194-E609 WeakPolarHBondContact CB-OE2 3.49Å; L194-E609 PolarHBondContact N-OE2 2.89Å; L194-W632 HydrophobicContact CB-CH2 3.83Å; L194-W632 HydrophobicContact CB-CZ2 3.94Å; L194-W632 HydrophobicContact CD2-CH2 4.47Å; L194-W632 HydrophobicContact CD2-CZ2 3.92Å
195V78.9Confident80.1Confident5 Ų541.6 Ų41.63%0.0323%0.228CC..G310 helixtrans-64.7-25.4178.371.10000113.3H193 E602 V606 W632 L635 I636 K639H193-V195 HydrophobicContact CB-CG1 4.4Å; H193-V195 PolarHBondContact O-N 3.21Å; V195-E602 HydrophobicContact CG2-CG 4.49Å; V195-V606 HydrophobicContact CG1-CG2 4.13Å; V195-W632 HydrophobicContact CB-CH2 4.21Å; V195-W632 HydrophobicContact CB-CZ3 4.31Å; V195-L635 HydrophobicContact CG2-CD2 3.62Å; V195-I636 HydrophobicContact CG2-CD1 4.32Å; V195-K639 HydrophobicContact CG2-CD 4.2Å; V195-K639 PolarHBondContact O-NZ 3.36Å
196Q83.6Confident80.1Confident32 Ų3242.4 Ų42.415%0.1523%0.232CC..G310 helixtrans-95-7-173.9-59.2-173.6-59.500113.8V192 H193 L194 H198 E602 V606V192-Q196 HydrophobicContact CG1-CB 3.75Å; H193-Q196 HydrophobicContact CB-CG 4.12Å; H193-Q196 WeakPolarHBondContact O-CA 3.39Å; H193-Q196 WeakPolarHBondContact O-CB 3.3Å; H193-Q196 PolarHBondContact O-N 3.02Å; L194-Q196 PolarHBondContact O-N 3.23Å; Q196-H198 PolarHBondContact O-N 2.81Å; Q196-H198 VanDerWaalsContact O-N 3.13Å; Q196-E602 HydrophobicContact CG-CB 4.17Å; Q196-E602 HydrophobicContact CG-CG 4.24Å; Q196-V606 VanDerWaalsContact CD-CG2 3.41Å; Q196-V606 HydrophobicContact CG-CG2 3.78Å
197R81.3Confident80Confident48 Ų4840.3 Ų40.318%0.18122%0.218CC..EExtended strand (participates in β ladder)trans-63.3115.9-173.2-62.6-165.1-173-167.24.3111.3D80 T180 V192 H193 L194 F199 L204D80-R197 IonicContact OD2-NH1 2.71Å; T180-R197 VanDerWaalsContact CG2-NH2 3.35Å; T180-R197 PolarHBondContact OG1-NH2 3.19Å; V192-R197 HydrophobicContact CG1-CB 4.44Å; V192-R197 HydrophobicContact CG1-CG 4.08Å; H193-R197 WeakPolarHBondContact O-CG 3.49Å; H193-R197 PolarHBondContact O-N 3.3Å; L194-R197 PolarHBondContact O-N 3.32Å; R197-F199 HydrophobicContact CB-CD2 4.24Å; R197-F199 HydrophobicContact CB-CE2 3.99Å; R197-F199 HydrophobicContact CG-CE2 4.4Å; R197-L204 HydrophobicContact CB-CD1 3.74Å; R197-L204 HydrophobicContact CG-CD1 3.96Å
198H75.9Confident79.9Confident19 Ų1940 Ų409%0.08821%0.213CC..EExtended strand (participates in β ladder)trans-119.4102169.6-173.475.5000108.8Q196 V200 Y205 R207 F210Q196-H198 PolarHBondContact O-N 2.81Å; Q196-H198 VanDerWaalsContact O-N 3.13Å; H198-V200 WeakPolarHBondContact NE2-CG2 3.34Å; H198-Y205 WeakPolarHBondContact CB-O 3.3Å; H198-Y205 PolarHBondContact N-O 3.28Å; H198-Y205 PolarHBondContact O-N 3.47Å; H198-R207 HydrophobicContact CB-CB 4.11Å; H198-R207 HydrophobicContact CB-CG 4.43Å; H198-F210 AromaticContact CD2-CD1 3.83Å; H198-F210 AromaticContact CD2-CG 3.71Å; H198-F210 AromaticContact NE2-CD1 3.37Å; H198-F210 WeakPolarHBondContact NE2-CD1 3.34Å; H198-F210 AromaticContact NE2-CG 3.77Å
199F72.2Confident79.9Confident41 Ų4139.1 Ų39.118%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-92.4132.1-179.8-75-82.5000111.4D80 R197 K203 L204 Q304D80-F199 WeakPolarHBondContact OD2-CZ 3.33Å; R197-F199 HydrophobicContact CB-CD2 4.24Å; R197-F199 HydrophobicContact CB-CE2 3.99Å; R197-F199 HydrophobicContact CG-CE2 4.4Å; F199-K203 WeakPolarHBondContact CA-O 3.39Å; F199-L204 HydrophobicContact CD1-CB 4.05Å; F199-L204 HydrophobicContact CD1-CD1 4.02Å; F199-L204 HydrophobicContact CD2-CD1 4.07Å; F199-L204 HydrophobicContact CE1-CB 3.82Å; F199-L204 HydrophobicContact CE1-CD1 3.88Å; F199-L204 HydrophobicContact CE1-CD2 4.47Å; F199-L204 HydrophobicContact CE1-CG 4.26Å; F199-L204 HydrophobicContact CE2-CD1 3.93Å; F199-L204 HydrophobicContact CG-CD1 4.14Å; F199-L204 HydrophobicContact CZ-CB 4.5Å; F199-L204 HydrophobicContact CZ-CD1 3.85Å; F199-L204 HydrophobicContact CZ-CD2 4.4Å; F199-L204 HydrophobicContact CZ-CG 4.48Å; F199-Q304 PolarHBondContact O-NE2 3.48Å
200V68.8Low80Confident1 Ų132.6 Ų32.61%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-139.8128.8174.3169.70000108.5H198 G202 K203 Y205 F210 Y224 F233H198-V200 WeakPolarHBondContact NE2-CG2 3.34Å; V200-G202 VanDerWaalsContact C-N 3.25Å; V200-G202 PolarHBondContact O-N 3Å; V200-K203 PolarHBondContact N-O 3.44Å; V200-K203 WeakPolarHBondContact O-CA 2.99Å; V200-K203 WeakPolarHBondContact O-CB 3.36Å; V200-K203 PolarHBondContact O-N 3.05Å; V200-Y205 HydrophobicContact CB-CD2 4.49Å; V200-Y205 HydrophobicContact CB-CE2 4.36Å; V200-F210 HydrophobicContact CB-CD2 4.44Å; V200-F210 HydrophobicContact CB-CE2 3.88Å; V200-F210 HydrophobicContact CB-CZ 4.11Å; V200-F210 HydrophobicContact CG1-CE2 3.74Å; V200-F210 HydrophobicContact CG1-CZ 3.74Å; V200-F210 HydrophobicContact CG2-CD1 4.29Å; V200-F210 HydrophobicContact CG2-CD2 4.2Å; V200-F210 HydrophobicContact CG2-CE1 3.95Å; V200-F210 HydrophobicContact CG2-CE2 3.83Å; V200-F210 HydrophobicContact CG2-CG 4.44Å; V200-F210 HydrophobicContact CG2-CZ 3.73Å; V200-Y224 HydrophobicContact CG1-CE2 3.99Å; V200-Y224 WeakPolarHBondContact CG1-OH 3.39Å; V200-F233 HydrophobicContact CG1-CE1 4Å; V200-F233 HydrophobicContact CG1-CZ 3.88Å
201E68.8Low80.1Confident85 Ų8532.8 Ų32.840%0.39717%0.17SC..THydrogen-bonded Turntrans51.937.3179.8-59.3-179.817000114.5K203 F233E201-K203 PolarHBondContact O-N 2.74Å; E201-K203 IonicContact OE2-NZ 3.25Å; E201-K203 PolarHBondContact OE2-NZ 3.3Å; E201-F233 HydrophobicContact CG-CE1 4.4Å; E201-F233 HydrophobicContact CG-CZ 4.37Å; E201-F233 WeakPolarHBondContact OE1-CE1 3.01Å; E201-F233 WeakPolarHBondContact OE2-CZ 3Å
202G64.4Low80.3Confident44 Ų4429.4 Ų29.445%0.45415%0.154SC..THydrogen-bonded Turntrans70.110.2-17600000114.7V200V200-G202 VanDerWaalsContact C-N 3.25Å; V200-G202 PolarHBondContact O-N 3Å
203K74.4Confident80.6Confident64 Ų6433 Ų3328%0.27818%0.176SC..EExtended strand (participates in β ladder)trans-109.7137.9177.3-64.1158.5-162.4150.70109.7V186 F199 V200 E201 Y205V186-K203 HydrophobicContact CG2-CB 3.97Å; V186-K203 HydrophobicContact CG2-CG 4.41Å; F199-K203 WeakPolarHBondContact CA-O 3.39Å; V200-K203 PolarHBondContact N-O 3.44Å; V200-K203 WeakPolarHBondContact O-CA 2.99Å; V200-K203 WeakPolarHBondContact O-CB 3.36Å; V200-K203 PolarHBondContact O-N 3.05Å; E201-K203 PolarHBondContact O-N 2.74Å; E201-K203 IonicContact OE2-NZ 3.25Å; E201-K203 PolarHBondContact OE2-NZ 3.3Å; K203-Y205 HydrophobicContact CB-CD2 4.45Å; K203-Y205 HydrophobicContact CB-CE2 3.63Å
204L79Confident80.7Confident3 Ų335.2 Ų35.22%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-91.6135.2179.5-177.257.1000111.5N182 C185 V186 V192 R197 F199N182-L204 WeakPolarHBondContact O-CD2 3.38Å; C185-L204 CarbonylContact C-O 3.59Å; C185-L204 WeakPolarHBondContact CA-O 3.47Å; V186-L204 PolarHBondContact N-O 3.46Å; V192-L204 HydrophobicContact CB-CD2 3.99Å; V192-L204 HydrophobicContact CB-CG 4.23Å; V192-L204 HydrophobicContact CG1-CD1 4.14Å; V192-L204 HydrophobicContact CG1-CD2 4.46Å; V192-L204 HydrophobicContact CG1-CG 4.35Å; V192-L204 HydrophobicContact CG2-CD2 4.18Å; V192-L204 HydrophobicContact CG2-CG 4.09Å; R197-L204 HydrophobicContact CB-CD1 3.74Å; R197-L204 HydrophobicContact CG-CD1 3.96Å; F199-L204 HydrophobicContact CD1-CB 4.05Å; F199-L204 HydrophobicContact CD1-CD1 4.02Å; F199-L204 HydrophobicContact CD2-CD1 4.07Å; F199-L204 HydrophobicContact CE1-CB 3.82Å; F199-L204 HydrophobicContact CE1-CD1 3.88Å; F199-L204 HydrophobicContact CE1-CD2 4.47Å; F199-L204 HydrophobicContact CE1-CG 4.26Å; F199-L204 HydrophobicContact CE2-CD1 3.93Å; F199-L204 HydrophobicContact CG-CD1 4.14Å; F199-L204 HydrophobicContact CZ-CB 4.5Å; F199-L204 HydrophobicContact CZ-CD1 3.85Å; F199-L204 HydrophobicContact CZ-CD2 4.4Å; F199-L204 HydrophobicContact CZ-CG 4.48Å
205Y83.8Confident81.1Confident10 Ų1035.7 Ų35.74%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-132.1159.7172.2-60-96.1000109.7V186 A187 H198 V200 K203 F210V186-Y205 HydrophobicContact CB-CD1 4.35Å; V186-Y205 HydrophobicContact CB-CE1 3.83Å; V186-Y205 HydrophobicContact CG1-CE1 4.12Å; A187-Y205 HydrophobicContact CB-CD1 4.1Å; A187-Y205 HydrophobicContact CB-CE1 4.29Å; H198-Y205 WeakPolarHBondContact CB-O 3.3Å; H198-Y205 PolarHBondContact N-O 3.28Å; H198-Y205 PolarHBondContact O-N 3.47Å; V200-Y205 HydrophobicContact CB-CD2 4.49Å; V200-Y205 HydrophobicContact CB-CE2 4.36Å; K203-Y205 HydrophobicContact CB-CD2 4.45Å; K203-Y205 HydrophobicContact CB-CE2 3.63Å; Y205-F210 HydrophobicContact CD1-CD2 4.19Å; Y205-F210 AromaticContact CD2-CD2 3.88Å; Y205-F210 HydrophobicContact CD2-CD2 3.88Å; Y205-F210 HydrophobicContact CE1-CD2 4.33Å; Y205-F210 HydrophobicContact CE2-CD2 4.04Å; Y205-F210 HydrophobicContact CE2-CE2 4.33Å; Y205-F210 HydrophobicContact CG-CB 4.31Å; Y205-F210 AromaticContact CG-CD2 3.98Å; Y205-F210 HydrophobicContact CG-CD2 3.98Å
206H86.7Confident81.4Confident16 Ų1639.2 Ų39.27%0.07422%0.218CC..EExtended strand (participates in β ladder)trans-71.3146.1150.8-55.994.2000108.2C185 C188 H191 S208 C209 F210C185-H206 VanDerWaalsContact CB-ND1 3.27Å; C185-H206 WeakPolarHBondContact CB-ND1 3.03Å; C185-H206 PolarHBondContact SG-N 3.02Å; C185-H206 PolarHBondContact SG-ND1 3.09Å; C185-H206 VanDerWaalsContact SG-ND1 3.45Å; C188-H206 PolarHBondContact SG-CE1 3.2Å; C188-H206 PolarHBondContact SG-ND1 3.19Å; C188-H206 VanDerWaalsContact SG-ND1 3.36Å; H191-H206 PolarHBondContact O-CE1 3.4Å; H191-H206 PolarHBondContact O-NE2 2.89Å; H206-S208 VanDerWaalsContact C-N 3.29Å; H206-S208 PolarHBondContact O-N 2.83Å; H206-C209 HydrophobicContact CB-CB 4.02Å; H206-C209 WeakPolarHBondContact O-CA 3.5Å; H206-C209 WeakPolarHBondContact O-CB 3.37Å; H206-C209 PolarHBondContact O-N 2.84Å; H206-F210 PolarHBondContact O-N 3.39Å
207R85.1Confident81.3Confident12 Ų1238.7 Ų38.75%0.04522%0.217CC..G310 helixtrans-56.1-44.6179.3-158.8-174.4152.9-681111.6H198 C209 F210 V218 E595 E646H198-R207 HydrophobicContact CB-CB 4.11Å; H198-R207 HydrophobicContact CB-CG 4.43Å; R207-C209 PolarHBondContact O-N 3.43Å; R207-F210 PolarHBondContact O-N 2.6Å; R207-V218 WeakPolarHBondContact O-CG1 3.42Å; R207-E595 IonicContact CZ-OE1 3.28Å; R207-E595 IonicContact CZ-OE2 3.65Å; R207-E595 IonicContact NH1-OE1 3.76Å; R207-E595 PolarHBondContact NH1-OE1 2.93Å; R207-E595 IonicContact NH1-OE2 3.12Å; R207-E595 PolarHBondContact NH1-OE2 3.43Å; R207-E595 IonicContact NH2-OE2 2.7Å; R207-E595 PolarHBondContact NH2-OE2 2.86Å; R207-E646 IonicContact CZ-OE1 2.68Å; R207-E646 IonicContact NH2-OE1 3.29Å; R207-E646 PolarHBondContact NH2-OE1 3.03Å; R207-E646 IonicContact NH2-OE2 3.62Å
208S85.8Confident81.4Confident52 Ų5237 Ų3736%0.36421%0.213SC..G310 helixtrans-69.2-11.1175.659.20000115.7H206 K211H206-S208 VanDerWaalsContact C-N 3.29Å; H206-S208 PolarHBondContact O-N 2.83Å; S208-K211 WeakPolarHBondContact O-CD 3.44Å; S208-K211 WeakPolarHBondContact O-CE 3.3Å
209C88.8Confident81.8Confident37 Ų3736.3 Ų36.325%0.2521%0.209CC..G310 helixtrans-97.3-11.4174.1-72.90000113.3A187 H206 R207 K211A187-C209 HydrophobicContact CB-CB 4.11Å; H206-C209 HydrophobicContact CB-CB 4.02Å; H206-C209 WeakPolarHBondContact O-CA 3.5Å; H206-C209 WeakPolarHBondContact O-CB 3.37Å; H206-C209 PolarHBondContact O-N 2.84Å; R207-C209 PolarHBondContact O-N 3.43Å; C209-K211 PolarHBondContact O-N 3.16Å; C209-K211 VanDerWaalsContact O-N 3.16Å
210F88.9Confident81.8Confident2 Ų235.2 Ų35.21%0.00921%0.205CC..  trans-85.784.5176.2-171.8-108000109.3H198 V200 Y205 H206 R207 L219 Y224 F233H198-F210 AromaticContact CD2-CD1 3.83Å; H198-F210 AromaticContact CD2-CG 3.71Å; H198-F210 AromaticContact NE2-CD1 3.37Å; H198-F210 WeakPolarHBondContact NE2-CD1 3.34Å; H198-F210 AromaticContact NE2-CG 3.77Å; V200-F210 HydrophobicContact CB-CD2 4.44Å; V200-F210 HydrophobicContact CB-CE2 3.88Å; V200-F210 HydrophobicContact CB-CZ 4.11Å; V200-F210 HydrophobicContact CG1-CE2 3.74Å; V200-F210 HydrophobicContact CG1-CZ 3.74Å; V200-F210 HydrophobicContact CG2-CD1 4.29Å; V200-F210 HydrophobicContact CG2-CD2 4.2Å; V200-F210 HydrophobicContact CG2-CE1 3.95Å; V200-F210 HydrophobicContact CG2-CE2 3.83Å; V200-F210 HydrophobicContact CG2-CG 4.44Å; V200-F210 HydrophobicContact CG2-CZ 3.73Å; Y205-F210 HydrophobicContact CD1-CD2 4.19Å; Y205-F210 AromaticContact CD2-CD2 3.88Å; Y205-F210 HydrophobicContact CD2-CD2 3.88Å; Y205-F210 HydrophobicContact CE1-CD2 4.33Å; Y205-F210 HydrophobicContact CE2-CD2 4.04Å; Y205-F210 HydrophobicContact CE2-CE2 4.33Å; Y205-F210 HydrophobicContact CG-CB 4.31Å; Y205-F210 AromaticContact CG-CD2 3.98Å; Y205-F210 HydrophobicContact CG-CD2 3.98Å; H206-F210 PolarHBondContact O-N 3.39Å; R207-F210 PolarHBondContact O-N 2.6Å; F210-L219 HydrophobicContact CD1-CB 3.61Å; F210-L219 HydrophobicContact CD1-CD1 4.48Å; F210-L219 WeakPolarHBondContact CD1-O 3.35Å; F210-L219 HydrophobicContact CE1-CB 3.44Å; F210-L219 VanDerWaalsContact CE1-CB 3.44Å; F210-L219 HydrophobicContact CE1-CD1 4.01Å; F210-L219 HydrophobicContact CE1-CG 4.38Å; F210-L219 HydrophobicContact CZ-CB 4.38Å; F210-L219 HydrophobicContact CZ-CD1 4.16Å; F210-L219 PolarHBondContact O-N 3.48Å; F210-Y224 AromaticContact CE1-CD1 3.55Å; F210-Y224 HydrophobicContact CE1-CD1 3.55Å; F210-Y224 HydrophobicContact CE1-CD2 4.47Å; F210-Y224 AromaticContact CE1-CE1 3.5Å; F210-Y224 HydrophobicContact CE1-CE1 3.5Å; F210-Y224 HydrophobicContact CE1-CE2 4.47Å; F210-Y224 HydrophobicContact CE1-CG 4.05Å; F210-Y224 AromaticContact CZ-CD1 3.93Å; F210-Y224 HydrophobicContact CZ-CD1 3.93Å; F210-Y224 HydrophobicContact CZ-CD2 4.02Å; F210-Y224 AromaticContact CZ-CE1 3.8Å; F210-Y224 HydrophobicContact CZ-CE1 3.8Å; F210-Y224 AromaticContact CZ-CE2 3.94Å; F210-Y224 HydrophobicContact CZ-CE2 3.94Å; F210-Y224 HydrophobicContact CZ-CG 4.04Å; F210-Y224 AromaticContact CZ-CZ 3.83Å; F210-F233 HydrophobicContact CD2-CD2 4.35Å; F210-F233 HydrophobicContact CE2-CB 4.37Å; F210-F233 HydrophobicContact CE2-CD1 4.26Å; F210-F233 AromaticContact CE2-CD2 3.44Å; F210-F233 HydrophobicContact CE2-CD2 3.44Å; F210-F233 VanDerWaalsContact CE2-CD2 3.44Å; F210-F233 HydrophobicContact CE2-CE1 4.43Å; F210-F233 AromaticContact CE2-CE2 3.66Å; F210-F233 HydrophobicContact CE2-CE2 3.66Å; F210-F233 AromaticContact CE2-CG 3.76Å; F210-F233 HydrophobicContact CE2-CG 3.76Å; F210-F233 HydrophobicContact CE2-CZ 4.15Å; F210-F233 HydrophobicContact CZ-CB 4.21Å; F210-F233 HydrophobicContact CZ-CD1 4.07Å; F210-F233 HydrophobicContact CZ-CD2 4.01Å; F210-F233 HydrophobicContact CZ-CE1 4.45Å; F210-F233 HydrophobicContact CZ-CE2 4.4Å; F210-F233 AromaticContact CZ-CG 3.82Å; F210-F233 HydrophobicContact CZ-CG 3.82Å
211K89.2Confident81.7Confident73 Ų7336.6 Ų36.632%0.31721%0.213SC..BIsolated β-bridgetrans-121.4151.9-167.1-76-176.8154.2-156.40113.1S208 C209 S216 C217 V218 E373S208-K211 WeakPolarHBondContact O-CD 3.44Å; S208-K211 WeakPolarHBondContact O-CE 3.3Å; C209-K211 PolarHBondContact O-N 3.16Å; C209-K211 VanDerWaalsContact O-N 3.16Å; K211-S216 WeakPolarHBondContact CD-O 3.42Å; K211-S216 WeakPolarHBondContact CE-O 3.19Å; K211-S216 WeakPolarHBondContact CG-O 3.4Å; K211-S216 PolarHBondContact NZ-O 3.29Å; K211-C217 CarbonylContact C-O 3.5Å; K211-C217 VanDerWaalsContact CA-O 3.3Å; K211-C217 WeakPolarHBondContact CA-O 3.09Å; K211-V218 HydrophobicContact CG-CG2 4.15Å; K211-E373 IonicContact NZ-OE2 2.73Å
212C88.8Confident81.5Confident2 Ų232.6 Ų32.61%0.01419%0.194CC..  trans-65.5129.8176.3-176.10000111.2E214 C215 S216 C217 L219 F233 C235C212-E214 PolarHBondContact O-N 3.27Å; C212-C215 VanDerWaalsContact CB-SG 3.59Å; C212-S216 VanDerWaalsContact O-CA 3.24Å; C212-S216 WeakPolarHBondContact O-CA 3.43Å; C212-S216 PolarHBondContact O-N 2.96Å; C212-C217 PolarHBondContact N-O 3.44Å; C212-L219 HydrophobicContact CB-CD2 3.78Å; C212-L219 HydrophobicContact CB-CG 4.22Å; C212-F233 WeakPolarHBondContact CA-O 3.25Å; C212-C235 PolarHBondContact SG-N 2.74Å; C212-C235 VanDerWaalsContact SG-N 3.38Å
213T87.8Confident81.8Confident75 Ų7531.2 Ų31.246%0.4618%0.178SC..THydrogen-bonded Turntrans-72-7.9179.955.60000114.5M232 F233T213-M232 HydrophobicContact CG2-CB 3.9Å; T213-M232 HydrophobicContact CG2-CG 4.06Å; T213-F233 PolarHBondContact N-O 2.93Å; T213-F233 PolarHBondContact OG1-O 2.7Å
214E85.1Confident82.2Confident82 Ų8228.2 Ų28.238%0.38317%0.165SC..THydrogen-bonded Turntrans-109-30.8-179.4-65.6-173.7-150.100113.5C212 H238C212-E214 PolarHBondContact O-N 3.27Å; E214-H238 HydrophobicContact CB-CB 4.13Å; E214-H238 HydrophobicContact CG-CB 4.49Å; E214-H238 WeakPolarHBondContact OE2-CB 3.26Å; E214-H238 IonicContact OE2-CD2 3.76Å; E214-H238 PolarHBondContact OE2-CD2 2.93Å; E214-H238 VanDerWaalsContact OE2-CD2 3.25Å; E214-H238 IonicContact OE2-CG 3.35Å
215C86.6Confident82.1Confident47 Ų4728.8 Ų28.832%0.31817%0.167SC..THydrogen-bonded Turntrans-124.1-1.2177.260.70000116C212 C217C212-C215 VanDerWaalsContact CB-SG 3.59Å; C215-C217 PolarHBondContact O-N 2.87Å; C215-C217 VanDerWaalsContact SG-SG 3.61Å
216S85.1Confident82Confident78 Ų7832 Ų3255%0.54519%0.189SC..  trans57.55.3-178.3-58.40000116.5K211 C212K211-S216 WeakPolarHBondContact CD-O 3.42Å; K211-S216 WeakPolarHBondContact CE-O 3.19Å; K211-S216 WeakPolarHBondContact CG-O 3.4Å; K211-S216 PolarHBondContact NZ-O 3.29Å; C212-S216 VanDerWaalsContact O-CA 3.24Å; C212-S216 WeakPolarHBondContact O-CA 3.43Å; C212-S216 PolarHBondContact O-N 2.96Å
217C80.8Confident81.5Confident22 Ų2232.4 Ų32.415%0.14920%0.198CC..PPolyproline II helixtrans-60.8148167.2-56.10000110.3K211 C212 C215K211-C217 CarbonylContact C-O 3.5Å; K211-C217 VanDerWaalsContact CA-O 3.3Å; K211-C217 WeakPolarHBondContact CA-O 3.09Å; C212-C217 PolarHBondContact N-O 3.44Å; C215-C217 PolarHBondContact O-N 2.87Å; C215-C217 VanDerWaalsContact SG-SG 3.61Å
218V84.2Confident81.1Confident13 Ų1340.7 Ų40.78%0.07923%0.234CC..BIsolated β-bridgetrans-64.1142.9172.1-1790000109.2R207 K211R207-V218 WeakPolarHBondContact O-CG1 3.42Å; K211-V218 HydrophobicContact CG-CG2 4.15Å
219L83.9Confident80.2Confident3 Ų340.7 Ų40.72%0.01623%0.234CC..PPolyproline II helixtrans-100.6116.4-179.7-66.9174.6000109.6F210 C212 Y224 F233 C235F210-L219 HydrophobicContact CD1-CB 3.61Å; F210-L219 HydrophobicContact CD1-CD1 4.48Å; F210-L219 WeakPolarHBondContact CD1-O 3.35Å; F210-L219 HydrophobicContact CE1-CB 3.44Å; F210-L219 VanDerWaalsContact CE1-CB 3.44Å; F210-L219 HydrophobicContact CE1-CD1 4.01Å; F210-L219 HydrophobicContact CE1-CG 4.38Å; F210-L219 HydrophobicContact CZ-CB 4.38Å; F210-L219 HydrophobicContact CZ-CD1 4.16Å; F210-L219 PolarHBondContact O-N 3.48Å; C212-L219 HydrophobicContact CB-CD2 3.78Å; C212-L219 HydrophobicContact CB-CG 4.22Å; L219-Y224 HydrophobicContact CB-CD1 4.15Å; L219-Y224 HydrophobicContact CB-CG 4.47Å; L219-Y224 HydrophobicContact CD1-CG 4.41Å; L219-F233 HydrophobicContact CD1-CB 3.43Å; L219-F233 VanDerWaalsContact CD1-CB 3.43Å; L219-C235 HydrophobicContact CD2-CB 3.69Å
220H72.5Confident79.3Confident18 Ų1844.9 Ų44.98%0.08326%0.261CS..PPolyproline II helixtrans-77156.8179.6-48.6-101.8000110.4G222 S223 Y224 E646H220-G222 PolarHBondContact O-N 3.27Å; H220-S223 PolarHBondContact N-OG 3.19Å; H220-S223 PolarHBondContact O-N 3.15Å; H220-S223 PolarHBondContact O-OG 3.38Å; H220-Y224 WeakPolarHBondContact O-CD1 3.46Å; H220-E646 IonicContact CE1-OE1 3.78Å; H220-E646 IonicContact CG-OE1 2.86Å; H220-E646 IonicContact ND1-OE1 3.48Å; H220-E646 PolarHBondContact ND1-OE1 3.13Å
221T67.1Low78.4Confident31 Ų3146.2 Ų46.219%0.1928%0.275CS..THydrogen-bonded Turntrans-61.4100-171.2-55.10000112.5Q304T221-Q304 HydrophobicContact CG2-CG 3.97Å
222G63.5Low78Confident0 Ų046.9 Ų46.90%028%0.281CS..THydrogen-bonded Turntrans109.4-23.917900000114.7H220 Y224 F311H220-G222 PolarHBondContact O-N 3.27Å; G222-Y224 PolarHBondContact O-N 2.97Å; G222-F311 VanDerWaalsContact O-CB 3.27Å; G222-F311 WeakPolarHBondContact O-CB 3.47Å; G222-F311 VanDerWaalsContact O-CD2 3.24Å; G222-F311 WeakPolarHBondContact O-CD2 3.4Å
223S71.4Confident77.9Confident16 Ų1647.1 Ų47.111%0.11228%0.281CS..SBendtrans-79.424.7-174.5630000114.5H220 N236H220-S223 PolarHBondContact N-OG 3.19Å; H220-S223 PolarHBondContact O-N 3.15Å; H220-S223 PolarHBondContact O-OG 3.38Å; S223-N236 PolarHBondContact O-N 2.97Å
224Y81.6Confident77.8Confident1 Ų144.1 Ų44.10%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-136.5162-176.264.5-97.4000111.6V200 F210 L219 H220 G222 F233 V234 Q308V200-Y224 HydrophobicContact CG1-CE2 3.99Å; V200-Y224 WeakPolarHBondContact CG1-OH 3.39Å; F210-Y224 AromaticContact CE1-CD1 3.55Å; F210-Y224 HydrophobicContact CE1-CD1 3.55Å; F210-Y224 HydrophobicContact CE1-CD2 4.47Å; F210-Y224 AromaticContact CE1-CE1 3.5Å; F210-Y224 HydrophobicContact CE1-CE1 3.5Å; F210-Y224 HydrophobicContact CE1-CE2 4.47Å; F210-Y224 HydrophobicContact CE1-CG 4.05Å; F210-Y224 AromaticContact CZ-CD1 3.93Å; F210-Y224 HydrophobicContact CZ-CD1 3.93Å; F210-Y224 HydrophobicContact CZ-CD2 4.02Å; F210-Y224 AromaticContact CZ-CE1 3.8Å; F210-Y224 HydrophobicContact CZ-CE1 3.8Å; F210-Y224 AromaticContact CZ-CE2 3.94Å; F210-Y224 HydrophobicContact CZ-CE2 3.94Å; F210-Y224 HydrophobicContact CZ-CG 4.04Å; F210-Y224 AromaticContact CZ-CZ 3.83Å; L219-Y224 HydrophobicContact CB-CD1 4.15Å; L219-Y224 HydrophobicContact CB-CG 4.47Å; L219-Y224 HydrophobicContact CD1-CG 4.41Å; H220-Y224 WeakPolarHBondContact O-CD1 3.46Å; G222-Y224 PolarHBondContact O-N 2.97Å; Y224-F233 AromaticContact CD2-CD1 3.7Å; Y224-F233 HydrophobicContact CD2-CD1 3.7Å; Y224-F233 HydrophobicContact CD2-CE1 4.31Å; Y224-F233 HydrophobicContact CD2-CG 4.48Å; Y224-F233 AromaticContact CE2-CD1 4Å; Y224-F233 HydrophobicContact CE2-CD1 4Å; Y224-F233 HydrophobicContact CE2-CE1 4.15Å; Y224-V234 WeakPolarHBondContact CA-O 3.4Å; Y224-Q308 HydrophobicContact CE2-CG 4.47Å; Y224-Q308 PolarHBondContact OH-NE2 2.87Å
225K78.6Confident77.8Confident14 Ų1441.1 Ų41.16%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-137.7156.9170.1-60.6171.8-159.31750109.9G227 V234 N236 F311 Q312K225-G227 PolarHBondContact O-N 3.46Å; K225-V234 PolarHBondContact N-O 2.91Å; K225-V234 PolarHBondContact O-N 3.45Å; K225-N236 WeakPolarHBondContact CE-OD1 3.41Å; K225-F311 WeakPolarHBondContact CE-O 3.49Å; K225-F311 PolarHBondContact NZ-O 3.48Å; K225-F311 VanDerWaalsContact NZ-O 3.1Å; K225-Q312 HydrophobicContact CD-CG 3.78Å; K225-Q312 VanDerWaalsContact CE-CG 3.48Å; K225-Q312 HydrophobicContact CG-CG 3.89Å
226P81.8Confident77.3Confident78 Ų7840.6 Ų40.651%0.50625%0.245SC..EExtended strand (participates in β ladder)trans-55.3137.5173.2-26.435.9000111.7
227G75.8Confident76.8Confident24 Ų2438.5 Ų38.525%0.24723%0.229CC..  trans-80.4-165.6175.900000112.8K225 S229 M232K225-G227 PolarHBondContact O-N 3.46Å; G227-S229 PolarHBondContact O-N 3.47Å; G227-M232 PolarHBondContact N-O 3.38Å
228K75.1Confident76.6Confident186 Ų18639.8 Ų39.881%0.80923%0.233SC*.SBendtrans-68.53.3-179.1-61.3165.9-174.8159.60114.2
229S68.7Low76Confident52 Ų5241.9 Ų41.936%0.36424%0.241SC..SBendtrans-156145.9-170.7-1770000110.9G227 G231 M232G227-S229 PolarHBondContact O-N 3.47Å; S229-G231 PolarHBondContact O-N 3.33Å; S229-M232 WeakPolarHBondContact O-CB 3.33Å; S229-M232 PolarHBondContact O-N 2.63Å; S229-M232 VanDerWaalsContact O-N 3.1Å
