A0A087YAF7_POEFO Loading...

Telomeric repeat binding factor 2

AlphaFold DB , UniProt , Accession A0A087YAF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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
1M43.9Very low60.2Low249 Ų249115.7 Ų115.7100%1.22766%0.662SS**  0102.30-63.2172.5-17800108.6
2A50.8Low62.5Low87 Ų87110.8 Ų110.872%0.71964%0.635SS**  trans-138.7-32-17600000114.8N4 K5A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 2.78Å; A2-K5 PolarHBondContact O-N 2.99Å
3A53.5Low64.7Low71 Ų71112.1 Ų112.159%0.58763%0.629SS**THydrogen-bonded Turntrans-58.6-34.5-17200000115.2K5 S6A3-K5 PolarHBondContact O-N 3.05Å; A3-S6 PolarHBondContact O-OG 3.16Å; A3-S6 VanDerWaalsContact O-OG 3.1Å
4N55.2Low66.7Low145 Ų145110.7 Ų110.778%0.77562%0.624SS**Hα-helixtrans-72.5-10.4-173.9-61.126.9000113.9A2A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 2.78Å
5K52.5Low68.5Low167 Ų167106.8 Ų106.873%0.72660%0.599SS**Hα-helixtrans-85.3-29.5-175.3-138.7174.5-173.5-179.90113.2A2 A3 I9A2-K5 PolarHBondContact O-N 2.99Å; A3-K5 PolarHBondContact O-N 3.05Å; K5-I9 WeakPolarHBondContact O-CD1 3.49Å; K5-I9 WeakPolarHBondContact O-CG1 3.22Å
6S57.4Low70.2Confident80 Ų80103.9 Ų103.956%0.55958%0.579SS**Hα-helixtrans-74.3-43.9179.650.60000112.8A3 N8 I9 G10A3-S6 PolarHBondContact O-OG 3.16Å; A3-S6 VanDerWaalsContact O-OG 3.1Å; S6-N8 VanDerWaalsContact C-N 3.33Å; S6-N8 PolarHBondContact O-N 3.49Å; S6-I9 PolarHBondContact O-N 3.41Å; S6-G10 PolarHBondContact O-N 2.94Å
7V58.5Low71.6Confident104 Ų104100.2 Ų100.263%0.6356%0.559SS**Hα-helixtrans-59.1-43.9-179.7-1770000111.4I9 G10 Q11V7-I9 PolarHBondContact O-N 2.97Å; V7-G10 PolarHBondContact O-N 3.16Å; V7-G10 VanDerWaalsContact O-N 3.16Å; V7-Q11 PolarHBondContact O-N 3.04Å
8N63Low72.9Confident96 Ų9697.8 Ų97.851%0.51355%0.547SS..Hα-helixtrans-64.7-39.7-179.6-162.4-10.9000112.1S6 G10 Q11 V12S6-N8 VanDerWaalsContact C-N 3.33Å; S6-N8 PolarHBondContact O-N 3.49Å; N8-G10 VanDerWaalsContact C-N 3.27Å; N8-G10 PolarHBondContact O-N 3.39Å; N8-Q11 PolarHBondContact O-N 2.87Å; N8-Q11 VanDerWaalsContact O-N 3.17Å; N8-V12 WeakPolarHBondContact O-CG2 3.41Å; N8-V12 PolarHBondContact O-N 2.86Å
9I65.9Low74.1Confident101 Ų10193.3 Ų93.352%0.51852%0.522SS..Hα-helixtrans-61.8-35.4174.5-66.4165.3000111.5K5 S6 V7 K13K5-I9 WeakPolarHBondContact O-CD1 3.49Å; K5-I9 WeakPolarHBondContact O-CG1 3.22Å; S6-I9 PolarHBondContact O-N 3.41Å; V7-I9 PolarHBondContact O-N 2.97Å; I9-K13 HydrophobicContact CG2-CD 4.49Å; I9-K13 WeakPolarHBondContact O-CG 3.33Å; I9-K13 PolarHBondContact O-N 3.44Å
10G79.6Confident75.1Confident38 Ų3890.4 Ų90.439%0.39250%0.503SS..Hα-helixtrans-65.4-47.1172.500000112.3S6 V7 N8 K13 V14S6-G10 PolarHBondContact O-N 2.94Å; V7-G10 PolarHBondContact O-N 3.16Å; V7-G10 VanDerWaalsContact O-N 3.16Å; N8-G10 VanDerWaalsContact C-N 3.27Å; N8-G10 PolarHBondContact O-N 3.39Å; G10-K13 PolarHBondContact O-N 2.97Å; G10-V14 WeakPolarHBondContact O-CG2 3.28Å; G10-V14 PolarHBondContact O-N 2.69Å; G10-V14 VanDerWaalsContact O-N 3.1Å
11Q82.1Confident76.1Confident135 Ų13589.6 Ų89.663%0.63149%0.492SS*.Hα-helixtrans-65.8-43.6-177.5-172.2169.9-500113V7 N8 K13 V14 E15V7-Q11 PolarHBondContact O-N 3.04Å; N8-Q11 PolarHBondContact O-N 2.87Å; N8-Q11 VanDerWaalsContact O-N 3.17Å; Q11-K13 VanDerWaalsContact C-N 3.34Å; Q11-K13 PolarHBondContact O-N 3.22Å; Q11-V14 PolarHBondContact O-N 3.18Å; Q11-E15 PolarHBondContact O-N 3.4Å
12V87.2Confident78.5Confident56 Ų5679.9 Ų79.934%0.33945%0.445SS..Hα-helixtrans-62.7-40177.4174.20000111.5N8 V14 E15 E16N8-V12 WeakPolarHBondContact O-CG2 3.41Å; N8-V12 PolarHBondContact O-N 2.86Å; V12-V14 PolarHBondContact O-N 3.05Å; V12-E15 WeakPolarHBondContact O-CB 3.38Å; V12-E15 PolarHBondContact O-N 3.22Å; V12-E16 WeakPolarHBondContact O-CG 3.36Å; V12-E16 PolarHBondContact O-N 3.16Å
13K90.9Very high80.6Confident128 Ų12875.9 Ų75.956%0.55741%0.411SS*.Hα-helixtrans-66.5-35.4175.9-74.4-176.6174.1-165.50113.2I9 G10 Q11 E15 E16 V17I9-K13 HydrophobicContact CG2-CD 4.49Å; I9-K13 WeakPolarHBondContact O-CG 3.33Å; I9-K13 PolarHBondContact O-N 3.44Å; G10-K13 PolarHBondContact O-N 2.97Å; Q11-K13 VanDerWaalsContact C-N 3.34Å; Q11-K13 PolarHBondContact O-N 3.22Å; K13-E15 VanDerWaalsContact C-N 3.34Å; K13-E16 PolarHBondContact O-N 3.22Å; K13-V17 WeakPolarHBondContact O-CG2 3.43Å; K13-V17 PolarHBondContact O-N 3.33Å; K13-V17 VanDerWaalsContact O-N 3.13Å
14V93.3Very high82.5Confident93 Ų9374.2 Ų74.256%0.56439%0.392SS*.Hα-helixtrans-67-38.5172.7171.70000110.6G10 Q11 V12 V17 V18G10-V14 WeakPolarHBondContact O-CG2 3.28Å; G10-V14 PolarHBondContact O-N 2.69Å; G10-V14 VanDerWaalsContact O-N 3.1Å; Q11-V14 PolarHBondContact O-N 3.18Å; V12-V14 PolarHBondContact O-N 3.05Å; V14-V17 PolarHBondContact O-N 2.88Å; V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 WeakPolarHBondContact O-CB 3.43Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.39Å
15E94.3Very high84.4Confident52 Ų5270.6 Ų70.624%0.24337%0.368CS..Hα-helixtrans-62.5-45.3173177.8170.5171.500112.1Q11 V12 K13 V17 V18 N19 R55 P56Q11-E15 PolarHBondContact O-N 3.4Å; V12-E15 WeakPolarHBondContact O-CB 3.38Å; V12-E15 PolarHBondContact O-N 3.22Å; K13-E15 VanDerWaalsContact C-N 3.34Å; E15-V17 VanDerWaalsContact C-N 3.35Å; E15-V17 PolarHBondContact O-N 2.85Å; E15-V18 PolarHBondContact O-N 2.91Å; E15-N19 WeakPolarHBondContact CG-ND2 3.43Å; E15-N19 WeakPolarHBondContact O-CB 3.43Å; E15-N19 VanDerWaalsContact O-CG 3.23Å; E15-N19 PolarHBondContact O-N 3.26Å; E15-N19 PolarHBondContact O-ND2 3.43Å; E15-N19 PolarHBondContact OE1-ND2 3.1Å; E15-R55 IonicContact OE1-CZ 3.41Å; E15-R55 IonicContact OE1-NE 2.68Å; E15-R55 PolarHBondContact OE1-NE 3.29Å; E15-R55 IonicContact OE1-NH2 2.67Å; E15-R55 PolarHBondContact OE1-NH2 3.38Å; E15-R55 IonicContact OE2-NH2 3.12Å; E15-P56 HydrophobicContact CG-CG 4.25Å
16E94.3Very high86.5Confident61 Ų6165.1 Ų65.129%0.28534%0.343SS..Hα-helixtrans-55.5-46.2175.3-75.3169.3171.600112.4V12 K13 R20 P56 E58V12-E16 WeakPolarHBondContact O-CG 3.36Å; V12-E16 PolarHBondContact O-N 3.16Å; K13-E16 PolarHBondContact O-N 3.22Å; E16-R20 PolarHBondContact O-N 2.86Å; E16-R20 VanDerWaalsContact O-N 3.08Å; E16-P56 HydrophobicContact CG-CB 3.91Å; E16-E58 HydrophobicContact CB-CB 4.12Å; E16-E58 WeakPolarHBondContact O-CB 3.13Å; E16-E58 PolarHBondContact O-N 3.45Å
17V94.6Very high88.3Confident40 Ų4061.9 Ų61.924%0.24232%0.318CS..Hα-helixtrans-61.9-48177170.20000111.3K13 V14 E15 R20 W21 E58K13-V17 WeakPolarHBondContact O-CG2 3.43Å; K13-V17 PolarHBondContact O-N 3.33Å; K13-V17 VanDerWaalsContact O-N 3.13Å; V14-V17 PolarHBondContact O-N 2.88Å; E15-V17 VanDerWaalsContact C-N 3.35Å; E15-V17 PolarHBondContact O-N 2.85Å; V17-R20 PolarHBondContact O-N 3.36Å; V17-W21 HydrophobicContact CG1-CD2 4.03Å; V17-W21 HydrophobicContact CG1-CE3 4.18Å; V17-W21 HydrophobicContact CG1-CH2 3.73Å; V17-W21 HydrophobicContact CG1-CZ2 3.55Å; V17-W21 HydrophobicContact CG1-CZ3 4.03Å; V17-W21 PolarHBondContact O-N 2.62Å; V17-W21 VanDerWaalsContact O-N 3.11Å; V17-E58 WeakPolarHBondContact CA-OE2 3.38Å; V17-E58 WeakPolarHBondContact CG2-OE2 3.43Å
18V95.6Very high90Very high57 Ų5758.5 Ų58.535%0.34530%0.3SS..Hα-helixtrans-68.1-43.3-177.5168.80000110.9V14 E15 R20 W21 L22V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 WeakPolarHBondContact O-CB 3.43Å; V14-V18 VanDerWaalsContact O-CG2 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-V18 PolarHBondContact O-N 3.39Å; E15-V18 PolarHBondContact O-N 2.91Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3Å; V18-W21 HydrophobicContact CG2-CE3 4.33Å; V18-W21 HydrophobicContact CG2-CZ3 4.46Å; V18-W21 PolarHBondContact O-N 3.41Å; V18-W21 VanDerWaalsContact O-N 3.12Å; V18-L22 HydrophobicContact CG1-CD1 4.3Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 2.79Å
19N95Very high91.5Very high12 Ų1255.9 Ų55.96%0.06429%0.285CS..Hα-helixtrans-64.4-37.8177.7-68.4-22.9000111.4E15 L22 V23 V52 R55 P56 I57E15-N19 WeakPolarHBondContact CG-ND2 3.43Å; E15-N19 WeakPolarHBondContact O-CB 3.43Å; E15-N19 VanDerWaalsContact O-CG 3.23Å; E15-N19 PolarHBondContact O-N 3.26Å; E15-N19 PolarHBondContact O-ND2 3.43Å; E15-N19 PolarHBondContact OE1-ND2 3.1Å; N19-L22 PolarHBondContact O-N 3.08Å; N19-V23 VanDerWaalsContact O-CG2 3.26Å; N19-V23 WeakPolarHBondContact O-CG2 3.25Å; N19-V23 PolarHBondContact O-N 2.99Å; N19-V52 HydrophobicContact CB-CG1 4.41Å; N19-R55 VanDerWaalsContact ND2-CB 3.35Å; N19-R55 WeakPolarHBondContact ND2-CB 3.41Å; N19-P56 WeakPolarHBondContact CB-O 3.37Å; N19-P56 PolarHBondContact ND2-O 3.19Å; N19-I57 HydrophobicContact CB-CG1 3.72Å
20R94.9Very high92.9Very high36 Ų3651.1 Ų51.114%0.13626%0.261CS..Hα-helixtrans-57-51.2169.1-178.1-167.960-148.1-26.7110.9E16 V17 V18 L22 V23 E24 I57 E58 V60 M63E16-R20 PolarHBondContact O-N 2.86Å; E16-R20 VanDerWaalsContact O-N 3.08Å; V17-R20 PolarHBondContact O-N 3.36Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 3Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.18Å; R20-V23 PolarHBondContact O-N 3.42Å; R20-V23 VanDerWaalsContact O-N 3.13Å; R20-E24 HydrophobicContact CG-CG 4.37Å; R20-E24 WeakPolarHBondContact O-CG 3.44Å; R20-E24 PolarHBondContact O-N 3.27Å; R20-I57 HydrophobicContact CB-CG2 4.17Å; R20-E58 HydrophobicContact CB-CB 4.17Å; R20-E58 VanDerWaalsContact CZ-CD 3.43Å; R20-E58 IonicContact CZ-OE1 3.54Å; R20-E58 IonicContact CZ-OE2 2.99Å; R20-E58 IonicContact NE-OE2 3.89Å; R20-E58 IonicContact NH1-OE1 2.72Å; R20-E58 PolarHBondContact NH1-OE1 2.97Å; R20-E58 IonicContact NH1-OE2 3.03Å; R20-E58 PolarHBondContact NH1-OE2 3.07Å; R20-E58 IonicContact NH2-OE1 3.69Å; R20-E58 IonicContact NH2-OE2 2.68Å; R20-E58 PolarHBondContact NH2-OE2 2.7Å; R20-V60 VanDerWaalsContact NH1-CG2 3.31Å; R20-M63 HydrophobicContact CG-CE 3.85Å; R20-M63 HydrophobicContact CG-CG 4.32Å; R20-M63 HydrophobicContact CG-SD 3.97Å
21W95.3Very high93.6Very high73 Ų7349.7 Ų49.728%0.27724%0.244SC..Hα-helixtrans-61.5-36.2-179.2-68.5-22.3000113.4V17 V18 Y25 F199 L200V17-W21 HydrophobicContact CG1-CD2 4.03Å; V17-W21 HydrophobicContact CG1-CE3 4.18Å; V17-W21 HydrophobicContact CG1-CH2 3.73Å; V17-W21 HydrophobicContact CG1-CZ2 3.55Å; V17-W21 HydrophobicContact CG1-CZ3 4.03Å; V17-W21 PolarHBondContact O-N 2.62Å; V17-W21 VanDerWaalsContact O-N 3.11Å; V18-W21 HydrophobicContact CG2-CE3 4.33Å; V18-W21 HydrophobicContact CG2-CZ3 4.46Å; V18-W21 PolarHBondContact O-N 3.41Å; V18-W21 VanDerWaalsContact O-N 3.12Å; W21-Y25 VanDerWaalsContact O-CB 3.3Å; W21-Y25 WeakPolarHBondContact O-CB 3.49Å; W21-Y25 PolarHBondContact O-N 3.01Å; W21-F199 AromaticContact CD2-CD1 3.61Å; W21-F199 HydrophobicContact CD2-CD1 3.61Å; W21-F199 HydrophobicContact CD2-CE1 4.14Å; W21-F199 HydrophobicContact CD2-CG 4.48Å; W21-F199 AromaticContact CE2-CD1 3.64Å; W21-F199 AromaticContact CE3-CD1 3.83Å; W21-F199 HydrophobicContact CE3-CD1 3.83Å; W21-F199 AromaticContact CE3-CE1 3.93Å; W21-F199 HydrophobicContact CE3-CE1 3.93Å; W21-F199 HydrophobicContact CG-CD1 4.1Å; W21-F199 HydrophobicContact CH2-CD1 4.11Å; W21-F199 AromaticContact CH2-CE1 3.72Å; W21-F199 HydrophobicContact CH2-CE1 3.72Å; W21-F199 HydrophobicContact CH2-CZ 4.37Å; W21-F199 AromaticContact CZ2-CD1 3.9Å; W21-F199 HydrophobicContact CZ2-CD1 3.9Å; W21-F199 AromaticContact CZ2-CE1 3.93Å; W21-F199 HydrophobicContact CZ2-CE1 3.93Å; W21-F199 HydrophobicContact CZ3-CD1 4.07Å; W21-F199 AromaticContact CZ3-CE1 3.72Å; W21-F199 HydrophobicContact CZ3-CE1 3.72Å; W21-L200 HydrophobicContact CB-CD1 4.04Å; W21-L200 HydrophobicContact CB-CD2 4.39Å; W21-L200 HydrophobicContact CB-CG 4.01Å; W21-L200 HydrophobicContact CE3-CD2 4.41Å
22L95.6Very high94.2Very high46 Ų4646.7 Ų46.724%0.24123%0.23CC..Hα-helixtrans-62.6-49171.6-69.2174.8000110.8V18 N19 R20 E24 Y25 Y26 V52 L200V18-L22 HydrophobicContact CG1-CD1 4.3Å; V18-L22 HydrophobicContact CG1-CG 4.44Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 2.79Å; N19-L22 PolarHBondContact O-N 3.08Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.18Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-E24 PolarHBondContact O-N 3.45Å; L22-Y25 PolarHBondContact O-N 2.82Å; L22-Y26 HydrophobicContact CB-CD2 4.24Å; L22-Y26 HydrophobicContact CB-CE2 4.2Å; L22-Y26 HydrophobicContact CD2-CE2 4.02Å; L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 WeakPolarHBondContact O-CD2 3.48Å; L22-Y26 PolarHBondContact O-N 3.26Å; L22-V52 HydrophobicContact CB-CG1 4.19Å; L22-V52 HydrophobicContact CD1-CG1 4.42Å; L22-L200 HydrophobicContact CD2-CD1 4Å
23V94Very high94.7Very high2 Ų245.9 Ų45.91%0.01222%0.222CC..Hα-helixtrans-61.2-41.7178.8175.80000111.5N19 R20 F27 L49 V52 L53 I57 M63 I67N19-V23 VanDerWaalsContact O-CG2 3.26Å; N19-V23 WeakPolarHBondContact O-CG2 3.25Å; N19-V23 PolarHBondContact O-N 2.99Å; R20-V23 PolarHBondContact O-N 3.42Å; R20-V23 VanDerWaalsContact O-N 3.13Å; V23-F27 WeakPolarHBondContact O-CB 3.39Å; V23-F27 PolarHBondContact O-N 3.02Å; V23-L49 HydrophobicContact CB-CD1 4.25Å; V23-L49 HydrophobicContact CG1-CD1 4.44Å; V23-L49 HydrophobicContact CG2-CD1 3.86Å; V23-V52 HydrophobicContact CG2-CG1 3.88Å; V23-L53 HydrophobicContact CG1-CD2 4.46Å; V23-L53 HydrophobicContact CG2-CD2 4.14Å; V23-I57 HydrophobicContact CG2-CD1 3.96Å; V23-M63 HydrophobicContact CB-CE 3.73Å; V23-M63 HydrophobicContact CG1-CE 3.46Å; V23-M63 VanDerWaalsContact CG1-CE 3.46Å; V23-I67 HydrophobicContact CG1-CG1 4.48Å
24E93.9Very high94.9Very high37 Ų3740 Ų4017%0.17320%0.197CC..Hα-helixtrans-65.2-41.2175.2-68.5-167.4118.700113R20 L22 S28 M63 K66 P198R20-E24 HydrophobicContact CG-CG 4.37Å; R20-E24 WeakPolarHBondContact O-CG 3.44Å; R20-E24 PolarHBondContact O-N 3.27Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-E24 PolarHBondContact O-N 3.45Å; E24-S28 PolarHBondContact O-N 3.12Å; E24-M63 HydrophobicContact CG-CE 4.15Å; E24-M63 HydrophobicContact CG-SD 3.67Å; E24-K66 IonicContact OE1-NZ 2.74Å; E24-K66 PolarHBondContact OE1-NZ 3.21Å; E24-P198 HydrophobicContact CB-CB 4.02Å
25Y95.4Very high95Very high69 Ų6940.1 Ų40.127%0.27119%0.19SC..Hα-helixtrans-62.7-50.6176.6177-100.9000111.8W21 L22 S28 L29 P198 L200 H201W21-Y25 VanDerWaalsContact O-CB 3.3Å; W21-Y25 WeakPolarHBondContact O-CB 3.49Å; W21-Y25 PolarHBondContact O-N 3.01Å; L22-Y25 PolarHBondContact O-N 2.82Å; Y25-S28 PolarHBondContact O-N 3.4Å; Y25-L29 HydrophobicContact CE1-CD2 4.21Å; Y25-L29 WeakPolarHBondContact O-CB 3.25Å; Y25-L29 PolarHBondContact O-N 3.37Å; Y25-P198 HydrophobicContact CD2-CG 4.28Å; Y25-L200 HydrophobicContact CD2-CB 4.04Å; Y25-L200 HydrophobicContact CG-CB 4.27Å; Y25-L200 HydrophobicContact CG-CD1 4.44Å; Y25-H201 HydrophobicContact CD2-CB 4.22Å; Y25-H201 HydrophobicContact CE2-CB 4.26Å
26Y95.6Very high95Very high52 Ų5241.3 Ų41.320%0.20420%0.198CC..Hα-helixtrans-72.9-27.5-178.8-67.4-53.4000113.2L22 L29 T30 I45 M48 L49L22-Y26 HydrophobicContact CB-CD2 4.24Å; L22-Y26 HydrophobicContact CB-CE2 4.2Å; L22-Y26 HydrophobicContact CD2-CE2 4.02Å; L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 WeakPolarHBondContact O-CD2 3.48Å; L22-Y26 PolarHBondContact O-N 3.26Å; Y26-L29 HydrophobicContact CD1-CD2 4.21Å; Y26-L29 PolarHBondContact O-N 3.4Å; Y26-T30 WeakPolarHBondContact O-CB 3.38Å; Y26-T30 WeakPolarHBondContact O-CG2 3.49Å; Y26-T30 PolarHBondContact O-N 3.09Å; Y26-T30 PolarHBondContact O-OG1 2.89Å; Y26-I45 HydrophobicContact CD1-CD1 4.32Å; Y26-I45 HydrophobicContact CD1-CG2 3.54Å; Y26-I45 HydrophobicContact CE1-CD1 4.3Å; Y26-I45 HydrophobicContact CE1-CG2 4.45Å; Y26-I45 HydrophobicContact CG-CG2 3.9Å; Y26-M48 HydrophobicContact CD1-CE 3.64Å; Y26-M48 HydrophobicContact CD2-CE 3.58Å; Y26-M48 HydrophobicContact CD2-SD 4.16Å; Y26-M48 HydrophobicContact CE1-CE 3.57Å; Y26-M48 HydrophobicContact CE2-CE 3.49Å; Y26-M48 VanDerWaalsContact CE2-CE 3.49Å; Y26-M48 HydrophobicContact CE2-SD 3.68Å; Y26-M48 HydrophobicContact CG-CE 3.65Å; Y26-M48 VanDerWaalsContact CZ-CE 3.48Å; Y26-L49 HydrophobicContact CD2-CD1 4.23Å
27F94.4Very high95.1Very high11 Ų1142.8 Ų42.85%0.04821%0.205CC..Hα-helixtrans-62.6-47.9167.2178.8-97.9000111.5V23 L29 T30 V31 K66 V69 L70 F195V23-F27 WeakPolarHBondContact O-CB 3.39Å; V23-F27 PolarHBondContact O-N 3.02Å; F27-L29 VanDerWaalsContact C-N 3.33Å; F27-L29 PolarHBondContact O-N 3.41Å; F27-T30 WeakPolarHBondContact CA-OG1 3.43Å; F27-T30 PolarHBondContact O-OG1 2.95Å; F27-V31 HydrophobicContact CE1-CG2 4.29Å; F27-V31 HydrophobicContact CZ-CG2 4.26Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.04Å; F27-V31 PolarHBondContact O-N 2.75Å; F27-K66 HydrophobicContact CD1-CG 4.23Å; F27-K66 HydrophobicContact CD2-CB 4.05Å; F27-K66 HydrophobicContact CE1-CB 4.46Å; F27-K66 HydrophobicContact CE1-CG 4.05Å; F27-K66 HydrophobicContact CE2-CB 4.01Å; F27-K66 HydrophobicContact CE2-CG 4.45Å; F27-K66 WeakPolarHBondContact CE2-O 3.47Å; F27-K66 HydrophobicContact CG-CB 4.3Å; F27-K66 HydrophobicContact CZ-CB 4.22Å; F27-K66 HydrophobicContact CZ-CG 4.17Å; F27-V69 HydrophobicContact CE2-CB 4.24Å; F27-V69 HydrophobicContact CE2-CG1 3.9Å; F27-V69 HydrophobicContact CZ-CB 4.48Å; F27-V69 HydrophobicContact CZ-CG1 3.98Å; F27-L70 HydrophobicContact CD2-CB 4.24Å; F27-L70 HydrophobicContact CE2-CB 4.38Å; F27-F195 AromaticContact CE1-CD1 3.78Å; F27-F195 HydrophobicContact CE1-CD1 3.78Å; F27-F195 AromaticContact CE1-CE1 3.9Å; F27-F195 HydrophobicContact CE1-CE1 3.9Å; F27-F195 HydrophobicContact CZ-CD1 4.13Å; F27-F195 AromaticContact CZ-CE1 3.76Å; F27-F195 HydrophobicContact CZ-CE1 3.76Å
28S94.6Very high95.2Very high34 Ų3444.4 Ų44.424%0.23821%0.21CC..Hα-helixtrans-62-39.8175.6-177.10000112.2E24 Y25 E32E24-S28 PolarHBondContact O-N 3.12Å; Y25-S28 PolarHBondContact O-N 3.4Å; S28-E32 PolarHBondContact O-N 3.45Å
29L95.4Very high95.2Very high41 Ų4144 Ų4422%0.21520%0.202CC..Hα-helixtrans-70.2-44.4180-173.462.4000112.8Y25 Y26 F27 E32 F33 I45Y25-L29 HydrophobicContact CE1-CD2 4.21Å; Y25-L29 WeakPolarHBondContact O-CB 3.25Å; Y25-L29 PolarHBondContact O-N 3.37Å; Y26-L29 HydrophobicContact CD1-CD2 4.21Å; Y26-L29 PolarHBondContact O-N 3.4Å; F27-L29 VanDerWaalsContact C-N 3.33Å; F27-L29 PolarHBondContact O-N 3.41Å; L29-E32 PolarHBondContact O-N 3.07Å; L29-F33 HydrophobicContact CD1-CD2 4.47Å; L29-F33 HydrophobicContact CD1-CE1 4.12Å; L29-F33 HydrophobicContact CD1-CE2 3.89Å; L29-F33 HydrophobicContact CD1-CZ 3.69Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; L29-F33 HydrophobicContact CD2-CZ 4.3Å; L29-F33 HydrophobicContact CG-CD2 4.07Å; L29-F33 HydrophobicContact CG-CE2 3.59Å; L29-F33 HydrophobicContact CG-CZ 3.94Å; L29-F33 WeakPolarHBondContact O-CG 3.48Å; L29-F33 PolarHBondContact O-N 3.3Å; L29-I45 HydrophobicContact CD2-CD1 4.06Å; L29-I45 HydrophobicContact CD2-CG1 4.04Å
30T95.5Very high95.2Very high0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-63.3-41175.744.40000111.8Y26 F27 E32 F33 F34 F42 I45 L70Y26-T30 WeakPolarHBondContact O-CB 3.38Å; Y26-T30 WeakPolarHBondContact O-CG2 3.49Å; Y26-T30 PolarHBondContact O-N 3.09Å; Y26-T30 PolarHBondContact O-OG1 2.89Å; F27-T30 WeakPolarHBondContact CA-OG1 3.43Å; F27-T30 PolarHBondContact O-OG1 2.95Å; T30-E32 VanDerWaalsContact C-N 3.32Å; T30-E32 PolarHBondContact O-N 3.01Å; T30-F33 PolarHBondContact O-N 3.15Å; T30-F34 WeakPolarHBondContact O-CB 3.35Å; T30-F34 PolarHBondContact O-N 3.04Å; T30-F42 HydrophobicContact CG2-CD2 4.09Å; T30-F42 HydrophobicContact CG2-CE2 4.42Å; T30-F42 WeakPolarHBondContact O-CD2 3.42Å; T30-I45 HydrophobicContact CG2-CB 3.71Å; T30-I45 HydrophobicContact CG2-CG2 3.55Å; T30-L70 HydrophobicContact CG2-CD1 4.29Å; T30-L70 WeakPolarHBondContact OG1-CD1 3.38Å
31V94.3Very high95.3Very high8 Ų848.7 Ų48.75%0.04824%0.241CC..Hα-helixtrans-54.2-47.4171.7154.30000111.7F27 F34 K35 F195F27-V31 HydrophobicContact CE1-CG2 4.29Å; F27-V31 HydrophobicContact CZ-CG2 4.26Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.04Å; F27-V31 PolarHBondContact O-N 2.75Å; V31-F34 PolarHBondContact O-N 3.38Å; V31-K35 WeakPolarHBondContact O-CB 3.28Å; V31-K35 PolarHBondContact O-N 3.24Å; V31-F195 HydrophobicContact CB-CD2 4.33Å; V31-F195 HydrophobicContact CB-CE2 4.17Å; V31-F195 HydrophobicContact CG1-CD2 3.28Å; V31-F195 HydrophobicContact CG1-CE2 3.33Å; V31-F195 HydrophobicContact CG1-CG 4.08Å; V31-F195 HydrophobicContact CG1-CZ 4.22Å; V31-F195 HydrophobicContact CG2-CD1 4.49Å; V31-F195 HydrophobicContact CG2-CD2 4.14Å; V31-F195 HydrophobicContact CG2-CE1 4.13Å; V31-F195 HydrophobicContact CG2-CE2 3.69Å; V31-F195 HydrophobicContact CG2-CG 4.49Å; V31-F195 HydrophobicContact CG2-CZ 3.71Å
32E95.1Very high95.4Very high72 Ų7245.2 Ų45.234%0.33623%0.227SC..Hα-helixtrans-69.8-40.9-178-173.357.6-155.600111.8S28 L29 T30 F34 K35 N36S28-E32 PolarHBondContact O-N 3.45Å; L29-E32 PolarHBondContact O-N 3.07Å; T30-E32 VanDerWaalsContact C-N 3.32Å; T30-E32 PolarHBondContact O-N 3.01Å; E32-F34 PolarHBondContact O-N 3.25Å; E32-K35 WeakPolarHBondContact O-CB 3.32Å; E32-K35 PolarHBondContact O-N 2.8Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 2.78Å; E32-K35 IonicContact OE2-NZ 2.75Å; E32-K35 PolarHBondContact OE2-NZ 2.87Å; E32-N36 WeakPolarHBondContact O-CB 3.39Å; E32-N36 VanDerWaalsContact O-CG 3.24Å; E32-N36 PolarHBondContact O-N 2.95Å; E32-N36 PolarHBondContact O-ND2 3.31Å; E32-N36 PolarHBondContact OE1-ND2 2.96Å; E32-N36 PolarHBondContact OE1-OD1 3.28Å
33F96.5Very high95.3Very high39 Ų3943.9 Ų43.917%0.17122%0.222CC..Hα-helixtrans-61.7-41.9171.7-69.7-29.8000112.5L29 T30 N36 Q37 Q38 D41 F42 I45L29-F33 HydrophobicContact CD1-CD2 4.47Å; L29-F33 HydrophobicContact CD1-CE1 4.12Å; L29-F33 HydrophobicContact CD1-CE2 3.89Å; L29-F33 HydrophobicContact CD1-CZ 3.69Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; L29-F33 HydrophobicContact CD2-CZ 4.3Å; L29-F33 HydrophobicContact CG-CD2 4.07Å; L29-F33 HydrophobicContact CG-CE2 3.59Å; L29-F33 HydrophobicContact CG-CZ 3.94Å; L29-F33 WeakPolarHBondContact O-CG 3.48Å; L29-F33 PolarHBondContact O-N 3.3Å; T30-F33 PolarHBondContact O-N 3.15Å; F33-N36 CarbonylContact O-C 3.52Å; F33-N36 PolarHBondContact O-N 2.89Å; F33-Q37 PolarHBondContact O-N 3.19Å; F33-Q38 HydrophobicContact CB-CB 3.94Å; F33-Q38 HydrophobicContact CD1-CB 4.1Å; F33-Q38 HydrophobicContact CG-CB 4.27Å; F33-Q38 PolarHBondContact O-N 3.28Å; F33-D41 HydrophobicContact CB-CB 4.49Å; F33-D41 HydrophobicContact CD1-CB 4.15Å; F33-D41 HydrophobicContact CD2-CB 3.56Å; F33-D41 HydrophobicContact CE1-CB 4.21Å; F33-D41 HydrophobicContact CE2-CB 3.62Å; F33-D41 HydrophobicContact CG-CB 3.84Å; F33-D41 HydrophobicContact CZ-CB 3.96Å; F33-F42 HydrophobicContact CB-CB 4.19Å; F33-I45 HydrophobicContact CD2-CG1 4.25Å; F33-I45 HydrophobicContact CE2-CG1 3.8Å