230P69.6Low74.8Confident126 Ų12644 Ų4482%0.81825%0.253SS*.THydrogen-bonded Turntrans-58.6122.1-177.3-24.434.6000113.3M232P230-M232 VanDerWaalsContact C-N 3.32Å
231G70.3Confident74Confident30 Ų3046 Ų4631%0.30927%0.269SS..THydrogen-bonded Turntrans81.34.3-179.900000115.5S229 F233S229-G231 PolarHBondContact O-N 3.33Å; G231-F233 WeakPolarHBondContact O-CD2 3.42Å; G231-F233 WeakPolarHBondContact O-CE2 3.39Å
232M81.1Confident72.9Confident87 Ų8746.7 Ų46.743%0.42928%0.275SS..  trans-82.5143.1156.8-67.8-168.4-170.700109.4T213 G227 S229 P230T213-M232 HydrophobicContact CG2-CB 3.9Å; T213-M232 HydrophobicContact CG2-CG 4.06Å; G227-M232 PolarHBondContact N-O 3.38Å; S229-M232 WeakPolarHBondContact O-CB 3.33Å; S229-M232 PolarHBondContact O-N 2.63Å; S229-M232 VanDerWaalsContact O-N 3.1Å; P230-M232 VanDerWaalsContact C-N 3.32Å
233F85.3Confident71.8Confident6 Ų651.9 Ų51.93%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-134.7141.1179.4-62.2-84000111V200 E201 F210 C212 T213 L219 Y224 G231V200-F233 HydrophobicContact CG1-CE1 4Å; V200-F233 HydrophobicContact CG1-CZ 3.88Å; E201-F233 HydrophobicContact CG-CE1 4.4Å; E201-F233 HydrophobicContact CG-CZ 4.37Å; E201-F233 WeakPolarHBondContact OE1-CE1 3.01Å; E201-F233 WeakPolarHBondContact OE2-CZ 3Å; F210-F233 HydrophobicContact CD2-CD2 4.35Å; F210-F233 HydrophobicContact CE2-CB 4.37Å; F210-F233 HydrophobicContact CE2-CD1 4.26Å; F210-F233 AromaticContact CE2-CD2 3.44Å; F210-F233 HydrophobicContact CE2-CD2 3.44Å; F210-F233 VanDerWaalsContact CE2-CD2 3.44Å; F210-F233 HydrophobicContact CE2-CE1 4.43Å; F210-F233 AromaticContact CE2-CE2 3.66Å; F210-F233 HydrophobicContact CE2-CE2 3.66Å; F210-F233 AromaticContact CE2-CG 3.76Å; F210-F233 HydrophobicContact CE2-CG 3.76Å; F210-F233 HydrophobicContact CE2-CZ 4.15Å; F210-F233 HydrophobicContact CZ-CB 4.21Å; F210-F233 HydrophobicContact CZ-CD1 4.07Å; F210-F233 HydrophobicContact CZ-CD2 4.01Å; F210-F233 HydrophobicContact CZ-CE1 4.45Å; F210-F233 HydrophobicContact CZ-CE2 4.4Å; F210-F233 AromaticContact CZ-CG 3.82Å; F210-F233 HydrophobicContact CZ-CG 3.82Å; C212-F233 WeakPolarHBondContact CA-O 3.25Å; T213-F233 PolarHBondContact N-O 2.93Å; T213-F233 PolarHBondContact OG1-O 2.7Å; L219-F233 HydrophobicContact CD1-CB 3.43Å; L219-F233 VanDerWaalsContact CD1-CB 3.43Å; Y224-F233 AromaticContact CD2-CD1 3.7Å; Y224-F233 HydrophobicContact CD2-CD1 3.7Å; Y224-F233 HydrophobicContact CD2-CE1 4.31Å; Y224-F233 HydrophobicContact CD2-CG 4.48Å; Y224-F233 AromaticContact CE2-CD1 4Å; Y224-F233 HydrophobicContact CE2-CD1 4Å; Y224-F233 HydrophobicContact CE2-CE1 4.15Å; G231-F233 WeakPolarHBondContact O-CD2 3.42Å; G231-F233 WeakPolarHBondContact O-CE2 3.39Å
234V86.6Confident70.1Confident12 Ų1256.4 Ų56.47%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-129.2135.9-172.2-174.40000109.1Y224 K225 H238Y224-V234 WeakPolarHBondContact CA-O 3.4Å; K225-V234 PolarHBondContact N-O 2.91Å; K225-V234 PolarHBondContact O-N 3.45Å; V234-H238 HydrophobicContact CG1-CB 3.41Å; V234-H238 VanDerWaalsContact CG1-CB 3.41Å
235C85.3Confident67.5Low20 Ų2061.2 Ų61.214%0.13536%0.357CS..EExtended strand (participates in β ladder)trans-72.5156.9175.669.20000111.8C212 L219 T237 H238 Q239C212-C235 PolarHBondContact SG-N 2.74Å; C212-C235 VanDerWaalsContact SG-N 3.38Å; L219-C235 HydrophobicContact CD2-CB 3.69Å; C235-T237 VanDerWaalsContact C-N 3.26Å; C235-T237 PolarHBondContact O-N 2.92Å; C235-T237 VanDerWaalsContact O-N 3.14Å; C235-H238 PolarHBondContact O-N 3.09Å; C235-H238 VanDerWaalsContact O-N 3.1Å; C235-H238 PolarHBondContact SG-ND1 3.39Å; C235-Q239 PolarHBondContact O-N 2.87Å
236N74.5Confident65.2Low36 Ų3668.1 Ų68.119%0.19339%0.394CS..Hα-helixtrans-54.1-37.4-174.1-67.4-31000114.3S223 K225 Q239 N240S223-N236 PolarHBondContact O-N 2.97Å; K225-N236 WeakPolarHBondContact CE-OD1 3.41Å; N236-Q239 PolarHBondContact O-N 3.41Å; N236-N240 PolarHBondContact O-N 3.39Å
237T75.5Confident62.9Low33 Ų3371.9 Ų71.920%0.20241%0.409CS..Hα-helixtrans-59.8-48.2177.5-48.60000112.2C235 Q239 N240 S241 T368C235-T237 VanDerWaalsContact C-N 3.26Å; C235-T237 PolarHBondContact O-N 2.92Å; C235-T237 VanDerWaalsContact O-N 3.14Å; T237-Q239 VanDerWaalsContact C-N 3.34Å; T237-Q239 PolarHBondContact O-N 3.37Å; T237-N240 PolarHBondContact O-N 3.23Å; T237-S241 PolarHBondContact O-N 3.14Å; T237-S241 PolarHBondContact O-OG 3.28Å; T237-T368 HydrophobicContact CG2-CG2 3.86Å; T237-T368 VanDerWaalsContact CG2-OG1 3.23Å; T237-T368 WeakPolarHBondContact CG2-OG1 3.25Å; T237-T368 VanDerWaalsContact OG1-CG2 3.24Å; T237-T368 WeakPolarHBondContact OG1-CG2 3.41Å; T237-T368 PolarHBondContact OG1-OG1 2.97Å
238H77.6Confident60.7Low49 Ų4978.5 Ų78.523%0.22744%0.439CS..Hα-helixtrans-70.9-28.9-178.8-77.599.5000112.7E214 V234 C235 S241 S242E214-H238 HydrophobicContact CB-CB 4.13Å; E214-H238 HydrophobicContact CG-CB 4.49Å; E214-H238 WeakPolarHBondContact OE2-CB 3.26Å; E214-H238 IonicContact OE2-CD2 3.76Å; E214-H238 PolarHBondContact OE2-CD2 2.93Å; E214-H238 VanDerWaalsContact OE2-CD2 3.25Å; E214-H238 IonicContact OE2-CG 3.35Å; V234-H238 HydrophobicContact CG1-CB 3.41Å; V234-H238 VanDerWaalsContact CG1-CB 3.41Å; C235-H238 PolarHBondContact O-N 3.09Å; C235-H238 VanDerWaalsContact O-N 3.1Å; C235-H238 PolarHBondContact SG-ND1 3.39Å; H238-S241 PolarHBondContact O-N 3.5Å; H238-S242 PolarHBondContact O-N 2.59Å; H238-S242 VanDerWaalsContact O-N 3.11Å; H238-S242 PolarHBondContact O-OG 3.15Å
239Q70.5Confident58.5Low57 Ų5776 Ų7627%0.26644%0.439SS..Hα-helixtrans-61.9-43.8170.3-160.8-157.927.200111.7C235 N236 T237 S242 K243C235-Q239 PolarHBondContact O-N 2.87Å; N236-Q239 PolarHBondContact O-N 3.41Å; T237-Q239 VanDerWaalsContact C-N 3.34Å; T237-Q239 PolarHBondContact O-N 3.37Å; Q239-S242 PolarHBondContact O-N 2.97Å; Q239-K243 PolarHBondContact O-N 3.05Å
240N58.2Low56.5Low48 Ų4880.3 Ų80.326%0.25746%0.464SS..Hα-helixtrans-66.7-40.4-179.2-74.9-11.2000111.6N236 T237 S242 K243 L366N236-N240 PolarHBondContact O-N 3.39Å; T237-N240 PolarHBondContact O-N 3.23Å; N240-S242 VanDerWaalsContact C-N 3.3Å; N240-S242 PolarHBondContact O-N 3.28Å; N240-K243 PolarHBondContact O-N 3.27Å; N240-L366 HydrophobicContact CB-CD2 4.33Å
241S55.3Low54.5Low61 Ų6178.2 Ų78.243%0.42747%0.465SS..Hα-helixtrans-56.3-41.7171.4-55.70000112.8T237 H238 K243 T244T237-S241 PolarHBondContact O-N 3.14Å; T237-S241 PolarHBondContact O-OG 3.28Å; H238-S241 PolarHBondContact O-N 3.5Å; S241-K243 VanDerWaalsContact C-N 3.34Å; S241-K243 PolarHBondContact O-N 3.15Å; S241-T244 PolarHBondContact O-N 2.93Å; S241-T244 PolarHBondContact O-OG1 3.32Å
242S44.1Very low52.4Low44 Ų4482.2 Ų82.231%0.30849%0.488SS..Hα-helixtrans-65.9-30.3-179.1-75.90000113.8H238 Q239 N240 T244H238-S242 PolarHBondContact O-N 2.59Å; H238-S242 VanDerWaalsContact O-N 3.11Å; H238-S242 PolarHBondContact O-OG 3.15Å; Q239-S242 PolarHBondContact O-N 2.97Å; N240-S242 VanDerWaalsContact C-N 3.3Å; N240-S242 PolarHBondContact O-N 3.28Å; S242-T244 VanDerWaalsContact C-N 3.28Å; S242-T244 PolarHBondContact O-N 2.83Å
243K41.5Very low49.8Very low109 Ų10982.4 Ų82.447%0.47450%0.497SS..Hα-helixtrans-68.6-24.7177.1-75.2-173.3174-175.70113Q239 N240 S241Q239-K243 PolarHBondContact O-N 3.05Å; N240-K243 PolarHBondContact O-N 3.27Å; S241-K243 VanDerWaalsContact C-N 3.34Å; S241-K243 PolarHBondContact O-N 3.15Å
244T34.6Very low47Very low111 Ų11191.8 Ų91.868%0.68153%0.534SS*.THydrogen-bonded Turntrans-84.3-5.9-17629.10000116.1S241 S242S241-T244 PolarHBondContact O-N 2.93Å; S241-T244 PolarHBondContact O-OG1 3.32Å; S242-T244 VanDerWaalsContact C-N 3.28Å; S242-T244 PolarHBondContact O-N 2.83Å
245C28.3Very low44.3Very low102 Ų10297.1 Ų97.169%0.68957%0.571SS**THydrogen-bonded Turntrans-104.67.6-173-70.80000116
246L30.7Very low41.4Very low159 Ų159100.3 Ų100.383%0.83260%0.599SS**SBendtrans-98.610179.4-71.5176.4000114.6
247L32.2Very low39.3Very low157 Ų157105 Ų10582%0.82263%0.629SS**SBendtrans-135.376.1175.4-86.2159.6000109.9
248N30.2Very low37.4Very low163 Ų163108.5 Ų108.587%0.87265%0.652SS**  trans175.891.9152.5-92.5-19000110.7
249T28Very low35.4Very low134 Ų134112.7 Ų112.782%0.82268%0.684SS**  trans-151.470.1173.7-46.70000112.4
250T28Very low33.4Very low143 Ų143117.1 Ų117.188%0.87771%0.709SS**  trans-148.7100.8168.447.40000111.6
251G27.4Very low31.8Very low81 Ų81120.8 Ų120.884%0.83574%0.737SS**  trans75.5151.117300000115.7
252S25.8Very low30.5Very low114 Ų114122 Ų12280%0.79775%0.751SS**  cis-154.7171.4-14.7-1620000110.2
253C25.5Very low29.7Very low92 Ų92124.4 Ų124.462%0.62277%0.773SS**  trans-67.8170.9177.7-54.40000111.8
254Y28Very low29.2Very low203 Ų203129.3 Ų129.380%0.79680%0.795SS**  cis-157.6156.132.6-60.8-97.7000113.6
255S28.2Very low28.9Very low123 Ų123130.2 Ų130.286%0.8680%0.8SS**  trans67147.5154.4-64.50000119.4
256A25.8Very low29Very low88 Ų88132.4 Ų132.473%0.72780%0.804SS**  cis-144.3145.24.600000114.6
257V31Very low28.8Very low133 Ų133132 Ų13281%0.80680%0.803SS**  trans25.2121.9144.8-1730000120.9
258P34.7Very low28.5Very low107 Ų107130.6 Ų130.670%0.69580%0.8SS**  trans-88159.7157.736.6-33.4000112.9
259P35.7Very low29.6Very low137 Ų137128 Ų12889%0.8979%0.792SS**  trans-64.5154.3175.7-20.733.7000113.8
260N28.1Very low30.2Very low150 Ų150127.8 Ų127.880%0.80279%0.793SS**  trans-128.3141.1-170.9-17410.7000111.3
261C24.2Very low30.2Very low125 Ų125126.2 Ų126.285%0.84579%0.788SS**  trans162.5144.5153.6-94.70000110.4
262A27.9Very low30.3Very low87 Ų87129.4 Ų129.472%0.71979%0.791SS**  cis-161.1138.4-20.600000109.2
263A28.2Very low30.3Very low94 Ų94129 Ų12978%0.77779%0.788SS**  trans-85.3157.9163.700000110.5
264K30.1Very low30.4Very low213 Ų213129.7 Ų129.793%0.92679%0.794SS**  trans-114.6146.4164.1-82-174174.1179.70110.4
265T28.5Very low30.4Very low130 Ų130126.5 Ų126.580%0.79880%0.796SS**  trans-105.1-176.6-156.2-40.70000112.3
266L29.9Very low30.9Very low148 Ų148126.1 Ų126.178%0.77579%0.79SS**  trans109129.6161.6-58170.1000112.8
267L26.7Very low31Very low151 Ų151128.1 Ų128.179%0.79180%0.799SS**  cis-145.3-175.78.8-110.9156.7000113.1
268T27.4Very low30.9Very low126 Ų126126.3 Ų126.377%0.77380%0.798SS**  trans-112.9-178.7-157.613.70000114.9
269P51.6Low30.8Very low108 Ų108126.7 Ų126.770%0.70180%0.8SS**  trans-99.9-162-155.141.9-38.6000115.2
270P41.6Very low30.4Very low130 Ų130128 Ų12884%0.84480%0.798SS**  -140.9177.3104.240.2-27.8000115.8
271S28.6Very low30.4Very low111 Ų111128.5 Ų128.578%0.77680%0.801SS**  trans-127.7162.3-179.257.20000112.2
272V28.2Very low30.5Very low147 Ų147126.9 Ų126.989%0.89180%0.797SS**  trans-144.9129.6168.9-79.10000114.7
273S26.3Very low30.4Very low106 Ų106130.7 Ų130.774%0.74180%0.804SS**  trans47.4100.9148.2-163.30000123.4
274S27.7Very low30.4Very low107 Ų107131.9 Ų131.975%0.74880%0.804SS**  36.7127.5111.6-45.20000122.8
275V28.9Very low30.2Very low136 Ų136131.3 Ų131.382%0.82480%0.801SS**  170.7141.2111.91530000110.7
276P37.5Very low30.1Very low114 Ų114130.5 Ų130.574%0.7480%0.801SS**  trans-102.1163.2-175.939.1-35.8000115.3
277S28.7Very low29.9Very low130 Ų130131.2 Ų131.291%0.90981%0.805SS**  trans-158158159.9-820000111.1
278A27.8Very low29.9Very low96 Ų96128.9 Ų128.979%0.79380%0.801SS**  trans-116-160.1-16500000113
279P32.7Very low29.9Very low115 Ų115128.9 Ų128.975%0.74780%0.803SS**  -102162.6-128.140.2-30.9000115.3
280I27.6Very low28.6Very low163 Ų163127.7 Ų127.784%0.83680%0.802SS**  trans-118.2122.1166-64.8175.2000108.9
281N28Very low27.9Very low162 Ų162127.6 Ų127.687%0.86680%0.802SS**  trans-75.8129.2172.8-75-36.5000110.6
282A25.8Very low27.8Very low91 Ų91129.4 Ų129.475%0.75280%0.803SS**  trans-132.4119.7165.800000109.6
283L26.1Very low27.9Very low166 Ų166127.4 Ų127.487%0.86980%0.795SS**PPolyproline II helixtrans-70.1126.4-176.8177.968.5000111.2K285L283-K285 PolarHBondContact O-N 2.9Å
284P28.8Very low28.4Very low120 Ų120129.6 Ų129.678%0.77979%0.794SS**PPolyproline II helixtrans-67.2120.8172.8-18.431.8000110.7
285K24.9Very low28.7Very low200 Ų200126 Ų12687%0.8777%0.769SS**PPolyproline II helixtrans-88121.1172.5-156.2168.7-171.31750108.9L283 L287L283-K285 PolarHBondContact O-N 2.9Å; K285-L287 PolarHBondContact O-N 2.91Å
286S26.4Very low29.5Very low113 Ų113122 Ų12279%0.7974%0.739SS**PPolyproline II helixtrans-58.6130-174.4-175.10000112.5
287L26.6Very low29.9Very low164 Ų164116.9 Ų116.986%0.85971%0.706SS**  trans-129.4135.7157.6-74.4175.6000107.8K285K285-L287 PolarHBondContact O-N 2.91Å
288S27.7Very low30.4Very low102 Ų102112.8 Ų112.871%0.71368%0.68SS**PPolyproline II helixtrans-63.9146.6-177.748.10000112.2A290S288-A290 PolarHBondContact O-N 3.16Å
289P26.1Very low30.9Very low126 Ų126108.9 Ų108.982%0.81865%0.646SS**PPolyproline II helixtrans-60.7128.2171.827-33.9000110
290A24.4Very low31.5Very low82 Ų82104.4 Ų104.468%0.67862%0.619SS**PPolyproline II helixtrans-64.2146.7169.400000109.8S288 N292S288-A290 PolarHBondContact O-N 3.16Å; A290-N292 PolarHBondContact O-N 2.87Å
291P27.7Very low32.7Very low129 Ų129100 Ų10084%0.83860%0.595SS**PPolyproline II helixtrans-62.5136.8178.426.4-34.1000110.7S293P291-S293 PolarHBondContact O-N 3.48Å
292N26.1Very low33.9Very low149 Ų14997.1 Ų97.180%0.79758%0.575SS**PPolyproline II helixtrans-58134.3179.8-63.9-34000110.7A290 Q294A290-N292 PolarHBondContact O-N 2.87Å; N292-Q294 PolarHBondContact O-N 3.23Å
293S30.2Very low35.3Very low105 Ų10593.9 Ų93.973%0.73455%0.546SS*.  trans-65.793.7173.853.20000110.6P291 S295P291-S293 PolarHBondContact O-N 3.48Å; S293-S295 PolarHBondContact O-N 2.74Å; S293-S295 VanDerWaalsContact O-N 3.15Å
294Q37.2Very low36.9Very low151 Ų15188 Ų8871%0.70651%0.514SS*.  trans-82.687.7176.4-73.7-164.5-76.700111.1N292N292-Q294 PolarHBondContact O-N 3.23Å
295S33.7Very low38.5Very low32 Ų3283.5 Ų83.522%0.22449%0.486CS..  trans-11573.9173.615.70000111.3E82 S293E82-S295 VanDerWaalsContact CD-OG 3.22Å; E82-S295 WeakPolarHBondContact OE1-CB 2.96Å; E82-S295 PolarHBondContact OE1-OG 2.91Å; E82-S295 WeakPolarHBondContact OE2-CB 3.5Å; E82-S295 PolarHBondContact OE2-OG 3.31Å; S293-S295 PolarHBondContact O-N 2.74Å; S293-S295 VanDerWaalsContact O-N 3.15Å
296W45.6Very low40.2Very low51 Ų5175 Ų7519%0.19345%0.453CS..SBendtrans-159.9168.2133.9-163.9-126.9000111A77 L79 D80 Q301A77-W296 HydrophobicContact CB-CH2 3.27Å; A77-W296 HydrophobicContact CB-CZ2 3.51Å; A77-W296 HydrophobicContact CB-CZ3 4.13Å; A77-W296 VanDerWaalsContact O-CZ2 3.29Å; A77-W296 WeakPolarHBondContact O-CZ2 3.03Å; L79-W296 VanDerWaalsContact O-CZ3 3.26Å; L79-W296 WeakPolarHBondContact O-CZ3 3.25Å; D80-W296 WeakPolarHBondContact OD1-CZ3 3.33Å; W296-Q301 PolarHBondContact O-NE2 3.08Å
297T45.8Very low41.9Very low8 Ų870.8 Ų70.85%0.04942%0.42CS..  trans-68.6141.7-168.657.40000113.6F66 E70 A77 S299 A300 Q301F66-T297 HydrophobicContact CB-CG2 4.37Å; E70-T297 VanDerWaalsContact OE2-CB 3.3Å; E70-T297 WeakPolarHBondContact OE2-CB 3.45Å; E70-T297 PolarHBondContact OE2-OG1 2.85Å; A77-T297 HydrophobicContact CB-CG2 3.65Å; T297-S299 VanDerWaalsContact C-N 3.26Å; T297-S299 PolarHBondContact O-N 3.27Å; T297-A300 PolarHBondContact O-N 2.71Å; T297-A300 WeakPolarHBondContact OG1-CB 3.29Å; T297-Q301 VanDerWaalsContact O-CB 3.28Å; T297-Q301 WeakPolarHBondContact O-CB 3.47Å; T297-Q301 VanDerWaalsContact O-CG 3.3Å; T297-Q301 WeakPolarHBondContact O-CG 3.26Å; T297-Q301 PolarHBondContact O-N 3.28Å
298A38.3Very low43.8Very low44 Ų4464.7 Ų64.736%0.36439%0.387SS..Hα-helixtrans-66.7-21.7-17900000113.7E71 K302E71-A298 HydrophobicContact CG-CB 4.45Å; E71-A298 WeakPolarHBondContact OE1-CB 3.16Å; A298-K302 WeakPolarHBondContact O-CA 3.45Å; A298-K302 WeakPolarHBondContact O-CB 3.29Å; A298-K302 PolarHBondContact O-N 3.04Å
299S39.6Very low45.7Very low13 Ų1368 Ų689%0.09138%0.384CS..Hα-helixtrans-77-50.7173.8150.50000111.8E70 T297 Q301 K302 T303 R715E70-S299 WeakPolarHBondContact CG-OG 3.43Å; E70-S299 WeakPolarHBondContact OE1-CB 3.36Å; E70-S299 PolarHBondContact OE1-OG 2.86Å; T297-S299 VanDerWaalsContact C-N 3.26Å; T297-S299 PolarHBondContact O-N 3.27Å; S299-Q301 VanDerWaalsContact C-N 3.28Å; S299-Q301 PolarHBondContact O-N 2.96Å; S299-K302 CarbonylContact O-C 3.55Å; S299-K302 WeakPolarHBondContact O-CA 3.32Å; S299-K302 WeakPolarHBondContact O-CB 3.28Å; S299-K302 PolarHBondContact O-N 3.38Å; S299-T303 PolarHBondContact O-N 3.04Å; S299-R715 PolarHBondContact OG-NH1 2.86Å; S299-R715 VanDerWaalsContact OG-NH1 3.16Å
300A45.7Very low47.5Very low22 Ų2262.3 Ų62.318%0.18235%0.347CS..Hα-helixtrans-62.3-40.1176.500000110.5E70 T297 T303 Q304E70-A300 WeakPolarHBondContact OE1-CA 3.26Å; E70-A300 PolarHBondContact OE1-N 3.5Å; T297-A300 PolarHBondContact O-N 2.71Å; T297-A300 WeakPolarHBondContact OG1-CB 3.29Å; A300-T303 PolarHBondContact O-N 3.07Å; A300-Q304 WeakPolarHBondContact O-CB 3.37Å; A300-Q304 WeakPolarHBondContact O-CG 3.42Å; A300-Q304 PolarHBondContact O-N 3.1Å
301Q51.6Low49.4Very low69 Ų6959.5 Ų59.532%0.32232%0.319SS..Hα-helixtrans-65.1-36.4169.1-68.6-176.68.600112.6W296 T297 S299 A305W296-Q301 PolarHBondContact O-NE2 3.08Å; T297-Q301 VanDerWaalsContact O-CB 3.28Å; T297-Q301 WeakPolarHBondContact O-CB 3.47Å; T297-Q301 VanDerWaalsContact O-CG 3.3Å; T297-Q301 WeakPolarHBondContact O-CG 3.26Å; T297-Q301 PolarHBondContact O-N 3.28Å; S299-Q301 VanDerWaalsContact C-N 3.28Å; S299-Q301 PolarHBondContact O-N 2.96Å; Q301-A305 WeakPolarHBondContact O-CA 3.04Å; Q301-A305 WeakPolarHBondContact O-CB 3.29Å; Q301-A305 PolarHBondContact O-N 3.33Å
302K54.7Low50.9Low103 Ų10356.9 Ų56.945%0.44830%0.296SS..Hα-helixtrans-66.9-42.2174176.7179.1177.7-97.30111.8A298 S299 A305 A306 E711A298-K302 WeakPolarHBondContact O-CA 3.45Å; A298-K302 WeakPolarHBondContact O-CB 3.29Å; A298-K302 PolarHBondContact O-N 3.04Å; S299-K302 CarbonylContact O-C 3.55Å; S299-K302 WeakPolarHBondContact O-CA 3.32Å; S299-K302 WeakPolarHBondContact O-CB 3.28Å; S299-K302 PolarHBondContact O-N 3.38Å; K302-A305 PolarHBondContact O-N 2.75Å; K302-A306 WeakPolarHBondContact O-CA 3.4Å; K302-A306 WeakPolarHBondContact O-CB 3.27Å; K302-A306 PolarHBondContact O-N 3.38Å; K302-E711 IonicContact NZ-OE1 2.73Å; K302-E711 PolarHBondContact NZ-OE1 3.15Å; K302-E711 IonicContact NZ-OE2 2.73Å; K302-E711 PolarHBondContact NZ-OE2 3.25Å
303T55Low51.9Low22 Ų2254 Ų5414%0.13528%0.283CS..Hα-helixtrans-69.5-43.9177-64.80000111S299 A300 A306 R307 R715S299-T303 PolarHBondContact O-N 3.04Å; A300-T303 PolarHBondContact O-N 3.07Å; T303-A306 PolarHBondContact O-N 2.95Å; T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 VanDerWaalsContact O-CG 3.29Å; T303-R307 WeakPolarHBondContact O-CG 3.27Å; T303-R307 PolarHBondContact O-N 3.3Å; T303-R715 PolarHBondContact OG1-NH2 3.33Å
304Q59.8Low52.4Low44 Ų4451.9 Ų51.921%0.20627%0.266CS..Hα-helixtrans-62.5-42.5172.3-73-167.4-2.900111.7F199 T221 A300 Q308F199-Q304 PolarHBondContact O-NE2 3.48Å; T221-Q304 HydrophobicContact CG2-CG 3.97Å; A300-Q304 WeakPolarHBondContact O-CB 3.37Å; A300-Q304 WeakPolarHBondContact O-CG 3.42Å; A300-Q304 PolarHBondContact O-N 3.1Å; Q304-Q308 VanDerWaalsContact O-CB 3.22Å; Q304-Q308 WeakPolarHBondContact O-CB 3.39Å; Q304-Q308 WeakPolarHBondContact O-CG 3.49Å; Q304-Q308 PolarHBondContact O-N 3.49Å
305A61.5Low52.3Low24 Ų2448.2 Ų48.220%0.19826%0.255CS..Hα-helixtrans-71.7-31.2177.700000112.9Q301 K302 R309Q301-A305 WeakPolarHBondContact O-CA 3.04Å; Q301-A305 WeakPolarHBondContact O-CB 3.29Å; Q301-A305 PolarHBondContact O-N 3.33Å; K302-A305 PolarHBondContact O-N 2.75Å; A305-R309 WeakPolarHBondContact O-CB 3.06Å; A305-R309 VanDerWaalsContact O-CD 3.31Å; A305-R309 WeakPolarHBondContact O-CD 3.33Å; A305-R309 WeakPolarHBondContact O-CG 3.35Å; A305-R309 PolarHBondContact O-N 2.89Å
306A59.9Low52Low21 Ų2154.9 Ų54.917%0.17428%0.283CS..Hα-helixtrans-67.6-50173.700000109.8K302 T303 Q308 R309 F310 V708K302-A306 WeakPolarHBondContact O-CA 3.4Å; K302-A306 WeakPolarHBondContact O-CB 3.27Å; K302-A306 PolarHBondContact O-N 3.38Å; T303-A306 PolarHBondContact O-N 2.95Å; A306-Q308 PolarHBondContact O-N 2.94Å; A306-R309 PolarHBondContact O-N 2.91Å; A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.04Å; A306-F310 PolarHBondContact O-N 2.88Å; A306-V708 HydrophobicContact CB-CG2 4.44Å
307R63.6Low51.3Low26 Ų2659.1 Ų59.110%0.09831%0.314CS..Hα-helixtrans-58.3-49.4173.3-67.8175-175.7-155.80.7111T303 R309 F310 F311 S647 Y651 D712T303-R307 WeakPolarHBondContact O-CB 3.39Å; T303-R307 VanDerWaalsContact O-CG 3.29Å; T303-R307 WeakPolarHBondContact O-CG 3.27Å; T303-R307 PolarHBondContact O-N 3.3Å; R307-R309 PolarHBondContact O-N 2.8Å; R307-F310 WeakPolarHBondContact O-CB 3.48Å; R307-F310 PolarHBondContact O-N 3.35Å; R307-F311 WeakPolarHBondContact O-CD2 3.43Å; R307-F311 PolarHBondContact O-N 2.88Å; R307-S647 PolarHBondContact NH1-OG 2.95Å; R307-Y651 WeakPolarHBondContact CG-OH 3.29Å; R307-Y651 PolarHBondContact NE-OH 3.29Å; R307-Y651 VanDerWaalsContact NE-OH 3.09Å; R307-D712 IonicContact CZ-OD2 2.71Å; R307-D712 IonicContact NE-OD2 3.33Å; R307-D712 IonicContact NH2-OD1 3.12Å; R307-D712 PolarHBondContact NH2-OD1 3.35Å; R307-D712 IonicContact NH2-OD2 3.88Å; R307-D712 PolarHBondContact NH2-OD2 2.63Å
308Q66.6Low50.4Low36 Ų3663.4 Ų63.417%0.16835%0.351CS..Hα-helixtrans-57.2-48174.2-79.3178.78.400112.5Y224 Q304 A306 F310 F311 Q312Y224-Q308 HydrophobicContact CE2-CG 4.47Å; Y224-Q308 PolarHBondContact OH-NE2 2.87Å; Q304-Q308 VanDerWaalsContact O-CB 3.22Å; Q304-Q308 WeakPolarHBondContact O-CB 3.39Å; Q304-Q308 WeakPolarHBondContact O-CG 3.49Å; Q304-Q308 PolarHBondContact O-N 3.49Å; A306-Q308 PolarHBondContact O-N 2.94Å; Q308-F310 PolarHBondContact O-N 3.18Å; Q308-F311 CarbonylContact O-C 3.5Å; Q308-F311 PolarHBondContact O-N 3.27Å; Q308-Q312 WeakPolarHBondContact O-CB 3.26Å; Q308-Q312 WeakPolarHBondContact O-CG 3.47Å; Q308-Q312 PolarHBondContact O-N 3.05Å
309R66.8Low50Low170 Ų17064.8 Ų64.864%0.64237%0.369SS*.Hα-helixtrans-59.1-45.6177.6-78.3164.7-172176.52.8111.4A305 A306 R307 F311 Q312 T313A305-R309 WeakPolarHBondContact O-CB 3.06Å; A305-R309 VanDerWaalsContact O-CD 3.31Å; A305-R309 WeakPolarHBondContact O-CD 3.33Å; A305-R309 WeakPolarHBondContact O-CG 3.35Å; A305-R309 PolarHBondContact O-N 2.89Å; A306-R309 PolarHBondContact O-N 2.91Å; R307-R309 PolarHBondContact O-N 2.8Å; R309-F311 VanDerWaalsContact C-N 3.33Å; R309-F311 PolarHBondContact O-N 2.86Å; R309-Q312 WeakPolarHBondContact O-CA 3.42Å; R309-Q312 WeakPolarHBondContact O-CB 3.33Å; R309-Q312 PolarHBondContact O-N 2.76Å; R309-T313 PolarHBondContact O-N 3.38Å; R309-T313 VanDerWaalsContact O-N 3.15Å
310F64.3Low49.6Very low8 Ų869.8 Ų69.84%0.03540%0.404CS..Hα-helixtrans-58.3-40.3176.5162.4-114.6000112.8A306 R307 Q308 Q312 T313 Y651 R654 I705A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.04Å; A306-F310 PolarHBondContact O-N 2.88Å; R307-F310 WeakPolarHBondContact O-CB 3.48Å; R307-F310 PolarHBondContact O-N 3.35Å; Q308-F310 PolarHBondContact O-N 3.18Å; F310-Q312 VanDerWaalsContact C-N 3.32Å; F310-T313 PolarHBondContact O-OG1 2.79Å; F310-Y651 HydrophobicContact CD1-CD1 4.28Å; F310-Y651 HydrophobicContact CD1-CE1 4.11Å; F310-Y651 AromaticContact CE1-CD1 3.64Å; F310-Y651 HydrophobicContact CE1-CD1 3.64Å; F310-Y651 AromaticContact CE1-CE1 3.93Å; F310-Y651 HydrophobicContact CE1-CE1 3.93Å; F310-Y651 HydrophobicContact CZ-CD1 4.19Å; F310-R654 HydrophobicContact CE1-CG 4.22Å; F310-R654 HydrophobicContact CE2-CG 3.89Å; F310-R654 HydrophobicContact CZ-CB 3.93Å; F310-R654 HydrophobicContact CZ-CG 3.35Å; F310-I705 HydrophobicContact CD2-CG1 4.13Å; F310-I705 HydrophobicContact CE1-CG1 4.48Å; F310-I705 HydrophobicContact CE2-CD1 3.68Å; F310-I705 HydrophobicContact CE2-CG1 3.18Å; F310-I705 HydrophobicContact CZ-CD1 3.71Å; F310-I705 HydrophobicContact CZ-CG1 3.38Å
311F63.1Low48.7Very low22 Ų2274.1 Ų74.110%0.09643%0.433CS..Hα-helixtrans-83.5-4.4172.1-65.8-64.8000113.8G222 K225 R307 Q308 R309 V650G222-F311 VanDerWaalsContact O-CB 3.27Å; G222-F311 WeakPolarHBondContact O-CB 3.47Å; G222-F311 VanDerWaalsContact O-CD2 3.24Å; G222-F311 WeakPolarHBondContact O-CD2 3.4Å; K225-F311 WeakPolarHBondContact CE-O 3.49Å; K225-F311 PolarHBondContact NZ-O 3.48Å; K225-F311 VanDerWaalsContact NZ-O 3.1Å; R307-F311 WeakPolarHBondContact O-CD2 3.43Å; R307-F311 PolarHBondContact O-N 2.88Å; Q308-F311 CarbonylContact O-C 3.5Å; Q308-F311 PolarHBondContact O-N 3.27Å; R309-F311 VanDerWaalsContact C-N 3.33Å; R309-F311 PolarHBondContact O-N 2.86Å; F311-V650 HydrophobicContact CE1-CG1 3.76Å; F311-V650 HydrophobicContact CZ-CG1 3.48Å; F311-V650 VanDerWaalsContact CZ-CG1 3.48Å
312Q60.1Low47.8Very low75 Ų7576.6 Ų76.635%0.3546%0.455SS..Hα-helixtrans-96.3-16.6179.3-80168.125.200114.3K225 Q308 R309 F310 V314K225-Q312 HydrophobicContact CD-CG 3.78Å; K225-Q312 VanDerWaalsContact CE-CG 3.48Å; K225-Q312 HydrophobicContact CG-CG 3.89Å; Q308-Q312 WeakPolarHBondContact O-CB 3.26Å; Q308-Q312 WeakPolarHBondContact O-CG 3.47Å; Q308-Q312 PolarHBondContact O-N 3.05Å; R309-Q312 WeakPolarHBondContact O-CA 3.42Å; R309-Q312 WeakPolarHBondContact O-CB 3.33Å; R309-Q312 PolarHBondContact O-N 2.76Å; F310-Q312 VanDerWaalsContact C-N 3.32Å; Q312-V314 VanDerWaalsContact C-N 3.34Å; Q312-V314 PolarHBondContact O-N 3.05Å
313T46.6Very low46.4Very low87 Ų8775.5 Ų75.553%0.53447%0.473SS..  trans-6783.8178.643.90000113R309 F310R309-T313 PolarHBondContact O-N 3.38Å; R309-T313 VanDerWaalsContact O-N 3.15Å; F310-T313 PolarHBondContact O-OG1 2.79Å
314V41Very low45.2Very low61 Ų6182.6 Ų82.637%0.3751%0.51SS..SBendtrans-142.2129.4164.6178.60000106.6Q312Q312-V314 VanDerWaalsContact C-N 3.34Å; Q312-V314 PolarHBondContact O-N 3.05Å
315P35.6Very low43.7Very low75 Ų7583.8 Ų83.849%0.48754%0.535SS..PPolyproline II helixtrans-57.8144.3-157.914.4-30000116.2
316Q26.6Very low42.2Very low172 Ų17292.4 Ų92.480%0.80457%0.567SS**PPolyproline II helixtrans-94.8122.3161.4-71-73.820.800108.5A318Q316-A318 PolarHBondContact O-N 3.43Å
317V30.7Very low41.1Very low139 Ų13996.6 Ų96.684%0.84259%0.593SS**PPolyproline II helixtrans-78.9117.5168.7178.70000107.5G319V317-G319 PolarHBondContact O-N 3.39Å
318A27.7Very low39.3Very low99 Ų99102.1 Ų102.182%0.81862%0.623SS**  trans-67102.2178.500000110.5Q316 S320Q316-A318 PolarHBondContact O-N 3.43Å; A318-S320 PolarHBondContact O-N 3.04Å
319G28.9Very low37.3Very low73 Ų73108.6 Ų108.675%0.75366%0.655SS**PPolyproline II helixtrans-69119.5174.400000111.3V317 S321V317-G319 PolarHBondContact O-N 3.39Å; G319-S321 PolarHBondContact O-N 2.78Å
320S32.1Very low35.4Very low118 Ų118105.2 Ų105.283%0.82566%0.657SS**PPolyproline II helixtrans-63.6118.1174.354.60000111.6A318A318-S320 PolarHBondContact O-N 3.04Å
321S25.7Very low33.6Very low113 Ų113110.5 Ų110.579%0.7970%0.696SS**PPolyproline II helixtrans-82.5133.6174.4-168.80000111G319G319-S321 PolarHBondContact O-N 2.78Å
322P33.2Very low31.9Very low120 Ų120112.8 Ų112.878%0.77973%0.725SS**PPolyproline II helixtrans-75.4128.517530.9-33.1000110.9
323G26.1Very low30.3Very low80 Ų80117.3 Ų117.383%0.82575%0.752SS**PPolyproline II helixtrans-80.7151.1177.800000113.4
324N30.1Very low30.1Very low171 Ų171118.6 Ų118.691%0.91476%0.762SS**  trans-151.4151.7163.1-160.51.4000110.1
325G27.1Very low29.5Very low70 Ų70124.9 Ų124.972%0.72278%0.784SS**  trans92.492.9173.700000116.6
326K29.7Very low29Very low204 Ų204127.6 Ų127.689%0.88780%0.799SS**  trans-95.9155.8148.4-120.6178.1-176.6179.70107.1
327P37.2Very low29.7Very low109 Ų109124.6 Ų124.671%0.70880%0.795SS**  -157.2-177.775.743.3-23.3000117.8
328I26.7Very low29.6Very low143 Ų143125.2 Ų125.273%0.73379%0.792SS**  trans77.2105.4154.7-73.3159.4000120.2
329M25.1Very low29.6Very low172 Ų172125.3 Ų125.385%0.84779%0.787SS**  trans57.3156.8136.7-50.9-171.385.300120.3
330S26.2Very low29.6Very low98 Ų98127.3 Ų127.369%0.68579%0.79SS**  cis-146.3-178.68.7-153.20000113.3
331S27.1Very low29.4Very low120 Ų120125 Ų12584%0.83979%0.785SS**  trans-39.2156.4177.9-45.50000118
332G26Very low29.6Very low70 Ų70127.8 Ų127.872%0.72279%0.79SS**  cis154.8165.2-3.600000113.2
333D26.8Very low29.4Very low169 Ų169125 Ų12590%0.90478%0.784SS**  trans-136.9157.3179.5-94.3-53.5000112.4
334P43.1Very low29.6Very low114 Ų114128.2 Ų128.274%0.7478%0.782SS**  trans-97.1137.5-167.235.6-34.6000117.4
335K27.7Very low29.5Very low194 Ų194127.5 Ų127.584%0.84377%0.773SS**  trans20.2127.7152.2-67.5179.1173.5178.60120.6
336V26.3Very low29.6Very low131 Ų131128 Ų12879%0.79477%0.771SS**  66.6136.454.8177.20000112.2
337P41.3Very low29.6Very low110 Ų110127.5 Ų127.571%0.71476%0.764SS**  cis-126.6-165.824.121.36.6000114
338L28Very low29.1Very low151 Ų151129.3 Ų129.379%0.79176%0.762SS**  cis-135.8147.919.4-93.291.6000111.9
339S26.8Very low29.1Very low101 Ų101127.5 Ų127.571%0.70676%0.758SS**  60.613698.1-1460000115.2
340S30.2Very low29.2Very low116 Ų116127.1 Ų127.181%0.81176%0.758SS**  cis-163.9167.13.113.20000108
341G27.4Very low29.1Very low70 Ų70125.8 Ų125.872%0.72276%0.76SS**  cis-167.8-152.45.300000110.9
342D30.3Very low29.3Very low170 Ų170130 Ų13091%0.90976%0.763SS**  trans-54.4157-173.3-57-70000115.9
343G28.5Very low29.4Very low63 Ų63134.6 Ų134.665%0.64977%0.766SS**  cis140.5168.50.400000112.2
344N30.1Very low29.8Very low146 Ų146132.5 Ų132.578%0.78176%0.761SS**  trans63.5149.3166.4-72.910000118.1
345E29Very low28.9Very low156 Ų156130.3 Ų130.373%0.72976%0.759SS**  cis-157.6160-17.8-134.3-169.9118.200111
346A27.5Very low28.8Very low82 Ų82125 Ų12568%0.67876%0.759SS**  trans59.3162.313700000123.1
347R30.6Very low28.7Very low193 Ų193122.6 Ų122.673%0.72876%0.761SS**  cis-178.8121.3-32.2174.5175.5161.9176.4-5.1109.4
348Q27.2Very low28Very low146 Ų146125 Ų12568%0.68277%0.768SS**  trans64.6166.3156-67.7173-14.600115.8
349T26Very low28Very low105 Ų105123 Ų12364%0.64477%0.766SS**  cis-160.4158.6-910.70000111
350I27.7Very low28.1Very low164 Ų164125.7 Ų125.784%0.84177%0.772SS**  trans59.2124.2146.8-64.3157.4000118
351G24.1Very low28Very low71 Ų71127 Ų12773%0.73277%0.771SS**  trans-155.83.1-17700000121.1
352K30Very low28.1Very low207 Ų207131.5 Ų131.590%0.978%0.778SS**  trans61.5139175.7-68-177.9174.4179.10118.9
353E28.3Very low27.9Very low168 Ų168129.8 Ų129.879%0.78577%0.769SS**  trans-68.2161.9157.6-130.1-165.7130.300110.8
354P35.3Very low28Very low124 Ų124136.5 Ų136.581%0.80578%0.78SS**  -148.3153.27338.8-20.7000117.9
355G25.2Very low27.8Very low68 Ų68136.6 Ų136.670%0.70178%0.78SS**  6698.4124.100000119.4
356G24.3Very low28Very low82 Ų82132.9 Ų132.985%0.84577%0.765SS**  trans-161.466.3170.800000112.5
357G24.4Very low28.4Very low81 Ų81131.3 Ų131.384%0.83574%0.743SS**  trans-78.6135.3-17400000114.1
358N27.9Very low28.8Very low160 Ų160123.7 Ų123.786%0.85672%0.718SS**  trans-147.4118.3153.3-164.5-3.2000110
359C26.4Very low29.2Very low111 Ų111118.7 Ų118.775%0.7570%0.696SS**  trans-107.1125.3-178.5-63.10000109.3
360N29Very low29.5Very low156 Ų156123 Ų12383%0.83470%0.7SS**  trans-130.1105.4168.6-155.1-8.7000110.3
361N28.9Very low29.7Very low145 Ų145116.5 Ų116.578%0.77567%0.669SS**  trans-101.7115.9-176.1-69.8-42.4000109.3
362N28.7Very low30Very low163 Ų163116.6 Ų116.687%0.87266%0.664SS**  trans-155.772.3165.9-123.5-8.6000114.5
363N27.6Very low29.9Very low135 Ų135114.6 Ų114.672%0.72266%0.657SS**  trans-155121.2139.7-163.6-4.8000110
364K30.1Very low30Very low204 Ų204112 Ų11289%0.88766%0.658SS**  trans-151.944.9179.2-87.9-158.6176.7-175.20113
365N25.2Very low29.8Very low147 Ų147116.6 Ų116.679%0.78666%0.659SS**  trans-101.6106.9161.9-77.6-4.6000109.2
366L32.7Very low30Very low79 Ų79122.6 Ų122.641%0.41467%0.666SS.*  trans-105.9120.3170.2-17973.4000107.6N240 T368N240-L366 HydrophobicContact CB-CD2 4.33Å; L366-T368 PolarHBondContact O-N 3.2Å; L366-T368 PolarHBondContact O-OG1 3.5Å; L366-T368 VanDerWaalsContact O-OG1 3.13Å
367F35.7Very low30Very low48 Ų48124.8 Ų124.821%0.21167%0.667CS.*  trans-57.6131.8-176.6-178.9-87.7000110.5I369 V584 A653F367-I369 HydrophobicContact CE1-CD1 4.3Å; F367-I369 HydrophobicContact CE1-CG1 3.65Å; F367-I369 HydrophobicContact CZ-CG1 4.3Å; F367-V584 HydrophobicContact CD2-CG1 3.96Å; F367-V584 HydrophobicContact CD2-CG2 3.92Å; F367-V584 HydrophobicContact CE2-CB 4.15Å; F367-V584 HydrophobicContact CE2-CG1 3.62Å; F367-V584 HydrophobicContact CE2-CG2 3.87Å; F367-A653 HydrophobicContact CD1-CB 4.49Å; F367-A653 HydrophobicContact CE1-CB 3.74Å; F367-A653 HydrophobicContact CE2-CB 3.97Å; F367-A653 HydrophobicContact CZ-CB 3.46Å; F367-A653 VanDerWaalsContact CZ-CB 3.46Å
368T40.5Very low30Very low34 Ų34126.9 Ų126.921%0.20966%0.663CS.*  trans-145.8100-172.7-63.50000110.9T237 L366 R370T237-T368 HydrophobicContact CG2-CG2 3.86Å; T237-T368 VanDerWaalsContact CG2-OG1 3.23Å; T237-T368 WeakPolarHBondContact CG2-OG1 3.25Å; T237-T368 VanDerWaalsContact OG1-CG2 3.24Å; T237-T368 WeakPolarHBondContact OG1-CG2 3.41Å; T237-T368 PolarHBondContact OG1-OG1 2.97Å; L366-T368 PolarHBondContact O-N 3.2Å; L366-T368 PolarHBondContact O-OG1 3.5Å; L366-T368 VanDerWaalsContact O-OG1 3.13Å; T368-R370 HydrophobicContact CG2-CG 4.03Å; T368-R370 PolarHBondContact O-N 3.16Å; T368-R370 VanDerWaalsContact O-N 3.09Å
369I35.1Very low29.9Very low41 Ų41125.9 Ų125.921%0.2166%0.658CS.*  trans-56.1114.8169.7-55.7169.4000108.6F367 L591 V650F367-I369 HydrophobicContact CE1-CD1 4.3Å; F367-I369 HydrophobicContact CE1-CG1 3.65Å; F367-I369 HydrophobicContact CZ-CG1 4.3Å; I369-L591 HydrophobicContact CD1-CD1 3.94Å; I369-L591 HydrophobicContact CG1-CD1 4.31Å; I369-V650 HydrophobicContact CD1-CG1 4.41Å; I369-V650 HydrophobicContact CD1-CG2 4.04Å
370R33.2Very low29.9Very low194 Ų194126.6 Ų126.673%0.73266%0.661SS**  trans-117.8111.9174.3-75-174.9165.2-177.2-4.6109.8T368 A372T368-R370 HydrophobicContact CG2-CG 4.03Å; T368-R370 PolarHBondContact O-N 3.16Å; T368-R370 VanDerWaalsContact O-N 3.09Å; R370-A372 PolarHBondContact O-N 3.35Å
371S30.4Very low29.7Very low28 Ų28125.9 Ų125.920%0.19666%0.662CS.*  trans-58135.1170.6-43.10000111.1E373S371-E373 PolarHBondContact O-N 3.35Å
372A30.1Very low29.6Very low74 Ų74124 Ų12461%0.61266%0.661SS**SBendtrans-75.541.4-170.500000117.1R370 S374 D592R370-A372 PolarHBondContact O-N 3.35Å; A372-S374 PolarHBondContact O-N 3.38Å; A372-D592 VanDerWaalsContact CB-OD2 3.29Å; A372-D592 WeakPolarHBondContact CB-OD2 3.49Å; A372-D592 PolarHBondContact N-OD2 3.21Å
373E29.4Very low29.5Very low165 Ų165124.6 Ų124.677%0.77166%0.655SS**  trans-100.562.2176.4-68.1-172.212500112.4K211 S371K211-E373 IonicContact NZ-OE2 2.73Å; S371-E373 PolarHBondContact O-N 3.35Å
374S30.3Very low29.3Very low113 Ų113125.9 Ų125.979%0.7966%0.662SS**SBendtrans-146.322.7170.759.20000114.9A372A372-S374 PolarHBondContact O-N 3.38Å
375R31.5Very low29.1Very low220 Ų220125 Ų12583%0.8366%0.659SS**SBendtrans-131.9144.9172.4-61.4-176.4-175.91783.6108.7
376F27.7Very low29.4Very low195 Ų195124.2 Ų124.286%0.85566%0.662SS**  trans7356.2-170.5-55.8-75.1000117
377C24.6Very low29Very low127 Ų127123.6 Ų123.686%0.85867%0.674SS**  trans-103.8104.7134.6-62.20000107.4
378V26.1Very low28.5Very low125 Ų125128.1 Ų128.176%0.75870%0.7SS**  trans-134.783.1174.2-176.30000107.7
379D24.4Very low27.7Very low140 Ų140136.9 Ų136.975%0.74973%0.729SS**  trans-75.1141.1173-71.4-59.7000110.8V381D379-V381 PolarHBondContact O-N 3.38Å; D379-V381 VanDerWaalsContact O-N 3.15Å
380P27.4Very low27.3Very low125 Ų125145.2 Ų145.281%0.81276%0.764SS**  trans-78.9101.9-172.730.6-34.7000111.8S382P380-S382 PolarHBondContact O-N 3.21Å
381V24.2Very low27.1Very low141 Ų141143.2 Ų143.286%0.85577%0.767SS**PPolyproline II helixtrans-69.3126.8169.5177.30000109.9D379D379-V381 PolarHBondContact O-N 3.38Å; D379-V381 VanDerWaalsContact O-N 3.15Å
382S26.1Very low27Very low107 Ų107151.5 Ų151.575%0.74880%0.8SS**PPolyproline II helixtrans-65.3153.7179.8-168.20000112.4P380P380-S382 PolarHBondContact O-N 3.21Å
383K27.2Very low26.8Very low174 Ų174151 Ų15176%0.75780%0.803SS**PPolyproline II helixtrans-79.9134.4174.7-61.6173.5-177173.10110.2
384D23.4Very low26.7Very low163 Ų163150.4 Ų150.487%0.87281%0.805SS**  trans-140.4138.1150.8-98.6-49.5000109.7
385F26.2Very low26.7Very low185 Ų185153.1 Ų153.181%0.81181%0.805SS**  trans-125.1123.6-177-93.3-87.1000110.3
386P30.5Very low26.5Very low131 Ų131150.1 Ų150.185%0.85181%0.805SS**  trans-83.3113.5154.432-27.2000108.9
387G24.4Very low26.6Very low65 Ų65146.8 Ų146.867%0.6780%0.801SS**  trans-111.1168.3172.200000112.1
388L24.9Very low26.9Very low144 Ų144145.9 Ų145.975%0.75480%0.803SS**  trans-162.7125.1148.7-153.259.4000115.1
389R24.4Very low26.9Very low218 Ų218143.6 Ų143.682%0.82381%0.805SS**  trans40123.4151.1-62.1169.2-168.3-174.42.7120.5
390K27.6Very low27.2Very low215 Ų215144.2 Ų144.294%0.93581%0.808SS**  -157175.594.6-109.9171.7178.2176.10111.5
391N27.5Very low27.2Very low152 Ų152147.5 Ų147.581%0.81380%0.804SS**  trans-152.9160.8-153.5-162.1-2.9000112.7
392K29Very low27.3Very low202 Ų202146.3 Ų146.388%0.87879%0.789SS**  trans72.7149.3-178.7-55.6-177.3175.7-1740116.2
393G26.1Very low27.5Very low65 Ų65149.9 Ų149.967%0.6779%0.786SS**  cis169.5175.2-6.200000114.4
394N27Very low27.6Very low152 Ų152148.1 Ų148.181%0.81378%0.781SS**  trans71.8132-179.9-59.615.5000114.9
395Q30Very low27.7Very low170 Ų170146.8 Ų146.879%0.79478%0.779SS**  cis91.3120.138.7-79.3-167.2-13.100114.3
396D27.3Very low27.7Very low156 Ų156141.7 Ų141.783%0.83478%0.779SS**  -172.8-168.5129.4-101.1-29.8000113.7
397T31.3Very low27.4Very low125 Ų125142 Ų14277%0.76778%0.779SS**  trans-116.8144.4-133.732.90000120.3
398A29Very low27.5Very low108 Ų108143.3 Ų143.389%0.89378%0.777SS**  trans65.2139130.100000126.9
399G27.9Very low27.6Very low78 Ų78144.8 Ų144.880%0.80478%0.78SS**  trans110.9155.1145.300000118.5
400N30Very low27.7Very low153 Ų153138.7 Ų138.782%0.81878%0.776SS**  cis-169.2163.1-21.7-163.13.6000111.7
401R27.1Very low27.7Very low193 Ų193136.4 Ų136.473%0.72878%0.775SS**  trans69.3126.6164.5-64.5-162.3105142.77.8119.4
402E26.9Very low27.8Very low117 Ų117135.9 Ų135.955%0.54777%0.771SS.*  73140.477.8-67.3-165.7116.700114.6
403R28.9Very low27.7Very low181 Ų181136 Ų13668%0.68378%0.775SS**  cis-165.2160.33.5-122.5176.4-172.9-121.57.9112.5
404Q30.5Very low28Very low137 Ų137140 Ų14064%0.6478%0.776SS**  trans50.8111.3146.3-73175.4-5900120.5
405T26.3Very low28.1Very low135 Ų135138.8 Ų138.883%0.82878%0.78SS**  80.7123.567.560.60000116.5
406G25.3Very low28.3Very low79 Ų79138.8 Ų138.881%0.81478%0.78SS**  trans-159.3128.4170.300000114.2
407T24.7Very low28.2Very low138 Ų138137 Ų13785%0.84778%0.778SS**  trans-70.7165.2173.5-15.60000110.6
408S26.4Very low28.6Very low91 Ų91138.1 Ų138.164%0.63678%0.779SS**  cis-158171.421.6-51.10000113.2
409Q27.2Very low28.5Very low176 Ų176142.4 Ų142.482%0.82278%0.777SS**  trans24.3119.9147.8-66.3161.1-63.300119.4
410A26.6Very low28.6Very low89 Ų89144.6 Ų144.674%0.73678%0.775SS**  76.4119.852.100000115.6
411N27Very low28.9Very low168 Ų168144.4 Ų144.490%0.89877%0.773SS**  trans-152.6131.3150.1-97.6-29.2000107.6
412N29Very low29Very low140 Ų140142.9 Ų142.975%0.74978%0.779SS**  trans-97.7152.9173.6-77.6-1.2000109.8
413E28Very low29.2Very low206 Ų206145 Ų14596%0.96379%0.786SS**  -131.8150.2123.3-78.7-152.112900109.1
414E30.9Very low29.5Very low148 Ų148141.4 Ų141.469%0.69278%0.781SS**  trans-137.9146.7-167.8178.9-174176.200109.6
415S29.2Very low29.4Very low126 Ų126141.9 Ų141.988%0.88179%0.787SS**  trans-158.795.5154.9-85.90000112.5
416Q34.4Very low29.4Very low171 Ų171142 Ų14280%0.79979%0.788SS**  trans-109.9154.6150.8-67.1-172.91.900109.1
417C26.4Very low29.5Very low117 Ų117149 Ų14979%0.79179%0.79SS**  trans-158.4152.2137.4-131.20000114.5
418L38.6Very low30.5Very low150 Ų150146.9 Ų146.979%0.78578%0.779SS**  trans-122.2170.3163.8-69.4162.9000107
419K28.3Very low30.4Very low197 Ų197148.7 Ų148.786%0.85779%0.786SS**  167.7168.8130-90.7152.3-169.3169.40113.9
420T29.4Very low30.4Very low124 Ų124144.7 Ų144.776%0.76178%0.783SS**  trans-123.3142.6-177.938.60000112.1
421I36.1Very low30.5Very low150 Ų150146.1 Ų146.177%0.76978%0.783SS**  trans34.2116141.7-51170.2000118.9
422N29.4Very low30.5Very low161 Ų161146.5 Ų146.586%0.86178%0.778SS**  -164.2-167.6116.8-122.2-45.4000114.5
423K31.6Very low30.5Very low161 Ų161144.9 Ų144.970%0.777%0.774SS**  trans-130.4155.4-143.2-151-166172-119.10116.6
424D35Very low30.5Very low106 Ų106141.4 Ų141.457%0.56777%0.767SS**  trans73.4132.9156.6-66.9-23.8000123.7
425N28Very low30.4Very low146 Ų146138.2 Ų138.278%0.78177%0.766SS**  trans61.2129.6152.7-55.9-30.7000119.8
426T26.5Very low30.5Very low137 Ų137142.2 Ų142.284%0.8477%0.767SS**  cis-162.2158.848-52.20000114.3
427R26.2Very low30Very low227 Ų227137.3 Ų137.386%0.85776%0.763SS**  trans-71171.4176165.6178.4-161.8-117.85.6114.2
428P45.3Very low30.9Very low94 Ų94137.3 Ų137.361%0.6176%0.761SS**  cis-137.9-1793.427.5-1.9000119.9
429T25.3Very low30.3Very low129 Ų129136.3 Ų136.379%0.79176%0.761SS**  trans90.912813721.20000125.2
430A27.8Very low30Very low92 Ų92135.7 Ų135.776%0.7676%0.755SS**  trans67.8155.1150.300000117.6
431V27Very low30Very low119 Ų119135.9 Ų135.972%0.72175%0.747SS**  cis-142.6125.521.5163.60000112.2
432H28.8Very low29.6Very low175 Ų175134.2 Ų134.281%0.8174%0.736SS**  trans57.6173.1150.1-65.4-156000121.5
433T28.2Very low29.4Very low106 Ų106137.2 Ų137.265%0.6574%0.735SS**  cis-166.7160.7-48.8-71.10000108.1
434T27.2Very low29.3Very low134 Ų134135 Ų13582%0.82273%0.727SS**  trans83.3148.2171.374.80000118.3
435A30.3Very low29Very low81 Ų81136.3 Ų136.367%0.66974%0.74SS**  cis-166.6162.7-29.600000112.4
436K30.6Very low29Very low209 Ų209135.1 Ų135.191%0.90973%0.733SS**  trans74.4120.2161.9-51.6-171.3-177179.60119.5
437G23.5Very low28.9Very low68 Ų68136.6 Ų136.670%0.70174%0.735SS**  trans-87.6-145.2148.800000110.9
438P45.4Very low29Very low118 Ų118131.6 Ų131.677%0.76673%0.73SS**  cis-148.9-16733.645.3-25.5000116.7
439V26.8Very low29.1Very low129 Ų129132.5 Ų132.578%0.78274%0.735SS**  trans70.2136.7154.8163.40000116.8
440Y21.5Very low29.1Very low184 Ų184132.7 Ų132.772%0.72274%0.736SS**  cis-145.71413.3-142.5-132.5000107.9
441Q28.5Very low29.1Very low127 Ų127137.4 Ų137.459%0.59374%0.74SS**  44.2140.886.8-82.6-167.8-70.600116.7
442E28.4Very low29.2Very low115 Ų115135.9 Ų135.954%0.53774%0.74SS.*  cis-163.2-154.3-18.4-137.1-165.2113.100107.9Q444E442-Q444 PolarHBondContact OE1-NE2 3.05Å
443W26.3Very low29.2Very low225 Ų225135 Ų13585%0.85274%0.736SS**  cis-144.8-144.810.432.4-83.8000111.3
444Q28.5Very low29.2Very low114 Ų114137.6 Ų137.653%0.53374%0.741SS.*  trans-138.3161-156.3-50.8153.227.900113.8E442 N446E442-Q444 PolarHBondContact OE1-NE2 3.05Å; Q444-N446 PolarHBondContact OE1-ND2 2.88Å; Q444-N446 VanDerWaalsContact OE1-ND2 3.15Å
445T27.8Very low29.1Very low134 Ų134135.1 Ų135.182%0.82274%0.741SS**  trans-152.1107.7140.546.40000107.7
446N28.4Very low29.1Very low121 Ų121139 Ų13965%0.64775%0.75SS**  66.5109.461.5-71.7-45.6000115.7Q444Q444-N446 PolarHBondContact OE1-ND2 2.88Å; Q444-N446 VanDerWaalsContact OE1-ND2 3.15Å
447L24.9Very low28.8Very low168 Ų168139.1 Ų139.188%0.8875%0.751SS**  -161.3137.9125.5-100.6178.3000111.1
448T28.8Very low29.1Very low122 Ų122140.4 Ų140.475%0.74876%0.755SS**  trans-151.9-174.517264.90000106.6
449P46.3Very low28Very low112 Ų112146.5 Ų146.573%0.72776%0.762SS**  cis-119.2-158.4-10.738.3-19.5000111.9
450V25.1Very low28.2Very low133 Ų133148.4 Ų148.481%0.80676%0.763SS**  -165.4164.884.4157.60000110.1
451K28.4Very low29.3Very low192 Ų192144.4 Ų144.484%0.83576%0.759SS**  trans-112.1177.4-177.3-61.6178.2175.81790113.2
452A29.3Very low29.2Very low87 Ų87145.2 Ų145.272%0.71976%0.763SS**  trans82.4148.2146.100000118
453E29.7Very low29.1Very low155 Ų155147.4 Ų147.472%0.72477%0.773SS**  cis-162165.5-12.4-118.3-170.5136.300114
454Q28.4Very low29.8Very low162 Ų162141.7 Ų141.776%0.75777%0.765SS**  trans48.7141.7148.8-63.3-178.131.200123.2
455G25Very low29.7Very low81 Ų81141 Ų14184%0.83577%0.773SS**  trans178.981.6169.800000114
456L29.5Very low29.5Very low163 Ų163141.3 Ų141.385%0.85377%0.768SS**  trans-90.6137.8-175.8-81.3151.1000113.9
457K25.2Very low29.3Very low212 Ų212139.9 Ų139.992%0.92277%0.767SS**  -169.7150.9124.5-108.4166.7-174.8174.40112.9
458A28.4Very low29.5Very low95 Ų95140.8 Ų140.879%0.78576%0.76SS**  trans-133.9158177.400000110.4
459R23.9Very low29.5Very low246 Ų246140.1 Ų140.193%0.92876%0.756SS**  trans-163.4119.2154-114.1178.2-178.3-168.7-1.6113.2
460Q29.8Very low28.6Very low169 Ų169140.3 Ų140.379%0.7976%0.755SS**  trans-95.8178.6143.1-81.8-69.1200106.3
461P45.1Very low28.7Very low100 Ų100139.6 Ų139.665%0.64975%0.751SS**  cis-162.3-171.44446.2-21.4000120.6
462E26.6Very low28.6Very low143 Ų143136.1 Ų136.167%0.66875%0.746SS**  trans63.2112.5155.5-49.1-40.364.100125.2
463H26.3Very low28.7Very low161 Ų161136.9 Ų136.975%0.74575%0.747SS**  59.4167.9121.5-71.4-55.2000123.7
464P41.5Very low29Very low105 Ų105133.9 Ų133.968%0.68274%0.742SS**  cis-140.6171.8-24.733.9-12.9000118.1
465S24.8Very low29.2Very low100 Ų100133.2 Ų133.270%0.69974%0.744SS**  trans67.6134.1137.663.10000127.3
466L23.8Very low29.6Very low140 Ų140136.1 Ų136.173%0.73375%0.746SS**  trans80.9120.6138-101.877.4000125.2
467C25.2Very low30.5Very low92 Ų92133.9 Ų133.962%0.62274%0.741SS**  trans55.7158.8130.5-66.80000122.1
468Y29.3Very low30.9Very low186 Ų186131.1 Ų131.173%0.72973%0.734SS**  cis-141.9135.728.5-78.6-92.6000112.7
469T28.8Very low31Very low108 Ų108131.7 Ų131.766%0.66373%0.733SS**  62.9156.395.383.30000116.5
470T26.8Very low32Very low116 Ų116125.5 Ų125.571%0.71272%0.724SS**  cis-151.5165.715.3-220000107.1
471T25.9Very low31.8Very low118 Ų118124.2 Ų124.272%0.72473%0.728SS**  cis-152.3-173.415.8-29.10000106
472T26.8Very low30.9Very low119 Ų119130.6 Ų130.673%0.7374%0.739SS**  cis-155.31527.6-21.40000104.6
473S32.2Very low32.6Very low104 Ų104129.1 Ų129.173%0.72774%0.742SS**  cis66.2138.340.3-72.80000114.7
474S36.7Very low33.5Very low91 Ų91127.1 Ų127.164%0.63674%0.743SS**  cis-162.4175.8-11.460.10000110
475N31.3Very low32.8Very low149 Ų149128.6 Ų128.680%0.79775%0.75SS**  cis-144.6157.224.6-70.9-63.3000112.8
476V33.7Very low32.9Very low142 Ų142127 Ų12786%0.86175%0.75SS**  trans-150.6136-177.2177.50000113.5
477P49.2Very low33Very low116 Ų116129.7 Ų129.775%0.75376%0.759SS**  trans-134.4103174.536.8-18.6000118.2
478I33.5Very low33.2Very low154 Ų154131.3 Ų131.379%0.7977%0.766SS**  49116128.3-55.3168.4000122.7
479S29.6Very low33.7Very low107 Ų107128.6 Ų128.675%0.74877%0.771SS**  24.3164.4129.2-45.10000123.6