34F95.6Very high95.4Very high4 Ų446.6 Ų46.62%0.01824%0.244CC..Hα-helixtrans-64.4-42.2177.2-165.9-73.5000111.5T30 V31 E32 Q37 F42 L73 I76 N77 R182 L186T30-F34 WeakPolarHBondContact O-CB 3.35Å; T30-F34 PolarHBondContact O-N 3.04Å; V31-F34 PolarHBondContact O-N 3.38Å; E32-F34 PolarHBondContact O-N 3.25Å; F34-Q37 PolarHBondContact O-N 2.93Å; F34-F42 HydrophobicContact CB-CD2 3.94Å; F34-F42 HydrophobicContact CB-CE2 4.28Å; F34-F42 HydrophobicContact CD2-CD1 4.49Å; F34-F42 AromaticContact CD2-CD2 3.94Å; F34-F42 HydrophobicContact CD2-CD2 3.94Å; F34-F42 HydrophobicContact CD2-CE1 4.34Å; F34-F42 AromaticContact CD2-CE2 3.76Å; F34-F42 HydrophobicContact CD2-CE2 3.76Å; F34-F42 HydrophobicContact CD2-CG 4.31Å; F34-F42 AromaticContact CD2-CZ 3.97Å; F34-F42 HydrophobicContact CD2-CZ 3.97Å; F34-F42 HydrophobicContact CE2-CZ 4.49Å; F34-F42 HydrophobicContact CG-CD2 4.46Å; F34-F42 HydrophobicContact CG-CE2 4.48Å; F34-L73 HydrophobicContact CD2-CB 4.38Å; F34-L73 HydrophobicContact CE1-CD2 4.17Å; F34-L73 HydrophobicContact CE2-CB 4.17Å; F34-L73 HydrophobicContact CE2-CD2 4.17Å; F34-L73 HydrophobicContact CZ-CD2 3.95Å; F34-I76 HydrophobicContact CZ-CG2 4.24Å; F34-N77 HydrophobicContact CE2-CB 4.06Å; F34-R182 HydrophobicContact CE1-CB 3.93Å; F34-R182 WeakPolarHBondContact CE1-O 3.46Å; F34-R182 HydrophobicContact CZ-CB 3.94Å; F34-R182 HydrophobicContact CZ-CG 4.15Å; F34-L186 HydrophobicContact CD1-CB 4.09Å; F34-L186 HydrophobicContact CD1-CD1 4.09Å; F34-L186 HydrophobicContact CD1-CD2 4.22Å; F34-L186 HydrophobicContact CD1-CG 4.35Å; F34-L186 HydrophobicContact CE1-CB 4Å
35K94.6Very high95.5Very high97 Ų9746.3 Ų46.342%0.42224%0.244SC..Hα-helixtrans-59.1-44.4173.5168.4170.6154-86.50112.1V31 E32 Q37 L186V31-K35 WeakPolarHBondContact O-CB 3.28Å; V31-K35 PolarHBondContact O-N 3.24Å; E32-K35 WeakPolarHBondContact O-CB 3.32Å; E32-K35 PolarHBondContact O-N 2.8Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 2.78Å; E32-K35 IonicContact OE2-NZ 2.75Å; E32-K35 PolarHBondContact OE2-NZ 2.87Å; K35-Q37 PolarHBondContact O-N 3.43Å; K35-L186 HydrophobicContact CB-CD2 3.85Å
36N95.8Very high95.5Very high76 Ų7643.4 Ų43.441%0.40623%0.232SC..THydrogen-bonded Turntrans-83.96-179.4-60.9-18.4000113.3E32 F33 Q38E32-N36 WeakPolarHBondContact O-CB 3.39Å; E32-N36 VanDerWaalsContact O-CG 3.24Å; E32-N36 PolarHBondContact O-N 2.95Å; E32-N36 PolarHBondContact O-ND2 3.31Å; E32-N36 PolarHBondContact OE1-ND2 2.96Å; E32-N36 PolarHBondContact OE1-OD1 3.28Å; F33-N36 CarbonylContact O-C 3.52Å; F33-N36 PolarHBondContact O-N 2.89Å; N36-Q38 HydrophobicContact CB-CG 4.48Å; N36-Q38 PolarHBondContact O-N 2.85Å
37Q95.4Very high95.3Very high93 Ų9343.9 Ų43.944%0.43524%0.239SC..THydrogen-bonded Turntrans65.618.8178.3-48.7176.6110.400114.3F33 F34 K35 Y39F33-Q37 PolarHBondContact O-N 3.19Å; F34-Q37 PolarHBondContact O-N 2.93Å; K35-Q37 PolarHBondContact O-N 3.43Å; Q37-Y39 HydrophobicContact CB-CE1 4.49Å; Q37-Y39 HydrophobicContact CB-CE2 3.79Å; Q37-Y39 HydrophobicContact CG-CE2 4.47Å; Q37-Y39 VanDerWaalsContact O-CD2 3.24Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.21Å; Q37-Y39 PolarHBondContact O-N 2.95Å
38Q96.8Very high95.2Very high73 Ų7346.3 Ų46.334%0.34125%0.251SS..  trans-78.861.5174-72178.3-103.400110.9F33 N36 A40 D41 F42F33-Q38 HydrophobicContact CB-CB 3.94Å; F33-Q38 HydrophobicContact CD1-CB 4.1Å; F33-Q38 HydrophobicContact CG-CB 4.27Å; F33-Q38 PolarHBondContact O-N 3.28Å; N36-Q38 HydrophobicContact CB-CG 4.48Å; N36-Q38 PolarHBondContact O-N 2.85Å; Q38-A40 PolarHBondContact O-N 3.16Å; Q38-D41 HydrophobicContact CB-CB 4.26Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.47Å; Q38-D41 PolarHBondContact NE2-OD2 2.85Å; Q38-D41 PolarHBondContact O-N 3.38Å; Q38-F42 WeakPolarHBondContact O-CB 3.45Å; Q38-F42 PolarHBondContact O-N 3.26Å
39Y95.3Very high95.2Very high49 Ų4944.9 Ų44.919%0.19224%0.24CC..Hα-helixtrans-66.4-20.2-171.9-55.3-56.3000114.3Q37 C43 N77 R182Q37-Y39 HydrophobicContact CB-CE1 4.49Å; Q37-Y39 HydrophobicContact CB-CE2 3.79Å; Q37-Y39 HydrophobicContact CG-CE2 4.47Å; Q37-Y39 VanDerWaalsContact O-CD2 3.24Å; Q37-Y39 WeakPolarHBondContact O-CD2 3.21Å; Q37-Y39 PolarHBondContact O-N 2.95Å; Y39-C43 PolarHBondContact O-N 2.92Å; Y39-C43 PolarHBondContact O-SG 3.02Å; Y39-C43 VanDerWaalsContact O-SG 3.37Å; Y39-N77 WeakPolarHBondContact CD1-OD1 3.33Å; Y39-R182 VanDerWaalsContact CE1-CD 3.45Å; Y39-R182 WeakPolarHBondContact OH-CD 3.36Å
40A95.4Very high95Very high77 Ų7744.3 Ų44.364%0.63624%0.238SC*.Hα-helixtrans-73.3-51.5172.700000111.3Q38 F42 C43 A44Q38-A40 PolarHBondContact O-N 3.16Å; A40-F42 VanDerWaalsContact C-N 3.29Å; A40-F42 PolarHBondContact O-N 3.07Å; A40-C43 PolarHBondContact O-N 3.43Å; A40-A44 PolarHBondContact O-N 2.85Å
41D96.9Very high94.8Very high69 Ų6951.5 Ų51.537%0.36927%0.271SS..Hα-helixtrans-63.1-37.8178.6-51.7-44.7000111.2F33 Q38 C43 A44 I45F33-D41 HydrophobicContact CB-CB 4.49Å; F33-D41 HydrophobicContact CD1-CB 4.15Å; F33-D41 HydrophobicContact CD2-CB 3.56Å; F33-D41 HydrophobicContact CE1-CB 4.21Å; F33-D41 HydrophobicContact CE2-CB 3.62Å; F33-D41 HydrophobicContact CG-CB 3.84Å; F33-D41 HydrophobicContact CZ-CB 3.96Å; Q38-D41 HydrophobicContact CB-CB 4.26Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.47Å; Q38-D41 PolarHBondContact NE2-OD2 2.85Å; Q38-D41 PolarHBondContact O-N 3.38Å; D41-C43 PolarHBondContact O-N 2.95Å; D41-A44 PolarHBondContact O-N 3.49Å; D41-I45 WeakPolarHBondContact O-CG1 3.32Å; D41-I45 PolarHBondContact O-N 3.49Å
42F96.5Very high94.7Very high0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-55-46.4169171.2-91.9000112.5T30 F33 F34 Q38 A40 R46 L70 L73 S74 N77T30-F42 HydrophobicContact CG2-CD2 4.09Å; T30-F42 HydrophobicContact CG2-CE2 4.42Å; T30-F42 WeakPolarHBondContact O-CD2 3.42Å; F33-F42 HydrophobicContact CB-CB 4.19Å; F34-F42 HydrophobicContact CB-CD2 3.94Å; F34-F42 HydrophobicContact CB-CE2 4.28Å; F34-F42 HydrophobicContact CD2-CD1 4.49Å; F34-F42 AromaticContact CD2-CD2 3.94Å; F34-F42 HydrophobicContact CD2-CD2 3.94Å; F34-F42 HydrophobicContact CD2-CE1 4.34Å; F34-F42 AromaticContact CD2-CE2 3.76Å; F34-F42 HydrophobicContact CD2-CE2 3.76Å; F34-F42 HydrophobicContact CD2-CG 4.31Å; F34-F42 AromaticContact CD2-CZ 3.97Å; F34-F42 HydrophobicContact CD2-CZ 3.97Å; F34-F42 HydrophobicContact CE2-CZ 4.49Å; F34-F42 HydrophobicContact CG-CD2 4.46Å; F34-F42 HydrophobicContact CG-CE2 4.48Å; Q38-F42 WeakPolarHBondContact O-CB 3.45Å; Q38-F42 PolarHBondContact O-N 3.26Å; A40-F42 VanDerWaalsContact C-N 3.29Å; A40-F42 PolarHBondContact O-N 3.07Å; F42-R46 WeakPolarHBondContact O-CB 3.23Å; F42-R46 PolarHBondContact O-N 3.33Å; F42-L70 HydrophobicContact CE2-CD1 3.73Å; F42-L70 HydrophobicContact CZ-CD1 4.09Å; F42-L73 HydrophobicContact CE2-CB 4.41Å; F42-L73 HydrophobicContact CZ-CB 4.14Å; F42-S74 WeakPolarHBondContact CE1-OG 3.31Å; F42-S74 VanDerWaalsContact CZ-OG 3.3Å; F42-S74 WeakPolarHBondContact CZ-OG 3.25Å; F42-N77 HydrophobicContact CD1-CB 4.27Å; F42-N77 WeakPolarHBondContact CD1-ND2 3.46Å; F42-N77 HydrophobicContact CE1-CB 3.85Å
43C94.9Very high94.6Very high18 Ų1848.7 Ų48.712%0.12226%0.259CS..Hα-helixtrans-71.3-34178.5-74.30000112.7Y39 A40 D41 R46 D47 N77 E78Y39-C43 PolarHBondContact O-N 2.92Å; Y39-C43 PolarHBondContact O-SG 3.02Å; Y39-C43 VanDerWaalsContact O-SG 3.37Å; A40-C43 PolarHBondContact O-N 3.43Å; D41-C43 PolarHBondContact O-N 2.95Å; C43-R46 WeakPolarHBondContact O-CB 3.46Å; C43-R46 PolarHBondContact O-N 3.45Å; C43-R46 PolarHBondContact SG-NH1 2.98Å; C43-D47 WeakPolarHBondContact O-CB 3.32Å; C43-D47 PolarHBondContact O-N 3.34Å; C43-N77 PolarHBondContact SG-ND2 3.34Å; C43-E78 PolarHBondContact SG-OE1 3.04Å
44A95.9Very high94.4Very high59 Ų5951.7 Ų51.749%0.48827%0.273SS..Hα-helixtrans-65.9-4417600000112A40 D41 M48A40-A44 PolarHBondContact O-N 2.85Å; D41-A44 PolarHBondContact O-N 3.49Å; A44-M48 PolarHBondContact O-N 3.04Å
45I95.8Very high94.2Very high31 Ų3157.8 Ų57.816%0.15930%0.296CS..Hα-helixtrans-71.5-33.9175.1-59.4-58.9000111.7Y26 L29 T30 F33 D41 M48 L49Y26-I45 HydrophobicContact CD1-CD1 4.32Å; Y26-I45 HydrophobicContact CD1-CG2 3.54Å; Y26-I45 HydrophobicContact CE1-CD1 4.3Å; Y26-I45 HydrophobicContact CE1-CG2 4.45Å; Y26-I45 HydrophobicContact CG-CG2 3.9Å; L29-I45 HydrophobicContact CD2-CD1 4.06Å; L29-I45 HydrophobicContact CD2-CG1 4.04Å; T30-I45 HydrophobicContact CG2-CB 3.71Å; T30-I45 HydrophobicContact CG2-CG2 3.55Å; F33-I45 HydrophobicContact CD2-CG1 4.25Å; F33-I45 HydrophobicContact CE2-CG1 3.8Å; D41-I45 WeakPolarHBondContact O-CG1 3.32Å; D41-I45 PolarHBondContact O-N 3.49Å; I45-M48 HydrophobicContact CD1-CE 4.33Å; I45-M48 HydrophobicContact CG2-CE 3.9Å; I45-M48 WeakPolarHBondContact O-CE 3.49Å; I45-L49 VanDerWaalsContact O-CB 3.27Å; I45-L49 WeakPolarHBondContact O-CB 3.07Å; I45-L49 PolarHBondContact O-N 2.94Å
46R94.5Very high94.1Very high8 Ų855.9 Ų55.93%0.0329%0.294CS..Hα-helixtrans-55.6-59.6168.8177-161.169.7-151-8.5110.4F42 C43 M48 L49 D50 S74 E78 W538F42-R46 WeakPolarHBondContact O-CB 3.23Å; F42-R46 PolarHBondContact O-N 3.33Å; C43-R46 WeakPolarHBondContact O-CB 3.46Å; C43-R46 PolarHBondContact O-N 3.45Å; C43-R46 PolarHBondContact SG-NH1 2.98Å; R46-M48 PolarHBondContact O-N 3.24Å; R46-M48 VanDerWaalsContact O-N 3.12Å; R46-L49 WeakPolarHBondContact O-CA 3.44Å; R46-L49 WeakPolarHBondContact O-CB 3.43Å; R46-L49 PolarHBondContact O-N 3.33Å; R46-D50 PolarHBondContact O-N 2.87Å; R46-S74 VanDerWaalsContact CD-OG 3.27Å; R46-S74 WeakPolarHBondContact CD-OG 3.07Å; R46-E78 IonicContact CZ-OE1 3.46Å; R46-E78 IonicContact NH1-OE1 2.61Å; R46-E78 PolarHBondContact NH1-OE1 3Å; R46-E78 IonicContact NH2-OE1 3.72Å; R46-W538 HydrophobicContact CG-CD2 4.14Å; R46-W538 HydrophobicContact CG-CE3 3.9Å; R46-W538 HydrophobicContact CG-CZ3 4.19Å
47D92.1Very high93.9Very high63 Ų6353.9 Ų53.934%0.33728%0.283SS..Hα-helixtrans-64.4-21.2-171.6-70.5-13.1000113.1C43 R539C43-D47 WeakPolarHBondContact O-CB 3.32Å; C43-D47 PolarHBondContact O-N 3.34Å; D47-R539 IonicContact OD1-NH2 3.13Å; D47-R539 IonicContact OD2-NH2 3.4Å; D47-R539 PolarHBondContact OD2-NH2 3.32Å
48M93.3Very high93.7Very high62 Ų6252.4 Ų52.431%0.30528%0.276SS..Hα-helixtrans-83.9-32.3168.7171.3-74-44.300112.9Y26 A44 I45 R46 D50 E51 V52Y26-M48 HydrophobicContact CD1-CE 3.64Å; Y26-M48 HydrophobicContact CD2-CE 3.58Å; Y26-M48 HydrophobicContact CD2-SD 4.16Å; Y26-M48 HydrophobicContact CE1-CE 3.57Å; Y26-M48 HydrophobicContact CE2-CE 3.49Å; Y26-M48 VanDerWaalsContact CE2-CE 3.49Å; Y26-M48 HydrophobicContact CE2-SD 3.68Å; Y26-M48 HydrophobicContact CG-CE 3.65Å; Y26-M48 VanDerWaalsContact CZ-CE 3.48Å; A44-M48 PolarHBondContact O-N 3.04Å; I45-M48 HydrophobicContact CD1-CE 4.33Å; I45-M48 HydrophobicContact CG2-CE 3.9Å; I45-M48 WeakPolarHBondContact O-CE 3.49Å; R46-M48 PolarHBondContact O-N 3.24Å; R46-M48 VanDerWaalsContact O-N 3.12Å; M48-D50 VanDerWaalsContact C-N 3.28Å; M48-D50 PolarHBondContact O-N 3.44Å; M48-E51 PolarHBondContact O-N 3.29Å; M48-V52 HydrophobicContact SD-CG2 4.12Å
49L94.1Very high92.9Very high3 Ų354.3 Ų54.32%0.01630%0.297CS..Hα-helixtrans-67.8-28175.2-171.867.9000112.2V23 Y26 I45 R46 E51 V52 L53 L70V23-L49 HydrophobicContact CB-CD1 4.25Å; V23-L49 HydrophobicContact CG1-CD1 4.44Å; V23-L49 HydrophobicContact CG2-CD1 3.86Å; Y26-L49 HydrophobicContact CD2-CD1 4.23Å; I45-L49 VanDerWaalsContact O-CB 3.27Å; I45-L49 WeakPolarHBondContact O-CB 3.07Å; I45-L49 PolarHBondContact O-N 2.94Å; R46-L49 WeakPolarHBondContact O-CA 3.44Å; R46-L49 WeakPolarHBondContact O-CB 3.43Å; R46-L49 PolarHBondContact O-N 3.33Å; L49-E51 VanDerWaalsContact C-N 3.3Å; L49-E51 PolarHBondContact O-N 2.92Å; L49-V52 HydrophobicContact CD1-CB 4.19Å; L49-V52 PolarHBondContact O-N 2.88Å; L49-V52 VanDerWaalsContact O-N 3.1Å; L49-L53 HydrophobicContact CD2-CD1 4.4Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.23Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.32Å; L49-L53 PolarHBondContact O-N 3.01Å; L49-L70 HydrophobicContact CD2-CD2 3.37Å
50D90.1Very high92.3Very high30 Ų3054.1 Ų54.116%0.1630%0.301CS..Hα-helixtrans-47.2-51.4169.3-73.433.7000111.5R46 M48 V52 L53 E54 W538R46-D50 PolarHBondContact O-N 2.87Å; M48-D50 VanDerWaalsContact C-N 3.28Å; M48-D50 PolarHBondContact O-N 3.44Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.08Å; D50-L53 PolarHBondContact O-N 2.94Å; D50-E54 PolarHBondContact O-N 3.5Å; D50-W538 PolarHBondContact OD1-NE1 3.34Å; D50-W538 VanDerWaalsContact OD1-NE1 3.1Å
51E92.3Very high91.5Very high151 Ų15158.1 Ų58.171%0.70631%0.312SS*.Hα-helixtrans-62.1-36.7178.8-66.9-84.6166.800112.5M48 L49M48-E51 PolarHBondContact O-N 3.29Å; L49-E51 VanDerWaalsContact C-N 3.3Å; L49-E51 PolarHBondContact O-N 2.92Å
52V93.1Very high90.9Very high16 Ų1657.4 Ų57.410%0.09731%0.308CS..Hα-helixtrans-71.8-33.1178.6-176.10000111.2N19 L22 V23 M48 L49 D50 E54 R55N19-V52 HydrophobicContact CB-CG1 4.41Å; L22-V52 HydrophobicContact CB-CG1 4.19Å; L22-V52 HydrophobicContact CD1-CG1 4.42Å; V23-V52 HydrophobicContact CG2-CG1 3.88Å; M48-V52 HydrophobicContact SD-CG2 4.12Å; L49-V52 HydrophobicContact CD1-CB 4.19Å; L49-V52 PolarHBondContact O-N 2.88Å; L49-V52 VanDerWaalsContact O-N 3.1Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.08Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.11Å; V52-R55 WeakPolarHBondContact O-CB 3.49Å; V52-R55 PolarHBondContact O-N 3.15Å
53L92.3Very high90.6Very high4 Ų457.6 Ų57.62%0.02131%0.309CS..Hα-helixtrans-72.7-24.3-178.7-71.5166.6000113.2V23 L49 D50 R55 I57 I67 I534 L537 W538V23-L53 HydrophobicContact CG1-CD2 4.46Å; V23-L53 HydrophobicContact CG2-CD2 4.14Å; L49-L53 HydrophobicContact CD2-CD1 4.4Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.23Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.32Å; L49-L53 PolarHBondContact O-N 3.01Å; D50-L53 PolarHBondContact O-N 2.94Å; L53-R55 PolarHBondContact O-N 3.18Å; L53-I57 HydrophobicContact CD2-CD1 3.97Å; L53-I67 HydrophobicContact CD2-CD1 3.76Å; L53-I67 HydrophobicContact CD2-CG1 3.95Å; L53-I534 HydrophobicContact CB-CG2 4.14Å; L53-I534 VanDerWaalsContact O-CG2 3.31Å; L53-I534 WeakPolarHBondContact O-CG2 3.3Å; L53-L537 HydrophobicContact CD1-CD2 4.45Å; L53-W538 HydrophobicContact CD1-CZ2 3.96Å
54E91.2Very high90.4Very high103 Ų10358.9 Ų58.948%0.48132%0.317SS..THydrogen-bonded Turntrans-75.3-5.2171.8-57.7-66128.100113D50 V52 K535 S536D50-E54 PolarHBondContact O-N 3.5Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.11Å; E54-K535 VanDerWaalsContact OE1-CA 3.28Å; E54-K535 WeakPolarHBondContact OE1-CA 3.23Å; E54-S536 PolarHBondContact OE1-N 3.12Å
55R92.1Very high90.2Very high131 Ų13157.3 Ų57.349%0.49430%0.3SS..SBendtrans-93.9159178.1-55.5-16472.9106.72.2112.1E15 N19 V52 L53 I57E15-R55 IonicContact OE1-CZ 3.41Å; E15-R55 IonicContact OE1-NE 2.68Å; E15-R55 PolarHBondContact OE1-NE 3.29Å; E15-R55 IonicContact OE1-NH2 2.67Å; E15-R55 PolarHBondContact OE1-NH2 3.38Å; E15-R55 IonicContact OE2-NH2 3.12Å; N19-R55 VanDerWaalsContact ND2-CB 3.35Å; N19-R55 WeakPolarHBondContact ND2-CB 3.41Å; V52-R55 WeakPolarHBondContact O-CB 3.49Å; V52-R55 PolarHBondContact O-N 3.15Å; L53-R55 PolarHBondContact O-N 3.18Å; R55-I57 PolarHBondContact O-N 3.49Å
56P92.1Very high90Very high58 Ų5856 Ų5638%0.37729%0.294SS..  trans-62131.4173.326.8-35.9000111.2E15 E16 N19E15-P56 HydrophobicContact CG-CG 4.25Å; E16-P56 HydrophobicContact CG-CB 3.91Å; N19-P56 WeakPolarHBondContact CB-O 3.37Å; N19-P56 PolarHBondContact ND2-O 3.19Å
57I91.4Very high89.9Confident34 Ų3457 Ų5717%0.17430%0.299CS..  trans-128.5138.2-176.9-70.9156.5000108.9N19 R20 V23 L53 R55 S59N19-I57 HydrophobicContact CB-CG1 3.72Å; R20-I57 HydrophobicContact CB-CG2 4.17Å; V23-I57 HydrophobicContact CG2-CD1 3.96Å; L53-I57 HydrophobicContact CD2-CD1 3.97Å; R55-I57 PolarHBondContact O-N 3.49Å; I57-S59 PolarHBondContact O-N 3.32Å
58E91.6Very high90.1Very high61 Ų6156.9 Ų56.929%0.28529%0.294SS..  trans-63.7121.6176.4-166.7-174.2147.800111.6E16 V17 R20 V60E16-E58 HydrophobicContact CB-CB 4.12Å; E16-E58 WeakPolarHBondContact O-CB 3.13Å; E16-E58 PolarHBondContact O-N 3.45Å; V17-E58 WeakPolarHBondContact CA-OE2 3.38Å; V17-E58 WeakPolarHBondContact CG2-OE2 3.43Å; R20-E58 HydrophobicContact CB-CB 4.17Å; R20-E58 VanDerWaalsContact CZ-CD 3.43Å; R20-E58 IonicContact CZ-OE1 3.54Å; R20-E58 IonicContact CZ-OE2 2.99Å; R20-E58 IonicContact NE-OE2 3.89Å; R20-E58 IonicContact NH1-OE1 2.72Å; R20-E58 PolarHBondContact NH1-OE1 2.97Å; R20-E58 IonicContact NH1-OE2 3.03Å; R20-E58 PolarHBondContact NH1-OE2 3.07Å; R20-E58 IonicContact NH2-OE1 3.69Å; R20-E58 IonicContact NH2-OE2 2.68Å; R20-E58 PolarHBondContact NH2-OE2 2.7Å; E58-V60 PolarHBondContact O-N 3.23Å; E58-V60 VanDerWaalsContact O-N 3.14Å
59S80.4Confident90.2Very high114 Ų11453.9 Ų53.980%0.79728%0.279SS*.  trans-73.5101-178.3178.60000111.8I57I57-S59 PolarHBondContact O-N 3.32Å
60V83.3Confident90.2Very high45 Ų4553.9 Ų53.927%0.27328%0.279SS..  trans-112.3142.9168.6179.60000109.6R20 E58 D62 M63 P64R20-V60 VanDerWaalsContact NH1-CG2 3.31Å; E58-V60 PolarHBondContact O-N 3.23Å; E58-V60 VanDerWaalsContact O-N 3.14Å; V60-D62 PolarHBondContact O-N 3.13Å; V60-M63 HydrophobicContact CB-CG 3.93Å; V60-M63 WeakPolarHBondContact O-CB 3.42Å; V60-M63 PolarHBondContact O-N 2.77Å; V60-P64 WeakPolarHBondContact O-CD 3.4Å
61D77.9Confident90.5Very high160 Ų16052.8 Ų52.886%0.85627%0.273SS*.THydrogen-bonded Turntrans-53.4-31.8-167.7-57.6-38.5000115.4
62D85.1Confident90.8Very high54 Ų5445.6 Ų45.629%0.28924%0.239SC..THydrogen-bonded Turntrans-89.7-13.8-178.576.9-9.2000114.4V60 L65 K66V60-D62 PolarHBondContact O-N 3.13Å; D62-L65 PolarHBondContact O-N 2.78Å; D62-L65 VanDerWaalsContact O-N 3.12Å; D62-K66 VanDerWaalsContact CG-CE 3.46Å; D62-K66 PolarHBondContact O-N 2.78Å; D62-K66 WeakPolarHBondContact OD1-CE 3.39Å; D62-K66 IonicContact OD1-NZ 3.33Å; D62-K66 PolarHBondContact OD1-NZ 3.09Å; D62-K66 WeakPolarHBondContact OD2-CE 3.44Å; D62-K66 IonicContact OD2-NZ 2.99Å; D62-K66 PolarHBondContact OD2-NZ 2.68Å
63M88.3Confident91Very high5 Ų544.9 Ų44.93%0.02524%0.235CC..Hα-helixtrans-64.1-42.1-176.2-66.6-66.6-64.100113.3R20 V23 E24 V60 L65 K66 I67R20-M63 HydrophobicContact CG-CE 3.85Å; R20-M63 HydrophobicContact CG-CG 4.32Å; R20-M63 HydrophobicContact CG-SD 3.97Å; V23-M63 HydrophobicContact CB-CE 3.73Å; V23-M63 HydrophobicContact CG1-CE 3.46Å; V23-M63 VanDerWaalsContact CG1-CE 3.46Å; E24-M63 HydrophobicContact CG-CE 4.15Å; E24-M63 HydrophobicContact CG-SD 3.67Å; V60-M63 HydrophobicContact CB-CG 3.93Å; V60-M63 WeakPolarHBondContact O-CB 3.42Å; V60-M63 PolarHBondContact O-N 2.77Å; M63-L65 PolarHBondContact O-N 2.89Å; M63-K66 PolarHBondContact O-N 3.46Å; M63-K66 HydrophobicContact SD-CD 3.61Å; M63-I67 VanDerWaalsContact O-CG1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.48Å; M63-I67 PolarHBondContact O-N 2.72Å
64P90.8Very high91.2Very high44 Ų4444.7 Ų44.729%0.28623%0.234SC..Hα-helixtrans-59.2-33.2173.3-24.535.3000112.8V60 R68 F109V60-P64 WeakPolarHBondContact O-CD 3.4Å; P64-R68 WeakPolarHBondContact O-CB 3.45Å; P64-R68 WeakPolarHBondContact O-CG 3.25Å; P64-R68 PolarHBondContact O-N 3.18Å; P64-R68 VanDerWaalsContact O-N 3.12Å; P64-F109 HydrophobicContact CB-CE1 4.19Å; P64-F109 HydrophobicContact CB-CZ 4.09Å
65L92.5Very high91.5Very high26 Ų2640.4 Ų40.414%0.13621%0.213CC..Hα-helixtrans-75.5-43.6177.5-177.755.9000111.8D62 M63 I67 R68 V69 M105 F109 L192 C193D62-L65 PolarHBondContact O-N 2.78Å; D62-L65 VanDerWaalsContact O-N 3.12Å; M63-L65 PolarHBondContact O-N 2.89Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 2.86Å; L65-R68 PolarHBondContact O-N 3.34Å; L65-V69 HydrophobicContact CD1-CG2 4.15Å; L65-V69 HydrophobicContact CG-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CB 3.37Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.97Å; L65-M105 HydrophobicContact CD1-CE 4.17Å; L65-F109 HydrophobicContact CB-CD1 4.02Å; L65-F109 HydrophobicContact CB-CE1 3.84Å; L65-F109 HydrophobicContact CB-CZ 4.39Å; L65-F109 HydrophobicContact CD1-CB 4.3Å; L65-F109 HydrophobicContact CD1-CD1 4.06Å; L65-F109 HydrophobicContact CD1-CD2 4.07Å; L65-F109 HydrophobicContact CD1-CE1 4.41Å; L65-F109 HydrophobicContact CD1-CE2 4.45Å; L65-F109 HydrophobicContact CD1-CG 3.88Å; L65-F109 HydrophobicContact CG-CD1 4.42Å; L65-L192 WeakPolarHBondContact CD2-O 3.4Å; L65-C193 HydrophobicContact CD2-CB 4.19Å; L65-C193 HydrophobicContact CG-CB 4.37Å
66K92.1Very high91.7Very high5 Ų534.2 Ų34.22%0.02219%0.19CC..Hα-helixtrans-52.7-49.3171.9-72.4166.2177.3153.30111.1E24 F27 D62 M63 R68 V69 L70E24-K66 IonicContact OE1-NZ 2.74Å; E24-K66 PolarHBondContact OE1-NZ 3.21Å; F27-K66 HydrophobicContact CD1-CG 4.23Å; F27-K66 HydrophobicContact CD2-CB 4.05Å; F27-K66 HydrophobicContact CE1-CB 4.46Å; F27-K66 HydrophobicContact CE1-CG 4.05Å; F27-K66 HydrophobicContact CE2-CB 4.01Å; F27-K66 HydrophobicContact CE2-CG 4.45Å; F27-K66 WeakPolarHBondContact CE2-O 3.47Å; F27-K66 HydrophobicContact CG-CB 4.3Å; F27-K66 HydrophobicContact CZ-CB 4.22Å; F27-K66 HydrophobicContact CZ-CG 4.17Å; D62-K66 VanDerWaalsContact CG-CE 3.46Å; D62-K66 PolarHBondContact O-N 2.78Å; D62-K66 WeakPolarHBondContact OD1-CE 3.39Å; D62-K66 IonicContact OD1-NZ 3.33Å; D62-K66 PolarHBondContact OD1-NZ 3.09Å; D62-K66 WeakPolarHBondContact OD2-CE 3.44Å; D62-K66 IonicContact OD2-NZ 2.99Å; D62-K66 PolarHBondContact OD2-NZ 2.68Å; M63-K66 PolarHBondContact O-N 3.46Å; M63-K66 HydrophobicContact SD-CD 3.61Å; K66-R68 PolarHBondContact O-N 3.41Å; K66-V69 PolarHBondContact O-N 3.41Å; K66-L70 PolarHBondContact O-N 3Å
67I92.8Very high91.9Very high27 Ų2731.8 Ų31.814%0.13817%0.174CC..Hα-helixtrans-60.1-46.3178-67165.2000111V23 L53 M63 L65 L70 Q71 L537V23-I67 HydrophobicContact CG1-CG1 4.48Å; L53-I67 HydrophobicContact CD2-CD1 3.76Å; L53-I67 HydrophobicContact CD2-CG1 3.95Å; M63-I67 VanDerWaalsContact O-CG1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.48Å; M63-I67 PolarHBondContact O-N 2.72Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 2.86Å; I67-L70 PolarHBondContact O-N 2.97Å; I67-Q71 WeakPolarHBondContact O-CG 3.35Å; I67-Q71 PolarHBondContact O-N 3.04Å; I67-L537 HydrophobicContact CG2-CD2 3.54Å
68R94.9Very high92.1Very high61 Ų6130.9 Ų30.923%0.2317%0.169CC..Hα-helixtrans-66.8-36.5179.4-70.3-80.4-171.5-137.73.4113P64 L65 K66 Q71 F72 M105 F109P64-R68 WeakPolarHBondContact O-CB 3.45Å; P64-R68 WeakPolarHBondContact O-CG 3.25Å; P64-R68 PolarHBondContact O-N 3.18Å; P64-R68 VanDerWaalsContact O-N 3.12Å; L65-R68 PolarHBondContact O-N 3.34Å; K66-R68 PolarHBondContact O-N 3.41Å; R68-Q71 WeakPolarHBondContact O-CB 3.27Å; R68-Q71 PolarHBondContact O-N 3.45Å; R68-F72 PolarHBondContact O-N 2.9Å; R68-M105 HydrophobicContact CB-CE 4.08Å; R68-M105 HydrophobicContact CB-CG 4.03Å; R68-M105 HydrophobicContact CB-SD 4.11Å; R68-F109 HydrophobicContact CB-CE2 4.26Å; R68-F109 HydrophobicContact CG-CE2 3.86Å; R68-F109 HydrophobicContact CG-CZ 4.1Å
69V95.4Very high92.3Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-62.2-45172.9160.70000110.9F27 L65 K66 F72 L73 M105 C189 L192F27-V69 HydrophobicContact CE2-CB 4.24Å; F27-V69 HydrophobicContact CE2-CG1 3.9Å; F27-V69 HydrophobicContact CZ-CB 4.48Å; F27-V69 HydrophobicContact CZ-CG1 3.98Å; L65-V69 HydrophobicContact CD1-CG2 4.15Å; L65-V69 HydrophobicContact CG-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CB 3.37Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.97Å; K66-V69 PolarHBondContact O-N 3.41Å; V69-F72 WeakPolarHBondContact O-CB 3.47Å; V69-F72 PolarHBondContact O-N 3.44Å; V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.03Å; V69-M105 HydrophobicContact CG2-CE 4Å; V69-C189 HydrophobicContact CG1-CB 3.68Å; V69-L192 HydrophobicContact CG2-CB 4.32Å; V69-L192 HydrophobicContact CG2-CD1 4.15Å