480P44.8Very low33.6Very low116 Ų116127.7 Ų127.775%0.75377%0.774SS**  cis-154.4-17223.246.8-24.7000120.9
481T26.7Very low34.1Very low142 Ų142129.7 Ų129.787%0.87178%0.78SS**  trans85.7-179.2148.5-50.20000121.5
482R26.6Very low34.8Very low234 Ų234130.1 Ų130.188%0.88379%0.785SS**  trans-128159.9-147.8-177.1173.2-177.9-114.2-4.2113
483P61.6Low35.8Very low112 Ų112130 Ų13073%0.72779%0.785SS**  trans-102.1-173.8-162.441.8-38.3000116.2
484P44.4Very low35.5Very low119 Ų119132.1 Ų132.177%0.77379%0.794SS**  -151.1-176.8120.741.5-24.5000117.8
485T26.6Very low35.1Very low135 Ų135131.6 Ų131.683%0.82880%0.795SS**  trans-9.9151.4154.4-40.50000119.4
486G26.8Very low34.7Very low66 Ų66131.8 Ų131.868%0.6880%0.796SS**  cis151-170.20.600000112.5
487Q27Very low34.3Very low198 Ų198135.1 Ų135.193%0.92579%0.792SS**  trans101.2167.9170.5-55.6-16333.300120.9
488T30.2Very low33Very low126 Ų126137 Ų13777%0.77380%0.795SS**  trans-116.7174.8-155.1-19.50000113.7
489P38Very low32.6Very low129 Ų129134.5 Ų134.584%0.83879%0.792SS**  -144.8-173.1106.837.5-20.8000114.7
490A26.6Very low32.8Very low88 Ų88138.4 Ų138.473%0.72780%0.798SS**  trans-136.1159.8-158.500000117.3
491L37.3Very low32.1Very low159 Ų159138.6 Ų138.683%0.83280%0.799SS**  trans32.9142.3147.8-59.6177.5000121.7
492P40.8Very low32.1Very low127 Ų127137.6 Ų137.683%0.82579%0.793SS**  -145.416792.840.2-26.4000116.5
493P48.6Very low31.9Very low115 Ų115132.4 Ų132.475%0.74779%0.791SS**  trans-114.4155175.440-30.8000115.2
494V26.4Very low30.1Very low150 Ų150134.4 Ų134.491%0.90980%0.795SS**  trans-144.1153.8162.3179.70000109.2
495A26.9Very low29.1Very low80 Ų80137.6 Ų137.666%0.66180%0.797SS**  trans-135.8-169.1179.700000111.6
496L24.2Very low29Very low153 Ų153139.5 Ų139.580%0.80180%0.796SS**  trans83.9144.4175.6-47.9-178.4000114.9
497R24.4Very low28.8Very low211 Ų211142.7 Ų142.780%0.79680%0.802SS**  cis-163.9-176.6-6.1-109.3-92-176.71583.6109.6
498L23.1Very low28.7Very low156 Ų156139.9 Ų139.982%0.81779%0.793SS**  trans82.5138.6166.7-47.6174.9000115.7
499S24.9Very low29.1Very low101 Ų101138.8 Ų138.871%0.70679%0.788SS**  cis-159.9153.4-15.1-99.30000111.5
500E32.6Very low28.5Very low189 Ų189144.1 Ų144.188%0.88379%0.792SS**  trans-77.7153.9162.3-58.6174.6135.700111.2
501P30.9Very low28.5Very low120 Ų120147.6 Ų147.678%0.77979%0.791SS**  trans-104107.9159.433.7-26.2000113.1
502V26.2Very low28.2Very low122 Ų122145.9 Ų145.974%0.73979%0.789SS**  trans65.2114.4135.2-175.70000119.7L504V502-L504 HydrophobicContact CG1-CD2 4.26Å; V502-L504 HydrophobicContact CG1-CG 4.23Å
503C21.9Very low27.8Very low125 Ų125145.7 Ų145.785%0.84578%0.78SS**PPolyproline II helixtrans-101.6141.8147.71780000109.2
504L24Very low27.6Very low153 Ų153145.4 Ų145.480%0.80178%0.778SS**PPolyproline II helixtrans-93.7134179.2-74.5168.8000112.3V502V502-L504 HydrophobicContact CG1-CD2 4.26Å; V502-L504 HydrophobicContact CG1-CG 4.23Å
505K24.4Very low27.5Very low187 Ų187144.7 Ų144.781%0.81377%0.768SS**PPolyproline II helixtrans-100.2172.2154.6-55.5-178.8177.6176.80107.6
506E24.5Very low27.4Very low175 Ų175146.8 Ų146.882%0.81878%0.776SS**  cis-123.6-1698-44.1-172.8108.200109.9
507V22.3Very low27.5Very low133 Ų133148.1 Ų148.181%0.80678%0.779SS**  cis-156.515149.71660000110
508N25.3Very low27.6Very low139 Ų139141.9 Ų141.974%0.74378%0.779SS**  trans-107.3150.4169.7-177.53.5000108.8
509P37.3Very low27.8Very low103 Ų103141.6 Ų141.667%0.66978%0.784SS**  -151.2152.2116.540.8-25.2000118
510R25.5Very low27.9Very low240 Ų240140.2 Ų140.291%0.90679%0.785SS**  trans97.9132.3151.1-48.2-152.4170.8163.8-1119.9
511K27.5Very low27.7Very low162 Ų162138.3 Ų138.370%0.70478%0.78SS**  trans-113.3166.4164.8-145.5-179.1-173.6178.70106.5
512P30.3Very low27.6Very low123 Ų123140.5 Ų140.580%0.79978%0.778SS**  -145.9176.984.237.4-19000115.8
513L32.6Very low27.6Very low122 Ų122143.3 Ų143.364%0.63978%0.783SS**  trans-105.2-171.8167.5-78.4170.1000107.4
514P43.8Very low27.8Very low109 Ų109141.4 Ų141.471%0.70878%0.784SS**  cis-151.4170.918.645.7-24.4000120.8
515I24.4Very low28Very low136 Ų136139.7 Ų139.770%0.69779%0.785SS**  trans20.7133.3131.6-48.2169.8000121.1E517I515-E517 HydrophobicContact CG2-CG 3.9Å
516C24.7Very low28.2Very low123 Ų123136.5 Ų136.583%0.83179%0.785SS**  trans-149.6112.2137.8-114.70000106.4
517E26.1Very low28.4Very low182 Ų182133.5 Ų133.585%0.8578%0.783SS**  65.4128.474.3-63-136.9135.600115.1I515I515-E517 HydrophobicContact CG2-CG 3.9Å
518G26.7Very low29.3Very low79 Ų79132.8 Ų132.881%0.81478%0.781SS**  trans16548.7-175.200000119
519V28.4Very low29.3Very low151 Ų151132.2 Ų132.292%0.91578%0.782SS**  trans-24.3138.4174.4-177.20000118.8
520G26.5Very low28.9Very low71 Ų71137.1 Ų137.173%0.73279%0.793SS**  trans-168.540.3179.100000123.5
521L28.8Very low29.2Very low149 Ų149130.6 Ų130.678%0.7878%0.784SS**  trans55116.2154.6-67.4166.5000123.9
522K28.5Very low29.4Very low166 Ų166128.9 Ų128.972%0.72279%0.79SS**  trans78.3120.8130-73.3-177.4173.1-174.60124.7
523Q26.3Very low29.3Very low182 Ų182131.4 Ų131.485%0.8580%0.796SS**  trans70.5117.8131.1-65.2176.8-6400121.3
524G26.2Very low29.2Very low84 Ų84136.8 Ų136.887%0.86681%0.808SS**  trans176.8135.9163.700000110.2
525S28.7Very low28.7Very low117 Ų117136.8 Ų136.882%0.81881%0.808SS**  trans-117.7170-174-164.80000112.8
526C28Very low29.3Very low121 Ų121136.4 Ų136.482%0.81881%0.814SS**  trans75.6109166.8-59.20000119.1
527S28.1Very low29.4Very low112 Ų112135 Ų13578%0.78381%0.811SS**  trans-68.9179.3147.2-30.80000110.9
528P40.8Very low29.6Very low117 Ų117133.1 Ų133.176%0.7681%0.812SS**  cis-137.9-163.50.929.4-3.7000114.8
529V25.3Very low29.7Very low127 Ų127138.3 Ų138.377%0.7782%0.815SS**  trans84.2106.7160.2-168.70000118.7
530K29Very low29.6Very low206 Ų206136.1 Ų136.190%0.89681%0.806SS**  -158.3160.9125.1-108.7160.3-171.7172.40112.5
531S32.8Very low29.7Very low103 Ų103140.6 Ų140.672%0.7281%0.812SS**PPolyproline II helixtrans-74169.8-156-44.30000116.8
532P31.8Very low29.5Very low127 Ų127140.5 Ų140.583%0.82581%0.812SS**PPolyproline II helixtrans-69161-179.3-18.332.6000115.2
533L27.5Very low29.7Very low176 Ų176138.2 Ų138.292%0.92182%0.817SS**PPolyproline II helixtrans-71.1160.3171.2-97.770.2000113
534R30.1Very low29.7Very low235 Ų235136.3 Ų136.389%0.88782%0.818SS**  trans-109138.3-178.6-166.4-172.7-160.1-167.25.5109.4
535P34.8Very low29.9Very low109 Ų109138.5 Ų138.571%0.70881%0.814SS**PPolyproline II helixtrans-69.6154.917429.7-34.9000111.7
536P35.6Very low29.8Very low127 Ų127137.6 Ų137.683%0.82581%0.814SS**PPolyproline II helixtrans-76.7160.3-179.232.7-35.9000112.7
537A26.6Very low29.9Very low94 Ų94139.8 Ų139.878%0.77782%0.817SS**PPolyproline II helixtrans-97.5159.3167.300000110.5
538V30.5Very low29.8Very low143 Ų143142 Ų14287%0.86782%0.82SS**  trans-130.5136168.4-178.60000107.3
539E28.5Very low29.3Very low188 Ų188143.3 Ų143.388%0.87982%0.819SS**  trans-92.7170.3-174.5-65.1-17212800112.9
540S26.6Very low29.6Very low104 Ų104145.6 Ų145.673%0.72783%0.826SS**  trans-90.9144.1-173175.10000112.3
541I28Very low29.4Very low165 Ų165143.9 Ų143.985%0.84682%0.821SS**  trans-136.7135.4162-36.6177.5000108.1
542N26.1Very low29.1Very low148 Ų148146 Ų14679%0.79183%0.825SS**  trans-100.5149.2171.4-71.5-17.2000110.6
543S31.8Very low29.9Very low117 Ų117145.3 Ų145.382%0.81882%0.82SS**  trans-81.5158.4178.1-47.60000113.5
544T27.4Very low29.8Very low143 Ų143142.5 Ų142.588%0.87782%0.815SS**  trans-167151.8135.7-74.10000110.1
545T30.1Very low29.8Very low129 Ų129136.1 Ų136.179%0.79181%0.812SS**  trans-79.7146.8-172.5-41.10000114.4
546A25.5Very low29.6Very low98 Ų98135.2 Ų135.281%0.8181%0.814SS**  trans-152.7142.3145.900000110.1
547L32Very low29.6Very low167 Ų167138.2 Ų138.287%0.87481%0.814SS**  trans-114.4136.1163.8-83.1169000106.7
548D25.9Very low30Very low159 Ų159143.7 Ų143.785%0.8582%0.82SS**  trans-151.4160161.4-128-34.7000114.1
549I30.3Very low29.9Very low144 Ų144140.4 Ų140.474%0.73882%0.816SS**  trans-86.5152.1-157.5-64.1154000112.7
550L30.3Very low30.2Very low175 Ų175141.6 Ų141.692%0.91682%0.818SS**  trans-142.2145.9154.5-167.662.4000111.5
551E24.8Very low30.5Very low170 Ų170147.6 Ų147.679%0.79483%0.826SS**  trans-94.7148.4-169.8-62.9-17996.400115.1
552N27Very low30.6Very low149 Ų149148.2 Ų148.280%0.79783%0.831SS**  trans-6.1165.6140.6-80.2-33.7000120.6
553P48.1Very low31Very low112 Ų112146.6 Ų146.673%0.72783%0.831SS**  cis-144.3-163.6-2739.2-19.4000114.1
554S25.5Very low31.7Very low116 Ų116145.8 Ų145.881%0.81182%0.823SS**  trans88.3112.5148.8-162.40000120.6
555A29.5Very low31.9Very low101 Ų101146.6 Ų146.684%0.83582%0.822SS**  -173.9140.3117.800000111.4
556A32.2Very low31.9Very low90 Ų90144.2 Ų144.274%0.74482%0.815SS**  trans-91.5155.3-169.600000115.4
557K35.2Very low32.6Very low191 Ų191144.6 Ų144.683%0.8382%0.818SS**  175.8137.5117.2-94.6154.4-169.8172.30114.9
558K34.2Very low32.5Very low208 Ų208145.4 Ų145.490%0.90482%0.815SS**  trans64.4133.6164.9-56.9170.6-178178.80115.7
559G29.8Very low33.1Very low75 Ų75148.4 Ų148.477%0.77381%0.814SS**  cis120.188.4-4.200000113.5
560K33.9Very low33.2Very low212 Ų212146.8 Ų146.892%0.92281%0.811SS**  trans-161.3121.5161.3-108175.2-178-177.60109.1
561Y32.2Very low33.5Very low230 Ų230146.6 Ų146.690%0.90281%0.806SS**  trans-86.2128.1169.3-95-100.3000109.7
562L31.8Very low34Very low179 Ų179145.5 Ų145.594%0.93780%0.803SS**  trans-151.1146.7146.8-81.2-170.7000109.4
563S33.1Very low34.5Very low114 Ų114149.5 Ų149.580%0.79781%0.806SS**  trans-155.7164.3176.8-148.50000106
564P47.2Very low34Very low99 Ų99148.7 Ų148.764%0.64380%0.804SS**  cis-135.9-164.211.643.2-24.7000114.8
565N31.9Very low34.8Very low160 Ų160148.1 Ų148.186%0.85680%0.797SS**  trans62.989.8158.4-67-8.8000118.6
566A28.9Very low35.4Very low79 Ų79147.9 Ų147.965%0.65379%0.789SS**  trans-127.1124.1142.200000108.6F568A566-F568 PolarHBondContact O-N 3.14Å
567A40.8Very low35.9Very low106 Ų106148 Ų14888%0.87677%0.77SS**  trans-7892.8-176.300000110.9R569A567-R569 PolarHBondContact O-N 2.94Å
568F30Very low36.2Very low185 Ų185145.2 Ų145.281%0.81176%0.762SS**  trans-6994.7168.6-80.8-83.5000110.1A566 T570A566-F568 PolarHBondContact O-N 3.14Å; F568-T570 VanDerWaalsContact C-N 3.34Å; F568-T570 PolarHBondContact O-N 3.5Å
569R38.2Very low36.7Very low221 Ų221143.3 Ų143.383%0.83475%0.754SS**  trans-58.7103.1151.3-80.4-174.9168.3-125.1-2.8107.1A567 E571A567-R569 PolarHBondContact O-N 2.94Å; R569-E571 PolarHBondContact O-N 2.82Å
570T33.1Very low38.3Very low110 Ų110147.7 Ų147.768%0.67575%0.754SS**  trans-70.578.6165.4-50.20000107.9F568 M572F568-T570 VanDerWaalsContact C-N 3.34Å; F568-T570 PolarHBondContact O-N 3.5Å; T570-M572 HydrophobicContact CG2-CE 4.13Å; T570-M572 HydrophobicContact CG2-CG 4.15Å; T570-M572 PolarHBondContact O-N 3.45Å
571E37Very low40.4Very low171 Ų171140.4 Ų140.480%0.79972%0.723SS**  trans-67.783.9171.4-169.5161.7-107.400107.6R569 R573R569-E571 PolarHBondContact O-N 2.82Å; E571-R573 PolarHBondContact O-N 2.83Å
572M34.5Very low43Very low148 Ų148132.2 Ų132.273%0.72969%0.694SS**  trans-61.887.6175.7-85.3-69.1-175.100108.6T570 S574T570-M572 HydrophobicContact CG2-CE 4.13Å; T570-M572 HydrophobicContact CG2-CG 4.15Å; T570-M572 PolarHBondContact O-N 3.45Å; M572-S574 PolarHBondContact O-N 3.4Å
573R37.6Very low45.7Very low232 Ų232127.3 Ų127.388%0.87567%0.673SS**  trans-51.7106.4174.1-179.5176.8-176.4153.40.3108.7E571E571-R573 PolarHBondContact O-N 2.83Å
574S38.2Very low48.2Very low96 Ų96124 Ų12467%0.67165%0.648SS**  trans-46.6129.3176.2-57.70000109.8M572M572-S574 PolarHBondContact O-N 3.4Å
575P42.9Very low50.2Low104 Ų104125.6 Ų125.668%0.67565%0.647SS**  trans-55.3155-179.3-28.135.7000112.5W577P575-W577 PolarHBondContact O-N 2.84Å
576S41Very low53.2Low96 Ų96121.5 Ų121.567%0.67162%0.623SS**SBendtrans-77.744-170.4-171.40000114.2F579S576-F579 WeakPolarHBondContact OG-CD2 3.39Å
577W42.2Very low56Low91 Ų91117.8 Ų117.835%0.34559%0.592SS.*G310 helixtrans-78.8-19.8-175.360.9-92.5000114.4P575 F579 H580P575-W577 PolarHBondContact O-N 2.84Å; W577-F579 PolarHBondContact O-N 3.13Å; W577-H580 PolarHBondContact O-N 2.92Å
578M42.2Very low58.2Low133 Ų133115.4 Ų115.466%0.65556%0.563SS**G310 helixtrans-57.7-16.6-178.3-70.6-66.9-163.600115.4H580M578-H580 VanDerWaalsContact C-N 3.34Å; M578-H580 PolarHBondContact O-N 2.73Å
579F44.7Very low61.2Low168 Ų168112.1 Ų112.174%0.73755%0.548SS*.G310 helixtrans-84.31.3-178-69.5-78.1000114.9S576 W577S576-F579 WeakPolarHBondContact OG-CD2 3.39Å; W577-F579 PolarHBondContact O-N 3.13Å
580H62.7Low63.8Low167 Ų167104.3 Ų104.377%0.77352%0.521SS*.SBendtrans-120.60.8178.9-64.1-8.9000113.7W577 M578 I582W577-H580 PolarHBondContact O-N 2.92Å; M578-H580 VanDerWaalsContact C-N 3.34Å; M578-H580 PolarHBondContact O-N 2.73Å; H580-I582 PolarHBondContact O-N 2.73Å
581H79.5Confident66.5Low59 Ų5999.2 Ų99.227%0.27349%0.49SS..  trans-79.7115.8173.5-160.6-44.9000109.6Q656H581-Q656 PolarHBondContact CE1-OE1 3.19Å; H581-Q656 PolarHBondContact ND1-OE1 3.16Å
582I84.8Confident68.9Low58 Ų5893.6 Ų93.630%0.29747%0.465SS..  trans-78.3139.5168.9-57.9-172.1000107.8H580 Q586 I587 L652 Q656H580-I582 PolarHBondContact O-N 2.73Å; I582-Q586 HydrophobicContact CG2-CB 3.95Å; I582-Q586 HydrophobicContact CG2-CG 3.77Å; I582-I587 HydrophobicContact CB-CD1 4.24Å; I582-I587 HydrophobicContact CB-CG1 4.13Å; I582-I587 HydrophobicContact CG2-CD1 4.48Å; I582-I587 HydrophobicContact CG2-CG1 3.84Å; I582-L652 HydrophobicContact CD1-CD2 3.71Å; I582-L652 HydrophobicContact CG1-CD2 4.19Å; I582-Q656 VanDerWaalsContact N-NE2 3.12Å; I582-Q656 PolarHBondContact O-OE1 3.06Å
583P90.5Very high71.7Confident76 Ų7689.6 Ų89.649%0.49445%0.447SS..  trans-57.1142.4175.7-25.935.3000112.5E585 Q586 I587P583-E585 WeakPolarHBondContact CB-OE2 3.48Å; P583-E585 PolarHBondContact O-N 2.74Å; P583-Q586 HydrophobicContact CB-CB 4.25Å; P583-Q586 WeakPolarHBondContact O-CB 3.43Å; P583-Q586 PolarHBondContact O-N 2.69Å; P583-I587 PolarHBondContact O-N 2.71Å; P583-I587 VanDerWaalsContact O-N 3.15Å
584V84.9Confident74.3Confident45 Ų4579 Ų7927%0.27341%0.407SS..Hα-helixtrans-53.1-45.4179160.20000110.8F367 Q586 I587 E588F367-V584 HydrophobicContact CD2-CG1 3.96Å; F367-V584 HydrophobicContact CD2-CG2 3.92Å; F367-V584 HydrophobicContact CE2-CB 4.15Å; F367-V584 HydrophobicContact CE2-CG1 3.62Å; F367-V584 HydrophobicContact CE2-CG2 3.87Å; V584-Q586 VanDerWaalsContact C-N 3.25Å; V584-Q586 PolarHBondContact O-N 3.26Å; V584-I587 PolarHBondContact O-N 3.37Å; V584-I587 VanDerWaalsContact O-N 3.14Å; V584-E588 HydrophobicContact CG1-CG 4.41Å; V584-E588 WeakPolarHBondContact O-CG 3.35Å; V584-E588 PolarHBondContact O-N 3Å
585E89.3Confident76.6Confident133 Ų13375.7 Ų75.762%0.62138%0.381SS*.Hα-helixtrans-66.2-28-176.8-52.879.5-177.900112.1P583 K589P583-E585 WeakPolarHBondContact CB-OE2 3.48Å; P583-E585 PolarHBondContact O-N 2.74Å; E585-K589 VanDerWaalsContact O-CB 3.29Å; E585-K589 WeakPolarHBondContact O-CB 3.3Å; E585-K589 PolarHBondContact O-N 2.98Å; E585-K589 VanDerWaalsContact O-N 3.12Å
586Q93.6Very high78.9Confident74 Ų7476.5 Ų76.535%0.34638%0.377SS..Hα-helixtrans-78.2-38174.9176.362.327.600111I582 P583 V584 K589 E590I582-Q586 HydrophobicContact CG2-CB 3.95Å; I582-Q586 HydrophobicContact CG2-CG 3.77Å; P583-Q586 HydrophobicContact CB-CB 4.25Å; P583-Q586 WeakPolarHBondContact O-CB 3.43Å; P583-Q586 PolarHBondContact O-N 2.69Å; V584-Q586 VanDerWaalsContact C-N 3.25Å; V584-Q586 PolarHBondContact O-N 3.26Å; Q586-K589 PolarHBondContact O-N 3.29Å; Q586-E590 PolarHBondContact NE2-OE1 3.12Å; Q586-E590 WeakPolarHBondContact O-CG 3.05Å; Q586-E590 PolarHBondContact O-N 2.89Å
587I88.6Confident81.4Confident0 Ų074.7 Ų74.70%036%0.36CS..Hα-helixtrans-66.9-45.3174.4-59.4175.4000110.6I582 P583 V584 K589 E590 L591 L649 L652 A653I582-I587 HydrophobicContact CB-CD1 4.24Å; I582-I587 HydrophobicContact CB-CG1 4.13Å; I582-I587 HydrophobicContact CG2-CD1 4.48Å; I582-I587 HydrophobicContact CG2-CG1 3.84Å; P583-I587 PolarHBondContact O-N 2.71Å; P583-I587 VanDerWaalsContact O-N 3.15Å; V584-I587 PolarHBondContact O-N 3.37Å; V584-I587 VanDerWaalsContact O-N 3.14Å; I587-K589 VanDerWaalsContact C-N 3.33Å; I587-K589 PolarHBondContact O-N 3.46Å; I587-E590 PolarHBondContact O-N 3.29Å; I587-L591 HydrophobicContact CG2-CD1 4.09Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.31Å; I587-L649 HydrophobicContact CG2-CB 4.05Å; I587-L649 HydrophobicContact CG2-CD2 4.21Å; I587-L652 HydrophobicContact CD1-CD2 4.39Å; I587-L652 HydrophobicContact CD1-CG 4.38Å; I587-A653 HydrophobicContact CD1-CB 4.13Å; I587-A653 HydrophobicContact CG2-CB 4.23Å
588E86.6Confident83.6Confident56 Ų5670.3 Ų70.326%0.26234%0.344SS..Hα-helixtrans-58.3-45.3175.4-72.4-178.9156.200111.4V584 L591 D592V584-E588 HydrophobicContact CG1-CG 4.41Å; V584-E588 WeakPolarHBondContact O-CG 3.35Å; V584-E588 PolarHBondContact O-N 3Å; E588-L591 PolarHBondContact O-N 3.27Å; E588-D592 PolarHBondContact O-N 2.81Å
589K92.6Very high85.9Confident117 Ų11766.6 Ų66.651%0.50933%0.329SS..Hα-helixtrans-62.4-45.9175.8-172.8-163.1166.5-161.10112.5E585 Q586 I587 L591 D592 D593E585-K589 VanDerWaalsContact O-CB 3.29Å; E585-K589 WeakPolarHBondContact O-CB 3.3Å; E585-K589 PolarHBondContact O-N 2.98Å; E585-K589 VanDerWaalsContact O-N 3.12Å; Q586-K589 PolarHBondContact O-N 3.29Å; I587-K589 VanDerWaalsContact C-N 3.33Å; I587-K589 PolarHBondContact O-N 3.46Å; K589-L591 VanDerWaalsContact C-N 3.25Å; K589-L591 PolarHBondContact O-N 3.34Å; K589-D592 PolarHBondContact O-N 3.23Å; K589-D593 WeakPolarHBondContact CE-OD2 3.29Å; K589-D593 WeakPolarHBondContact O-CB 3.35Å; K589-D593 PolarHBondContact O-N 2.93Å
590E93.1Very high88.1Confident56 Ų5662.4 Ų62.426%0.26231%0.311SS..Hα-helixtrans-62.1-34.6177.7-78.1-178.5-136.600111.8Q586 I587 I594 L649Q586-E590 PolarHBondContact NE2-OE1 3.12Å; Q586-E590 WeakPolarHBondContact O-CG 3.05Å; Q586-E590 PolarHBondContact O-N 2.89Å; I587-E590 PolarHBondContact O-N 3.29Å; E590-I594 WeakPolarHBondContact O-CB 3.4Å; E590-I594 VanDerWaalsContact O-CD1 3.25Å; E590-I594 WeakPolarHBondContact O-CD1 3.5Å; E590-I594 WeakPolarHBondContact O-CG1 3.39Å; E590-I594 PolarHBondContact O-N 3.29Å; E590-L649 HydrophobicContact CB-CD1 3.63Å; E590-L649 HydrophobicContact CB-CD2 4.47Å
591L89.1Confident89.5Confident4 Ų454.9 Ų54.92%0.02128%0.276CS..Hα-helixtrans-67.5-43173.9-71.8169.4000112.8I369 I587 E588 K589 I594 E595 E646 L649 V650I369-L591 HydrophobicContact CD1-CD1 3.94Å; I369-L591 HydrophobicContact CG1-CD1 4.31Å; I587-L591 HydrophobicContact CG2-CD1 4.09Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.31Å; E588-L591 PolarHBondContact O-N 3.27Å; K589-L591 VanDerWaalsContact C-N 3.25Å; K589-L591 PolarHBondContact O-N 3.34Å; L591-I594 PolarHBondContact O-N 2.95Å; L591-E595 PolarHBondContact O-N 3.3Å; L591-E646 HydrophobicContact CD2-CB 4.39Å; L591-E646 HydrophobicContact CD2-CG 4.43Å; L591-L649 HydrophobicContact CD2-CB 3.88Å; L591-L649 HydrophobicContact CD2-CD1 4.15Å; L591-L649 HydrophobicContact CG-CB 4.17Å; L591-L649 HydrophobicContact CG-CD1 4.28Å; L591-V650 HydrophobicContact CD1-CG2 4.07Å; L591-V650 HydrophobicContact CD2-CG2 4.01Å
592D88.2Confident90Very high53 Ų5352.4 Ų52.428%0.28327%0.265SS..Hα-helixtrans-65.3-40.4174.3-89.5-8.9000111.8A372 E588 K589 I594 E595 M596A372-D592 VanDerWaalsContact CB-OD2 3.29Å; A372-D592 WeakPolarHBondContact CB-OD2 3.49Å; A372-D592 PolarHBondContact N-OD2 3.21Å; E588-D592 PolarHBondContact O-N 2.81Å; K589-D592 PolarHBondContact O-N 3.23Å; D592-I594 VanDerWaalsContact C-N 3.31Å; D592-I594 PolarHBondContact O-N 3.48Å; D592-E595 PolarHBondContact O-N 3.36Å; D592-M596 PolarHBondContact O-N 2.83Å
593D93.4Very high90.3Very high63 Ų6357.3 Ų57.334%0.33728%0.28SS..Hα-helixtrans-61.8-38.8173.3-83.4-34.2000110.9K589 N597K589-D593 WeakPolarHBondContact CE-OD2 3.29Å; K589-D593 WeakPolarHBondContact O-CB 3.35Å; K589-D593 PolarHBondContact O-N 2.93Å; D593-N597 PolarHBondContact O-N 2.94Å; D593-N597 VanDerWaalsContact O-N 3.15Å; D593-N597 PolarHBondContact O-ND2 2.87Å
594I91.2Very high90.5Very high10 Ų1057.3 Ų57.35%0.05127%0.273CS..Hα-helixtrans-68.4-43.6175.4-71.2162.7000111.8E590 L591 D592 M596 N597 L598 Y642 K645 E646 L649E590-I594 WeakPolarHBondContact O-CB 3.4Å; E590-I594 VanDerWaalsContact O-CD1 3.25Å; E590-I594 WeakPolarHBondContact O-CD1 3.5Å; E590-I594 WeakPolarHBondContact O-CG1 3.39Å; E590-I594 PolarHBondContact O-N 3.29Å; L591-I594 PolarHBondContact O-N 2.95Å; D592-I594 VanDerWaalsContact C-N 3.31Å; D592-I594 PolarHBondContact O-N 3.48Å; I594-M596 VanDerWaalsContact C-N 3.33Å; I594-M596 PolarHBondContact O-N 3.25Å; I594-N597 PolarHBondContact O-N 3.45Å; I594-L598 HydrophobicContact CG2-CD1 3.88Å; I594-L598 HydrophobicContact CG2-CG 4.22Å; I594-L598 WeakPolarHBondContact O-CG 3.48Å; I594-L598 PolarHBondContact O-N 3.49Å; I594-Y642 HydrophobicContact CB-CD1 4.49Å; I594-Y642 HydrophobicContact CG1-CD1 4.04Å; I594-Y642 HydrophobicContact CG2-CD1 4.2Å; I594-K645 HydrophobicContact CD1-CB 4.01Å; I594-K645 HydrophobicContact CD1-CG 3.57Å; I594-E646 HydrophobicContact CG2-CB 4.08Å; I594-L649 HydrophobicContact CD1-CD1 3.49Å; I594-L649 VanDerWaalsContact CD1-CD1 3.49Å
595E88.4Confident90.6Very high27 Ų2755.1 Ų55.113%0.12626%0.26CS..Hα-helixtrans-54.8-49.4175.5-179.367.5-137.500110.9R207 L591 D592 N597 L598 V599R207-E595 IonicContact CZ-OE1 3.28Å; R207-E595 IonicContact CZ-OE2 3.65Å; R207-E595 IonicContact NH1-OE1 3.76Å; R207-E595 PolarHBondContact NH1-OE1 2.93Å; R207-E595 IonicContact NH1-OE2 3.12Å; R207-E595 PolarHBondContact NH1-OE2 3.43Å; R207-E595 IonicContact NH2-OE2 2.7Å; R207-E595 PolarHBondContact NH2-OE2 2.86Å; L591-E595 PolarHBondContact O-N 3.3Å; D592-E595 PolarHBondContact O-N 3.36Å; E595-N597 VanDerWaalsContact C-N 3.35Å; E595-N597 PolarHBondContact O-N 2.88Å; E595-L598 PolarHBondContact O-N 3.33Å; E595-V599 WeakPolarHBondContact O-CG2 3.29Å; E595-V599 PolarHBondContact O-N 3.45Å
596M91.2Very high90.6Very high120 Ų12049.8 Ų49.859%0.59124%0.237SC*.Hα-helixtrans-60.6-41.6177.7-179.8169.656.700112.3D592 I594 Q600D592-M596 PolarHBondContact O-N 2.83Å; I594-M596 VanDerWaalsContact C-N 3.33Å; I594-M596 PolarHBondContact O-N 3.25Å; M596-Q600 PolarHBondContact O-N 2.97Å; M596-Q600 VanDerWaalsContact O-N 3.09Å
597N93.3Very high90.4Very high58 Ų5850.4 Ų50.431%0.3124%0.24SC..Hα-helixtrans-66-40175.1-83.8-81.8000112.5D593 I594 E595 Q600 L601 Y642D593-N597 PolarHBondContact O-N 2.94Å; D593-N597 VanDerWaalsContact O-N 3.15Å; D593-N597 PolarHBondContact O-ND2 2.87Å; I594-N597 PolarHBondContact O-N 3.45Å; E595-N597 VanDerWaalsContact C-N 3.35Å; E595-N597 PolarHBondContact O-N 2.88Å; N597-Q600 PolarHBondContact O-N 3.47Å; N597-L601 WeakPolarHBondContact O-CG 3.48Å; N597-L601 PolarHBondContact O-N 3.19Å; N597-Y642 HydrophobicContact CB-CD1 4.26Å; N597-Y642 HydrophobicContact CB-CD2 4.18Å; N597-Y642 HydrophobicContact CB-CE1 3.86Å; N597-Y642 HydrophobicContact CB-CE2 3.79Å; N597-Y642 HydrophobicContact CB-CG 4.41Å; N597-Y642 PolarHBondContact OD1-OH 3.07Å; N597-Y642 VanDerWaalsContact OD1-OH 3.11Å