70L95.4Very high92.8Very high2 Ų226 Ų261%0.0113%0.134CC..Hα-helixtrans-66-41.7175.5-170.568.3000111.3F27 T30 F42 L49 K66 I67 F72 L73 S74 W538F27-L70 HydrophobicContact CD2-CB 4.24Å; F27-L70 HydrophobicContact CE2-CB 4.38Å; T30-L70 HydrophobicContact CG2-CD1 4.29Å; T30-L70 WeakPolarHBondContact OG1-CD1 3.38Å; F42-L70 HydrophobicContact CE2-CD1 3.73Å; F42-L70 HydrophobicContact CZ-CD1 4.09Å; L49-L70 HydrophobicContact CD2-CD2 3.37Å; K66-L70 PolarHBondContact O-N 3Å; I67-L70 PolarHBondContact O-N 2.97Å; L70-F72 PolarHBondContact O-N 3.28Å; L70-L73 PolarHBondContact O-N 3.49Å; L70-L73 VanDerWaalsContact O-N 3.12Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 3.26Å; L70-W538 HydrophobicContact CB-CH2 3.82Å; L70-W538 HydrophobicContact CD2-CH2 3.74Å; L70-W538 HydrophobicContact CD2-CZ2 4.23Å; L70-W538 HydrophobicContact CG-CH2 3.55Å; L70-W538 HydrophobicContact CG-CZ2 4.49Å; L70-W538 HydrophobicContact CG-CZ3 4.08Å; L70-W538 WeakPolarHBondContact O-CZ3 3.42Å
71Q95.7Very high93.3Very high8 Ų828.6 Ų28.64%0.03714%0.141CC..Hα-helixtrans-55.4-35.5174-79.4-162.1-64.500113.1I67 R68 R75 L101 L537 W538I67-Q71 WeakPolarHBondContact O-CG 3.35Å; I67-Q71 PolarHBondContact O-N 3.04Å; R68-Q71 WeakPolarHBondContact O-CB 3.27Å; R68-Q71 PolarHBondContact O-N 3.45Å; Q71-R75 VanDerWaalsContact O-CD 3.25Å; Q71-R75 WeakPolarHBondContact O-CD 3.28Å; Q71-R75 VanDerWaalsContact O-CG 3.29Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-NH1 3Å; Q71-L101 HydrophobicContact CB-CD2 3.56Å; Q71-L537 HydrophobicContact CG-CB 4.45Å; Q71-L537 HydrophobicContact CG-CD2 4.12Å; Q71-L537 VanDerWaalsContact NE2-CG 3.33Å; Q71-L537 PolarHBondContact NE2-O 3.07Å; Q71-W538 HydrophobicContact CB-CH2 4.17Å; Q71-W538 HydrophobicContact CB-CZ3 4.18Å; Q71-W538 HydrophobicContact CG-CE3 4.36Å; Q71-W538 HydrophobicContact CG-CH2 3.63Å; Q71-W538 HydrophobicContact CG-CZ2 3.89Å; Q71-W538 HydrophobicContact CG-CZ3 3.93Å; Q71-W538 VanDerWaalsContact N-CH2 3.3Å
72F97.8Very high93.9Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-72-52.3173.9179.1-99000110.9R68 V69 L70 S74 R75 I76 A98 L101 L102 M105 V119 I123 M185 F188R68-F72 PolarHBondContact O-N 2.9Å; V69-F72 WeakPolarHBondContact O-CB 3.47Å; V69-F72 PolarHBondContact O-N 3.44Å; L70-F72 PolarHBondContact O-N 3.28Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 2.77Å; F72-R75 PolarHBondContact O-N 3.19Å; F72-R75 VanDerWaalsContact O-N 3.08Å; F72-I76 HydrophobicContact CD1-CG1 4.12Å; F72-I76 HydrophobicContact CE1-CD1 4.43Å; F72-I76 HydrophobicContact CE1-CG1 3.86Å; F72-I76 HydrophobicContact CE2-CD1 4.3Å; F72-I76 HydrophobicContact CE2-CG1 4.34Å; F72-I76 HydrophobicContact CG-CG1 4.49Å; F72-I76 HydrophobicContact CZ-CD1 4.06Å; F72-I76 HydrophobicContact CZ-CG1 3.98Å; F72-I76 WeakPolarHBondContact O-CG1 3.49Å; F72-I76 PolarHBondContact O-N 2.94Å; F72-A98 HydrophobicContact CD2-CB 4.3Å; F72-A98 HydrophobicContact CE2-CB 4.29Å; F72-L101 HydrophobicContact CB-CD2 3.94Å; F72-L101 VanDerWaalsContact N-CD2 3.32Å; F72-L102 HydrophobicContact CD2-CB 4.45Å; F72-L102 HydrophobicContact CE2-CB 4.09Å; F72-L102 HydrophobicContact CE2-CD1 4.27Å; F72-M105 HydrophobicContact CB-SD 4.19Å; F72-V119 HydrophobicContact CZ-CG1 3.91Å; F72-I123 HydrophobicContact CE2-CD1 3.67Å; F72-I123 HydrophobicContact CZ-CD1 3.86Å; F72-M185 HydrophobicContact CE1-CB 4.08Å; F72-M185 HydrophobicContact CE1-CG 4.44Å; F72-M185 HydrophobicContact CE1-SD 4.1Å; F72-M185 HydrophobicContact CZ-SD 3.75Å; F72-F188 HydrophobicContact CE1-CD1 4.05Å; F72-F188 HydrophobicContact CE1-CE1 4.35Å; F72-F188 HydrophobicContact CZ-CD1 4.36Å; F72-F188 HydrophobicContact CZ-CE1 4.41Å
73L97.3Very high94.1Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-57.6-37.6180-70.9174.1000113.2F34 F42 V69 L70 I76 N77 L186 C189F34-L73 HydrophobicContact CD2-CB 4.38Å; F34-L73 HydrophobicContact CE1-CD2 4.17Å; F34-L73 HydrophobicContact CE2-CB 4.17Å; F34-L73 HydrophobicContact CE2-CD2 4.17Å; F34-L73 HydrophobicContact CZ-CD2 3.95Å; F42-L73 HydrophobicContact CE2-CB 4.41Å; F42-L73 HydrophobicContact CZ-CB 4.14Å; V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.03Å; L70-L73 PolarHBondContact O-N 3.49Å; L70-L73 VanDerWaalsContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 3.05Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.18Å; L73-L186 HydrophobicContact CD1-CD1 4.07Å; L73-L186 HydrophobicContact CD2-CB 4.49Å; L73-L186 HydrophobicContact CD2-CD1 4.27Å; L73-C189 HydrophobicContact CD1-CB 4.41Å; L73-C189 HydrophobicContact CD2-CB 4.44Å
74S96.7Very high94.3Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-70-35.4176.5-56.60000113.4F42 R46 L70 F72 N77 E78 W538F42-S74 WeakPolarHBondContact CE1-OG 3.31Å; F42-S74 VanDerWaalsContact CZ-OG 3.3Å; F42-S74 WeakPolarHBondContact CZ-OG 3.25Å; R46-S74 VanDerWaalsContact CD-OG 3.27Å; R46-S74 WeakPolarHBondContact CD-OG 3.07Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 3.26Å; F72-S74 VanDerWaalsContact C-N 3.3Å; F72-S74 PolarHBondContact O-N 2.77Å; S74-N77 PolarHBondContact O-N 3.11Å; S74-E78 WeakPolarHBondContact O-CG 3.23Å; S74-E78 PolarHBondContact O-N 3.38Å; S74-E78 VanDerWaalsContact O-N 3.16Å; S74-W538 VanDerWaalsContact OG-CZ3 3.25Å; S74-W538 WeakPolarHBondContact OG-CZ3 3.4Å
75R97.4Very high94.2Very high14 Ų1427.8 Ų27.85%0.05314%0.138CC..Hα-helixtrans-69.5-34.3174.2-72.1166.9172.269.13.8111.9Q71 F72 G79 F86 P94 S97 A98 L537Q71-R75 VanDerWaalsContact O-CD 3.25Å; Q71-R75 WeakPolarHBondContact O-CD 3.28Å; Q71-R75 VanDerWaalsContact O-CG 3.29Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-NH1 3Å; F72-R75 PolarHBondContact O-N 3.19Å; F72-R75 VanDerWaalsContact O-N 3.08Å; R75-G79 PolarHBondContact O-N 2.62Å; R75-F86 HydrophobicContact CG-CB 4.38Å; R75-F86 HydrophobicContact CG-CD1 3.61Å; R75-F86 HydrophobicContact CG-CD2 3.9Å; R75-F86 HydrophobicContact CG-CE1 3.75Å; R75-F86 HydrophobicContact CG-CE2 4.04Å; R75-F86 HydrophobicContact CG-CG 3.69Å; R75-F86 HydrophobicContact CG-CZ 3.96Å; R75-P94 WeakPolarHBondContact O-CB 3.34Å; R75-S97 WeakPolarHBondContact CD-OG 3.25Å; R75-S97 PolarHBondContact NE-OG 3.41Å; R75-A98 HydrophobicContact CB-CB 3.8Å; R75-L537 PolarHBondContact NH2-O 2.95Å
76I97.8Very high94.1Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-67.6-40.7169.2-65.1-56.1000111.3F34 F72 L73 G79 L95 A98 I123 F178 F181 R182 M185F34-I76 HydrophobicContact CZ-CG2 4.24Å; F72-I76 HydrophobicContact CD1-CG1 4.12Å; F72-I76 HydrophobicContact CE1-CD1 4.43Å; F72-I76 HydrophobicContact CE1-CG1 3.86Å; F72-I76 HydrophobicContact CE2-CD1 4.3Å; F72-I76 HydrophobicContact CE2-CG1 4.34Å; F72-I76 HydrophobicContact CG-CG1 4.49Å; F72-I76 HydrophobicContact CZ-CD1 4.06Å; F72-I76 HydrophobicContact CZ-CG1 3.98Å; F72-I76 WeakPolarHBondContact O-CG1 3.49Å; F72-I76 PolarHBondContact O-N 2.94Å; L73-I76 PolarHBondContact O-N 3.05Å; I76-G79 PolarHBondContact O-N 2.77Å; I76-G79 VanDerWaalsContact O-N 3.14Å; I76-L95 HydrophobicContact CD1-CD2 3.99Å; I76-A98 HydrophobicContact CD1-CB 3.87Å; I76-A98 HydrophobicContact CG1-CB 4.48Å; I76-I123 HydrophobicContact CD1-CG1 4.34Å; I76-F178 WeakPolarHBondContact O-CE1 3.45Å; I76-F178 WeakPolarHBondContact O-CZ 3.4Å; I76-F181 HydrophobicContact CD1-CE1 4.04Å; I76-F181 HydrophobicContact CD1-CZ 3.81Å; I76-F181 HydrophobicContact CG2-CE1 4.06Å; I76-R182 HydrophobicContact CG2-CG 4.28Å; I76-M185 HydrophobicContact CD1-CG 3.9Å; I76-M185 HydrophobicContact CD1-SD 4.1Å; I76-M185 HydrophobicContact CG1-CB 4.18Å; I76-M185 HydrophobicContact CG1-CG 3.94Å; I76-M185 HydrophobicContact CG2-CB 3.9Å; I76-M185 HydrophobicContact CG2-CG 3.77Å
77N96.4Very high94Very high8 Ų829.1 Ų29.14%0.04314%0.143CC..Hα-helixtrans-61.3-50.7-178-168.737.2000111.9F34 Y39 F42 C43 L73 S74 G79 R182F34-N77 HydrophobicContact CE2-CB 4.06Å; Y39-N77 WeakPolarHBondContact CD1-OD1 3.33Å; F42-N77 HydrophobicContact CD1-CB 4.27Å; F42-N77 WeakPolarHBondContact CD1-ND2 3.46Å; F42-N77 HydrophobicContact CE1-CB 3.85Å; C43-N77 PolarHBondContact SG-ND2 3.34Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 PolarHBondContact O-N 3.18Å; S74-N77 PolarHBondContact O-N 3.11Å; N77-G79 PolarHBondContact O-N 3.48Å; N77-R182 PolarHBondContact O-NH2 3.16Å; N77-R182 PolarHBondContact OD1-NE 3.34Å
78E95.1Very high93.6Very high14 Ų1431.8 Ų31.87%0.06516%0.162CC..THydrogen-bonded Turntrans-76.63.1178.5-50.6-68.3-17400112.7C43 R46 S74 E80 K81 V84 F86 P94C43-E78 PolarHBondContact SG-OE1 3.04Å; R46-E78 IonicContact CZ-OE1 3.46Å; R46-E78 IonicContact NH1-OE1 2.61Å; R46-E78 PolarHBondContact NH1-OE1 3Å; R46-E78 IonicContact NH2-OE1 3.72Å; S74-E78 WeakPolarHBondContact O-CG 3.23Å; S74-E78 PolarHBondContact O-N 3.38Å; S74-E78 VanDerWaalsContact O-N 3.16Å; E78-E80 PolarHBondContact O-N 2.92Å; E78-K81 WeakPolarHBondContact O-CB 3.47Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.35Å; E78-K81 IonicContact OE2-NZ 2.72Å; E78-K81 PolarHBondContact OE2-NZ 3.05Å; E78-V84 HydrophobicContact CB-CB 4.49Å; E78-V84 HydrophobicContact CB-CG1 4.12Å; E78-V84 HydrophobicContact CG-CG1 4.31Å; E78-F86 HydrophobicContact CB-CE2 4.04Å; E78-F86 HydrophobicContact CB-CZ 4.27Å; E78-F86 HydrophobicContact CG-CE2 4.13Å; E78-F86 HydrophobicContact CG-CZ 3.87Å; E78-P94 HydrophobicContact CB-CB 4.32Å; E78-P94 HydrophobicContact CB-CG 4.27Å
79G94.9Very high93.2Very high1 Ų134.1 Ų34.11%0.0118%0.179CC..THydrogen-bonded Turntrans-61.9-12.4-168.400000117.5R75 I76 N77 L95R75-G79 PolarHBondContact O-N 2.62Å; I76-G79 PolarHBondContact O-N 2.77Å; I76-G79 VanDerWaalsContact O-N 3.14Å; N77-G79 PolarHBondContact O-N 3.48Å; G79-L95 WeakPolarHBondContact O-CD1 3.49Å
80E92.3Very high92.7Very high71 Ų7140.7 Ų40.733%0.33221%0.21SC..THydrogen-bonded Turntrans-86.6-16.8173.6-59.4-177.893.100112.6E78 I130 F178 R182E78-E80 PolarHBondContact O-N 2.92Å; E80-I130 HydrophobicContact CG-CD1 4.17Å; E80-F178 VanDerWaalsContact CD-CG 3.42Å; E80-F178 HydrophobicContact CG-CB 4.27Å; E80-F178 HydrophobicContact CG-CD1 3.62Å; E80-F178 HydrophobicContact CG-CD2 3.5Å; E80-F178 VanDerWaalsContact CG-CD2 3.5Å; E80-F178 HydrophobicContact CG-CE1 3.74Å; E80-F178 HydrophobicContact CG-CE2 3.61Å; E80-F178 HydrophobicContact CG-CG 3.5Å; E80-F178 HydrophobicContact CG-CZ 3.74Å; E80-F178 WeakPolarHBondContact OE1-CB 3.27Å; E80-F178 WeakPolarHBondContact OE2-CD1 3.44Å; E80-R182 IonicContact OE2-CZ 3.59Å; E80-R182 IonicContact OE2-NH1 3.67Å; E80-R182 PolarHBondContact OE2-NH1 2.91Å; E80-R182 IonicContact OE2-NH2 2.71Å; E80-R182 PolarHBondContact OE2-NH2 2.68Å
81K92.1Very high92.3Very high101 Ų10143.5 Ų43.544%0.43923%0.23SC..  trans-96.1105.8-173.8-59.8178.9-173.2166.80110.8E78 D83 V84 P94E78-K81 WeakPolarHBondContact O-CB 3.47Å; E78-K81 PolarHBondContact O-N 3.4Å; E78-K81 WeakPolarHBondContact OE2-CD 3.35Å; E78-K81 WeakPolarHBondContact OE2-CE 3.35Å; E78-K81 IonicContact OE2-NZ 2.72Å; E78-K81 PolarHBondContact OE2-NZ 3.05Å; K81-D83 VanDerWaalsContact C-N 3.29Å; K81-D83 WeakPolarHBondContact CB-OD1 3.45Å; K81-D83 PolarHBondContact O-N 2.86Å; K81-V84 HydrophobicContact CB-CB 4.23Å; K81-V84 HydrophobicContact CB-CG2 3.74Å; K81-V84 HydrophobicContact CD-CG2 3.84Å; K81-V84 HydrophobicContact CG-CG2 4.47Å; K81-P94 WeakPolarHBondContact O-CD 3.3Å; K81-P94 WeakPolarHBondContact O-CG 3.24Å
82L91.3Very high92.1Very high48 Ų4845.8 Ų45.825%0.25124%0.24SC..THydrogen-bonded Turntrans-78.6-11.6-178.1-69.1-178000114.2T93 I130 F131 N134 V136L82-T93 HydrophobicContact CD2-CG2 3.46Å; L82-T93 VanDerWaalsContact CD2-CG2 3.46Å; L82-I130 HydrophobicContact CD1-CG2 4.43Å; L82-I130 HydrophobicContact CD2-CG2 3.81Å; L82-I130 HydrophobicContact CG-CG2 4.06Å; L82-F131 HydrophobicContact CD1-CD1 4.22Å; L82-F131 HydrophobicContact CD2-CD1 4.04Å; L82-F131 HydrophobicContact CD2-CE1 3.9Å; L82-N134 HydrophobicContact CD1-CB 3.49Å; L82-N134 VanDerWaalsContact CD1-CB 3.49Å; L82-V136 HydrophobicContact CD1-CG2 3.81Å