598L88.3Confident90.4Very high0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-64.3-42.7176.5-73.9173.3000111.9I594 E595 Q600 L601 E602 K639 I643I594-L598 HydrophobicContact CG2-CD1 3.88Å; I594-L598 HydrophobicContact CG2-CG 4.22Å; I594-L598 WeakPolarHBondContact O-CG 3.48Å; I594-L598 PolarHBondContact O-N 3.49Å; E595-L598 PolarHBondContact O-N 3.33Å; L598-Q600 VanDerWaalsContact C-N 3.33Å; L598-Q600 PolarHBondContact O-N 2.97Å; L598-L601 PolarHBondContact O-N 3.16Å; L598-E602 WeakPolarHBondContact O-CB 3.5Å; L598-E602 WeakPolarHBondContact O-CG 3.27Å; L598-E602 PolarHBondContact O-N 3.45Å; L598-K639 HydrophobicContact CD2-CD 4.5Å; L598-K639 HydrophobicContact CD2-CG 3.53Å; L598-I643 HydrophobicContact CD1-CG1 4.4Å; L598-I643 HydrophobicContact CD2-CG1 3.97Å
599V88.9Confident90.4Very high55 Ų5549 Ų4933%0.33323%0.233SC..Hα-helixtrans-62.6-38.9175.3170.10000111.5E595 E602 R603E595-V599 WeakPolarHBondContact O-CG2 3.29Å; E595-V599 PolarHBondContact O-N 3.45Å; V599-E602 PolarHBondContact O-N 3.09Å; V599-R603 PolarHBondContact O-N 2.7Å; V599-R603 VanDerWaalsContact O-N 3.07Å
600Q92.4Very high90.1Very high79 Ų7948 Ų4837%0.36923%0.229SC..Hα-helixtrans-69.4-42176.6178.756.218.700112.4M596 N597 L598 E602 R603 E604M596-Q600 PolarHBondContact O-N 2.97Å; M596-Q600 VanDerWaalsContact O-N 3.09Å; N597-Q600 PolarHBondContact O-N 3.47Å; L598-Q600 VanDerWaalsContact C-N 3.33Å; L598-Q600 PolarHBondContact O-N 2.97Å; Q600-E602 VanDerWaalsContact C-N 3.34Å; Q600-E602 PolarHBondContact O-N 3.12Å; Q600-R603 WeakPolarHBondContact O-CB 3.35Å; Q600-R603 PolarHBondContact O-N 3.49Å; Q600-R603 VanDerWaalsContact O-N 3.16Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.44Å; Q600-E604 PolarHBondContact NE2-OE1 3.26Å; Q600-E604 PolarHBondContact O-N 3.08Å
601L91.7Very high89.8Confident9 Ų948.5 Ų48.55%0.04723%0.231CC..Hα-helixtrans-66.1-34.7174.2-69169000112.4N597 L598 R603 G605 L635 K638 K639 Y642N597-L601 WeakPolarHBondContact O-CG 3.48Å; N597-L601 PolarHBondContact O-N 3.19Å; L598-L601 PolarHBondContact O-N 3.16Å; L601-R603 VanDerWaalsContact C-N 3.32Å; L601-G605 PolarHBondContact O-N 2.88Å; L601-L635 HydrophobicContact CD2-CD1 4.36Å; L601-L635 HydrophobicContact CD2-CG 4.12Å; L601-K638 HydrophobicContact CD1-CB 3.73Å; L601-K638 HydrophobicContact CD2-CB 3.95Å; L601-K638 HydrophobicContact CD2-CD 3.74Å; L601-K639 HydrophobicContact CD1-CB 4.4Å; L601-Y642 HydrophobicContact CD1-CD2 3.48Å; L601-Y642 VanDerWaalsContact CD1-CD2 3.48Å; L601-Y642 HydrophobicContact CD1-CE2 3.76Å
602E90.1Very high89.5Confident7 Ų748.3 Ų48.33%0.03323%0.231CC..Hα-helixtrans-62.9-39.1171.1-80.5-174.4-166.200111.7V195 Q196 L598 V599 Q600 V606 K639V195-E602 HydrophobicContact CG2-CG 4.49Å; Q196-E602 HydrophobicContact CG-CB 4.17Å; Q196-E602 HydrophobicContact CG-CG 4.24Å; L598-E602 WeakPolarHBondContact O-CB 3.5Å; L598-E602 WeakPolarHBondContact O-CG 3.27Å; L598-E602 PolarHBondContact O-N 3.45Å; V599-E602 PolarHBondContact O-N 3.09Å; Q600-E602 VanDerWaalsContact C-N 3.34Å; Q600-E602 PolarHBondContact O-N 3.12Å; E602-V606 WeakPolarHBondContact O-CB 3.14Å; E602-V606 WeakPolarHBondContact O-CG2 3.26Å; E602-V606 PolarHBondContact O-N 2.68Å; E602-K639 WeakPolarHBondContact OE1-CE 3.22Å; E602-K639 IonicContact OE1-NZ 3.57Å; E602-K639 PolarHBondContact OE1-NZ 3Å
603R91.4Very high89.2Confident161 Ų16147.3 Ų47.361%0.60822%0.223SC*.Hα-helixtrans-65.4-49.3174.7-172.5-164.4-55.2-79.8-3.2112.3V599 Q600 L601 G605 V606 E607V599-R603 PolarHBondContact O-N 2.7Å; V599-R603 VanDerWaalsContact O-N 3.07Å; Q600-R603 WeakPolarHBondContact O-CB 3.35Å; Q600-R603 PolarHBondContact O-N 3.49Å; Q600-R603 VanDerWaalsContact O-N 3.16Å; L601-R603 VanDerWaalsContact C-N 3.32Å; R603-G605 VanDerWaalsContact C-N 3.32Å; R603-G605 PolarHBondContact O-N 3.47Å; R603-V606 PolarHBondContact O-N 3.28Å; R603-E607 PolarHBondContact O-N 3.06Å
604E93.3Very high88.6Confident76 Ų7646.3 Ų46.336%0.35522%0.221SC..Hα-helixtrans-61.2-41.6177.5-75.1170.8-159.800111.4Q600 E607 L608 L635Q600-E604 WeakPolarHBondContact CG-OE1 3.44Å; Q600-E604 PolarHBondContact NE2-OE1 3.26Å; Q600-E604 PolarHBondContact O-N 3.08Å; E604-E607 PolarHBondContact O-N 2.74Å; E604-L608 PolarHBondContact O-N 3.14Å; E604-L635 HydrophobicContact CB-CD1 3.43Å; E604-L635 VanDerWaalsContact CB-CD1 3.43Å
605G88.7Confident87.8Confident0 Ų049.5 Ų49.50%023%0.233CC..Hα-helixtrans-68.4-37.2178.500000112.9L601 R603 E607 L608 E609 W632 L635L601-G605 PolarHBondContact O-N 2.88Å; R603-G605 VanDerWaalsContact C-N 3.32Å; R603-G605 PolarHBondContact O-N 3.47Å; G605-E607 PolarHBondContact O-N 2.83Å; G605-L608 PolarHBondContact O-N 3.44Å; G605-E609 WeakPolarHBondContact O-CB 3.2Å; G605-E609 PolarHBondContact O-N 3.4Å; G605-W632 WeakPolarHBondContact O-CZ3 3.46Å; G605-L635 VanDerWaalsContact N-CD1 3.31Å
606V88.2Confident86.8Confident21 Ų2151.3 Ų51.313%0.12724%0.241CC..Hα-helixtrans-57.9-38.4172.1163.60000111H193 V195 Q196 E602 R603 K610H193-V606 HydrophobicContact CB-CG2 3.77Å; V195-V606 HydrophobicContact CG1-CG2 4.13Å; Q196-V606 VanDerWaalsContact CD-CG2 3.41Å; Q196-V606 HydrophobicContact CG-CG2 3.78Å; E602-V606 WeakPolarHBondContact O-CB 3.14Å; E602-V606 WeakPolarHBondContact O-CG2 3.26Å; E602-V606 PolarHBondContact O-N 2.68Å; R603-V606 PolarHBondContact O-N 3.28Å; V606-K610 WeakPolarHBondContact O-CG 3.31Å; V606-K610 PolarHBondContact O-N 2.91Å; V606-K610 VanDerWaalsContact O-N 3.16Å
607E90.5Very high85.5Confident87 Ų8751.9 Ų51.941%0.40724%0.242SC..Hα-helixtrans-75.7-42.8179.4-159.259-149.200112.5R603 E604 G605 E609 K610 Q611R603-E607 PolarHBondContact O-N 3.06Å; E604-E607 PolarHBondContact O-N 2.74Å; G605-E607 PolarHBondContact O-N 2.83Å; E607-E609 VanDerWaalsContact C-N 3.27Å; E607-E609 PolarHBondContact O-N 3.01Å; E607-K610 PolarHBondContact O-N 3.3Å; E607-K610 IonicContact OE2-NZ 3.61Å; E607-K610 PolarHBondContact OE2-NZ 3.19Å; E607-Q611 WeakPolarHBondContact O-CG 3.43Å; E607-Q611 PolarHBondContact O-N 3.45Å
608L87.6Confident84Confident25 Ų2555.1 Ų55.113%0.13126%0.256CS..Hα-helixtrans-59-38.2171.3-72.7179.1000112E604 G605 Q611 L612 L628 D631 W632 L635E604-L608 PolarHBondContact O-N 3.14Å; G605-L608 PolarHBondContact O-N 3.44Å; L608-Q611 PolarHBondContact O-N 2.9Å; L608-L612 WeakPolarHBondContact O-CB 3.23Å; L608-L612 WeakPolarHBondContact O-CD1 3.08Å; L608-L612 VanDerWaalsContact O-CG 3.26Å; L608-L612 WeakPolarHBondContact O-CG 3.45Å; L608-L612 PolarHBondContact O-N 2.71Å; L608-L628 HydrophobicContact CD2-CD2 4.12Å; L608-D631 HydrophobicContact CD1-CB 4.25Å; L608-D631 HydrophobicContact CD2-CB 4.46Å; L608-W632 HydrophobicContact CB-CE3 4.15Å; L608-L635 HydrophobicContact CD1-CB 4.34Å; L608-L635 HydrophobicContact CD1-CD1 4.07Å
609E87.6Confident82.6Confident0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-65.5-41.4177-156.7-162.8119.800111.6L93 H193 L194 G605 E607 R613 W632L93-E609 HydrophobicContact CD2-CB 4.48Å; L93-E609 HydrophobicContact CD2-CG 3.54Å; H193-E609 WeakPolarHBondContact CA-OE2 3.47Å; H193-E609 VanDerWaalsContact CB-OE2 3.23Å; H193-E609 WeakPolarHBondContact CB-OE2 3.16Å; H193-E609 IonicContact CG-OE2 2.63Å; H193-E609 IonicContact ND1-OE1 2.9Å; H193-E609 PolarHBondContact ND1-OE1 3.33Å; H193-E609 IonicContact ND1-OE2 2.58Å; H193-E609 PolarHBondContact ND1-OE2 3.12Å; L194-E609 WeakPolarHBondContact CB-OE2 3.49Å; L194-E609 PolarHBondContact N-OE2 2.89Å; G605-E609 WeakPolarHBondContact O-CB 3.2Å; G605-E609 PolarHBondContact O-N 3.4Å; E607-E609 VanDerWaalsContact C-N 3.27Å; E607-E609 PolarHBondContact O-N 3.01Å; E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 WeakPolarHBondContact O-CG 3.5Å; E609-R613 PolarHBondContact O-N 3.11Å; E609-R613 IonicContact OE1-CZ 3.38Å; E609-R613 VanDerWaalsContact OE1-CZ 3.31Å; E609-R613 IonicContact OE1-NE 3.71Å; E609-R613 PolarHBondContact OE1-NE 3.47Å; E609-R613 IonicContact OE1-NH2 3.29Å; E609-R613 PolarHBondContact OE1-NH2 3.22Å; E609-W632 HydrophobicContact CB-CH2 4.27Å; E609-W632 HydrophobicContact CB-CZ3 4.02Å; E609-W632 HydrophobicContact CG-CH2 4.2Å; E609-W632 HydrophobicContact CG-CZ3 4.43Å
610K85.8Confident81Confident96 Ų9660.4 Ų60.442%0.41729%0.294SS..Hα-helixtrans-61.8-45.7173.3-70.3175.4-149.31580111.9V606 E607 R613 S614V606-K610 WeakPolarHBondContact O-CG 3.31Å; V606-K610 PolarHBondContact O-N 2.91Å; V606-K610 VanDerWaalsContact O-N 3.16Å; E607-K610 PolarHBondContact O-N 3.3Å; E607-K610 IonicContact OE2-NZ 3.61Å; E607-K610 PolarHBondContact OE2-NZ 3.19Å; K610-R613 CarbonylContact O-C 3.6Å; K610-R613 WeakPolarHBondContact O-CB 3.48Å; K610-R613 PolarHBondContact O-N 3.29Å; K610-R613 VanDerWaalsContact O-N 3.14Å; K610-S614 PolarHBondContact O-N 3.26Å; K610-S614 PolarHBondContact O-OG 3.11Å
611Q85.6Confident79.2Confident67 Ų6759 Ų5931%0.31330%0.3SS..Hα-helixtrans-62.9-45179.8-70.7172.7-0.800111.3E607 L608 R613 S614 Y615 L628E607-Q611 WeakPolarHBondContact O-CG 3.43Å; E607-Q611 PolarHBondContact O-N 3.45Å; L608-Q611 PolarHBondContact O-N 2.9Å; Q611-R613 PolarHBondContact O-N 2.73Å; Q611-S614 PolarHBondContact O-N 2.87Å; Q611-S614 PolarHBondContact O-OG 3.07Å; Q611-S614 VanDerWaalsContact O-OG 3.09Å; Q611-Y615 WeakPolarHBondContact O-CD2 3.29Å; Q611-Y615 PolarHBondContact O-N 3.31Å; Q611-L628 HydrophobicContact CB-CD1 4.35Å
612L83.1Confident77.8Confident1 Ų159.5 Ų59.51%0.00530%0.303CS..Hα-helixtrans-60.9-31.5174.7-73.7166.3000112.3L93 L608 E616 M625 L628 M629 W632L93-L612 HydrophobicContact CD1-CD1 3.88Å; L93-L612 HydrophobicContact CD2-CB 3.92Å; L93-L612 HydrophobicContact CD2-CD1 4.04Å; L608-L612 WeakPolarHBondContact O-CB 3.23Å; L608-L612 WeakPolarHBondContact O-CD1 3.08Å; L608-L612 VanDerWaalsContact O-CG 3.26Å; L608-L612 WeakPolarHBondContact O-CG 3.45Å; L608-L612 PolarHBondContact O-N 2.71Å; L612-E616 PolarHBondContact O-N 3.13Å; L612-M625 HydrophobicContact CB-CE 4.29Å; L612-M625 HydrophobicContact CD2-CE 4.04Å; L612-M625 HydrophobicContact CD2-CG 3.6Å; L612-M625 WeakPolarHBondContact O-CE 3.28Å; L612-L628 HydrophobicContact CD2-CB 3.59Å; L612-L628 HydrophobicContact CG-CB 4.13Å; L612-M629 HydrophobicContact CD1-SD 4Å; L612-M629 HydrophobicContact CD2-CG 3.95Å; L612-M629 HydrophobicContact CD2-SD 3.85Å; L612-W632 HydrophobicContact CD1-CB 3.97Å; L612-W632 HydrophobicContact CD1-CD2 4.28Å; L612-W632 HydrophobicContact CD1-CG 4.06Å
613R83.4Confident76.6Confident31 Ų3165.7 Ų65.712%0.11734%0.335CS..Hα-helixtrans-75.1-44.1173.8-70.9173.6-175.4-56.8-10.5112.9D91 E609 K610 Q611 E616 E617D91-R613 IonicContact OD1-CZ 2.83Å; D91-R613 IonicContact OD1-NH1 3.31Å; D91-R613 PolarHBondContact OD1-NH1 3.47Å; D91-R613 IonicContact OD1-NH2 3.2Å; D91-R613 PolarHBondContact OD1-NH2 2.94Å; D91-R613 IonicContact OD2-CZ 3.49Å; D91-R613 IonicContact OD2-NH1 3.52Å; D91-R613 IonicContact OD2-NH2 2.94Å; D91-R613 PolarHBondContact OD2-NH2 3.19Å; E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 WeakPolarHBondContact O-CG 3.5Å; E609-R613 PolarHBondContact O-N 3.11Å; E609-R613 IonicContact OE1-CZ 3.38Å; E609-R613 VanDerWaalsContact OE1-CZ 3.31Å; E609-R613 IonicContact OE1-NE 3.71Å; E609-R613 PolarHBondContact OE1-NE 3.47Å; E609-R613 IonicContact OE1-NH2 3.29Å; E609-R613 PolarHBondContact OE1-NH2 3.22Å; K610-R613 CarbonylContact O-C 3.6Å; K610-R613 WeakPolarHBondContact O-CB 3.48Å; K610-R613 PolarHBondContact O-N 3.29Å; K610-R613 VanDerWaalsContact O-N 3.14Å; Q611-R613 PolarHBondContact O-N 2.73Å; R613-E616 WeakPolarHBondContact O-CB 3.47Å; R613-E616 PolarHBondContact O-N 3.14Å; R613-E616 VanDerWaalsContact O-N 3.16Å; R613-E617 PolarHBondContact O-N 2.97Å; R613-E617 VanDerWaalsContact O-N 3.08Å
614S80Confident75.4Confident43 Ų4362 Ų6230%0.30133%0.326SS..Hα-helixtrans-65.4-42.2179.862.50000112.1K610 Q611 E616 E617 E618K610-S614 PolarHBondContact O-N 3.26Å; K610-S614 PolarHBondContact O-OG 3.11Å; Q611-S614 PolarHBondContact O-N 2.87Å; Q611-S614 PolarHBondContact O-OG 3.07Å; Q611-S614 VanDerWaalsContact O-OG 3.09Å; S614-E616 PolarHBondContact O-N 3.48Å; S614-E617 PolarHBondContact O-N 3.29Å; S614-E617 VanDerWaalsContact O-N 3.14Å; S614-E618 WeakPolarHBondContact O-CB 3.5Å; S614-E618 WeakPolarHBondContact O-CG 3.26Å; S614-E618 PolarHBondContact O-N 3.19Å
615Y73.5Confident74.4Confident77 Ų7758.5 Ų58.530%0.30231%0.31SS..Hα-helixtrans-66.9-21.4174.8-72.3-60.5000113.6Q611 L628Q611-Y615 WeakPolarHBondContact O-CD2 3.29Å; Q611-Y615 PolarHBondContact O-N 3.31Å; Y615-L628 HydrophobicContact CD2-CD1 3.45Å; Y615-L628 VanDerWaalsContact CD2-CD1 3.45Å; Y615-L628 HydrophobicContact CE2-CD1 3.55Å
616E67.6Low73.7Confident65 Ų6560.2 Ų60.230%0.30432%0.319SS..Hα-helixtrans-75.1-41169.5180169.4-175.100112R92 L612 R613 S614R92-E616 VanDerWaalsContact CB-OE1 3.25Å; R92-E616 WeakPolarHBondContact CB-OE1 3.11Å; R92-E616 WeakPolarHBondContact CB-OE2 3.47Å; R92-E616 WeakPolarHBondContact CD-OE1 3.42Å; L612-E616 PolarHBondContact O-N 3.13Å; R613-E616 WeakPolarHBondContact O-CB 3.47Å; R613-E616 PolarHBondContact O-N 3.14Å; R613-E616 VanDerWaalsContact O-N 3.16Å; S614-E616 PolarHBondContact O-N 3.48Å
617E65.1Low73.3Confident131 Ų13162 Ų6261%0.61233%0.331SS*.Hα-helixtrans-73.2-32.9180-68.818018000112.9T178 R613 S614 G619T178-E617 PolarHBondContact OG1-OE1 2.85Å; R613-E617 PolarHBondContact O-N 2.97Å; R613-E617 VanDerWaalsContact O-N 3.08Å; S614-E617 PolarHBondContact O-N 3.29Å; S614-E617 VanDerWaalsContact O-N 3.14Å; E617-G619 VanDerWaalsContact C-N 3.3Å; E617-G619 PolarHBondContact O-N 3.32Å
618E62.3Low73Confident126 Ų12659.1 Ų59.159%0.58932%0.318SS*.SBendtrans-74.9-15.6177-72.4173.6-176.300113.7S614 E620S614-E618 WeakPolarHBondContact O-CB 3.5Å; S614-E618 WeakPolarHBondContact O-CG 3.26Å; S614-E618 PolarHBondContact O-N 3.19Å; E618-E620 PolarHBondContact O-N 2.94Å
619G58.3Low72.6Confident62 Ų6258.4 Ų58.464%0.63932%0.315SS*.  trans71.96.117900000115.1E617 G621E617-G619 VanDerWaalsContact C-N 3.3Å; E617-G619 PolarHBondContact O-N 3.32Å; G619-G621 PolarHBondContact O-N 3.03Å; G619-G621 VanDerWaalsContact O-N 3.14Å
620E54.2Low72.1Confident105 Ų10560.9 Ų60.949%0.49133%0.33SS..  trans-62.2114.8170.5-67.9-144.1128.700109.6E618 L624E618-E620 PolarHBondContact O-N 2.94Å; E620-L624 HydrophobicContact CB-CD1 4.34Å; E620-L624 WeakPolarHBondContact OE2-CD1 3.41Å
621G54.9Low72Confident48 Ų4860.2 Ų60.250%0.49533%0.33SS..  trans-60.8159.3-163.400000114.8G619 I623 L624G619-G621 PolarHBondContact O-N 3.03Å; G619-G621 VanDerWaalsContact O-N 3.14Å; G621-I623 PolarHBondContact O-N 3.28Å; G621-L624 PolarHBondContact O-N 3.32Å
622D63.3Low72Confident21 Ų2157.1 Ų57.111%0.11232%0.316CS..THydrogen-bonded Turntrans-47.4-10.1-168.9-43.7-74.4000117.5A2 I4 K5 R92 L624 M625 D626A2-D622 HydrophobicContact CB-CB 3.82Å; I4-D622 HydrophobicContact CB-CB 4.3Å; I4-D622 HydrophobicContact CD1-CB 4.26Å; K5-D622 WeakPolarHBondContact CE-OD2 3.45Å; K5-D622 IonicContact NZ-OD2 2.85Å; R92-D622 IonicContact CZ-OD1 3.75Å; R92-D622 IonicContact NH1-OD1 3.96Å; R92-D622 IonicContact NH2-OD1 2.7Å; R92-D622 PolarHBondContact NH2-OD1 2.75Å; D622-L624 VanDerWaalsContact C-N 3.32Å; D622-L624 PolarHBondContact O-N 3.42Å; D622-M625 PolarHBondContact O-N 2.73Å; D622-D626 WeakPolarHBondContact O-CB 3.43Å; D622-D626 PolarHBondContact O-N 2.99Å
623I65.3Low71.5Confident137 Ų13758 Ų5870%0.70332%0.32SS*.THydrogen-bonded Turntrans-61.4-35.6174.4-58.5171.3000112G621 P627G621-I623 PolarHBondContact O-N 3.28Å; I623-P627 WeakPolarHBondContact O-CD 3.42Å
624L65.5Low71.3Confident82 Ų8259.1 Ų59.143%0.42933%0.328SS..THydrogen-bonded Turntrans-87.6-27.1176.3-65.3-179.5000112.9E620 G621 D622 P627E620-L624 HydrophobicContact CB-CD1 4.34Å; E620-L624 WeakPolarHBondContact OE2-CD1 3.41Å; G621-L624 PolarHBondContact O-N 3.32Å; D622-L624 VanDerWaalsContact C-N 3.32Å; D622-L624 PolarHBondContact O-N 3.42Å; L624-P627 WeakPolarHBondContact O-CD 3.16Å
625M73.1Confident71.7Confident4 Ų457.3 Ų57.32%0.0232%0.315CS..Hα-helixtrans-71.3-34173.4-157179.6-167.200112I4 L612 D622 L628 M629I4-M625 HydrophobicContact CD1-CB 3.89Å; I4-M625 HydrophobicContact CD1-CG 3.73Å; I4-M625 HydrophobicContact CD1-SD 3.42Å; I4-M625 WeakPolarHBondContact CD1-SD 3.47Å; L612-M625 HydrophobicContact CB-CE 4.29Å; L612-M625 HydrophobicContact CD2-CE 4.04Å; L612-M625 HydrophobicContact CD2-CG 3.6Å; L612-M625 WeakPolarHBondContact O-CE 3.28Å; D622-M625 PolarHBondContact O-N 2.73Å; M625-L628 PolarHBondContact O-N 3.47Å; M625-M629 HydrophobicContact CG-CG 4.29Å; M625-M629 WeakPolarHBondContact O-CB 3.49Å; M625-M629 WeakPolarHBondContact O-CG 3.4Å; M625-M629 PolarHBondContact O-N 2.75Å
626D72.2Confident71.8Confident36 Ų3655.6 Ų55.619%0.19331%0.311CS..Hα-helixtrans-52.5-49.1178.9-97.312.5000113.9A2 A3 I4 D622 V630A2-D626 WeakPolarHBondContact CA-OD2 3.45Å; A2-D626 WeakPolarHBondContact CB-OD2 3.45Å; A3-D626 VanDerWaalsContact CB-OD1 3.27Å; A3-D626 WeakPolarHBondContact CB-OD1 3.04Å; A3-D626 PolarHBondContact N-OD1 3.14Å; A3-D626 PolarHBondContact N-OD2 3.49Å; I4-D626 PolarHBondContact N-OD1 3.27Å; D622-D626 WeakPolarHBondContact O-CB 3.43Å; D622-D626 PolarHBondContact O-N 2.99Å; D626-V630 PolarHBondContact O-N 2.9Å
627P80.8Confident72.1Confident57 Ų5755.2 Ų55.237%0.3731%0.306SS..Hα-helixtrans-58.5-50.6171.3-27.534000114.3I623 L624 M629 V630 D631I623-P627 WeakPolarHBondContact O-CD 3.42Å; L624-P627 WeakPolarHBondContact O-CD 3.16Å; P627-M629 VanDerWaalsContact C-N 3.26Å; P627-M629 PolarHBondContact O-N 3.49Å; P627-V630 WeakPolarHBondContact O-CA 3.32Å; P627-V630 WeakPolarHBondContact O-CB 3.37Å; P627-V630 PolarHBondContact O-N 2.99Å; P627-D631 PolarHBondContact O-N 3.24Å; P627-D631 VanDerWaalsContact O-N 3.14Å
628L83.2Confident72.9Confident27 Ų2754.3 Ų54.314%0.14130%0.3CS..Hα-helixtrans-64-32.5-177.4-66.9169.3000111.9L608 Q611 L612 Y615 M625 V630 D631 W632L608-L628 HydrophobicContact CD2-CD2 4.12Å; Q611-L628 HydrophobicContact CB-CD1 4.35Å; L612-L628 HydrophobicContact CD2-CB 3.59Å; L612-L628 HydrophobicContact CG-CB 4.13Å; Y615-L628 HydrophobicContact CD2-CD1 3.45Å; Y615-L628 VanDerWaalsContact CD2-CD1 3.45Å; Y615-L628 HydrophobicContact CE2-CD1 3.55Å; M625-L628 PolarHBondContact O-N 3.47Å; L628-V630 VanDerWaalsContact C-N 3.34Å; L628-D631 PolarHBondContact O-N 3.28Å; L628-W632 WeakPolarHBondContact O-CB 3.09Å; L628-W632 PolarHBondContact O-N 3.07Å
629M79.5Confident73.8Confident11 Ų1149 Ų495%0.05428%0.275CS..Hα-helixtrans-64.1-35.2170.7-74.7-62.1-57.800112.6I4 L93 L96 L612 M625 P627 F633I4-M629 HydrophobicContact CD1-CG 4.27Å; L93-M629 HydrophobicContact CD1-CE 4.17Å; L93-M629 HydrophobicContact CD1-SD 3.58Å; L93-M629 VanDerWaalsContact CD1-SD 3.58Å; L96-M629 HydrophobicContact CB-CE 4.46Å; L612-M629 HydrophobicContact CD1-SD 4Å; L612-M629 HydrophobicContact CD2-CG 3.95Å; L612-M629 HydrophobicContact CD2-SD 3.85Å; M625-M629 HydrophobicContact CG-CG 4.29Å; M625-M629 WeakPolarHBondContact O-CB 3.49Å; M625-M629 WeakPolarHBondContact O-CG 3.4Å; M625-M629 PolarHBondContact O-N 2.75Å; P627-M629 VanDerWaalsContact C-N 3.26Å; P627-M629 PolarHBondContact O-N 3.49Å; M629-F633 HydrophobicContact CB-CE2 4.32Å; M629-F633 HydrophobicContact CE-CE1 4.2Å; M629-F633 HydrophobicContact CE-CE2 3.69Å; M629-F633 HydrophobicContact CE-CZ 3.46Å; M629-F633 VanDerWaalsContact CE-CZ 3.46Å; M629-F633 WeakPolarHBondContact O-CD2 3.27Å; M629-F633 VanDerWaalsContact O-CG 3.32Å; M629-F633 WeakPolarHBondContact O-CG 3.43Å; M629-F633 PolarHBondContact O-N 3.3Å
630V78.3Confident74.6Confident52 Ų5249.8 Ų49.832%0.31526%0.262SS..Hα-helixtrans-66.8-41.8174.1171.60000110.7D626 P627 L628 F633 N634 L730D626-V630 PolarHBondContact O-N 2.9Å; P627-V630 WeakPolarHBondContact O-CA 3.32Å; P627-V630 WeakPolarHBondContact O-CB 3.37Å; P627-V630 PolarHBondContact O-N 2.99Å; L628-V630 VanDerWaalsContact C-N 3.34Å; V630-F633 PolarHBondContact O-N 3.21Å; V630-N634 WeakPolarHBondContact O-CB 3.25Å; V630-N634 PolarHBondContact O-N 2.85Å; V630-N634 PolarHBondContact O-ND2 3.47Å; V630-N634 VanDerWaalsContact O-ND2 3.14Å; V630-L730 HydrophobicContact CG2-CD1 4.27Å
631D83.9Confident75.8Confident81 Ų8149.5 Ų49.543%0.43326%0.262SS..Hα-helixtrans-69.4-36177.6-66-35.3000112.2L608 P627 L628 N634 L635L608-D631 HydrophobicContact CD1-CB 4.25Å; L608-D631 HydrophobicContact CD2-CB 4.46Å; P627-D631 PolarHBondContact O-N 3.24Å; P627-D631 VanDerWaalsContact O-N 3.14Å; L628-D631 PolarHBondContact O-N 3.28Å; D631-N634 PolarHBondContact O-N 2.67Å; D631-L635 WeakPolarHBondContact O-CB 3.49Å; D631-L635 PolarHBondContact O-N 3.35Å
632W83.9Confident77.2Confident2 Ų250.8 Ų50.81%0.00825%0.253CS..Hα-helixtrans-58.5-50.2168.5176-109.9000112T97 L194 V195 G605 L608 E609 L612 L628 N634 L635 I636T97-W632 PolarHBondContact OG1-NE1 3.48Å; T97-W632 VanDerWaalsContact OG1-NE1 3.16Å; L194-W632 HydrophobicContact CB-CH2 3.83Å; L194-W632 HydrophobicContact CB-CZ2 3.94Å; L194-W632 HydrophobicContact CD2-CH2 4.47Å; L194-W632 HydrophobicContact CD2-CZ2 3.92Å; V195-W632 HydrophobicContact CB-CH2 4.21Å; V195-W632 HydrophobicContact CB-CZ3 4.31Å; G605-W632 WeakPolarHBondContact O-CZ3 3.46Å; L608-W632 HydrophobicContact CB-CE3 4.15Å; E609-W632 HydrophobicContact CB-CH2 4.27Å; E609-W632 HydrophobicContact CB-CZ3 4.02Å; E609-W632 HydrophobicContact CG-CH2 4.2Å; E609-W632 HydrophobicContact CG-CZ3 4.43Å; L612-W632 HydrophobicContact CD1-CB 3.97Å; L612-W632 HydrophobicContact CD1-CD2 4.28Å; L612-W632 HydrophobicContact CD1-CG 4.06Å; L628-W632 WeakPolarHBondContact O-CB 3.09Å; L628-W632 PolarHBondContact O-N 3.07Å; W632-N634 VanDerWaalsContact C-N 3.34Å; W632-N634 PolarHBondContact O-N 2.72Å; W632-L635 PolarHBondContact O-N 2.85Å; W632-I636 HydrophobicContact CD2-CG1 4.4Å; W632-I636 HydrophobicContact CH2-CD1 4.49Å; W632-I636 HydrophobicContact CZ2-CD1 4.29Å; W632-I636 WeakPolarHBondContact O-CG1 3.46Å; W632-I636 PolarHBondContact O-N 3.19Å
633F73.6Confident77.8Confident19 Ų1951.6 Ų51.68%0.08326%0.257CS..Hα-helixtrans-64.2-36.6177-67.8-50.3000112.8T97 S100 M629 V630 R637 L723 M726 L730T97-F633 HydrophobicContact CG2-CE1 4.45Å; S100-F633 WeakPolarHBondContact OG-CE1 3.45Å; M629-F633 HydrophobicContact CB-CE2 4.32Å; M629-F633 HydrophobicContact CE-CE1 4.2Å; M629-F633 HydrophobicContact CE-CE2 3.69Å; M629-F633 HydrophobicContact CE-CZ 3.46Å; M629-F633 VanDerWaalsContact CE-CZ 3.46Å; M629-F633 WeakPolarHBondContact O-CD2 3.27Å; M629-F633 VanDerWaalsContact O-CG 3.32Å; M629-F633 WeakPolarHBondContact O-CG 3.43Å; M629-F633 PolarHBondContact O-N 3.3Å; V630-F633 PolarHBondContact O-N 3.21Å; F633-R637 WeakPolarHBondContact O-CB 3.34Å; F633-R637 PolarHBondContact O-N 3.45Å; F633-L723 HydrophobicContact CB-CD1 4.5Å; F633-M726 HydrophobicContact CD1-CE 3.77Å; F633-M726 HydrophobicContact CD1-SD 4.01Å; F633-M726 HydrophobicContact CD2-CE 4.34Å; F633-M726 HydrophobicContact CD2-SD 3.47Å; F633-M726 WeakPolarHBondContact CD2-SD 3.48Å; F633-M726 HydrophobicContact CE1-CE 3.65Å; F633-M726 HydrophobicContact CE1-SD 3.97Å; F633-M726 HydrophobicContact CE2-CE 4.24Å; F633-M726 HydrophobicContact CE2-SD 3.43Å; F633-M726 WeakPolarHBondContact CE2-SD 3.38Å; F633-M726 HydrophobicContact CG-CE 4.13Å; F633-M726 HydrophobicContact CG-SD 3.79Å; F633-M726 HydrophobicContact CZ-CE 3.9Å; F633-M726 HydrophobicContact CZ-SD 3.68Å; F633-L730 HydrophobicContact CD2-CD1 4.22Å; F633-L730 HydrophobicContact CE2-CD1 4.42Å
634N79.3Confident78.4Confident55 Ų5546.4 Ų46.429%0.29423%0.228SC..Hα-helixtrans-62.7-41.7172.1-78.3-41.5000111.9V630 D631 W632 R637 K638 M727V630-N634 WeakPolarHBondContact O-CB 3.25Å; V630-N634 PolarHBondContact O-N 2.85Å; V630-N634 PolarHBondContact O-ND2 3.47Å; V630-N634 VanDerWaalsContact O-ND2 3.14Å; D631-N634 PolarHBondContact O-N 2.67Å; W632-N634 VanDerWaalsContact C-N 3.34Å; W632-N634 PolarHBondContact O-N 2.72Å; N634-R637 WeakPolarHBondContact O-CB 3.37Å; N634-R637 PolarHBondContact O-N 2.87Å; N634-K638 WeakPolarHBondContact O-CG 3.41Å; N634-K638 PolarHBondContact O-N 3.03Å; N634-M727 PolarHBondContact OD1-SD 2.64Å
635L87.4Confident79.2Confident6 Ų645.7 Ų45.73%0.03122%0.222CC..Hα-helixtrans-67.9-45.9179-176143.5000111.9V195 L601 E604 G605 L608 D631 W632 R637 K638 K639V195-L635 HydrophobicContact CG2-CD2 3.62Å; L601-L635 HydrophobicContact CD2-CD1 4.36Å; L601-L635 HydrophobicContact CD2-CG 4.12Å; E604-L635 HydrophobicContact CB-CD1 3.43Å; E604-L635 VanDerWaalsContact CB-CD1 3.43Å; G605-L635 VanDerWaalsContact N-CD1 3.31Å; L608-L635 HydrophobicContact CD1-CB 4.34Å; L608-L635 HydrophobicContact CD1-CD1 4.07Å; D631-L635 WeakPolarHBondContact O-CB 3.49Å; D631-L635 PolarHBondContact O-N 3.35Å; W632-L635 PolarHBondContact O-N 2.85Å; L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 3.45Å; L635-K638 PolarHBondContact O-N 2.78Å; L635-K639 PolarHBondContact O-N 3.07Å
636I76.9Confident79.7Confident40 Ų4045.8 Ų45.821%0.20522%0.222CC..Hα-helixtrans-58.6-41.8173.7-64.8-63.4000110.1V195 W632 K639 Q640V195-I636 HydrophobicContact CG2-CD1 4.32Å; W632-I636 HydrophobicContact CD2-CG1 4.4Å; W632-I636 HydrophobicContact CH2-CD1 4.49Å; W632-I636 HydrophobicContact CZ2-CD1 4.29Å; W632-I636 WeakPolarHBondContact O-CG1 3.46Å; W632-I636 PolarHBondContact O-N 3.19Å; I636-K639 PolarHBondContact O-N 3.43Å; I636-Q640 HydrophobicContact CG2-CG 4.5Å; I636-Q640 WeakPolarHBondContact O-CG 3.38Å; I636-Q640 PolarHBondContact O-N 2.95Å
637R73.6Confident80.1Confident58 Ų5844.6 Ų44.622%0.21922%0.216CC..Hα-helixtrans-57.6-52.2174-170.7177.4-177.8-168.4-0.8112.2F633 N634 L635 K639 Q640 M641 D720 L723 N724F633-R637 WeakPolarHBondContact O-CB 3.34Å; F633-R637 PolarHBondContact O-N 3.45Å; N634-R637 WeakPolarHBondContact O-CB 3.37Å; N634-R637 PolarHBondContact O-N 2.87Å; L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 3.45Å; R637-K639 VanDerWaalsContact C-N 3.27Å; R637-K639 PolarHBondContact O-N 2.93Å; R637-Q640 PolarHBondContact O-N 2.99Å; R637-M641 WeakPolarHBondContact O-CG 3.39Å; R637-M641 PolarHBondContact O-N 3.11Å; R637-D720 IonicContact CZ-OD2 3.76Å; R637-D720 VanDerWaalsContact CZ-OD2 3.31Å; R637-D720 IonicContact NE-OD2 2.69Å; R637-D720 PolarHBondContact NE-OD2 3.21Å; R637-D720 IonicContact NH2-OD2 2.97Å; R637-D720 PolarHBondContact NH2-OD2 3.14Å; R637-L723 HydrophobicContact CB-CD2 3.7Å; R637-L723 HydrophobicContact CG-CD2 3.88Å; R637-N724 PolarHBondContact NH1-OD1 2.85Å; R637-N724 PolarHBondContact NH2-ND2 3.38Å; R637-N724 PolarHBondContact NH2-OD1 3.5Å
638K81.6Confident80.2Confident111 Ų11146.1 Ų46.148%0.48322%0.219SC..Hα-helixtrans-55.3-45.2178.1-70.4175-176.4177.40110.6L601 N634 L635 Q640 M641 Y642L601-K638 HydrophobicContact CD1-CB 3.73Å; L601-K638 HydrophobicContact CD2-CB 3.95Å; L601-K638 HydrophobicContact CD2-CD 3.74Å; N634-K638 WeakPolarHBondContact O-CG 3.41Å; N634-K638 PolarHBondContact O-N 3.03Å; L635-K638 PolarHBondContact O-N 2.78Å; K638-Q640 PolarHBondContact O-N 2.69Å; K638-M641 PolarHBondContact O-N 3.43Å; K638-Y642 WeakPolarHBondContact O-CD2 3.47Å; K638-Y642 PolarHBondContact O-N 2.75Å; K638-Y642 VanDerWaalsContact O-N 3.07Å
639K81.4Confident80.4Confident15 Ų1544.9 Ų44.97%0.06521%0.212CC..Hα-helixtrans-61.1-45.9179.7-158.3-167-176.2-170.50111.8V195 L598 L601 E602 L635 I636 R637 Y642 I643V195-K639 HydrophobicContact CG2-CD 4.2Å; V195-K639 PolarHBondContact O-NZ 3.36Å; L598-K639 HydrophobicContact CD2-CD 4.5Å; L598-K639 HydrophobicContact CD2-CG 3.53Å; L601-K639 HydrophobicContact CD1-CB 4.4Å; E602-K639 WeakPolarHBondContact OE1-CE 3.22Å; E602-K639 IonicContact OE1-NZ 3.57Å; E602-K639 PolarHBondContact OE1-NZ 3Å; L635-K639 PolarHBondContact O-N 3.07Å; I636-K639 PolarHBondContact O-N 3.43Å; R637-K639 VanDerWaalsContact C-N 3.27Å; R637-K639 PolarHBondContact O-N 2.93Å; K639-Y642 PolarHBondContact O-N 2.95Å; K639-I643 HydrophobicContact CD-CD1 4.24Å; K639-I643 HydrophobicContact CG-CD1 4.09Å; K639-I643 WeakPolarHBondContact O-CG1 3.42Å; K639-I643 PolarHBondContact O-N 2.81Å
640Q74.6Confident80.6Confident78 Ų7844.9 Ų44.936%0.36421%0.213SC..Hα-helixtrans-64.1-41.5177.5-61.5-56.4-9.500112I636 R637 K638 Y642 I643 R644I636-Q640 HydrophobicContact CG2-CG 4.5Å; I636-Q640 WeakPolarHBondContact O-CG 3.38Å; I636-Q640 PolarHBondContact O-N 2.95Å; R637-Q640 PolarHBondContact O-N 2.99Å; K638-Q640 PolarHBondContact O-N 2.69Å; Q640-Y642 VanDerWaalsContact C-N 3.28Å; Q640-Y642 PolarHBondContact O-N 3.15Å; Q640-I643 PolarHBondContact O-N 3.27Å; Q640-R644 WeakPolarHBondContact O-CD 3.44Å; Q640-R644 WeakPolarHBondContact O-CG 3.42Å; Q640-R644 PolarHBondContact O-N 3.23Å
641M79.6Confident80.8Confident100 Ų10042.8 Ų42.849%0.49320%0.199SC..Hα-helixtrans-58.8-38.8175.4-68.2-159.175.500112.8R637 K638 K645R637-M641 WeakPolarHBondContact O-CG 3.39Å; R637-M641 PolarHBondContact O-N 3.11Å; K638-M641 PolarHBondContact O-N 3.43Å; M641-K645 WeakPolarHBondContact O-CB 3.43Å; M641-K645 PolarHBondContact O-N 2.8Å
642Y83.6Confident80.9Confident75 Ų7541.2 Ų41.229%0.29419%0.191SC..Hα-helixtrans-69-41174.4-78.8-59.4000113.3I594 N597 L601 K638 K639 Q640 R644 K645 E646I594-Y642 HydrophobicContact CB-CD1 4.49Å; I594-Y642 HydrophobicContact CG1-CD1 4.04Å; I594-Y642 HydrophobicContact CG2-CD1 4.2Å; N597-Y642 HydrophobicContact CB-CD1 4.26Å; N597-Y642 HydrophobicContact CB-CD2 4.18Å; N597-Y642 HydrophobicContact CB-CE1 3.86Å; N597-Y642 HydrophobicContact CB-CE2 3.79Å; N597-Y642 HydrophobicContact CB-CG 4.41Å; N597-Y642 PolarHBondContact OD1-OH 3.07Å; N597-Y642 VanDerWaalsContact OD1-OH 3.11Å; L601-Y642 HydrophobicContact CD1-CD2 3.48Å; L601-Y642 VanDerWaalsContact CD1-CD2 3.48Å; L601-Y642 HydrophobicContact CD1-CE2 3.76Å; K638-Y642 WeakPolarHBondContact O-CD2 3.47Å; K638-Y642 PolarHBondContact O-N 2.75Å; K638-Y642 VanDerWaalsContact O-N 3.07Å; K639-Y642 PolarHBondContact O-N 2.95Å; Q640-Y642 VanDerWaalsContact C-N 3.28Å; Q640-Y642 PolarHBondContact O-N 3.15Å; Y642-R644 VanDerWaalsContact C-N 3.31Å; Y642-R644 PolarHBondContact O-N 3.48Å; Y642-K645 PolarHBondContact O-N 2.91Å; Y642-E646 WeakPolarHBondContact O-CB 3.05Å; Y642-E646 PolarHBondContact O-N 3.49Å
643I77.1Confident81Confident37 Ų3741.2 Ų41.219%0.1919%0.191CC..Hα-helixtrans-62.8-36.7175.5-68.5164.6000111.8L598 K639 Q640 S647L598-I643 HydrophobicContact CD1-CG1 4.4Å; L598-I643 HydrophobicContact CD2-CG1 3.97Å; K639-I643 HydrophobicContact CD-CD1 4.24Å; K639-I643 HydrophobicContact CG-CD1 4.09Å; K639-I643 WeakPolarHBondContact O-CG1 3.42Å; K639-I643 PolarHBondContact O-N 2.81Å; Q640-I643 PolarHBondContact O-N 3.27Å; I643-S647 PolarHBondContact O-N 3.48Å; I643-S647 PolarHBondContact O-OG 3.5Å
644R76.9Confident81.5Confident29 Ų2942.4 Ų42.411%0.10920%0.195CC..Hα-helixtrans-68.5-46.6175.2-63162.9-177.9169.7-2.5111.2Q640 Y642 E646 S647 E648 E716 E719 D720Q640-R644 WeakPolarHBondContact O-CD 3.44Å; Q640-R644 WeakPolarHBondContact O-CG 3.42Å; Q640-R644 PolarHBondContact O-N 3.23Å; Y642-R644 VanDerWaalsContact C-N 3.31Å; Y642-R644 PolarHBondContact O-N 3.48Å; R644-E646 VanDerWaalsContact C-N 3.34Å; R644-E646 PolarHBondContact O-N 2.84Å; R644-S647 WeakPolarHBondContact O-CA 3.46Å; R644-S647 WeakPolarHBondContact O-CB 3.32Å; R644-S647 PolarHBondContact O-N 3.09Å; R644-E648 PolarHBondContact O-N 2.88Å; R644-E716 VanDerWaalsContact CD-CD 3.41Å; R644-E716 WeakPolarHBondContact CD-OE2 3.2Å; R644-E716 VanDerWaalsContact CG-CD 3.43Å; R644-E716 HydrophobicContact CG-CG 3.94Å; R644-E716 VanDerWaalsContact CG-OE1 3.29Å; R644-E716 WeakPolarHBondContact CG-OE1 3.44Å; R644-E719 IonicContact CZ-OE2 2.67Å; R644-E719 IonicContact NE-OE2 3.67Å; R644-E719 IonicContact NH2-OE2 3.18Å; R644-E719 PolarHBondContact NH2-OE2 3.31Å; R644-D720 IonicContact CZ-OD1 3.85Å; R644-D720 IonicContact NH1-OD1 2.7Å; R644-D720 PolarHBondContact NH1-OD1 2.92Å; R644-D720 IonicContact NH2-OD1 3.5Å; R644-D720 PolarHBondContact NH2-OD1 3.09Å
645K81.9Confident81.9Confident66 Ų6641.2 Ų41.229%0.28719%0.19SC..Hα-helixtrans-61.7-39.3175.9-172.371.7-143.9167.10112.4I594 M641 Y642 E648 L649I594-K645 HydrophobicContact CD1-CB 4.01Å; I594-K645 HydrophobicContact CD1-CG 3.57Å; M641-K645 WeakPolarHBondContact O-CB 3.43Å; M641-K645 PolarHBondContact O-N 2.8Å; Y642-K645 PolarHBondContact O-N 2.91Å; K645-E648 WeakPolarHBondContact CD-OE2 3.43Å; K645-E648 WeakPolarHBondContact CE-OE2 3.39Å; K645-E648 IonicContact NZ-OE1 3.59Å; K645-E648 PolarHBondContact NZ-OE1 3.38Å; K645-E648 IonicContact NZ-OE2 2.7Å; K645-E648 PolarHBondContact NZ-OE2 2.98Å; K645-E648 PolarHBondContact O-N 2.9Å; K645-L649 HydrophobicContact CG-CD1 4.22Å; K645-L649 WeakPolarHBondContact O-CB 3.4Å; K645-L649 WeakPolarHBondContact O-CG 3.42Å; K645-L649 PolarHBondContact O-N 3.21Å
646E84.3Confident82Confident6 Ų641.3 Ų41.33%0.02819%0.19CC..Hα-helixtrans-55.1-50.3168.8155.5175.2-100.400111R207 H220 L591 I594 Y642 R644 L649 V650R207-E646 IonicContact CZ-OE1 2.68Å; R207-E646 IonicContact NH2-OE1 3.29Å; R207-E646 PolarHBondContact NH2-OE1 3.03Å; R207-E646 IonicContact NH2-OE2 3.62Å; H220-E646 IonicContact CE1-OE1 3.78Å; H220-E646 IonicContact CG-OE1 2.86Å; H220-E646 IonicContact ND1-OE1 3.48Å; H220-E646 PolarHBondContact ND1-OE1 3.13Å; L591-E646 HydrophobicContact CD2-CB 4.39Å; L591-E646 HydrophobicContact CD2-CG 4.43Å; I594-E646 HydrophobicContact CG2-CB 4.08Å; Y642-E646 WeakPolarHBondContact O-CB 3.05Å; Y642-E646 PolarHBondContact O-N 3.49Å; R644-E646 VanDerWaalsContact C-N 3.34Å; R644-E646 PolarHBondContact O-N 2.84Å; E646-L649 PolarHBondContact O-N 3.21Å; E646-V650 WeakPolarHBondContact O-CG2 3.28Å; E646-V650 PolarHBondContact O-N 3.17Å; E646-V650 VanDerWaalsContact O-N 3.15Å
647S80.9Confident82.4Confident11 Ų1140.8 Ų40.88%0.07719%0.187CC..Hα-helixtrans-61.5-48.7-179.3-53.90000111.1R307 I643 R644 L649 V650 Y651R307-S647 PolarHBondContact NH1-OG 2.95Å; I643-S647 PolarHBondContact O-N 3.48Å; I643-S647 PolarHBondContact O-OG 3.5Å; R644-S647 WeakPolarHBondContact O-CA 3.46Å; R644-S647 WeakPolarHBondContact O-CB 3.32Å; R644-S647 PolarHBondContact O-N 3.09Å; S647-L649 PolarHBondContact O-N 3.34Å; S647-V650 PolarHBondContact O-N 3.48Å; S647-Y651 VanDerWaalsContact C-CD2 3.49Å; S647-Y651 WeakPolarHBondContact O-CD2 3.33Å; S647-Y651 VanDerWaalsContact O-CG 3.29Å; S647-Y651 PolarHBondContact O-N 3.1Å
648E82.3Confident83.1Confident89 Ų8938.3 Ų38.342%0.41618%0.178SC..Hα-helixtrans-53.4-47.7176.4-170.4-156.7145.800112.5R644 K645 Y651 L652R644-E648 PolarHBondContact O-N 2.88Å; K645-E648 WeakPolarHBondContact CD-OE2 3.43Å; K645-E648 WeakPolarHBondContact CE-OE2 3.39Å; K645-E648 IonicContact NZ-OE1 3.59Å; K645-E648 PolarHBondContact NZ-OE1 3.38Å; K645-E648 IonicContact NZ-OE2 2.7Å; K645-E648 PolarHBondContact NZ-OE2 2.98Å; K645-E648 PolarHBondContact O-N 2.9Å; E648-Y651 PolarHBondContact O-N 3.4Å; E648-L652 WeakPolarHBondContact O-CB 3.41Å; E648-L652 PolarHBondContact O-N 3.28Å
649L86.8Confident83.4Confident1 Ų135.5 Ų35.51%0.00517%0.166CC..Hα-helixtrans-66.2-39.1-178.9-75.2168.8000112.8I587 E590 L591 I594 K645 E646 S647 L652 A653I587-L649 HydrophobicContact CG2-CB 4.05Å; I587-L649 HydrophobicContact CG2-CD2 4.21Å; E590-L649 HydrophobicContact CB-CD1 3.63Å; E590-L649 HydrophobicContact CB-CD2 4.47Å; L591-L649 HydrophobicContact CD2-CB 3.88Å; L591-L649 HydrophobicContact CD2-CD1 4.15Å; L591-L649 HydrophobicContact CG-CB 4.17Å; L591-L649 HydrophobicContact CG-CD1 4.28Å; I594-L649 HydrophobicContact CD1-CD1 3.49Å; I594-L649 VanDerWaalsContact CD1-CD1 3.49Å; K645-L649 HydrophobicContact CG-CD1 4.22Å; K645-L649 WeakPolarHBondContact O-CB 3.4Å; K645-L649 WeakPolarHBondContact O-CG 3.42Å; K645-L649 PolarHBondContact O-N 3.21Å; E646-L649 PolarHBondContact O-N 3.21Å; S647-L649 PolarHBondContact O-N 3.34Å; L649-L652 PolarHBondContact O-N 3.31Å; L649-A653 PolarHBondContact O-N 2.95Å
650V83.7Confident83.8Confident12 Ų1240.2 Ų40.27%0.07319%0.189CC..Hα-helixtrans-70.4-38.7176.4-175.80000111F311 I369 L591 E646 S647 R654F311-V650 HydrophobicContact CE1-CG1 3.76Å; F311-V650 HydrophobicContact CZ-CG1 3.48Å; F311-V650 VanDerWaalsContact CZ-CG1 3.48Å; I369-V650 HydrophobicContact CD1-CG1 4.41Å; I369-V650 HydrophobicContact CD1-CG2 4.04Å; L591-V650 HydrophobicContact CD1-CG2 4.07Å; L591-V650 HydrophobicContact CD2-CG2 4.01Å; E646-V650 WeakPolarHBondContact O-CG2 3.28Å; E646-V650 PolarHBondContact O-N 3.17Å; E646-V650 VanDerWaalsContact O-N 3.15Å; S647-V650 PolarHBondContact O-N 3.48Å; V650-R654 WeakPolarHBondContact O-CB 3.26Å; V650-R654 PolarHBondContact O-N 3.2Å
651Y83.3Confident84.4Confident7 Ų740.6 Ų40.63%0.02719%0.191CC..Hα-helixtrans-62.6-41.3172.1-64.3-49.4000111.7R307 F310 S647 E648 R654 T655 V708 L709 D712R307-Y651 WeakPolarHBondContact CG-OH 3.29Å; R307-Y651 PolarHBondContact NE-OH 3.29Å; R307-Y651 VanDerWaalsContact NE-OH 3.09Å; F310-Y651 HydrophobicContact CD1-CD1 4.28Å; F310-Y651 HydrophobicContact CD1-CE1 4.11Å; F310-Y651 AromaticContact CE1-CD1 3.64Å; F310-Y651 HydrophobicContact CE1-CD1 3.64Å; F310-Y651 AromaticContact CE1-CE1 3.93Å; F310-Y651 HydrophobicContact CE1-CE1 3.93Å; F310-Y651 HydrophobicContact CZ-CD1 4.19Å; S647-Y651 VanDerWaalsContact C-CD2 3.49Å; S647-Y651 WeakPolarHBondContact O-CD2 3.33Å; S647-Y651 VanDerWaalsContact O-CG 3.29Å; S647-Y651 PolarHBondContact O-N 3.1Å; E648-Y651 PolarHBondContact O-N 3.4Å; Y651-R654 PolarHBondContact O-N 2.73Å; Y651-T655 WeakPolarHBondContact O-CB 3.22Å; Y651-T655 PolarHBondContact O-N 2.82Å; Y651-T655 PolarHBondContact O-OG1 2.67Å; Y651-V708 HydrophobicContact CE1-CG1 4.16Å; Y651-V708 WeakPolarHBondContact OH-CG1 3.36Å; Y651-L709 HydrophobicContact CD2-CD2 3.39Å; Y651-L709 HydrophobicContact CD2-CG 4.02Å; Y651-L709 HydrophobicContact CE2-CD2 3.92Å; Y651-L709 HydrophobicContact CG-CD2 4.14Å; Y651-L709 HydrophobicContact CG-CG 4.37Å; Y651-D712 PolarHBondContact OH-OD2 2.97Å
652L85.7Confident84.9Confident48 Ų4837.5 Ų37.525%0.25118%0.175SC..Hα-helixtrans-63.1-48.9177.1178.961.6000112I582 I587 E648 L649 R654 T655 Q656I582-L652 HydrophobicContact CD1-CD2 3.71Å; I582-L652 HydrophobicContact CG1-CD2 4.19Å; I587-L652 HydrophobicContact CD1-CD2 4.39Å; I587-L652 HydrophobicContact CD1-CG 4.38Å; E648-L652 WeakPolarHBondContact O-CB 3.41Å; E648-L652 PolarHBondContact O-N 3.28Å; L649-L652 PolarHBondContact O-N 3.31Å; L652-R654 VanDerWaalsContact C-N 3.31Å; L652-R654 PolarHBondContact O-N 2.95Å; L652-T655 WeakPolarHBondContact O-CB 3.12Å; L652-T655 PolarHBondContact O-N 2.67Å; L652-Q656 WeakPolarHBondContact O-CG 3.4Å; L652-Q656 PolarHBondContact O-N 3.18Å
653A86.4Confident85.3Confident3 Ų337.3 Ų37.33%0.02518%0.183CC..Hα-helixtrans-58.7-41.7176.500000112.4F367 I587 L649 Q656 E657F367-A653 HydrophobicContact CD1-CB 4.49Å; F367-A653 HydrophobicContact CE1-CB 3.74Å; F367-A653 HydrophobicContact CE2-CB 3.97Å; F367-A653 HydrophobicContact CZ-CB 3.46Å; F367-A653 VanDerWaalsContact CZ-CB 3.46Å; I587-A653 HydrophobicContact CD1-CB 4.13Å; I587-A653 HydrophobicContact CG2-CB 4.23Å; L649-A653 PolarHBondContact O-N 2.95Å; A653-Q656 PolarHBondContact O-N 2.99Å; A653-E657 WeakPolarHBondContact O-CB 3.27Å; A653-E657 PolarHBondContact O-N 2.82Å
654R85Confident86Confident44 Ų4438 Ų3817%0.16620%0.2CC..Hα-helixtrans-71.5-31.2177.3-177.653.6172.8-175.61.1112.7F310 V650 Y651 L652 E657 L658 I705F310-R654 HydrophobicContact CE1-CG 4.22Å; F310-R654 HydrophobicContact CE2-CG 3.89Å; F310-R654 HydrophobicContact CZ-CB 3.93Å; F310-R654 HydrophobicContact CZ-CG 3.35Å; V650-R654 WeakPolarHBondContact O-CB 3.26Å; V650-R654 PolarHBondContact O-N 3.2Å; Y651-R654 PolarHBondContact O-N 2.73Å; L652-R654 VanDerWaalsContact C-N 3.31Å; L652-R654 PolarHBondContact O-N 2.95Å; R654-E657 VanDerWaalsContact CD-OE2 3.24Å; R654-E657 WeakPolarHBondContact CD-OE2 3.34Å; R654-E657 IonicContact CZ-OE2 2.79Å; R654-E657 IonicContact NE-OE2 4Å; R654-E657 IonicContact NH1-OE2 2.86Å; R654-E657 PolarHBondContact NH1-OE2 3.03Å; R654-E657 PolarHBondContact O-N 2.86Å; R654-L658 VanDerWaalsContact O-CG 3.32Å; R654-L658 WeakPolarHBondContact O-CG 3.48Å; R654-L658 PolarHBondContact O-N 3.35Å; R654-L658 VanDerWaalsContact O-N 3.12Å; R654-I705 HydrophobicContact CB-CD1 4.48Å; R654-I705 HydrophobicContact CG-CD1 4.24Å
655T87.1Confident86.7Confident29 Ų2937.4 Ų37.418%0.17820%0.199CC..Hα-helixtrans-62.7-49.7170.8-52.40000110.1Y651 L652 E657 L658 E659 I705Y651-T655 WeakPolarHBondContact O-CB 3.22Å; Y651-T655 PolarHBondContact O-N 2.82Å; Y651-T655 PolarHBondContact O-OG1 2.67Å; L652-T655 WeakPolarHBondContact O-CB 3.12Å; L652-T655 PolarHBondContact O-N 2.67Å; T655-E657 VanDerWaalsContact C-N 3.34Å; T655-E657 PolarHBondContact O-N 3.33Å; T655-L658 PolarHBondContact O-N 2.92Å; T655-E659 WeakPolarHBondContact CG2-OE1 3.23Å; T655-E659 WeakPolarHBondContact O-CB 3.44Å; T655-E659 WeakPolarHBondContact O-CG 3.37Å; T655-E659 PolarHBondContact O-N 3.39Å; T655-I705 WeakPolarHBondContact OG1-CD1 3.46Å
656Q88.9Confident87.2Confident8 Ų837.2 Ų37.24%0.03720%0.199CC..Hα-helixtrans-60.6-39.6177.3-71.8168.25.500112.4H581 I582 L652 A653 E659 Q660H581-Q656 PolarHBondContact CE1-OE1 3.19Å; H581-Q656 PolarHBondContact ND1-OE1 3.16Å; I582-Q656 VanDerWaalsContact N-NE2 3.12Å; I582-Q656 PolarHBondContact O-OE1 3.06Å; L652-Q656 WeakPolarHBondContact O-CG 3.4Å; L652-Q656 PolarHBondContact O-N 3.18Å; A653-Q656 PolarHBondContact O-N 2.99Å; Q656-E659 PolarHBondContact O-N 3.28Å; Q656-Q660 WeakPolarHBondContact O-CB 3.28Å; Q656-Q660 PolarHBondContact O-N 2.99Å
657E85.8Confident87.6Confident29 Ų2938.4 Ų38.414%0.13621%0.213CC..Hα-helixtrans-61.8-45175.1-176.1-177-139.700112A653 R654 T655 Q660 Q661A653-E657 WeakPolarHBondContact O-CB 3.27Å; A653-E657 PolarHBondContact O-N 2.82Å; R654-E657 VanDerWaalsContact CD-OE2 3.24Å; R654-E657 WeakPolarHBondContact CD-OE2 3.34Å; R654-E657 IonicContact CZ-OE2 2.79Å; R654-E657 IonicContact NE-OE2 4Å; R654-E657 IonicContact NH1-OE2 2.86Å; R654-E657 PolarHBondContact NH1-OE2 3.03Å; R654-E657 PolarHBondContact O-N 2.86Å; T655-E657 VanDerWaalsContact C-N 3.34Å; T655-E657 PolarHBondContact O-N 3.33Å; E657-Q660 PolarHBondContact O-N 3.44Å; E657-Q661 WeakPolarHBondContact O-CG 3.49Å; E657-Q661 PolarHBondContact O-N 3Å; E657-Q661 VanDerWaalsContact O-N 3.13Å
658L87.7Confident88.2Confident6 Ų640 Ų403%0.03122%0.219CC..Hα-helixtrans-66.8-40.8177.6-68.9172.7000111.7R654 T655 Q660 Q661 Q662 I698 R702 I705R654-L658 VanDerWaalsContact O-CG 3.32Å; R654-L658 WeakPolarHBondContact O-CG 3.48Å; R654-L658 PolarHBondContact O-N 3.35Å; R654-L658 VanDerWaalsContact O-N 3.12Å; T655-L658 PolarHBondContact O-N 2.92Å; L658-Q660 VanDerWaalsContact C-N 3.34Å; L658-Q660 PolarHBondContact O-N 2.97Å; L658-Q661 PolarHBondContact O-N 3.39Å; L658-Q662 PolarHBondContact O-N 3.22Å; L658-Q662 VanDerWaalsContact O-N 3.12Å; L658-I698 HydrophobicContact CB-CG2 4.31Å; L658-I698 HydrophobicContact CD2-CG1 4.32Å; L658-R702 HydrophobicContact CB-CG 3.8Å; L658-R702 HydrophobicContact CD1-CG 3.84Å; L658-R702 HydrophobicContact CG-CG 4.48Å; L658-I705 HydrophobicContact CD1-CD1 4.14Å
659E88.6Confident88.7Confident52 Ų5236.3 Ų36.324%0.24320%0.202CC..Hα-helixtrans-64-35174-74.1175.2-178.400112.9T655 Q656 P663 R702T655-E659 WeakPolarHBondContact CG2-OE1 3.23Å; T655-E659 WeakPolarHBondContact O-CB 3.44Å; T655-E659 WeakPolarHBondContact O-CG 3.37Å; T655-E659 PolarHBondContact O-N 3.39Å; Q656-E659 PolarHBondContact O-N 3.28Å; E659-P663 WeakPolarHBondContact O-CD 3.3Å; E659-R702 VanDerWaalsContact CG-CZ 3.44Å; E659-R702 IonicContact OE1-CZ 3.53Å; E659-R702 IonicContact OE1-NE 3.79Å; E659-R702 PolarHBondContact OE1-NE 2.85Å; E659-R702 IonicContact OE1-NH2 3.15Å; E659-R702 PolarHBondContact OE1-NH2 3.37Å
660Q89.4Confident89.1Confident115 Ų11543.4 Ų43.454%0.53723%0.229SC..Hα-helixtrans-71-31.1175.3-169178.3112.700112.6Q656 E657 L658Q656-Q660 WeakPolarHBondContact O-CB 3.28Å; Q656-Q660 PolarHBondContact O-N 2.99Å; E657-Q660 PolarHBondContact O-N 3.44Å; L658-Q660 VanDerWaalsContact C-N 3.34Å; L658-Q660 PolarHBondContact O-N 2.97Å
661Q87.5Confident89.5Confident85 Ų8550.6 Ų50.640%0.39726%0.255SS..Hα-helixtrans-75.9-34.2177.2-70.5175.93200112.7E657 L658 G664 V665 I698E657-Q661 WeakPolarHBondContact O-CG 3.49Å; E657-Q661 PolarHBondContact O-N 3Å; E657-Q661 VanDerWaalsContact O-N 3.13Å; L658-Q661 PolarHBondContact O-N 3.39Å; Q661-G664 PolarHBondContact O-N 3Å; Q661-G664 VanDerWaalsContact O-N 3.15Å; Q661-V665 PolarHBondContact O-N 3.41Å; Q661-I698 HydrophobicContact CB-CD1 3.92Å
662Q90.8Very high89.9Confident36 Ų3651.3 Ų51.317%0.16826%0.259CS..Hα-helixtrans-55.2-48.4-172.1-172.5170-18.100114.3L658 G664 V665 E666 L695 I698L658-Q662 PolarHBondContact O-N 3.22Å; L658-Q662 VanDerWaalsContact O-N 3.12Å; Q662-G664 VanDerWaalsContact C-N 3.26Å; Q662-G664 PolarHBondContact O-N 3.35Å; Q662-V665 PolarHBondContact O-N 3.23Å; Q662-E666 HydrophobicContact CG-CG 4.19Å; Q662-E666 WeakPolarHBondContact CG-OE1 3.31Å; Q662-E666 PolarHBondContact NE2-OE1 3.24Å; Q662-E666 PolarHBondContact O-N 3.38Å; Q662-L695 HydrophobicContact CG-CD1 3.87Å; Q662-I698 HydrophobicContact CB-CG2 4.05Å; Q662-I698 HydrophobicContact CG-CG2 4.4Å
663P90.9Very high90.1Very high70 Ų7053.9 Ų53.946%0.45527%0.272SS..Hα-helixtrans-62.4-29179.6-24.234.3000114.3E659 G667E659-P663 WeakPolarHBondContact O-CD 3.3Å; P663-G667 WeakPolarHBondContact O-CA 3.45Å; P663-G667 PolarHBondContact O-N 2.74Å
664G91.3Very high90.5Very high53 Ų5361.5 Ų61.555%0.54631%0.307SS..Hα-helixtrans-70.2-44.517700000112Q661 Q662 E668Q661-G664 PolarHBondContact O-N 3Å; Q661-G664 VanDerWaalsContact O-N 3.15Å; Q662-G664 VanDerWaalsContact C-N 3.26Å; Q662-G664 PolarHBondContact O-N 3.35Å; G664-E668 PolarHBondContact O-N 3.07Å; G664-E668 VanDerWaalsContact O-N 3.14Å
665V92.3Very high90.7Very high16 Ų1662.9 Ų62.910%0.09731%0.314CS..Hα-helixtrans-67.9-49.2177-179.80000110.7Q661 Q662 G667 E668 L669 L691 Q694 L695 I698Q661-V665 PolarHBondContact O-N 3.41Å; Q662-V665 PolarHBondContact O-N 3.23Å; V665-G667 PolarHBondContact O-N 3.16Å; V665-E668 PolarHBondContact O-N 2.93Å; V665-L669 VanDerWaalsContact O-CB 3.26Å; V665-L669 WeakPolarHBondContact O-CB 3.47Å; V665-L669 PolarHBondContact O-N 3.11Å; V665-L691 HydrophobicContact CG1-CB 4.28Å; V665-L691 HydrophobicContact CG1-CD2 4.02Å; V665-L691 VanDerWaalsContact CG1-O 3.25Å; V665-L691 WeakPolarHBondContact CG1-O 3.43Å; V665-Q694 HydrophobicContact CG1-CB 4.29Å; V665-L695 HydrophobicContact CG1-CB 3.95Å; V665-I698 HydrophobicContact CB-CD1 4.49Å; V665-I698 HydrophobicContact CG2-CD1 3.88Å