83D90.1Very high92Very high134 Ų13446.1 Ų46.172%0.71724%0.242SC*.THydrogen-bonded Turntrans-84.7-22.4175.658.9-57000113.2K81K81-D83 VanDerWaalsContact C-N 3.29Å; K81-D83 WeakPolarHBondContact CB-OD1 3.45Å; K81-D83 PolarHBondContact O-N 2.86Å
84V91Very high92Very high32 Ų3246.2 Ų46.219%0.19424%0.242CC..  trans-79.2130177.4177.30000110.2E78 K81 F86 P94E78-V84 HydrophobicContact CB-CB 4.49Å; E78-V84 HydrophobicContact CB-CG1 4.12Å; E78-V84 HydrophobicContact CG-CG1 4.31Å; K81-V84 HydrophobicContact CB-CB 4.23Å; K81-V84 HydrophobicContact CB-CG2 3.74Å; K81-V84 HydrophobicContact CD-CG2 3.84Å; K81-V84 HydrophobicContact CG-CG2 4.47Å; V84-F86 HydrophobicContact CG1-CD2 4.17Å; V84-F86 HydrophobicContact CG1-CE2 3.7Å; V84-F86 HydrophobicContact CG1-CZ 4.45Å; V84-P94 HydrophobicContact CB-CG 3.99Å; V84-P94 HydrophobicContact CG1-CG 4.14Å; V84-P94 VanDerWaalsContact O-CD 3.24Å; V84-P94 WeakPolarHBondContact O-CD 3.47Å; V84-P94 VanDerWaalsContact O-CG 3.3Å; V84-P94 WeakPolarHBondContact O-CG 3.41Å
85C89.7Confident92Very high32 Ų3246.3 Ų46.322%0.21624%0.243CC..  trans-126.1128.4177.2-72.40000111.3Q90C85-Q90 HydrophobicContact CB-CB 4.05Å; C85-Q90 HydrophobicContact CB-CG 3.91Å
86F90.5Very high92Very high13 Ų1347.1 Ų47.16%0.05725%0.247CC..  trans-95.2-21.5176.1-74.5-98.3000112.7R75 E78 V84 P94 W538R75-F86 HydrophobicContact CG-CB 4.38Å; R75-F86 HydrophobicContact CG-CD1 3.61Å; R75-F86 HydrophobicContact CG-CD2 3.9Å; R75-F86 HydrophobicContact CG-CE1 3.75Å; R75-F86 HydrophobicContact CG-CE2 4.04Å; R75-F86 HydrophobicContact CG-CG 3.69Å; R75-F86 HydrophobicContact CG-CZ 3.96Å; E78-F86 HydrophobicContact CB-CE2 4.04Å; E78-F86 HydrophobicContact CB-CZ 4.27Å; E78-F86 HydrophobicContact CG-CE2 4.13Å; E78-F86 HydrophobicContact CG-CZ 3.87Å; V84-F86 HydrophobicContact CG1-CD2 4.17Å; V84-F86 HydrophobicContact CG1-CE2 3.7Å; V84-F86 HydrophobicContact CG1-CZ 4.45Å; F86-P94 HydrophobicContact CD2-CB 3.9Å; F86-P94 HydrophobicContact CD2-CG 4.15Å; F86-P94 HydrophobicContact CE2-CB 3.7Å; F86-P94 HydrophobicContact CE2-CG 3.99Å; F86-W538 WeakPolarHBondContact CD1-O 3.12Å; F86-W538 WeakPolarHBondContact CE1-O 3.18Å
87E89.4Confident91.9Very high45 Ų4547.2 Ų47.221%0.2125%0.248CC..SBendtrans-86.6141.4175-47.9-60.2124.200110.2D89 Q90 K92 S97E87-D89 WeakPolarHBondContact CB-OD1 3.42Å; E87-D89 PolarHBondContact O-N 3.27Å; E87-Q90 PolarHBondContact O-N 3.13Å; E87-Q90 VanDerWaalsContact O-N 3.11Å; E87-K92 HydrophobicContact CG-CB 3.95Å; E87-K92 HydrophobicContact CG-CD 4Å; E87-K92 HydrophobicContact CG-CG 4.26Å; E87-S97 VanDerWaalsContact OE1-CB 3.31Å; E87-S97 WeakPolarHBondContact OE1-CB 3.4Å; E87-S97 PolarHBondContact OE1-OG 3.4Å
88P84.2Confident92Very high83 Ų8346.8 Ų46.854%0.53925%0.245SC..THydrogen-bonded Turntrans-67.6-21.1-176.727.9-35.7000113.7
89D87.3Confident92.1Very high110 Ų11046.3 Ų46.359%0.58824%0.243SC*.THydrogen-bonded Turntrans-87.7-3.2176.773.5-8000113.9E87 S91E87-D89 WeakPolarHBondContact CB-OD1 3.42Å; E87-D89 PolarHBondContact O-N 3.27Å; D89-S91 PolarHBondContact O-N 2.97Å; D89-S91 VanDerWaalsContact O-N 3.14Å; D89-S91 VanDerWaalsContact OD1-CB 3.24Å; D89-S91 WeakPolarHBondContact OD1-CB 3.35Å; D89-S91 PolarHBondContact OD1-N 2.77Å; D89-S91 PolarHBondContact OD1-OG 3.15Å; D89-S91 WeakPolarHBondContact OD2-CB 3.49Å; D89-S91 PolarHBondContact OD2-OG 2.85Å
90Q85.4Confident92.2Very high138 Ų13849.2 Ų49.265%0.64526%0.259SS*.  trans56.124-178-54.7179.12.100113.8C85 E87C85-Q90 HydrophobicContact CB-CB 4.05Å; C85-Q90 HydrophobicContact CB-CG 3.91Å; E87-Q90 PolarHBondContact O-N 3.13Å; E87-Q90 VanDerWaalsContact O-N 3.11Å
91S86.4Confident92.4Very high61 Ų6146.5 Ų46.543%0.42725%0.246SC..  trans-77.1-24.5-175.862.90000114.4D89D89-S91 PolarHBondContact O-N 2.97Å; D89-S91 VanDerWaalsContact O-N 3.14Å; D89-S91 VanDerWaalsContact OD1-CB 3.24Å; D89-S91 WeakPolarHBondContact OD1-CB 3.35Å; D89-S91 PolarHBondContact OD1-N 2.77Å; D89-S91 PolarHBondContact OD1-OG 3.15Å; D89-S91 WeakPolarHBondContact OD2-CB 3.49Å; D89-S91 PolarHBondContact OD2-OG 2.85Å
92K91.8Very high92.7Very high57 Ų5741.7 Ų41.725%0.24823%0.225CC..SBendtrans-123.9139.9-171.1-61176.4-159.1166.60111.9E87 E96 N100E87-K92 HydrophobicContact CG-CB 3.95Å; E87-K92 HydrophobicContact CG-CD 4Å; E87-K92 HydrophobicContact CG-CG 4.26Å; K92-E96 HydrophobicContact CB-CB 3.9Å; K92-E96 HydrophobicContact CG-CB 4.37Å; K92-N100 PolarHBondContact NZ-OD1 3.47Å
93T94.8Very high92.9Very high7 Ų743.3 Ų43.34%0.04323%0.232CC..  trans-64.9166.7167.660.70000111.9L82 L95 E96 S97 F131L82-T93 HydrophobicContact CD2-CG2 3.46Å; L82-T93 VanDerWaalsContact CD2-CG2 3.46Å; T93-L95 VanDerWaalsContact C-N 3.31Å; T93-L95 PolarHBondContact O-N 3.34Å; T93-E96 VanDerWaalsContact CB-OE2 3.3Å; T93-E96 WeakPolarHBondContact CB-OE2 3.37Å; T93-E96 VanDerWaalsContact CG2-OE2 3.25Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.24Å; T93-E96 PolarHBondContact N-OE2 3.03Å; T93-E96 PolarHBondContact O-N 2.86Å; T93-E96 WeakPolarHBondContact OG1-CB 3.38Å; T93-E96 VanDerWaalsContact OG1-CD 3.27Å; T93-E96 VanDerWaalsContact OG1-CG 3.28Å; T93-E96 WeakPolarHBondContact OG1-CG 3.48Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; T93-S97 PolarHBondContact O-N 3Å; T93-F131 HydrophobicContact CG2-CE1 3.67Å; T93-F131 HydrophobicContact CG2-CZ 3.9Å
94P97Very high93.2Very high1 Ų138.9 Ų38.91%0.00621%0.211CC..Hα-helixtrans-59-39.2178.4-26.137.3000113.2R75 E78 K81 V84 F86 S97 A98R75-P94 WeakPolarHBondContact O-CB 3.34Å; E78-P94 HydrophobicContact CB-CB 4.32Å; E78-P94 HydrophobicContact CB-CG 4.27Å; K81-P94 WeakPolarHBondContact O-CD 3.3Å; K81-P94 WeakPolarHBondContact O-CG 3.24Å; V84-P94 HydrophobicContact CB-CG 3.99Å; V84-P94 HydrophobicContact CG1-CG 4.14Å; V84-P94 VanDerWaalsContact O-CD 3.24Å; V84-P94 WeakPolarHBondContact O-CD 3.47Å; V84-P94 VanDerWaalsContact O-CG 3.3Å; V84-P94 WeakPolarHBondContact O-CG 3.41Å; F86-P94 HydrophobicContact CD2-CB 3.9Å; F86-P94 HydrophobicContact CD2-CG 4.15Å; F86-P94 HydrophobicContact CE2-CB 3.7Å; F86-P94 HydrophobicContact CE2-CG 3.99Å; P94-S97 PolarHBondContact O-N 3.5Å; P94-A98 WeakPolarHBondContact O-CB 3.45Å; P94-A98 PolarHBondContact O-N 3.03Å
95L97.4Very high93.4Very high3 Ų337.4 Ų37.42%0.01620%0.202CC..Hα-helixtrans-71.9-36.1178-64.8179.9000113I76 G79 T93 A98 L99 I123 M126 I127 I130 F178 F181I76-L95 HydrophobicContact CD1-CD2 3.99Å; G79-L95 WeakPolarHBondContact O-CD1 3.49Å; T93-L95 VanDerWaalsContact C-N 3.31Å; T93-L95 PolarHBondContact O-N 3.34Å; L95-A98 WeakPolarHBondContact O-CB 3.28Å; L95-A98 PolarHBondContact O-N 3.36Å; L95-L99 PolarHBondContact O-N 2.76Å; L95-I123 HydrophobicContact CB-CG2 4.38Å; L95-I123 WeakPolarHBondContact O-CG2 3.19Å; L95-M126 HydrophobicContact CD1-CB 4.16Å; L95-M126 HydrophobicContact CD1-CG 3.69Å; L95-I127 HydrophobicContact CB-CD1 4.25Å; L95-I127 HydrophobicContact CB-CG1 3.49Å; L95-I127 VanDerWaalsContact CB-CG1 3.49Å; L95-I127 HydrophobicContact CD1-CG1 4.28Å; L95-I130 HydrophobicContact CD1-CG1 4.01Å; L95-F178 HydrophobicContact CD1-CE2 4.28Å; L95-F178 HydrophobicContact CD2-CZ 4.39Å; L95-F181 HydrophobicContact CD2-CE1 3.93Å; L95-F181 HydrophobicContact CD2-CZ 4.15Å
96E96.2Very high93.7Very high31 Ų3139.3 Ų39.315%0.14521%0.207CC..Hα-helixtrans-64.8-41.7171.6-72.5164.1136.400110.5K92 T93 L99 N100 I127K92-E96 HydrophobicContact CB-CB 3.9Å; K92-E96 HydrophobicContact CG-CB 4.37Å; T93-E96 VanDerWaalsContact CB-OE2 3.3Å; T93-E96 WeakPolarHBondContact CB-OE2 3.37Å; T93-E96 VanDerWaalsContact CG2-OE2 3.25Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.24Å; T93-E96 PolarHBondContact N-OE2 3.03Å; T93-E96 PolarHBondContact O-N 2.86Å; T93-E96 WeakPolarHBondContact OG1-CB 3.38Å; T93-E96 VanDerWaalsContact OG1-CD 3.27Å; T93-E96 VanDerWaalsContact OG1-CG 3.28Å; T93-E96 WeakPolarHBondContact OG1-CG 3.48Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; E96-L99 PolarHBondContact O-N 3.39Å; E96-N100 PolarHBondContact O-N 2.91Å; E96-N100 VanDerWaalsContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 3.23Å; E96-I127 HydrophobicContact CG-CD1 3.94Å; E96-I127 HydrophobicContact CG-CG1 4.34Å; E96-I127 HydrophobicContact CG-CG2 4.21Å
97S97.2Very high93.9Very high1 Ų142.7 Ų42.71%0.00724%0.237CC..Hα-helixtrans-61.4-41.8171.6-1760000111.7R75 E87 T93 P94 L99 N100 L101R75-S97 WeakPolarHBondContact CD-OG 3.25Å; R75-S97 PolarHBondContact NE-OG 3.41Å; E87-S97 VanDerWaalsContact OE1-CB 3.31Å; E87-S97 WeakPolarHBondContact OE1-CB 3.4Å; E87-S97 PolarHBondContact OE1-OG 3.4Å; T93-S97 PolarHBondContact O-N 3Å; P94-S97 PolarHBondContact O-N 3.5Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.82Å; S97-N100 PolarHBondContact O-N 3.44Å; S97-L101 WeakPolarHBondContact O-CB 3.47Å; S97-L101 PolarHBondContact O-N 3.41Å
98A98.1Very high94Very high0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-60.2-39.317500000112.6F72 R75 I76 P94 L95 L101 L102F72-A98 HydrophobicContact CD2-CB 4.3Å; F72-A98 HydrophobicContact CE2-CB 4.29Å; R75-A98 HydrophobicContact CB-CB 3.8Å; I76-A98 HydrophobicContact CD1-CB 3.87Å; I76-A98 HydrophobicContact CG1-CB 4.48Å; P94-A98 WeakPolarHBondContact O-CB 3.45Å; P94-A98 PolarHBondContact O-N 3.03Å; L95-A98 WeakPolarHBondContact O-CB 3.28Å; L95-A98 PolarHBondContact O-N 3.36Å; A98-L101 PolarHBondContact O-N 2.91Å; A98-L102 WeakPolarHBondContact O-CB 3.25Å; A98-L102 PolarHBondContact O-N 3.34Å
99L97.9Very high94.4Very high4 Ų443.6 Ų43.62%0.02124%0.237CC..Hα-helixtrans-66-45.3176.2176.162.4000112.1L95 E96 S97 L101 L102 E103 S120 I123 K124 I127 Y147L95-L99 PolarHBondContact O-N 2.76Å; E96-L99 PolarHBondContact O-N 3.39Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.82Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 3.47Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-E103 WeakPolarHBondContact O-CG 3.3Å; L99-E103 PolarHBondContact O-N 3.28Å; L99-S120 VanDerWaalsContact CD1-OG 3.31Å; L99-S120 WeakPolarHBondContact CD1-OG 3.26Å; L99-I123 HydrophobicContact CB-CG2 3.99Å; L99-K124 HydrophobicContact CD1-CG 4.47Å; L99-K124 HydrophobicContact CD2-CD 4.4Å; L99-K124 VanDerWaalsContact CD2-CE 3.48Å; L99-K124 HydrophobicContact CD2-CG 3.94Å; L99-I127 HydrophobicContact CD2-CD1 4.29Å; L99-Y147 HydrophobicContact CD2-CE1 3.72Å
100N96Very high94.6Very high62 Ų6247.2 Ų47.233%0.33225%0.25SS..Hα-helixtrans-62.8-41175.8-76.3-113.4000110.8K92 E96 S97 E103 S104K92-N100 PolarHBondContact NZ-OD1 3.47Å; E96-N100 PolarHBondContact O-N 2.91Å; E96-N100 VanDerWaalsContact O-N 3.08Å; E96-N100 PolarHBondContact O-ND2 3.23Å; S97-N100 PolarHBondContact O-N 3.44Å; N100-E103 PolarHBondContact O-N 3.34Å; N100-S104 PolarHBondContact O-N 2.88Å
101L96.9Very high95Very high14 Ų1441.4 Ų41.47%0.07322%0.223CC..Hα-helixtrans-63.5-45.1176.2-178.864.7000111.2Q71 F72 S97 A98 L99 E103 S104 M105Q71-L101 HydrophobicContact CB-CD2 3.56Å; F72-L101 HydrophobicContact CB-CD2 3.94Å; F72-L101 VanDerWaalsContact N-CD2 3.32Å; S97-L101 WeakPolarHBondContact O-CB 3.47Å; S97-L101 PolarHBondContact O-N 3.41Å; A98-L101 PolarHBondContact O-N 2.91Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 3.47Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.94Å; L101-S104 CarbonylContact O-C 3.51Å; L101-S104 WeakPolarHBondContact O-CA 3.36Å; L101-S104 PolarHBondContact O-N 3.27Å; L101-S104 VanDerWaalsContact O-N 3.12Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-M105 HydrophobicContact CD1-CG 4.43Å; L101-M105 HydrophobicContact CG-CG 4.38Å; L101-M105 HydrophobicContact CG-SD 4.09Å; L101-M105 VanDerWaalsContact O-CG 3.3Å; L101-M105 WeakPolarHBondContact O-CG 3.45Å; L101-M105 PolarHBondContact O-N 3.42Å
102L97.8Very high95.4Very high0 Ų041.6 Ų41.60%022%0.224CC..Hα-helixtrans-58.7-41.6175.3-179.371.5000112.2F72 A98 L99 M105 K106 F116 V119 I123 F188F72-L102 HydrophobicContact CD2-CB 4.45Å; F72-L102 HydrophobicContact CE2-CB 4.09Å; F72-L102 HydrophobicContact CE2-CD1 4.27Å; A98-L102 WeakPolarHBondContact O-CB 3.25Å; A98-L102 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 3.41Å; L102-M105 PolarHBondContact O-N 3.03Å; L102-K106 PolarHBondContact O-N 3.37Å; L102-F116 HydrophobicContact CD1-CD2 4.36Å; L102-F116 HydrophobicContact CD2-CD2 4.1Å; L102-F116 HydrophobicContact CD2-CE2 4.12Å; L102-F116 HydrophobicContact CG-CD2 3.85Å; L102-F116 HydrophobicContact CG-CE2 3.88Å; L102-V119 HydrophobicContact CD1-CG1 4.25Å; L102-V119 HydrophobicContact CD2-CB 4.29Å; L102-V119 HydrophobicContact CD2-CG1 3.78Å; L102-I123 HydrophobicContact CD2-CD1 3.93Å; L102-F188 HydrophobicContact CD1-CE1 3.54Å; L102-F188 HydrophobicContact CD1-CZ 3.58Å
103E96.6Very high95.5Very high82 Ų8243.6 Ų43.638%0.38323%0.234SC..Hα-helixtrans-63.5-41.2174.6-75.2168.8-176.200111.2L99 N100 L101 K106 A107 F116 K124L99-E103 WeakPolarHBondContact O-CG 3.3Å; L99-E103 PolarHBondContact O-N 3.28Å; N100-E103 PolarHBondContact O-N 3.34Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.94Å; E103-K106 PolarHBondContact O-N 3.06Å; E103-A107 PolarHBondContact O-N 3.38Å; E103-F116 HydrophobicContact CG-CE2 4Å; E103-F116 HydrophobicContact CG-CZ 3.85Å; E103-K124 IonicContact OE1-NZ 2.78Å
104S95.9Very high95.6Very high41 Ų4146.8 Ų46.829%0.28726%0.261SS..Hα-helixtrans-67.6-34.9172.382.10000113.3N100 L101 A107 N108N100-S104 PolarHBondContact O-N 2.88Å; L101-S104 CarbonylContact O-C 3.51Å; L101-S104 WeakPolarHBondContact O-CA 3.36Å; L101-S104 PolarHBondContact O-N 3.27Å; L101-S104 VanDerWaalsContact O-N 3.12Å; L101-S104 PolarHBondContact O-OG 3.26Å; S104-A107 PolarHBondContact O-N 2.75Å; S104-N108 PolarHBondContact O-N 3.2Å; S104-N108 PolarHBondContact O-ND2 3.48Å
105M95.3Very high95.5Very high0 Ų048.2 Ų48.20%027%0.268CS..Hα-helixtrans-68-40177.5-71.7172.568.500110.7L65 R68 V69 F72 L101 L102 A107 N108 F109 I111 L192L65-M105 HydrophobicContact CD1-CE 4.17Å; R68-M105 HydrophobicContact CB-CE 4.08Å; R68-M105 HydrophobicContact CB-CG 4.03Å; R68-M105 HydrophobicContact CB-SD 4.11Å; V69-M105 HydrophobicContact CG2-CE 4Å; F72-M105 HydrophobicContact CB-SD 4.19Å; L101-M105 HydrophobicContact CD1-CG 4.43Å; L101-M105 HydrophobicContact CG-CG 4.38Å; L101-M105 HydrophobicContact CG-SD 4.09Å; L101-M105 VanDerWaalsContact O-CG 3.3Å; L101-M105 WeakPolarHBondContact O-CG 3.45Å; L101-M105 PolarHBondContact O-N 3.42Å; L102-M105 PolarHBondContact O-N 3.03Å; M105-A107 VanDerWaalsContact C-N 3.26Å; M105-A107 PolarHBondContact O-N 2.81Å; M105-N108 PolarHBondContact O-N 2.96Å; M105-F109 HydrophobicContact CB-CD2 4.29Å; M105-F109 WeakPolarHBondContact O-CB 3.48Å; M105-F109 WeakPolarHBondContact O-CD2 3.32Å; M105-F109 PolarHBondContact O-N 3.07Å; M105-I111 HydrophobicContact CB-CD1 3.71Å; M105-L192 HydrophobicContact CE-CD1 3.78Å
106K95.1Very high95.4Very high73 Ų7348.9 Ų48.932%0.31727%0.271SS..Hα-helixtrans-61.7-33.6172176.6-179.7177.5-176.80112.9L102 E103 N108 F116L102-K106 PolarHBondContact O-N 3.37Å; E103-K106 PolarHBondContact O-N 3.06Å; K106-N108 VanDerWaalsContact C-N 3.35Å; K106-F116 HydrophobicContact CB-CD2 3.86Å; K106-F116 HydrophobicContact CB-CE2 4.01Å; K106-F116 HydrophobicContact CD-CB 4.37Å; K106-F116 HydrophobicContact CD-CD1 3.75Å; K106-F116 HydrophobicContact CD-CD2 3.58Å; K106-F116 HydrophobicContact CD-CE1 3.87Å; K106-F116 HydrophobicContact CD-CE2 3.69Å; K106-F116 HydrophobicContact CD-CG 3.61Å; K106-F116 HydrophobicContact CD-CZ 3.84Å; K106-F116 HydrophobicContact CG-CD2 4.25Å; K106-F116 HydrophobicContact CG-CE2 4.49Å
107A94.8Very high95.4Very high83 Ų8351.4 Ų51.469%0.68629%0.286SS*.Hα-helixtrans-73.2-26178.400000113.3E103 S104 M105E103-A107 PolarHBondContact O-N 3.38Å; S104-A107 PolarHBondContact O-N 2.75Å; M105-A107 VanDerWaalsContact C-N 3.26Å; M105-A107 PolarHBondContact O-N 2.81Å
108N92.8Very high95.4Very high111 Ų11157 Ų5759%0.59431%0.308SS*.Hα-helixtrans-109.7-17.3-173.6-68-76000114.6S104 M105 K106S104-N108 PolarHBondContact O-N 3.2Å; S104-N108 PolarHBondContact O-ND2 3.48Å; M105-N108 PolarHBondContact O-N 2.96Å; K106-N108 VanDerWaalsContact C-N 3.35Å
109F91.6Very high95.3Very high37 Ų3757 Ų5716%0.16231%0.308CS..SBendtrans-136.8155.1-175.8-51.7-82.7000111.3P64 L65 R68 M105 I111P64-F109 HydrophobicContact CB-CE1 4.19Å; P64-F109 HydrophobicContact CB-CZ 4.09Å; L65-F109 HydrophobicContact CB-CD1 4.02Å; L65-F109 HydrophobicContact CB-CE1 3.84Å; L65-F109 HydrophobicContact CB-CZ 4.39Å; L65-F109 HydrophobicContact CD1-CB 4.3Å; L65-F109 HydrophobicContact CD1-CD1 4.06Å; L65-F109 HydrophobicContact CD1-CD2 4.07Å; L65-F109 HydrophobicContact CD1-CE1 4.41Å; L65-F109 HydrophobicContact CD1-CE2 4.45Å; L65-F109 HydrophobicContact CD1-CG 3.88Å; L65-F109 HydrophobicContact CG-CD1 4.42Å; R68-F109 HydrophobicContact CB-CE2 4.26Å; R68-F109 HydrophobicContact CG-CE2 3.86Å; R68-F109 HydrophobicContact CG-CZ 4.1Å; M105-F109 HydrophobicContact CB-CD2 4.29Å; M105-F109 WeakPolarHBondContact O-CB 3.48Å; M105-F109 WeakPolarHBondContact O-CD2 3.32Å; M105-F109 PolarHBondContact O-N 3.07Å; F109-I111 VanDerWaalsContact C-N 3.26Å; F109-I111 PolarHBondContact O-N 3.41Å
110Q91Very high95.3Very high185 Ų18557 Ų5786%0.86431%0.308SS*.  trans-76.567.7-174.8-63.67418.700112.6
111I94.1Very high95.2Very high16 Ų1657 Ų578%0.08231%0.311CS..  trans-80.7125.7176.6-57.3-169.3000110.4M105 F109 Q113 F116 F188 L192M105-I111 HydrophobicContact CB-CD1 3.71Å; F109-I111 VanDerWaalsContact C-N 3.26Å; F109-I111 PolarHBondContact O-N 3.41Å; I111-Q113 PolarHBondContact O-N 2.82Å; I111-F116 HydrophobicContact CG2-CB 4Å; I111-F188 HydrophobicContact CD1-CZ 4.3Å; I111-F188 HydrophobicContact CG2-CE2 4.02Å; I111-F188 HydrophobicContact CG2-CZ 4.06Å; I111-L192 HydrophobicContact CB-CD2 4.45Å; I111-L192 HydrophobicContact CD1-CD1 4.07Å; I111-L192 HydrophobicContact CD1-CD2 4.27Å; I111-L192 HydrophobicContact CG1-CD2 3.94Å; I111-L192 HydrophobicContact CG2-CD2 4.17Å
112P94.8Very high95.1Very high66 Ų6657.9 Ų57.943%0.42932%0.315SS..  trans-56.4130.5175.3-2634.8000112.5A114 D115 F116P112-A114 PolarHBondContact O-N 2.98Å; P112-A114 VanDerWaalsContact O-N 3.14Å; P112-D115 HydrophobicContact CB-CB 4.37Å; P112-D115 PolarHBondContact O-N 3.44Å; P112-F116 PolarHBondContact O-N 2.94Å
113Q94.6Very high95.1Very high98 Ų9857.9 Ų57.946%0.45832%0.315SS..Hα-helixtrans-60.7-27-176.4178.458.192.900113I111 N117I111-Q113 PolarHBondContact O-N 2.82Å; Q113-N117 PolarHBondContact NE2-ND2 3.46Å; Q113-N117 PolarHBondContact NE2-OD1 3.18Å; Q113-N117 WeakPolarHBondContact O-CB 3.4Å; Q113-N117 VanDerWaalsContact O-CG 3.25Å; Q113-N117 PolarHBondContact O-N 3.21Å; Q113-N117 PolarHBondContact O-ND2 3.14Å
114A95.7Very high95Very high75 Ų7555.9 Ų55.962%0.6231%0.305SS*.Hα-helixtrans-70.1-53.7173.800000112P112 F116 N117 Y118P112-A114 PolarHBondContact O-N 2.98Å; P112-A114 VanDerWaalsContact O-N 3.14Å; A114-F116 VanDerWaalsContact C-N 3.35Å; A114-F116 PolarHBondContact O-N 2.71Å; A114-N117 PolarHBondContact O-N 3.18Å; A114-Y118 PolarHBondContact O-N 2.61Å
115D95.3Very high94.8Very high30 Ų3056.3 Ų56.316%0.1630%0.302CS..Hα-helixtrans-59.4-43.6177.5-72.2-75.5000111.9P112 N117 Y118 V119 F188 K191P112-D115 HydrophobicContact CB-CB 4.37Å; P112-D115 PolarHBondContact O-N 3.44Å; D115-N117 PolarHBondContact O-N 3.11Å; D115-Y118 PolarHBondContact O-N 2.73Å; D115-V119 WeakPolarHBondContact O-CB 3.42Å; D115-V119 VanDerWaalsContact O-CG2 3.3Å; D115-V119 WeakPolarHBondContact O-CG2 3.32Å; D115-V119 PolarHBondContact O-N 3.22Å; D115-F188 HydrophobicContact CB-CD2 4.07Å; D115-F188 HydrophobicContact CB-CE2 3.96Å; D115-K191 WeakPolarHBondContact OD1-CD 3.46Å; D115-K191 IonicContact OD1-NZ 2.65Å; D115-K191 PolarHBondContact OD1-NZ 2.84Å
116F96.6Very high94.8Very high17 Ų1756.9 Ų56.98%0.07531%0.305CS..Hα-helixtrans-57.1-46.8174.2171.3-92000112.4L102 E103 K106 I111 P112 A114 S120L102-F116 HydrophobicContact CD1-CD2 4.36Å; L102-F116 HydrophobicContact CD2-CD2 4.1Å; L102-F116 HydrophobicContact CD2-CE2 4.12Å; L102-F116 HydrophobicContact CG-CD2 3.85Å; L102-F116 HydrophobicContact CG-CE2 3.88Å; E103-F116 HydrophobicContact CG-CE2 4Å; E103-F116 HydrophobicContact CG-CZ 3.85Å; K106-F116 HydrophobicContact CB-CD2 3.86Å; K106-F116 HydrophobicContact CB-CE2 4.01Å; K106-F116 HydrophobicContact CD-CB 4.37Å; K106-F116 HydrophobicContact CD-CD1 3.75Å; K106-F116 HydrophobicContact CD-CD2 3.58Å; K106-F116 HydrophobicContact CD-CE1 3.87Å; K106-F116 HydrophobicContact CD-CE2 3.69Å; K106-F116 HydrophobicContact CD-CG 3.61Å; K106-F116 HydrophobicContact CD-CZ 3.84Å; K106-F116 HydrophobicContact CG-CD2 4.25Å; K106-F116 HydrophobicContact CG-CE2 4.49Å; I111-F116 HydrophobicContact CG2-CB 4Å; P112-F116 PolarHBondContact O-N 2.94Å; A114-F116 VanDerWaalsContact C-N 3.35Å; A114-F116 PolarHBondContact O-N 2.71Å; F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 2.78Å
117N95.8Very high94.8Very high84 Ų8453.5 Ų53.545%0.44929%0.291SS..Hα-helixtrans-65.2-41.6-179-79.5-11.6000111.6Q113 A114 D115 T121Q113-N117 PolarHBondContact NE2-ND2 3.46Å; Q113-N117 PolarHBondContact NE2-OD1 3.18Å; Q113-N117 WeakPolarHBondContact O-CB 3.4Å; Q113-N117 VanDerWaalsContact O-CG 3.25Å; Q113-N117 PolarHBondContact O-N 3.21Å; Q113-N117 PolarHBondContact O-ND2 3.14Å; A114-N117 PolarHBondContact O-N 3.18Å; D115-N117 PolarHBondContact O-N 3.11Å; N117-T121 WeakPolarHBondContact O-CB 3.34Å; N117-T121 PolarHBondContact O-N 3.31Å; N117-T121 PolarHBondContact O-OG1 2.89Å
118Y96.2Very high94.7Very high119 Ų11949.6 Ų49.647%0.46726%0.258SS..Hα-helixtrans-61.1-54.5176.3171.5-117.8000111.4A114 D115 S120 T121 L122A114-Y118 PolarHBondContact O-N 2.61Å; D115-Y118 PolarHBondContact O-N 2.73Å; Y118-S120 PolarHBondContact O-N 3.41Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.64Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; Y118-L122 HydrophobicContact CD1-CD1 4.3Å; Y118-L122 HydrophobicContact CD2-CD1 4.37Å; Y118-L122 HydrophobicContact CD2-CG 4.44Å; Y118-L122 HydrophobicContact CE1-CD1 3.79Å; Y118-L122 HydrophobicContact CE2-CD1 3.85Å; Y118-L122 HydrophobicContact CE2-CD2 4.38Å; Y118-L122 HydrophobicContact CE2-CG 4.14Å; Y118-L122 PolarHBondContact O-N 3.41Å
119V97.4Very high94.6Very high0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-65.6-41.9-178.41740000111.9F72 L102 D115 T121 L122 I123 M185 F188F72-V119 HydrophobicContact CZ-CG1 3.91Å; L102-V119 HydrophobicContact CD1-CG1 4.25Å; L102-V119 HydrophobicContact CD2-CB 4.29Å; L102-V119 HydrophobicContact CD2-CG1 3.78Å; D115-V119 WeakPolarHBondContact O-CB 3.42Å; D115-V119 VanDerWaalsContact O-CG2 3.3Å; D115-V119 WeakPolarHBondContact O-CG2 3.32Å; D115-V119 PolarHBondContact O-N 3.22Å; V119-T121 VanDerWaalsContact C-N 3.26Å; V119-T121 PolarHBondContact O-N 2.84Å; V119-L122 PolarHBondContact O-N 3.31Å; V119-I123 HydrophobicContact CG1-CD1 3.93Å; V119-I123 HydrophobicContact CG1-CG1 4.48Å; V119-I123 WeakPolarHBondContact O-CG1 3.4Å; V119-I123 PolarHBondContact O-N 2.91Å; V119-M185 HydrophobicContact CG1-CE 3.98Å; V119-M185 HydrophobicContact CG1-SD 3.77Å; V119-M185 HydrophobicContact CG2-CE 4.32Å; V119-F188 HydrophobicContact CG1-CD1 4.03Å; V119-F188 HydrophobicContact CG1-CE1 4.14Å; V119-F188 HydrophobicContact CG1-CG 4.43Å; V119-F188 HydrophobicContact CG2-CB 3.8Å; V119-F188 HydrophobicContact CG2-CD1 4.01Å; V119-F188 HydrophobicContact CG2-CD2 3.68Å; V119-F188 HydrophobicContact CG2-CE1 4.48Å; V119-F188 HydrophobicContact CG2-CE2 4.18Å; V119-F188 HydrophobicContact CG2-CG 3.56Å