666E92.4Very high90.9Very high62 Ų6264.5 Ų64.529%0.2933%0.325SS..Hα-helixtrans-61.6-41.7177.3-73.6-174.4-167.400112.6Q662 E668 L669 R670 L695Q662-E666 HydrophobicContact CG-CG 4.19Å; Q662-E666 WeakPolarHBondContact CG-OE1 3.31Å; Q662-E666 PolarHBondContact NE2-OE1 3.24Å; Q662-E666 PolarHBondContact O-N 3.38Å; E666-E668 VanDerWaalsContact C-N 3.34Å; E666-E668 PolarHBondContact O-N 3.4Å; E666-L669 PolarHBondContact O-N 2.97Å; E666-R670 VanDerWaalsContact O-CB 3.24Å; E666-R670 WeakPolarHBondContact O-CB 3.34Å; E666-R670 PolarHBondContact O-N 2.69Å; E666-R670 IonicContact OE2-NH2 2.72Å; E666-L695 HydrophobicContact CG-CD1 3.84Å; E666-L695 HydrophobicContact CG-CD2 4.09Å
667G93.1Very high90.8Very high30 Ų3069.1 Ų69.131%0.30935%0.351SS..Hα-helixtrans-65.6-35.2179.300000112.8P663 V665 R671P663-G667 WeakPolarHBondContact O-CA 3.45Å; P663-G667 PolarHBondContact O-N 2.74Å; V665-G667 PolarHBondContact O-N 3.16Å; G667-R671 WeakPolarHBondContact O-CG 3.47Å; G667-R671 PolarHBondContact O-NE 2.59Å
668E93.1Very high90.9Very high44 Ų4475.3 Ų75.321%0.20638%0.379CS..Hα-helixtrans-75.1-44.1173.2-168.5165.8108.300112.5G664 V665 E666 R670 R671 L672 R687 L691G664-E668 PolarHBondContact O-N 3.07Å; G664-E668 VanDerWaalsContact O-N 3.14Å; V665-E668 PolarHBondContact O-N 2.93Å; E666-E668 VanDerWaalsContact C-N 3.34Å; E666-E668 PolarHBondContact O-N 3.4Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 3.49Å; E668-R671 PolarHBondContact O-N 2.94Å; E668-R671 IonicContact OE2-NH2 2.67Å; E668-L672 PolarHBondContact O-N 3.2Å; E668-R687 IonicContact OE1-CZ 2.73Å; E668-R687 IonicContact OE1-NE 2.67Å; E668-R687 PolarHBondContact OE1-NE 2.72Å; E668-R687 IonicContact OE1-NH2 3.17Å; E668-R687 PolarHBondContact OE1-NH2 2.93Å; E668-R687 IonicContact OE2-CZ 2.73Å; E668-R687 IonicContact OE2-NH2 2.89Å; E668-R687 PolarHBondContact OE2-NH2 3.31Å; E668-L691 HydrophobicContact CB-CD1 4.04Å; E668-L691 HydrophobicContact CB-CD2 4.2Å; E668-L691 HydrophobicContact CG-CD1 3.67Å; E668-L691 HydrophobicContact CG-CD2 4.4Å
669L93.5Very high91Very high13 Ų1379.8 Ų79.87%0.06840%0.403CS..Hα-helixtrans-59.1-42.4177.8-179.158.2000111.4V665 E666 R671 L672 L673 E688 L691 L692 L695V665-L669 VanDerWaalsContact O-CB 3.26Å; V665-L669 WeakPolarHBondContact O-CB 3.47Å; V665-L669 PolarHBondContact O-N 3.11Å; E666-L669 PolarHBondContact O-N 2.97Å; L669-R671 PolarHBondContact O-N 2.83Å; L669-L672 PolarHBondContact O-N 2.76Å; L669-L672 VanDerWaalsContact O-N 3.15Å; L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CD1-CG 4.21Å; L669-L673 HydrophobicContact CG-CD1 3.84Å; L669-L673 HydrophobicContact CG-CG 4.37Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 2.88Å; L669-E688 HydrophobicContact CD1-CG 3.81Å; L669-L691 HydrophobicContact CB-CB 4.18Å; L669-L691 HydrophobicContact CD1-CB 4.15Å; L669-L692 HydrophobicContact CD2-CD1 4.28Å; L669-L695 HydrophobicContact CD2-CD2 4.01Å
670R94.6Very high91.2Very high150 Ų15078.2 Ų78.257%0.56640%0.395SS*.Hα-helixtrans-60.1-41.6177.5-167.8177-56.9172.96.5112.6E666 E668 L672 L673 E674E666-R670 VanDerWaalsContact O-CB 3.24Å; E666-R670 WeakPolarHBondContact O-CB 3.34Å; E666-R670 PolarHBondContact O-N 2.69Å; E666-R670 IonicContact OE2-NH2 2.72Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 3.49Å; R670-L672 VanDerWaalsContact C-N 3.28Å; R670-L672 PolarHBondContact O-N 3.38Å; R670-L673 PolarHBondContact O-N 3.49Å; R670-E674 WeakPolarHBondContact O-CB 3.37Å; R670-E674 PolarHBondContact O-N 2.86Å
671R92Very high91.4Very high162 Ų16275.3 Ų75.361%0.61139%0.388SS*.Hα-helixtrans-65.7-29176.7-68.3180-57-1502.6113.1G667 E668 L669G667-R671 WeakPolarHBondContact O-CG 3.47Å; G667-R671 PolarHBondContact O-NE 2.59Å; E668-R671 PolarHBondContact O-N 2.94Å; E668-R671 IonicContact OE2-NH2 2.67Å; L669-R671 PolarHBondContact O-N 2.83Å
672L91.4Very high91.6Very high22 Ų2281 Ų8112%0.11541%0.405CS..Hα-helixtrans-78.9-41.9173.8-64.1178.4000111.2E668 L669 R670 E674 K675 K680 E684 R687 E688 L691E668-L672 PolarHBondContact O-N 3.2Å; L669-L672 PolarHBondContact O-N 2.76Å; L669-L672 VanDerWaalsContact O-N 3.15Å; R670-L672 VanDerWaalsContact C-N 3.28Å; R670-L672 PolarHBondContact O-N 3.38Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 3.38Å; L672-K675 WeakPolarHBondContact O-CB 3.36Å; L672-K675 PolarHBondContact O-N 2.94Å; L672-K675 VanDerWaalsContact O-N 3.14Å; L672-K680 VanDerWaalsContact O-CE 3.23Å; L672-K680 WeakPolarHBondContact O-CE 3.34Å; L672-E684 HydrophobicContact CD2-CB 4.26Å; L672-E684 HydrophobicContact CD2-CG 4.31Å; L672-R687 HydrophobicContact CD1-CB 4.21Å; L672-R687 HydrophobicContact CD1-CG 4.14Å; L672-E688 HydrophobicContact CB-CB 4.37Å; L672-E688 HydrophobicContact CD1-CB 3.94Å; L672-L691 HydrophobicContact CD1-CD1 3.69Å
673L91.2Very high91.7Very high102 Ų10284.8 Ų84.853%0.53443%0.427SS..Hα-helixtrans-66.2-27.1177.5-71.2171.4000113.8L669 R670 K675 E688L669-L673 HydrophobicContact CD1-CD1 4.12Å; L669-L673 HydrophobicContact CD1-CG 4.21Å; L669-L673 HydrophobicContact CG-CD1 3.84Å; L669-L673 HydrophobicContact CG-CG 4.37Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 2.88Å; R670-L673 PolarHBondContact O-N 3.49Å; L673-K675 PolarHBondContact O-N 3.49Å; L673-E688 VanDerWaalsContact CD2-OE1 3.29Å; L673-E688 WeakPolarHBondContact CD2-OE1 3.31Å
674E93.3Very high91.8Very high163 Ų16384.1 Ų84.176%0.76242%0.418SS*.THydrogen-bonded Turntrans-68.7-17.1174.1-170.5166.6-153.500112.7R670 L672R670-E674 WeakPolarHBondContact O-CB 3.37Å; R670-E674 PolarHBondContact O-N 2.86Å; L672-E674 VanDerWaalsContact C-N 3.3Å; L672-E674 PolarHBondContact O-N 3.38Å
675K90.8Very high91.8Very high73 Ų7384.5 Ų84.532%0.31741%0.405SS..SBendtrans-88.1129.5173.4-161.4-177.6-166.2-173.70110.1L672 L673 L679 K680 E684L672-K675 WeakPolarHBondContact O-CB 3.36Å; L672-K675 PolarHBondContact O-N 2.94Å; L672-K675 VanDerWaalsContact O-N 3.14Å; L673-K675 PolarHBondContact O-N 3.49Å; K675-L679 WeakPolarHBondContact CE-O 3.45Å; K675-L679 HydrophobicContact CG-CB 4.31Å; K675-L679 PolarHBondContact NZ-O 2.77Å; K675-K680 HydrophobicContact CB-CG 4.35Å; K675-K680 HydrophobicContact CD-CG 4.19Å; K675-K680 HydrophobicContact CG-CG 4.37Å; K675-K680 WeakPolarHBondContact O-CE 3.2Å; K675-E684 IonicContact NZ-OE1 3.85Å; K675-E684 PolarHBondContact NZ-OE1 2.9Å; K675-E684 IonicContact NZ-OE2 2.78Å; K675-E684 PolarHBondContact NZ-OE2 2.58Å
676P90.4Very high91.9Very high63 Ų6389.3 Ų89.341%0.40943%0.426SS..  trans-59.9139.6174.6-25.133.9000113H678 L679 K680P676-H678 VanDerWaalsContact C-N 3.27Å; P676-H678 VanDerWaalsContact CB-CE1 3.45Å; P676-H678 WeakPolarHBondContact CB-CE1 3.48Å; P676-H678 PolarHBondContact O-N 3.41Å; P676-H678 VanDerWaalsContact O-N 3.14Å; P676-L679 HydrophobicContact CB-CD1 4.4Å; P676-L679 HydrophobicContact CB-CG 4.4Å; P676-L679 HydrophobicContact CG-CD1 4.19Å; P676-L679 WeakPolarHBondContact O-CA 3.44Å; P676-L679 WeakPolarHBondContact O-CB 3.34Å; P676-L679 PolarHBondContact O-N 3.15Å; P676-K680 PolarHBondContact O-N 2.85Å
677D87.4Confident91.9Very high106 Ų10692.6 Ų92.657%0.56744%0.436SS*.G310 helixtrans-54.1-38.2-173.4-68.2-44.5000114.7L679 K680D677-L679 PolarHBondContact O-N 3.47Å; D677-K680 WeakPolarHBondContact O-CB 3.47Å; D677-K680 PolarHBondContact O-N 3.2Å; D677-K680 VanDerWaalsContact O-N 3.11Å; D677-K680 VanDerWaalsContact OD1-CE 3.23Å; D677-K680 WeakPolarHBondContact OD1-CE 3.23Å; D677-K680 IonicContact OD1-NZ 2.8Å; D677-K680 PolarHBondContact OD1-NZ 3.34Å
678H87.6Confident91.9Very high159 Ų15992.6 Ų92.674%0.73643%0.428SS*.G310 helixtrans-70.8-11.2178.763.3-93000113.6P676P676-H678 VanDerWaalsContact C-N 3.27Å; P676-H678 VanDerWaalsContact CB-CE1 3.45Å; P676-H678 WeakPolarHBondContact CB-CE1 3.48Å; P676-H678 PolarHBondContact O-N 3.41Å; P676-H678 VanDerWaalsContact O-N 3.14Å
679L89.2Confident91.9Very high100 Ų10097 Ų9752%0.52444%0.443SS..G310 helixtrans-103.9-4.3172.4-55-178.4000112.5K675 P676 D677K675-L679 WeakPolarHBondContact CE-O 3.45Å; K675-L679 HydrophobicContact CG-CB 4.31Å; K675-L679 PolarHBondContact NZ-O 2.77Å; P676-L679 HydrophobicContact CB-CD1 4.4Å; P676-L679 HydrophobicContact CB-CG 4.4Å; P676-L679 HydrophobicContact CG-CD1 4.19Å; P676-L679 WeakPolarHBondContact O-CA 3.44Å; P676-L679 WeakPolarHBondContact O-CB 3.34Å; P676-L679 PolarHBondContact O-N 3.15Å; D677-L679 PolarHBondContact O-N 3.47Å
680K92.4Very high92Very high18 Ų18102.1 Ų102.18%0.07847%0.465CS..  trans-79.7126.4176.8-61.6178.5-171.1171.70110.4L672 K675 P676 D677 E684 Q685 E688L672-K680 VanDerWaalsContact O-CE 3.23Å; L672-K680 WeakPolarHBondContact O-CE 3.34Å; K675-K680 HydrophobicContact CB-CG 4.35Å; K675-K680 HydrophobicContact CD-CG 4.19Å; K675-K680 HydrophobicContact CG-CG 4.37Å; K675-K680 WeakPolarHBondContact O-CE 3.2Å; P676-K680 PolarHBondContact O-N 2.85Å; D677-K680 WeakPolarHBondContact O-CB 3.47Å; D677-K680 PolarHBondContact O-N 3.2Å; D677-K680 VanDerWaalsContact O-N 3.11Å; D677-K680 VanDerWaalsContact OD1-CE 3.23Å; D677-K680 WeakPolarHBondContact OD1-CE 3.23Å; D677-K680 IonicContact OD1-NZ 2.8Å; D677-K680 PolarHBondContact OD1-NZ 3.34Å; K680-E684 WeakPolarHBondContact CA-OE2 3.17Å; K680-E684 HydrophobicContact CB-CB 4.3Å; K680-Q685 HydrophobicContact CB-CG 3.63Å; K680-Q685 HydrophobicContact CD-CG 4.17Å; K680-Q685 PolarHBondContact O-NE2 3.3Å; K680-E688 WeakPolarHBondContact CD-OE2 3.47Å; K680-E688 VanDerWaalsContact CE-OE2 3.22Å; K680-E688 WeakPolarHBondContact CE-OE2 3.17Å; K680-E688 IonicContact NZ-OE1 3.83Å; K680-E688 PolarHBondContact NZ-OE1 3.05Å; K680-E688 IonicContact NZ-OE2 3.52Å; K680-E688 PolarHBondContact NZ-OE2 3.2Å
681S94.7Very high92Very high55 Ų5595.5 Ų95.539%0.38544%0.44SS..  trans-57.5152163.8174.90000110.4D683 E684 Q685S681-D683 PolarHBondContact O-N 3.07Å; S681-D683 VanDerWaalsContact O-N 3.11Å; S681-D683 PolarHBondContact OG-N 2.99Å; S681-E684 WeakPolarHBondContact CB-OE2 3.07Å; S681-E684 PolarHBondContact N-OE2 3.33Å; S681-E684 WeakPolarHBondContact O-CB 3.14Å; S681-E684 PolarHBondContact O-N 3.09Å; S681-Q685 WeakPolarHBondContact O-CG 3.35Å; S681-Q685 PolarHBondContact O-N 3.26Å
682R92.2Very high92Very high203 Ų20392.8 Ų92.877%0.76644%0.437SS*.Hα-helixtrans-51.4-34.2171.9-171.3-179.3-176.2-136.52.7112.3H686R682-H686 WeakPolarHBondContact O-CB 3.5Å; R682-H686 PolarHBondContact O-N 3.44Å
683D92.4Very high92.1Very high116 Ų11696.8 Ų96.862%0.6246%0.456SS*.Hα-helixtrans-76.8-36.7179.5-54-45.2000112.3S681 H686 R687S681-D683 PolarHBondContact O-N 3.07Å; S681-D683 VanDerWaalsContact O-N 3.11Å; S681-D683 PolarHBondContact OG-N 2.99Å; D683-H686 PolarHBondContact O-N 3.16Å; D683-R687 VanDerWaalsContact O-CB 3.3Å; D683-R687 WeakPolarHBondContact O-CB 3.46Å; D683-R687 PolarHBondContact O-N 3.16Å
684E92.6Very high92.1Very high56 Ų5695.4 Ų95.426%0.26245%0.446SS..Hα-helixtrans-63.8-47.1171.7-70.5171.6130.700110.1L672 K675 K680 S681 H686 R687 E688L672-E684 HydrophobicContact CD2-CB 4.26Å; L672-E684 HydrophobicContact CD2-CG 4.31Å; K675-E684 IonicContact NZ-OE1 3.85Å; K675-E684 PolarHBondContact NZ-OE1 2.9Å; K675-E684 IonicContact NZ-OE2 2.78Å; K675-E684 PolarHBondContact NZ-OE2 2.58Å; K680-E684 WeakPolarHBondContact CA-OE2 3.17Å; K680-E684 HydrophobicContact CB-CB 4.3Å; S681-E684 WeakPolarHBondContact CB-OE2 3.07Å; S681-E684 PolarHBondContact N-OE2 3.33Å; S681-E684 WeakPolarHBondContact O-CB 3.14Å; S681-E684 PolarHBondContact O-N 3.09Å; E684-H686 VanDerWaalsContact C-N 3.3Å; E684-H686 PolarHBondContact O-N 2.95Å; E684-R687 PolarHBondContact O-N 3.34Å; E684-E688 VanDerWaalsContact O-CB 3.32Å; E684-E688 WeakPolarHBondContact O-CB 3.33Å; E684-E688 PolarHBondContact O-N 3.18Å
685Q91.3Very high92.1Very high61 Ų6189.1 Ų89.129%0.28542%0.418SS..Hα-helixtrans-61.9-35174.9-62.9179500112.8K680 S681 R689K680-Q685 HydrophobicContact CB-CG 3.63Å; K680-Q685 HydrophobicContact CD-CG 4.17Å; K680-Q685 PolarHBondContact O-NE2 3.3Å; S681-Q685 WeakPolarHBondContact O-CG 3.35Å; S681-Q685 PolarHBondContact O-N 3.26Å; Q685-R689 VanDerWaalsContact C-NH2 3.33Å; Q685-R689 WeakPolarHBondContact O-CG 3.46Å; Q685-R689 VanDerWaalsContact O-CZ 3.22Å; Q685-R689 PolarHBondContact O-N 3.13Å; Q685-R689 VanDerWaalsContact O-N 3.13Å; Q685-R689 PolarHBondContact O-NE 3.49Å; Q685-R689 PolarHBondContact O-NH2 2.92Å
686H94Very high92.2Very high117 Ų11790.8 Ų90.854%0.54243%0.428SS..Hα-helixtrans-69.9-42.5174.6177.673.4000111.5R682 D683 E684 R689 K690R682-H686 WeakPolarHBondContact O-CB 3.5Å; R682-H686 PolarHBondContact O-N 3.44Å; D683-H686 PolarHBondContact O-N 3.16Å; E684-H686 VanDerWaalsContact C-N 3.3Å; E684-H686 PolarHBondContact O-N 2.95Å; H686-R689 PolarHBondContact O-N 3.28Å; H686-K690 WeakPolarHBondContact O-CB 3.38Å; H686-K690 PolarHBondContact O-N 3.39Å
687R93.1Very high92.1Very high132 Ų13291 Ų9150%0.49842%0.424SS..Hα-helixtrans-63.7-40.1176.2-171.1172.2-178.2160.1-1.2111.8E668 L672 D683 E684 K690 L691E668-R687 IonicContact OE1-CZ 2.73Å; E668-R687 IonicContact OE1-NE 2.67Å; E668-R687 PolarHBondContact OE1-NE 2.72Å; E668-R687 IonicContact OE1-NH2 3.17Å; E668-R687 PolarHBondContact OE1-NH2 2.93Å; E668-R687 IonicContact OE2-CZ 2.73Å; E668-R687 IonicContact OE2-NH2 2.89Å; E668-R687 PolarHBondContact OE2-NH2 3.31Å; L672-R687 HydrophobicContact CD1-CB 4.21Å; L672-R687 HydrophobicContact CD1-CG 4.14Å; D683-R687 VanDerWaalsContact O-CB 3.3Å; D683-R687 WeakPolarHBondContact O-CB 3.46Å; D683-R687 PolarHBondContact O-N 3.16Å; E684-R687 PolarHBondContact O-N 3.34Å; R687-K690 WeakPolarHBondContact O-CB 3.3Å; R687-K690 PolarHBondContact O-N 3.15Å; R687-L691 HydrophobicContact CG-CD1 4.08Å; R687-L691 WeakPolarHBondContact O-CD1 3.35Å; R687-L691 VanDerWaalsContact O-CG 3.27Å; R687-L691 WeakPolarHBondContact O-CG 3.19Å; R687-L691 PolarHBondContact O-N 3.25Å
688E93.3Very high92.1Very high30 Ų3086.3 Ų86.314%0.1440%0.398CS..Hα-helixtrans-60.5-51.8173.6-178.6179.4155.500112.2L669 L672 L673 K680 E684 K690 L691 L692L669-E688 HydrophobicContact CD1-CG 3.81Å; L672-E688 HydrophobicContact CB-CB 4.37Å; L672-E688 HydrophobicContact CD1-CB 3.94Å; L673-E688 VanDerWaalsContact CD2-OE1 3.29Å; L673-E688 WeakPolarHBondContact CD2-OE1 3.31Å; K680-E688 WeakPolarHBondContact CD-OE2 3.47Å; K680-E688 VanDerWaalsContact CE-OE2 3.22Å; K680-E688 WeakPolarHBondContact CE-OE2 3.17Å; K680-E688 IonicContact NZ-OE1 3.83Å; K680-E688 PolarHBondContact NZ-OE1 3.05Å; K680-E688 IonicContact NZ-OE2 3.52Å; K680-E688 PolarHBondContact NZ-OE2 3.2Å; E684-E688 VanDerWaalsContact O-CB 3.32Å; E684-E688 WeakPolarHBondContact O-CB 3.33Å; E684-E688 PolarHBondContact O-N 3.18Å; E688-K690 PolarHBondContact O-N 3.15Å; E688-L691 PolarHBondContact O-N 2.92Å; E688-L691 VanDerWaalsContact O-N 3.15Å; E688-L692 WeakPolarHBondContact O-CB 3.47Å; E688-L692 PolarHBondContact O-N 2.86Å
689R93.4Very high92.1Very high137 Ų13781.5 Ų81.552%0.51738%0.38SS..Hα-helixtrans-56.8-38.9173.9-75.9179.9-71.8-100.3-1.3112.1Q685 H686 Q693Q685-R689 VanDerWaalsContact C-NH2 3.33Å; Q685-R689 WeakPolarHBondContact O-CG 3.46Å; Q685-R689 VanDerWaalsContact O-CZ 3.22Å; Q685-R689 PolarHBondContact O-N 3.13Å; Q685-R689 VanDerWaalsContact O-N 3.13Å; Q685-R689 PolarHBondContact O-NE 3.49Å; Q685-R689 PolarHBondContact O-NH2 2.92Å; H686-R689 PolarHBondContact O-N 3.28Å; R689-Q693 WeakPolarHBondContact O-CB 2.85Å; R689-Q693 PolarHBondContact O-N 3.04Å
690K94.7Very high92Very high120 Ų12080.5 Ų80.552%0.52238%0.375SS..Hα-helixtrans-67.2-42.7176.2-174-177174.6-176.90112.4H686 R687 E688 Q693 Q694H686-K690 WeakPolarHBondContact O-CB 3.38Å; H686-K690 PolarHBondContact O-N 3.39Å; R687-K690 WeakPolarHBondContact O-CB 3.3Å; R687-K690 PolarHBondContact O-N 3.15Å; E688-K690 PolarHBondContact O-N 3.15Å; K690-Q693 WeakPolarHBondContact O-CB 3.22Å; K690-Q693 PolarHBondContact O-N 3.21Å; K690-Q694 WeakPolarHBondContact O-CG 3.31Å; K690-Q694 PolarHBondContact O-N 3.45Å
691L93.6Very high91.5Very high10 Ų1080 Ų805%0.05238%0.375CS..Hα-helixtrans-66.9-38.5177.3-72.1159.9000111.8V665 E668 L669 L672 R687 E688 Q694 L695V665-L691 HydrophobicContact CG1-CB 4.28Å; V665-L691 HydrophobicContact CG1-CD2 4.02Å; V665-L691 VanDerWaalsContact CG1-O 3.25Å; V665-L691 WeakPolarHBondContact CG1-O 3.43Å; E668-L691 HydrophobicContact CB-CD1 4.04Å; E668-L691 HydrophobicContact CB-CD2 4.2Å; E668-L691 HydrophobicContact CG-CD1 3.67Å; E668-L691 HydrophobicContact CG-CD2 4.4Å; L669-L691 HydrophobicContact CB-CB 4.18Å; L669-L691 HydrophobicContact CD1-CB 4.15Å; L672-L691 HydrophobicContact CD1-CD1 3.69Å; R687-L691 HydrophobicContact CG-CD1 4.08Å; R687-L691 WeakPolarHBondContact O-CD1 3.35Å; R687-L691 VanDerWaalsContact O-CG 3.27Å; R687-L691 WeakPolarHBondContact O-CG 3.19Å; R687-L691 PolarHBondContact O-N 3.25Å; E688-L691 PolarHBondContact O-N 2.92Å; E688-L691 VanDerWaalsContact O-N 3.15Å; L691-Q694 PolarHBondContact O-N 3.43Å; L691-L695 WeakPolarHBondContact O-CB 3.29Å; L691-L695 PolarHBondContact O-N 3.18Å
692L93.1Very high91.1Very high106 Ų10681 Ų8156%0.55537%0.371SS*.Hα-helixtrans-62.5-44.3173.7-175.764.6000111.3L669 E688 L695 M696L669-L692 HydrophobicContact CD2-CD1 4.28Å; E688-L692 WeakPolarHBondContact O-CB 3.47Å; E688-L692 PolarHBondContact O-N 2.86Å; L692-L695 PolarHBondContact O-N 3.45Å; L692-M696 PolarHBondContact O-N 3.07Å
693Q93.9Very high90.8Very high106 Ų10675.2 Ų75.250%0.49536%0.355SS..Hα-helixtrans-60.1-44.8173178.360.246.400111.8R689 K690 L695 M696 E697R689-Q693 WeakPolarHBondContact O-CB 2.85Å; R689-Q693 PolarHBondContact O-N 3.04Å; K690-Q693 WeakPolarHBondContact O-CB 3.22Å; K690-Q693 PolarHBondContact O-N 3.21Å; Q693-L695 PolarHBondContact O-N 2.88Å; Q693-M696 PolarHBondContact O-N 2.94Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.46Å; Q693-E697 PolarHBondContact NE2-OE1 3.36Å; Q693-E697 WeakPolarHBondContact O-CG 3.48Å; Q693-E697 PolarHBondContact O-N 3.42Å
694Q91.8Very high90.2Very high73 Ų7371.1 Ų71.134%0.34134%0.337SS..Hα-helixtrans-66.1-33.8176.5-73.1-176.7-108.300113.1V665 K690 L691 I698V665-Q694 HydrophobicContact CG1-CB 4.29Å; K690-Q694 WeakPolarHBondContact O-CG 3.31Å; K690-Q694 PolarHBondContact O-N 3.45Å; L691-Q694 PolarHBondContact O-N 3.43Å; Q694-I698 VanDerWaalsContact O-CG1 3.3Å; Q694-I698 WeakPolarHBondContact O-CG1 3.22Å; Q694-I698 PolarHBondContact O-N 3.21Å; Q694-I698 VanDerWaalsContact O-N 3.08Å
695L93.1Very high89.7Confident30 Ų3068.7 Ų68.716%0.15733%0.326CS..Hα-helixtrans-67.8-40.6174.5-177.958.6000111.1Q662 V665 E666 L669 L691 L692 Q693 I698 V699Q662-L695 HydrophobicContact CG-CD1 3.87Å; V665-L695 HydrophobicContact CG1-CB 3.95Å; E666-L695 HydrophobicContact CG-CD1 3.84Å; E666-L695 HydrophobicContact CG-CD2 4.09Å; L669-L695 HydrophobicContact CD2-CD2 4.01Å; L691-L695 WeakPolarHBondContact O-CB 3.29Å; L691-L695 PolarHBondContact O-N 3.18Å; L692-L695 PolarHBondContact O-N 3.45Å; Q693-L695 PolarHBondContact O-N 2.88Å; L695-I698 PolarHBondContact O-N 3.45Å; L695-V699 WeakPolarHBondContact O-CG2 3.32Å; L695-V699 PolarHBondContact O-N 3.32Å
696M91.3Very high89.2Confident109 Ų10969.8 Ų69.854%0.53734%0.336SS..Hα-helixtrans-66.3-42.1174.5-168.2153.2-174.600111.6L692 Q693 I698 V699 D700L692-M696 PolarHBondContact O-N 3.07Å; Q693-M696 PolarHBondContact O-N 2.94Å; M696-I698 PolarHBondContact O-N 2.93Å; M696-V699 PolarHBondContact O-N 2.98Å; M696-V699 VanDerWaalsContact O-N 3.11Å; M696-D700 WeakPolarHBondContact CG-OD2 3.25Å; M696-D700 WeakPolarHBondContact O-CB 3.41Å; M696-D700 VanDerWaalsContact O-CG 3.29Å; M696-D700 PolarHBondContact O-N 2.92Å
697E88.3Confident88.5Confident68 Ų6870.7 Ų70.732%0.31834%0.341SS..Hα-helixtrans-57.2-34.7172.3-75.8169-157.300113.1Q693 G701Q693-E697 WeakPolarHBondContact CG-OE1 3.46Å; Q693-E697 PolarHBondContact NE2-OE1 3.36Å; Q693-E697 WeakPolarHBondContact O-CG 3.48Å; Q693-E697 PolarHBondContact O-N 3.42Å; E697-G701 PolarHBondContact O-N 3.35Å
698I87.4Confident87.7Confident7 Ų765.3 Ų65.34%0.03632%0.323CS..Hα-helixtrans-71.1-43.5174.7-72.8166000111.5L658 Q661 Q662 V665 Q694 L695 M696 G701 R702L658-I698 HydrophobicContact CB-CG2 4.31Å; L658-I698 HydrophobicContact CD2-CG1 4.32Å; Q661-I698 HydrophobicContact CB-CD1 3.92Å; Q662-I698 HydrophobicContact CB-CG2 4.05Å; Q662-I698 HydrophobicContact CG-CG2 4.4Å; V665-I698 HydrophobicContact CB-CD1 4.49Å; V665-I698 HydrophobicContact CG2-CD1 3.88Å; Q694-I698 VanDerWaalsContact O-CG1 3.3Å; Q694-I698 WeakPolarHBondContact O-CG1 3.22Å; Q694-I698 PolarHBondContact O-N 3.21Å; Q694-I698 VanDerWaalsContact O-N 3.08Å; L695-I698 PolarHBondContact O-N 3.45Å; M696-I698 PolarHBondContact O-N 2.93Å; I698-G701 PolarHBondContact O-N 2.96Å; I698-R702 WeakPolarHBondContact O-CG 2.93Å; I698-R702 PolarHBondContact O-N 2.89Å
699V89.6Confident86.7Confident58 Ų5867 Ų6735%0.35233%0.332SS..Hα-helixtrans-67.9-49.3179.1170.80000111.1L695 M696 G701 R702 N703L695-V699 WeakPolarHBondContact O-CG2 3.32Å; L695-V699 PolarHBondContact O-N 3.32Å; M696-V699 PolarHBondContact O-N 2.98Å; M696-V699 VanDerWaalsContact O-N 3.11Å; V699-G701 VanDerWaalsContact C-N 3.26Å; V699-G701 PolarHBondContact O-N 2.9Å; V699-R702 PolarHBondContact O-N 3.17Å; V699-R702 VanDerWaalsContact O-N 3.08Å; V699-N703 VanDerWaalsContact O-CG 3.27Å; V699-N703 PolarHBondContact O-N 3.39Å; V699-N703 PolarHBondContact O-ND2 3.22Å
700D85.5Confident85.8Confident78 Ų7864.1 Ų64.142%0.41733%0.327SS..Hα-helixtrans-60.5-38.9175.6-66-18.2000110.9M696 R702 N703 A704M696-D700 WeakPolarHBondContact CG-OD2 3.25Å; M696-D700 WeakPolarHBondContact O-CB 3.41Å; M696-D700 VanDerWaalsContact O-CG 3.29Å; M696-D700 PolarHBondContact O-N 2.92Å; D700-R702 VanDerWaalsContact C-N 3.34Å; D700-R702 PolarHBondContact O-N 3.43Å; D700-N703 PolarHBondContact O-N 3.35Å; D700-A704 WeakPolarHBondContact O-CB 3.35Å; D700-A704 PolarHBondContact O-N 2.78Å
701G81.9Confident84.7Confident8 Ų862.3 Ų62.38%0.08232%0.321CS..Hα-helixtrans-62.4-34.4173.800000114E697 I698 V699 I705E697-G701 PolarHBondContact O-N 3.35Å; I698-G701 PolarHBondContact O-N 2.96Å; V699-G701 VanDerWaalsContact C-N 3.26Å; V699-G701 PolarHBondContact O-N 2.9Å; G701-I705 WeakPolarHBondContact O-CG1 3.43Å
702R87.2Confident83.4Confident76 Ų7662.2 Ų62.229%0.28732%0.32SS..Hα-helixtrans-77.9-40.2174-71.2172.273.2-157.3-1.4111.7L658 E659 I698 V699 D700 A704 I705 V706L658-R702 HydrophobicContact CB-CG 3.8Å; L658-R702 HydrophobicContact CD1-CG 3.84Å; L658-R702 HydrophobicContact CG-CG 4.48Å; E659-R702 VanDerWaalsContact CG-CZ 3.44Å; E659-R702 IonicContact OE1-CZ 3.53Å; E659-R702 IonicContact OE1-NE 3.79Å; E659-R702 PolarHBondContact OE1-NE 2.85Å; E659-R702 IonicContact OE1-NH2 3.15Å; E659-R702 PolarHBondContact OE1-NH2 3.37Å; I698-R702 WeakPolarHBondContact O-CG 2.93Å; I698-R702 PolarHBondContact O-N 2.89Å; V699-R702 PolarHBondContact O-N 3.17Å; V699-R702 VanDerWaalsContact O-N 3.08Å; D700-R702 VanDerWaalsContact C-N 3.34Å; D700-R702 PolarHBondContact O-N 3.43Å; R702-A704 VanDerWaalsContact C-N 3.34Å; R702-A704 PolarHBondContact O-N 3.26Å; R702-I705 WeakPolarHBondContact O-CB 3.33Å; R702-I705 PolarHBondContact O-N 2.87Å; R702-I705 VanDerWaalsContact O-N 3.11Å; R702-V706 PolarHBondContact O-N 3.05Å
703N85Confident82.4Confident82 Ų8265.1 Ų65.144%0.43932%0.324SS..Hα-helixtrans-60.1-43.8175.9-67.9-20.6000111.4V699 D700 I705 V706 E707V699-N703 VanDerWaalsContact O-CG 3.27Å; V699-N703 PolarHBondContact O-N 3.39Å; V699-N703 PolarHBondContact O-ND2 3.22Å; D700-N703 PolarHBondContact O-N 3.35Å; N703-I705 PolarHBondContact O-N 3.34Å; N703-V706 PolarHBondContact O-N 3.48Å; N703-E707 PolarHBondContact O-N 2.98Å
704A81.2Confident81.1Confident30 Ų3066.4 Ų66.425%0.24833%0.333CS..Hα-helixtrans-61.1-27.8175.800000113.6D700 R702 V708D700-A704 WeakPolarHBondContact O-CB 3.35Å; D700-A704 PolarHBondContact O-N 2.78Å; R702-A704 VanDerWaalsContact C-N 3.34Å; R702-A704 PolarHBondContact O-N 3.26Å; A704-V708 WeakPolarHBondContact O-CB 3.44Å; A704-V708 VanDerWaalsContact O-CG2 3.25Å; A704-V708 WeakPolarHBondContact O-CG2 3.49Å; A704-V708 PolarHBondContact O-N 3.17Å
705I80.6Confident80.1Confident4 Ų465.8 Ų65.82%0.02133%0.328CS..Hα-helixtrans-68.5-45.7172.3-64.7169.9000110.2F310 R654 T655 L658 G701 R702 N703 V708 L709F310-I705 HydrophobicContact CD2-CG1 4.13Å; F310-I705 HydrophobicContact CE1-CG1 4.48Å; F310-I705 HydrophobicContact CE2-CD1 3.68Å; F310-I705 HydrophobicContact CE2-CG1 3.18Å; F310-I705 HydrophobicContact CZ-CD1 3.71Å; F310-I705 HydrophobicContact CZ-CG1 3.38Å; R654-I705 HydrophobicContact CB-CD1 4.48Å; R654-I705 HydrophobicContact CG-CD1 4.24Å; T655-I705 WeakPolarHBondContact OG1-CD1 3.46Å; L658-I705 HydrophobicContact CD1-CD1 4.14Å; G701-I705 WeakPolarHBondContact O-CG1 3.43Å; R702-I705 WeakPolarHBondContact O-CB 3.33Å; R702-I705 PolarHBondContact O-N 2.87Å; R702-I705 VanDerWaalsContact O-N 3.11Å; N703-I705 PolarHBondContact O-N 3.34Å; I705-V708 PolarHBondContact O-N 3.43Å; I705-L709 HydrophobicContact CG2-CD1 3.64Å; I705-L709 HydrophobicContact CG2-CG 4.12Å; I705-L709 VanDerWaalsContact O-CB 3.23Å; I705-L709 WeakPolarHBondContact O-CB 3.21Å; I705-L709 VanDerWaalsContact O-CG 3.29Å; I705-L709 WeakPolarHBondContact O-CG 3.49Å; I705-L709 PolarHBondContact O-N 3.16Å
706V81.7Confident78.7Confident84 Ų8467 Ų6751%0.50933%0.333SS..Hα-helixtrans-62.9-47.7179.7-179.20000110.7R702 N703 V708 L709 D710R702-V706 PolarHBondContact O-N 3.05Å; N703-V706 PolarHBondContact O-N 3.48Å; V706-V708 PolarHBondContact O-N 3.22Å; V706-L709 PolarHBondContact O-N 3.3Å; V706-D710 PolarHBondContact O-N 3.38Å
707E79.6Confident77.3Confident137 Ų13766.1 Ų66.164%0.6433%0.334SS*.Hα-helixtrans-58-45.7177.7-70.4-179.1175.800112.6N703 D710 E711N703-E707 PolarHBondContact O-N 2.98Å; E707-D710 PolarHBondContact O-N 2.93Å; E707-E711 PolarHBondContact O-N 3.06Å
708V76.2Confident76Confident18 Ų1864.6 Ų64.611%0.10933%0.326CS..Hα-helixtrans-73.2-36.2-179.8176.80000111.7A306 Y651 A704 I705 V706 D710 E711 D712A306-V708 HydrophobicContact CB-CG2 4.44Å; Y651-V708 HydrophobicContact CE1-CG1 4.16Å; Y651-V708 WeakPolarHBondContact OH-CG1 3.36Å; A704-V708 WeakPolarHBondContact O-CB 3.44Å; A704-V708 VanDerWaalsContact O-CG2 3.25Å; A704-V708 WeakPolarHBondContact O-CG2 3.49Å; A704-V708 PolarHBondContact O-N 3.17Å; I705-V708 PolarHBondContact O-N 3.43Å; V706-V708 PolarHBondContact O-N 3.22Å; V708-D710 VanDerWaalsContact C-N 3.35Å; V708-E711 PolarHBondContact O-N 2.9Å; V708-D712 WeakPolarHBondContact O-CB 3.39Å; V708-D712 PolarHBondContact O-N 2.93Å
709L72.6Confident74.7Confident65 Ų6566.3 Ų66.334%0.3433%0.334SS..Hα-helixtrans-63.5-38.7173.2-82.1175000112.1Y651 I705 V706 R713Y651-L709 HydrophobicContact CD2-CD2 3.39Å; Y651-L709 HydrophobicContact CD2-CG 4.02Å; Y651-L709 HydrophobicContact CE2-CD2 3.92Å; Y651-L709 HydrophobicContact CG-CD2 4.14Å; Y651-L709 HydrophobicContact CG-CG 4.37Å; I705-L709 HydrophobicContact CG2-CD1 3.64Å; I705-L709 HydrophobicContact CG2-CG 4.12Å; I705-L709 VanDerWaalsContact O-CB 3.23Å; I705-L709 WeakPolarHBondContact O-CB 3.21Å; I705-L709 VanDerWaalsContact O-CG 3.29Å; I705-L709 WeakPolarHBondContact O-CG 3.49Å; I705-L709 PolarHBondContact O-N 3.16Å; V706-L709 PolarHBondContact O-N 3.3Å; L709-R713 WeakPolarHBondContact O-CB 3.45Å; L709-R713 PolarHBondContact O-N 2.75Å
710D73.5Confident73.4Confident77 Ų7764.7 Ų64.741%0.41232%0.324SS..Hα-helixtrans-75.2-37.1176.7-79.7-28.5000112.1V706 E707 V708 L714V706-D710 PolarHBondContact O-N 3.38Å; E707-D710 PolarHBondContact O-N 2.93Å; V708-D710 VanDerWaalsContact C-N 3.35Å; D710-L714 WeakPolarHBondContact O-CB 3.39Å; D710-L714 WeakPolarHBondContact O-CD1 3.21Å; D710-L714 VanDerWaalsContact O-CG 3.25Å; D710-L714 WeakPolarHBondContact O-CG 3.24Å; D710-L714 PolarHBondContact O-N 2.6Å
711E71.3Confident72.3Confident83 Ų8366.4 Ų66.439%0.38833%0.327SS..Hα-helixtrans-59.3-47.5169-83.3-157.9175.900111.6K302 E707 V708 R715K302-E711 IonicContact NZ-OE1 2.73Å; K302-E711 PolarHBondContact NZ-OE1 3.15Å; K302-E711 IonicContact NZ-OE2 2.73Å; K302-E711 PolarHBondContact NZ-OE2 3.25Å; E707-E711 PolarHBondContact O-N 3.06Å; V708-E711 PolarHBondContact O-N 2.9Å; E711-R715 PolarHBondContact O-N 3.23Å
712D67.5Low71Confident8 Ų866.9 Ų66.94%0.04333%0.327CS..Hα-helixtrans-65.9-50.8178.6-78.9-27.9000110.2R307 Y651 V708 L714 R715 E716R307-D712 IonicContact CZ-OD2 2.71Å; R307-D712 IonicContact NE-OD2 3.33Å; R307-D712 IonicContact NH2-OD1 3.12Å; R307-D712 PolarHBondContact NH2-OD1 3.35Å; R307-D712 IonicContact NH2-OD2 3.88Å; R307-D712 PolarHBondContact NH2-OD2 2.63Å; Y651-D712 PolarHBondContact OH-OD2 2.97Å; V708-D712 WeakPolarHBondContact O-CB 3.39Å; V708-D712 PolarHBondContact O-N 2.93Å; D712-L714 PolarHBondContact O-N 2.89Å; D712-R715 WeakPolarHBondContact O-CA 3.46Å; D712-R715 VanDerWaalsContact O-CB 3.32Å; D712-R715 WeakPolarHBondContact O-CB 3.48Å; D712-R715 PolarHBondContact O-N 3.37Å; D712-E716 VanDerWaalsContact O-CG 3.28Å; D712-E716 WeakPolarHBondContact O-CG 3.19Å; D712-E716 PolarHBondContact O-N 3.46Å
713R72.4Confident69.5Low166 Ų16664.7 Ų64.763%0.62632%0.321SS*.Hα-helixtrans-57.3-42.3179.8179.9-179.2-179.1176.42.4113.5L709 R715 E716 V717L709-R713 WeakPolarHBondContact O-CB 3.45Å; L709-R713 PolarHBondContact O-N 2.75Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R713-E716 PolarHBondContact O-N 3Å; R713-V717 WeakPolarHBondContact O-CG2 3.36Å; R713-V717 PolarHBondContact O-N 3.21Å; R713-V717 VanDerWaalsContact O-N 3.1Å
714L66.4Low68.4Low134 Ų13463 Ų6370%0.70231%0.312SS*.Hα-helixtrans-65.4-36.9177.9-75.7169.8000111.9D710 D712D710-L714 WeakPolarHBondContact O-CB 3.39Å; D710-L714 WeakPolarHBondContact O-CD1 3.21Å; D710-L714 VanDerWaalsContact O-CG 3.25Å; D710-L714 WeakPolarHBondContact O-CG 3.24Å; D710-L714 PolarHBondContact O-N 2.6Å; D712-L714 PolarHBondContact O-N 2.89Å
715R69.7Low67.4Low60 Ų6065 Ų6523%0.22632%0.315CS..Hα-helixtrans-65.8-52.9173.7-169.1-165.8-52.2-112.3-0.9110.9S299 T303 E711 D712 R713 V717 E718 E719S299-R715 PolarHBondContact OG-NH1 2.86Å; S299-R715 VanDerWaalsContact OG-NH1 3.16Å; T303-R715 PolarHBondContact OG1-NH2 3.33Å; E711-R715 PolarHBondContact O-N 3.23Å; D712-R715 WeakPolarHBondContact O-CA 3.46Å; D712-R715 VanDerWaalsContact O-CB 3.32Å; D712-R715 WeakPolarHBondContact O-CB 3.48Å; D712-R715 PolarHBondContact O-N 3.37Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R715-V717 VanDerWaalsContact C-N 3.34Å; R715-V717 PolarHBondContact O-N 2.95Å; R715-E718 PolarHBondContact O-N 3.11Å; R715-E718 VanDerWaalsContact O-N 3.11Å; R715-E719 WeakPolarHBondContact CD-OE1 3.36Å; R715-E719 HydrophobicContact CG-CG 4.41Å; R715-E719 WeakPolarHBondContact CG-OE1 3.47Å; R715-E719 WeakPolarHBondContact O-CG 3.11Å; R715-E719 PolarHBondContact O-N 3.14Å
716E64.3Low66.1Low54 Ų5465.5 Ų65.525%0.25232%0.317SS..Hα-helixtrans-57.9-41.7-176.6-69.3178.4-162.900113R644 D712 R713 E718 E719 D720R644-E716 VanDerWaalsContact CD-CD 3.41Å; R644-E716 WeakPolarHBondContact CD-OE2 3.2Å; R644-E716 VanDerWaalsContact CG-CD 3.43Å; R644-E716 HydrophobicContact CG-CG 3.94Å; R644-E716 VanDerWaalsContact CG-OE1 3.29Å; R644-E716 WeakPolarHBondContact CG-OE1 3.44Å; D712-E716 VanDerWaalsContact O-CG 3.28Å; D712-E716 WeakPolarHBondContact O-CG 3.19Å; D712-E716 PolarHBondContact O-N 3.46Å; R713-E716 PolarHBondContact O-N 3Å; E716-E718 VanDerWaalsContact C-N 3.34Å; E716-E718 PolarHBondContact O-N 2.86Å; E716-E719 PolarHBondContact O-N 2.89Å; E716-D720 WeakPolarHBondContact O-CB 3.28Å; E716-D720 PolarHBondContact O-N 3.49Å
717V62.1Low64.9Low92 Ų9263.9 Ų63.956%0.55831%0.305SS*.Hα-helixtrans-63.7-38.5177.91680000111.7R713 R715 K721R713-V717 WeakPolarHBondContact O-CG2 3.36Å; R713-V717 PolarHBondContact O-N 3.21Å; R713-V717 VanDerWaalsContact O-N 3.1Å; R715-V717 VanDerWaalsContact C-N 3.34Å; R715-V717 PolarHBondContact O-N 2.95Å; V717-K721 WeakPolarHBondContact O-CB 3.26Å; V717-K721 PolarHBondContact O-N 3.36Å; V717-K721 VanDerWaalsContact O-N 3.12Å
718E61.1Low64.1Low35 Ų3563.2 Ų63.216%0.16430%0.302CS..Hα-helixtrans-77.5-34.5178.1-171.369.7175.900111.8R109 R715 E716 K721 Q722R109-E718 IonicContact CZ-OE1 2.91Å; R109-E718 IonicContact NE-OE1 3.33Å; R109-E718 PolarHBondContact NE-OE1 3.43Å; R109-E718 VanDerWaalsContact NE-OE1 3.12Å; R109-E718 VanDerWaalsContact NH2-CD 3.26Å; R109-E718 IonicContact NH2-OE1 3.31Å; R109-E718 PolarHBondContact NH2-OE1 2.93Å; R109-E718 IonicContact NH2-OE2 2.67Å; R715-E718 PolarHBondContact O-N 3.11Å; R715-E718 VanDerWaalsContact O-N 3.11Å; E716-E718 VanDerWaalsContact C-N 3.34Å; E716-E718 PolarHBondContact O-N 2.86Å; E718-K721 IonicContact OE1-NZ 2.66Å; E718-K721 WeakPolarHBondContact OE2-CD 3.42Å; E718-K721 WeakPolarHBondContact OE2-CE 3.49Å; E718-K721 IonicContact OE2-NZ 3.2Å; E718-K721 PolarHBondContact OE2-NZ 3.16Å; E718-Q722 WeakPolarHBondContact O-CB 3.27Å; E718-Q722 VanDerWaalsContact O-CG 3.23Å; E718-Q722 WeakPolarHBondContact O-CG 3.35Å; E718-Q722 PolarHBondContact O-N 3.33Å; E718-Q722 PolarHBondContact O-NE2 3.14Å
719E60.1Low63.2Low44 Ų4465 Ų6521%0.20631%0.311CS..Hα-helixtrans-60.4-53.1170.3-74.5176.8-177.100111.9R644 R715 E716 K721 Q722 L723R644-E719 IonicContact CZ-OE2 2.67Å; R644-E719 IonicContact NE-OE2 3.67Å; R644-E719 IonicContact NH2-OE2 3.18Å; R644-E719 PolarHBondContact NH2-OE2 3.31Å; R715-E719 WeakPolarHBondContact CD-OE1 3.36Å; R715-E719 HydrophobicContact CG-CG 4.41Å; R715-E719 WeakPolarHBondContact CG-OE1 3.47Å; R715-E719 WeakPolarHBondContact O-CG 3.11Å; R715-E719 PolarHBondContact O-N 3.14Å; E716-E719 PolarHBondContact O-N 2.89Å; E719-K721 VanDerWaalsContact C-N 3.31Å; E719-K721 PolarHBondContact O-N 3.08Å; E719-Q722 WeakPolarHBondContact O-CB 3.44Å; E719-Q722 PolarHBondContact O-N 3.29Å; E719-L723 WeakPolarHBondContact O-CB 3.26Å; E719-L723 PolarHBondContact O-N 2.9Å
720D61.4Low62.2Low24 Ų2463.6 Ų63.613%0.12830%0.304CS..Hα-helixtrans-66.7-35.6-178.1-112.156.5000111.2R637 R644 E716 L723 N724R637-D720 IonicContact CZ-OD2 3.76Å; R637-D720 VanDerWaalsContact CZ-OD2 3.31Å; R637-D720 IonicContact NE-OD2 2.69Å; R637-D720 PolarHBondContact NE-OD2 3.21Å; R637-D720 IonicContact NH2-OD2 2.97Å; R637-D720 PolarHBondContact NH2-OD2 3.14Å; R644-D720 IonicContact CZ-OD1 3.85Å; R644-D720 IonicContact NH1-OD1 2.7Å; R644-D720 PolarHBondContact NH1-OD1 2.92Å; R644-D720 IonicContact NH2-OD1 3.5Å; R644-D720 PolarHBondContact NH2-OD1 3.09Å; E716-D720 WeakPolarHBondContact O-CB 3.28Å; E716-D720 PolarHBondContact O-N 3.49Å; D720-L723 PolarHBondContact O-N 3.03Å; D720-N724 VanDerWaalsContact O-CB 3.28Å; D720-N724 WeakPolarHBondContact O-CB 3.46Å; D720-N724 PolarHBondContact O-N 2.85Å; D720-N724 PolarHBondContact O-ND2 3.32Å
721K62.2Low61Low114 Ų11462.1 Ų62.150%0.49631%0.306SS..Hα-helixtrans-63.5-40.9173.6174.1176.6155.5-153.70112.2V717 E718 E719 K725V717-K721 WeakPolarHBondContact O-CB 3.26Å; V717-K721 PolarHBondContact O-N 3.36Å; V717-K721 VanDerWaalsContact O-N 3.12Å; E718-K721 IonicContact OE1-NZ 2.66Å; E718-K721 WeakPolarHBondContact OE2-CD 3.42Å; E718-K721 WeakPolarHBondContact OE2-CE 3.49Å; E718-K721 IonicContact OE2-NZ 3.2Å; E718-K721 PolarHBondContact OE2-NZ 3.16Å; E719-K721 VanDerWaalsContact C-N 3.31Å; E719-K721 PolarHBondContact O-N 3.08Å; K721-K725 WeakPolarHBondContact O-CB 2.91Å; K721-K725 PolarHBondContact O-N 3.14Å; K721-K725 VanDerWaalsContact O-N 3.17Å
722Q54.9Low59.7Low18 Ų1862.2 Ų62.28%0.08431%0.312CS..Hα-helixtrans-63.2-49172.1-77.3173.968.500111.6N104 E718 E719 K725 M726N104-Q722 HydrophobicContact CB-CB 3.77Å; N104-Q722 HydrophobicContact CB-CG 4.23Å; E718-Q722 WeakPolarHBondContact O-CB 3.27Å; E718-Q722 VanDerWaalsContact O-CG 3.23Å; E718-Q722 WeakPolarHBondContact O-CG 3.35Å; E718-Q722 PolarHBondContact O-N 3.33Å; E718-Q722 PolarHBondContact O-NE2 3.14Å; E719-Q722 WeakPolarHBondContact O-CB 3.44Å; E719-Q722 PolarHBondContact O-N 3.29Å; Q722-K725 WeakPolarHBondContact O-CB 3.5Å; Q722-K725 PolarHBondContact O-N 3.45Å; Q722-M726 PolarHBondContact O-N 3.29Å
723L55.8Low58.7Low30 Ų3066.5 Ų66.516%0.15733%0.331CS..Hα-helixtrans-69.5-40.8-175.9-172.353.9000112.7F633 R637 E719 D720 K725 M726 M727F633-L723 HydrophobicContact CB-CD1 4.5Å; R637-L723 HydrophobicContact CB-CD2 3.7Å; R637-L723 HydrophobicContact CG-CD2 3.88Å; E719-L723 WeakPolarHBondContact O-CB 3.26Å; E719-L723 PolarHBondContact O-N 2.9Å; D720-L723 PolarHBondContact O-N 3.03Å; L723-K725 VanDerWaalsContact C-N 3.27Å; L723-K725 PolarHBondContact O-N 2.97Å; L723-M726 HydrophobicContact CD1-CB 4.46Å; L723-M726 HydrophobicContact CD1-CE 3.67Å; L723-M726 HydrophobicContact CD1-SD 4.43Å; L723-M726 VanDerWaalsContact O-CB 3.22Å; L723-M726 WeakPolarHBondContact O-CB 3.36Å; L723-M726 PolarHBondContact O-N 2.79Å; L723-M726 VanDerWaalsContact O-N 3.13Å; L723-M727 WeakPolarHBondContact O-CG 3.39Å; L723-M727 PolarHBondContact O-N 2.7Å; L723-M727 VanDerWaalsContact O-N 3.07Å
724N62.5Low57.5Low45 Ų4567.4 Ų67.424%0.24134%0.339CS..Hα-helixtrans-62.5-34.6171.8-76.9-74000111.7R637 D720 M727 Q728R637-N724 PolarHBondContact NH1-OD1 2.85Å; R637-N724 PolarHBondContact NH2-ND2 3.38Å; R637-N724 PolarHBondContact NH2-OD1 3.5Å; D720-N724 VanDerWaalsContact O-CB 3.28Å; D720-N724 WeakPolarHBondContact O-CB 3.46Å; D720-N724 PolarHBondContact O-N 2.85Å; D720-N724 PolarHBondContact O-ND2 3.32Å; N724-M727 PolarHBondContact O-N 3.09Å; N724-M727 WeakPolarHBondContact OD1-CE 3.36Å; N724-Q728 WeakPolarHBondContact O-CG 3.47Å; N724-Q728 PolarHBondContact O-N 3.29Å; N724-Q728 VanDerWaalsContact O-N 3.15Å
725K60.3Low56.3Low74 Ų7465.4 Ų65.432%0.32234%0.336SS..Hα-helixtrans-66.1-39.5172.9-162.8175.6-163.3172.40111.6K107 G108 K721 Q722 L723 M727 Q728 D729K107-K725 PolarHBondContact O-NZ 3.21Å; G108-K725 PolarHBondContact O-NZ 2.87Å; K721-K725 WeakPolarHBondContact O-CB 2.91Å; K721-K725 PolarHBondContact O-N 3.14Å; K721-K725 VanDerWaalsContact O-N 3.17Å; Q722-K725 WeakPolarHBondContact O-CB 3.5Å; Q722-K725 PolarHBondContact O-N 3.45Å; L723-K725 VanDerWaalsContact C-N 3.27Å; L723-K725 PolarHBondContact O-N 2.97Å; K725-M727 PolarHBondContact O-N 2.67Å; K725-Q728 PolarHBondContact O-N 3.48Å; K725-D729 PolarHBondContact O-N 3.12Å
726M51.9Low55.2Low13 Ų1370.8 Ų70.86%0.06436%0.361CS..Hα-helixtrans-54.7-53.8172.6-154.7-151.7-69.600111.1S100 N104 F633 Q722 L723 Q728 D729 L730S100-M726 VanDerWaalsContact OG-CE 3.27Å; S100-M726 WeakPolarHBondContact OG-CE 3.41Å; N104-M726 WeakPolarHBondContact ND2-CB 3.49Å; N104-M726 WeakPolarHBondContact ND2-CE 3.34Å; N104-M726 WeakPolarHBondContact ND2-CG 3.29Å; N104-M726 WeakPolarHBondContact OD1-CA 3.13Å; N104-M726 WeakPolarHBondContact OD1-CB 3.3Å; N104-M726 VanDerWaalsContact OD1-CG 3.3Å; N104-M726 WeakPolarHBondContact OD1-CG 3.35Å; F633-M726 HydrophobicContact CD1-CE 3.77Å; F633-M726 HydrophobicContact CD1-SD 4.01Å; F633-M726 HydrophobicContact CD2-CE 4.34Å; F633-M726 HydrophobicContact CD2-SD 3.47Å; F633-M726 WeakPolarHBondContact CD2-SD 3.48Å; F633-M726 HydrophobicContact CE1-CE 3.65Å; F633-M726 HydrophobicContact CE1-SD 3.97Å; F633-M726 HydrophobicContact CE2-CE 4.24Å; F633-M726 HydrophobicContact CE2-SD 3.43Å; F633-M726 WeakPolarHBondContact CE2-SD 3.38Å; F633-M726 HydrophobicContact CG-CE 4.13Å; F633-M726 HydrophobicContact CG-SD 3.79Å; F633-M726 HydrophobicContact CZ-CE 3.9Å; F633-M726 HydrophobicContact CZ-SD 3.68Å; Q722-M726 PolarHBondContact O-N 3.29Å; L723-M726 HydrophobicContact CD1-CB 4.46Å; L723-M726 HydrophobicContact CD1-CE 3.67Å; L723-M726 HydrophobicContact CD1-SD 4.43Å; L723-M726 VanDerWaalsContact O-CB 3.22Å; L723-M726 WeakPolarHBondContact O-CB 3.36Å; L723-M726 PolarHBondContact O-N 2.79Å; L723-M726 VanDerWaalsContact O-N 3.13Å; M726-Q728 PolarHBondContact O-N 2.89Å; M726-D729 PolarHBondContact O-N 3.25Å; M726-D729 VanDerWaalsContact O-N 3.15Å; M726-L730 HydrophobicContact CG-CD1 3.93Å; M726-L730 HydrophobicContact CG-CG 4.45Å; M726-L730 WeakPolarHBondContact O-CB 3.14Å; M726-L730 WeakPolarHBondContact O-CG 2.71Å; M726-L730 PolarHBondContact O-N 3.46Å; M726-L730 HydrophobicContact SD-CD1 3.85Å
727M57.8Low54Low50 Ų5074.5 Ų74.525%0.24639%0.388CS..Hα-helixtrans-59.6-35.7-178.2-62-166-52.700112.4N634 L723 N724 K725 G731N634-M727 PolarHBondContact OD1-SD 2.64Å; L723-M727 WeakPolarHBondContact O-CG 3.39Å; L723-M727 PolarHBondContact O-N 2.7Å; L723-M727 VanDerWaalsContact O-N 3.07Å; N724-M727 PolarHBondContact O-N 3.09Å; N724-M727 WeakPolarHBondContact OD1-CE 3.36Å; K725-M727 PolarHBondContact O-N 2.67Å; M727-G731 PolarHBondContact O-N 2.92Å
728Q62.1Low52.9Low124 Ų12480 Ų8058%0.57940%0.404SS*.Hα-helixtrans-69.3-48.1174.6-68.8173.53200111.8N724 K725 M726 L730 G731 V732N724-Q728 WeakPolarHBondContact O-CG 3.47Å; N724-Q728 PolarHBondContact O-N 3.29Å; N724-Q728 VanDerWaalsContact O-N 3.15Å; K725-Q728 PolarHBondContact O-N 3.48Å; M726-Q728 PolarHBondContact O-N 2.89Å; Q728-L730 PolarHBondContact O-N 2.9Å; Q728-G731 PolarHBondContact O-N 3.5Å; Q728-V732 VanDerWaalsContact O-CB 3.26Å; Q728-V732 WeakPolarHBondContact O-CB 3.17Å; Q728-V732 WeakPolarHBondContact O-CG2 3.4Å; Q728-V732 PolarHBondContact O-N 3.43Å
729D57.4Low51.9Low55 Ų5589.8 Ų89.829%0.29444%0.439SS..Hα-helixtrans-62.2-25176.6-101.129.4000112.8Y103 K725 M726 K733Y103-D729 WeakPolarHBondContact CE1-OD2 3.24Å; Y103-D729 PolarHBondContact OH-OD2 3.4Å; K725-D729 PolarHBondContact O-N 3.12Å; M726-D729 PolarHBondContact O-N 3.25Å; M726-D729 VanDerWaalsContact O-N 3.15Å; D729-K733 VanDerWaalsContact O-CD 3.28Å; D729-K733 WeakPolarHBondContact O-CD 3.48Å; D729-K733 WeakPolarHBondContact O-CE 3.16Å; D729-K733 PolarHBondContact O-NZ 3.14Å
730L52.3Low50.9Low36 Ų3697.1 Ų97.119%0.18847%0.471CS..Hα-helixtrans-81.4-54.8172.9-66.2170.7000111.4A3 V630 F633 M726 Q728 K733A3-L730 HydrophobicContact CB-CD2 3.26Å; V630-L730 HydrophobicContact CG2-CD1 4.27Å; F633-L730 HydrophobicContact CD2-CD1 4.22Å; F633-L730 HydrophobicContact CE2-CD1 4.42Å; M726-L730 HydrophobicContact CG-CD1 3.93Å; M726-L730 HydrophobicContact CG-CG 4.45Å; M726-L730 WeakPolarHBondContact O-CB 3.14Å; M726-L730 WeakPolarHBondContact O-CG 2.71Å; M726-L730 PolarHBondContact O-N 3.46Å; M726-L730 HydrophobicContact SD-CD1 3.85Å; Q728-L730 PolarHBondContact O-N 2.9Å; L730-K733 PolarHBondContact O-N 3.27Å
731G46.9Very low49.8Very low45 Ų45100.8 Ų100.846%0.46450%0.498SS..Hα-helixtrans-66.7-39.2-174.800000114.5M727 Q728 K733 K734M727-G731 PolarHBondContact O-N 2.92Å; Q728-G731 PolarHBondContact O-N 3.5Å; G731-K733 PolarHBondContact O-N 3.2Å; G731-K733 VanDerWaalsContact O-N 3.12Å; G731-K734 PolarHBondContact O-N 3.45Å
732V44.5Very low48.7Very low85 Ų85101 Ų10152%0.51551%0.514SS..G310 helixtrans-64.4-20.1-176.6171.30000112.7Q728 K734Q728-V732 VanDerWaalsContact O-CB 3.26Å; Q728-V732 WeakPolarHBondContact O-CB 3.17Å; Q728-V732 WeakPolarHBondContact O-CG2 3.4Å; Q728-V732 PolarHBondContact O-N 3.43Å; V732-K734 PolarHBondContact O-N 3.11Å
733K46.1Very low48.3Very low99 Ų99107.8 Ų107.843%0.4355%0.549SS..G310 helixtrans-68.4-16.7178.1-70.8169.3-178.7134.20113.9D729 L730 G731 S735D729-K733 VanDerWaalsContact O-CD 3.28Å; D729-K733 WeakPolarHBondContact O-CD 3.48Å; D729-K733 WeakPolarHBondContact O-CE 3.16Å; D729-K733 PolarHBondContact O-NZ 3.14Å; L730-K733 PolarHBondContact O-N 3.27Å; G731-K733 PolarHBondContact O-N 3.2Å; G731-K733 VanDerWaalsContact O-N 3.12Å; K733-S735 PolarHBondContact O-N 3.21Å
734K48.5Very low47.5Very low185 Ų185111.6 Ų111.680%0.80458%0.578SS**G310 helixtrans-77.4-8-179.7-77.2-175.5174.9176.90115.5G731 V732G731-K734 PolarHBondContact O-N 3.45Å; V732-K734 PolarHBondContact O-N 3.11Å
735S40.7Very low46.7Very low91 Ų91119.2 Ų119.264%0.63661%0.61SS**SBendtrans-123.55.4-16964.60000117.7K733K733-S735 PolarHBondContact O-N 3.21Å
736K45.3Very low46Very low174 Ų174123.1 Ų123.176%0.75763%0.632SS**  trans-128.150.1-173.4-70.6-175.1179.5172.50116.1
737T39Very low45.5Very low132 Ų132132.2 Ų132.281%0.8167%0.672SS**  trans-119.624.5169.241.40000115R739T737-R739 PolarHBondContact O-N 3.25Å; T737-R739 VanDerWaalsContact O-N 3.11Å
738K39.5Very low44.9Very low208 Ų208139.9 Ų139.990%0.90470%0.704SS**  trans-77.191.3158.6-111.1-179.2179.8176.30109.8K740K738-K740 PolarHBondContact O-N 3.21Å
739R39.7Very low43.9Very low239 Ų239145.6 Ų145.690%0.90272%0.72SS**  trans-52.7119.3168.7-83.1178.7165.5170-5.4109.2T737 S741T737-R739 PolarHBondContact O-N 3.25Å; T737-R739 VanDerWaalsContact O-N 3.11Å; R739-S741 PolarHBondContact O-N 2.95Å
740K40.5Very low43Very low198 Ų198155.2 Ų155.286%0.86175%0.752SS**  trans-76.2100.9159.7-72.7-174177.6-177.90107.4K738 S742K738-K740 PolarHBondContact O-N 3.21Å; K740-S742 PolarHBondContact O-N 3.15Å
741S37.4Very low42.3Very low101 Ų101159.4 Ų159.471%0.70679%0.785SS**  trans-67.5109.5175.3360000110.3R739 I743R739-S741 PolarHBondContact O-N 2.95Å; S741-I743 PolarHBondContact O-N 2.86Å
742S40.2Very low42.1Very low119 Ų119167.1 Ų167.183%0.83281%0.806SS**  trans-8062.4177.4-62.60000112.3K740K740-S742 PolarHBondContact O-N 3.15Å
743I44.8Very low41.9Very low160 Ų160174.5 Ų174.582%0.82182%0.824SS**  trans-121.877.1174.1-53.4-178000108.9S741S741-I743 PolarHBondContact O-N 2.86Å
744S40.8Very low41.8Very low110 Ų110180.8 Ų180.877%0.76985%0.845SS**  trans-156.530.817856.70000113.8
745K44.5Very low41.5Very low206 Ų206178 Ų17890%0.89684%0.843SS**SBendtrans-126.55.3178.1-80.2-168174.1-176.90116.1
746I46.4Very low41.5Very low156 Ų156186 Ų18680%0.887%0.871SS**SBendtrans-122.793.1170.6-58177.1000108
747F40.1Very low41.3Very low203 Ų203186.7 Ų186.789%0.8988%0.877SS**  trans166.664.8151.6-90-58.7000110.4
748K45.9Very low41.4Very low212 Ų212189.5 Ų189.592%0.92288%0.88SS**  trans-134.862167.4-88.7-164.2172.5-174.50111
749R41.4Very low41.5Very low244 Ų244188.5 Ų188.592%0.92188%0.879SS**  trans-162.760173.1-121.3176.4-166.9-165.43.7116.1
750R39.1Very low41.6Very low256 Ų256185.5 Ų185.597%0.96688%0.877SS**  trans-174.6105.1144.4-109.4172.1177.1177.4-1.7112.2
751S37.6Very low41.7Very low125 Ų125184.8 Ų184.887%0.87488%0.878SS**  trans-160.684.9154.7-176.40000108.7
752K41.7Very low42Very low207 Ų207190.3 Ų190.390%0.989%0.89SS**  trans-166.990.4162.6-146.2172-173.2177.80113.2
753R41.5Very low42.1Very low240 Ų240195.4 Ų195.491%0.90689%0.894SS**  trans-176110150.4-97.4171.1-166.1-151.41.3102.5
754R43.3Very low41.9Very low230 Ų230198.2 Ų198.287%0.86890%0.9SS**  48.5110.179.4-80.7-165.6172.7-172.9-3.1110.1
755V41.6Very low42Very low126 Ų126205.5 Ų205.576%0.76491%0.91SS**  60.4110.383.9173.70000106.9
756E41.3Very low41.8Very low261 Ų261205.5 Ų205.5100%1.2291%0.912SS**  cis-102.4035.4-69.3149.7144.100117

Retrieved 756 of 756 residues in 1340.1 ms (Link to these results)

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