120S97Very high94.7Very high5 Ų543 Ų434%0.03522%0.224CC..Hα-helixtrans-59.3-39.1174.2-168.40000111.3L99 F116 Y118 K124L99-S120 VanDerWaalsContact CD1-OG 3.31Å; L99-S120 WeakPolarHBondContact CD1-OG 3.26Å; F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 2.78Å; Y118-S120 PolarHBondContact O-N 3.41Å; S120-K124 WeakPolarHBondContact O-CB 2.78Å; S120-K124 VanDerWaalsContact O-CD 3.3Å; S120-K124 WeakPolarHBondContact O-CD 3.24Å; S120-K124 WeakPolarHBondContact O-CG 3.24Å; S120-K124 PolarHBondContact O-N 3.37Å; S120-K124 WeakPolarHBondContact OG-CE 3.24Å; S120-K124 PolarHBondContact OG-NZ 2.67Å
121T94.1Very high94.8Very high62 Ų6234.2 Ų34.238%0.3818%0.184SC..Hα-helixtrans-67.5-44.8175.9-560000111.7N117 Y118 V119 I123 K124 E125 F148N117-T121 WeakPolarHBondContact O-CB 3.34Å; N117-T121 PolarHBondContact O-N 3.31Å; N117-T121 PolarHBondContact O-OG1 2.89Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.64Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; V119-T121 VanDerWaalsContact C-N 3.26Å; V119-T121 PolarHBondContact O-N 2.84Å; T121-I123 PolarHBondContact O-N 3.08Å; T121-K124 PolarHBondContact O-N 3.06Å; T121-E125 PolarHBondContact O-N 3.3Å; T121-F148 HydrophobicContact CG2-CE1 4.26Å
122L95.1Very high94.7Very high32 Ų3233.5 Ų33.517%0.16818%0.18CC..Hα-helixtrans-59.7-45.2176.8-71.7176.7000112.3Y118 V119 K124 E125 M126 F181 E184 M185Y118-L122 HydrophobicContact CD1-CD1 4.3Å; Y118-L122 HydrophobicContact CD2-CD1 4.37Å; Y118-L122 HydrophobicContact CD2-CG 4.44Å; Y118-L122 HydrophobicContact CE1-CD1 3.79Å; Y118-L122 HydrophobicContact CE2-CD1 3.85Å; Y118-L122 HydrophobicContact CE2-CD2 4.38Å; Y118-L122 HydrophobicContact CE2-CG 4.14Å; Y118-L122 PolarHBondContact O-N 3.41Å; V119-L122 PolarHBondContact O-N 3.31Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.28Å; L122-E125 PolarHBondContact O-N 3.39Å; L122-M126 WeakPolarHBondContact O-CB 3.49Å; L122-M126 PolarHBondContact O-N 3.3Å; L122-F181 HydrophobicContact CB-CD2 4.31Å; L122-F181 HydrophobicContact CB-CE2 4.1Å; L122-E184 HydrophobicContact CD1-CB 4.35Å; L122-E184 WeakPolarHBondContact CD1-OE2 3.5Å; L122-M185 HydrophobicContact CB-CE 4.03Å; L122-M185 HydrophobicContact CD1-CE 3.61Å
123I97.3Very high94.5Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-62.9-42.4176.4-61.6164.4000110.2F72 I76 L95 L99 L102 V119 T121 M126 I127 F181 M185F72-I123 HydrophobicContact CE2-CD1 3.67Å; F72-I123 HydrophobicContact CZ-CD1 3.86Å; I76-I123 HydrophobicContact CD1-CG1 4.34Å; L95-I123 HydrophobicContact CB-CG2 4.38Å; L95-I123 WeakPolarHBondContact O-CG2 3.19Å; L99-I123 HydrophobicContact CB-CG2 3.99Å; L102-I123 HydrophobicContact CD2-CD1 3.93Å; V119-I123 HydrophobicContact CG1-CD1 3.93Å; V119-I123 HydrophobicContact CG1-CG1 4.48Å; V119-I123 WeakPolarHBondContact O-CG1 3.4Å; V119-I123 PolarHBondContact O-N 2.91Å; T121-I123 PolarHBondContact O-N 3.08Å; I123-M126 PolarHBondContact O-N 3.03Å; I123-I127 HydrophobicContact CG2-CD1 3.83Å; I123-I127 HydrophobicContact CG2-CG1 4.25Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.39Å; I123-I127 PolarHBondContact O-N 3.08Å; I123-F181 HydrophobicContact CG1-CE2 4.21Å; I123-F181 HydrophobicContact CG1-CZ 4.08Å; I123-M185 HydrophobicContact CD1-SD 4.37Å; I123-M185 HydrophobicContact CG1-SD 4.01Å
124K95.1Very high94.3Very high40 Ų4034 Ų3417%0.17418%0.178CC..Hα-helixtrans-65.1-39.5177.9-73.7165177.81560112.8L99 E103 S120 T121 L122 L128 Y147 F148L99-K124 HydrophobicContact CD1-CG 4.47Å; L99-K124 HydrophobicContact CD2-CD 4.4Å; L99-K124 VanDerWaalsContact CD2-CE 3.48Å; L99-K124 HydrophobicContact CD2-CG 3.94Å; E103-K124 IonicContact OE1-NZ 2.78Å; S120-K124 WeakPolarHBondContact O-CB 2.78Å; S120-K124 VanDerWaalsContact O-CD 3.3Å; S120-K124 WeakPolarHBondContact O-CD 3.24Å; S120-K124 WeakPolarHBondContact O-CG 3.24Å; S120-K124 PolarHBondContact O-N 3.37Å; S120-K124 WeakPolarHBondContact OG-CE 3.24Å; S120-K124 PolarHBondContact OG-NZ 2.67Å; T121-K124 PolarHBondContact O-N 3.06Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.4Å; K124-Y147 HydrophobicContact CB-CD2 4.1Å; K124-Y147 HydrophobicContact CB-CG 4.12Å; K124-Y147 HydrophobicContact CD-CD1 4Å; K124-Y147 HydrophobicContact CD-CG 4.02Å; K124-Y147 HydrophobicContact CG-CD1 3.94Å; K124-Y147 HydrophobicContact CG-CD2 3.89Å; K124-Y147 HydrophobicContact CG-CE1 4.4Å; K124-Y147 HydrophobicContact CG-CE2 4.34Å; K124-Y147 HydrophobicContact CG-CG 3.67Å; K124-F148 HydrophobicContact CB-CE2 3.97Å; K124-F148 HydrophobicContact CB-CZ 3.77Å
125E92.1Very high94.1Very high49 Ų4932 Ų3223%0.22916%0.164CC..Hα-helixtrans-65.2-41.3171.4-71.4-161.8167.700110.6T121 L122 L128 V129 F148 K155T121-E125 PolarHBondContact O-N 3.3Å; L122-E125 PolarHBondContact O-N 3.39Å; E125-L128 PolarHBondContact O-N 3.29Å; E125-V129 VanDerWaalsContact O-CG2 3.25Å; E125-V129 WeakPolarHBondContact O-CG2 3.43Å; E125-V129 PolarHBondContact O-N 2.93Å; E125-F148 HydrophobicContact CB-CZ 4.46Å; E125-F148 HydrophobicContact CG-CE1 4.03Å; E125-F148 HydrophobicContact CG-CZ 3.61Å; E125-K155 IonicContact OE1-NZ 2.65Å; E125-K155 PolarHBondContact OE1-NZ 3.37Å; E125-K155 IonicContact OE2-NZ 2.75Å; E125-K155 PolarHBondContact OE2-NZ 3.42Å
126M94.8Very high94Very high12 Ų1232.9 Ų32.96%0.05917%0.171CC..Hα-helixtrans-69.3-40.4-179.2-167.559.478.500113.5L95 L122 I123 L128 V129 I130 I176 F178 F181L95-M126 HydrophobicContact CD1-CB 4.16Å; L95-M126 HydrophobicContact CD1-CG 3.69Å; L122-M126 WeakPolarHBondContact O-CB 3.49Å; L122-M126 PolarHBondContact O-N 3.3Å; I123-M126 PolarHBondContact O-N 3.03Å; M126-L128 VanDerWaalsContact C-N 3.28Å; M126-L128 PolarHBondContact O-N 2.96Å; M126-V129 PolarHBondContact O-N 3.43Å; M126-V129 VanDerWaalsContact O-N 3.11Å; M126-I130 HydrophobicContact CG-CG1 4.11Å; M126-I130 WeakPolarHBondContact O-CG1 3.25Å; M126-I130 PolarHBondContact O-N 2.68Å; M126-I130 HydrophobicContact SD-CD1 4.3Å; M126-I130 HydrophobicContact SD-CG1 4.15Å; M126-I176 HydrophobicContact CE-CG2 3.59Å; M126-I176 HydrophobicContact SD-CG2 3.9Å; M126-F178 HydrophobicContact CE-CD2 3.82Å; M126-F178 HydrophobicContact CE-CE2 4.42Å; M126-F178 HydrophobicContact CE-CG 4.47Å; M126-F178 HydrophobicContact CG-CD2 3.88Å; M126-F178 HydrophobicContact CG-CE2 3.66Å; M126-F178 HydrophobicContact SD-CD2 3.56Å; M126-F178 VanDerWaalsContact SD-CD2 3.56Å; M126-F178 HydrophobicContact SD-CE2 4Å; M126-F181 HydrophobicContact CB-CD2 4.47Å; M126-F181 HydrophobicContact CB-CE1 4.39Å; M126-F181 HydrophobicContact CB-CE2 4.16Å; M126-F181 HydrophobicContact CB-CZ 4.11Å; M126-F181 HydrophobicContact CE-CB 3.46Å; M126-F181 VanDerWaalsContact CE-CB 3.46Å; M126-F181 HydrophobicContact CE-CD1 3.89Å; M126-F181 HydrophobicContact CE-CD2 4.12Å; M126-F181 HydrophobicContact CE-CG 3.57Å; M126-F181 HydrophobicContact CG-CD1 4.13Å; M126-F181 HydrophobicContact CG-CE1 4.02Å; M126-F181 HydrophobicContact CG-CG 4.45Å; M126-F181 HydrophobicContact CG-CZ 4.25Å
127I95Very high93.8Very high3 Ų333.2 Ų33.22%0.01517%0.172CC..Hα-helixtrans-53.1-47.7174.9-72162.1000110.6L95 E96 L99 I123 V129 F131 A143 Y147L95-I127 HydrophobicContact CB-CD1 4.25Å; L95-I127 HydrophobicContact CB-CG1 3.49Å; L95-I127 VanDerWaalsContact CB-CG1 3.49Å; L95-I127 HydrophobicContact CD1-CG1 4.28Å; E96-I127 HydrophobicContact CG-CD1 3.94Å; E96-I127 HydrophobicContact CG-CG1 4.34Å; E96-I127 HydrophobicContact CG-CG2 4.21Å; L99-I127 HydrophobicContact CD2-CD1 4.29Å; I123-I127 HydrophobicContact CG2-CD1 3.83Å; I123-I127 HydrophobicContact CG2-CG1 4.25Å; I123-I127 VanDerWaalsContact O-CG1 3.27Å; I123-I127 WeakPolarHBondContact O-CG1 3.39Å; I123-I127 PolarHBondContact O-N 3.08Å; I127-V129 PolarHBondContact O-N 3.48Å; I127-F131 HydrophobicContact CG2-CD2 3.73Å; I127-F131 HydrophobicContact CG2-CE2 3.34Å; I127-F131 HydrophobicContact CG2-CZ 4.13Å; I127-F131 VanDerWaalsContact O-CD2 3.32Å; I127-F131 WeakPolarHBondContact O-CD2 3.28Å; I127-F131 WeakPolarHBondContact O-CG 3.44Å; I127-F131 PolarHBondContact O-N 2.81Å; I127-A143 HydrophobicContact CG2-CB 4.39Å; I127-Y147 HydrophobicContact CB-CE2 4.49Å; I127-Y147 HydrophobicContact CD1-CE2 3.94Å; I127-Y147 HydrophobicContact CG2-CE2 4.14Å
128L92.8Very high93.6Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-59.4-46.2177.7-67.3174.3000112.1K124 E125 M126 F131 I132 A140 A143 L144 F148 L159K124-L128 WeakPolarHBondContact O-CG 3.4Å; E125-L128 PolarHBondContact O-N 3.29Å; M126-L128 VanDerWaalsContact C-N 3.28Å; M126-L128 PolarHBondContact O-N 2.96Å; L128-F131 PolarHBondContact O-N 3.23Å; L128-I132 WeakPolarHBondContact O-CB 3.2Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 2.89Å; L128-A140 WeakPolarHBondContact CD2-O 3.35Å; L128-A143 HydrophobicContact CD2-CB 3.62Å; L128-L144 HydrophobicContact CD1-CD1 3.62Å; L128-L144 HydrophobicContact CD2-CB 3.84Å; L128-L144 HydrophobicContact CD2-CD1 4.27Å; L128-L144 VanDerWaalsContact CD2-N 3.35Å; L128-F148 HydrophobicContact CD1-CD2 3.87Å; L128-F148 HydrophobicContact CD1-CE2 3.42Å; L128-F148 VanDerWaalsContact CD1-CE2 3.42Å; L128-F148 HydrophobicContact CD1-CZ 4.38Å; L128-F148 HydrophobicContact CG-CE2 4.4Å; L128-L159 HydrophobicContact CD1-CD1 4.21Å
129V91.1Very high93.5Very high4 Ų434.2 Ų34.22%0.02418%0.181CC..Hα-helixtrans-69.7-38.9-174.7173.60000111E125 M126 I127 I132 K133 I173 I176E125-V129 VanDerWaalsContact O-CG2 3.25Å; E125-V129 WeakPolarHBondContact O-CG2 3.43Å; E125-V129 PolarHBondContact O-N 2.93Å; M126-V129 PolarHBondContact O-N 3.43Å; M126-V129 VanDerWaalsContact O-N 3.11Å; I127-V129 PolarHBondContact O-N 3.48Å; V129-I132 PolarHBondContact O-N 2.98Å; V129-K133 HydrophobicContact CG1-CD 3.92Å; V129-K133 HydrophobicContact CG1-CG 4.36Å; V129-K133 WeakPolarHBondContact O-CB 3.47Å; V129-K133 VanDerWaalsContact O-CG 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.18Å; V129-K133 PolarHBondContact O-N 3.39Å; V129-I173 HydrophobicContact CG1-CG2 4.47Å; V129-I176 HydrophobicContact CB-CD1 4.46Å; V129-I176 HydrophobicContact CG1-CB 4.18Å; V129-I176 HydrophobicContact CG1-CD1 4.26Å; V129-I176 HydrophobicContact CG1-CG2 3.99Å; V129-I176 HydrophobicContact CG2-CD1 3.49Å; V129-I176 VanDerWaalsContact CG2-CD1 3.49Å
130I92.8Very high93.3Very high5 Ų534.2 Ų34.23%0.02618%0.181CC..Hα-helixtrans-65.9-41.2173.4-63.7-58.6000111.1E80 L82 L95 M126 N134 F178E80-I130 HydrophobicContact CG-CD1 4.17Å; L82-I130 HydrophobicContact CD1-CG2 4.43Å; L82-I130 HydrophobicContact CD2-CG2 3.81Å; L82-I130 HydrophobicContact CG-CG2 4.06Å; L95-I130 HydrophobicContact CD1-CG1 4.01Å; M126-I130 HydrophobicContact CG-CG1 4.11Å; M126-I130 WeakPolarHBondContact O-CG1 3.25Å; M126-I130 PolarHBondContact O-N 2.68Å; M126-I130 HydrophobicContact SD-CD1 4.3Å; M126-I130 HydrophobicContact SD-CG1 4.15Å; I130-N134 WeakPolarHBondContact O-CB 3.5Å; I130-N134 PolarHBondContact O-N 3.31Å; I130-N134 VanDerWaalsContact O-N 3.13Å; I130-N134 PolarHBondContact O-ND2 2.86Å; I130-F178 HydrophobicContact CD1-CD2 3.98Å; I130-F178 HydrophobicContact CD1-CE2 4.2Å; I130-F178 HydrophobicContact CG1-CE2 4.32Å
131F93.8Very high93.1Very high2 Ų238.9 Ų38.91%0.00920%0.201CC..Hα-helixtrans-62.8-42.8173.2-71.7-40.7000112.7L82 T93 I127 L128 G135 V136 K139 A140 A143L82-F131 HydrophobicContact CD1-CD1 4.22Å; L82-F131 HydrophobicContact CD2-CD1 4.04Å; L82-F131 HydrophobicContact CD2-CE1 3.9Å; T93-F131 HydrophobicContact CG2-CE1 3.67Å; T93-F131 HydrophobicContact CG2-CZ 3.9Å; I127-F131 HydrophobicContact CG2-CD2 3.73Å; I127-F131 HydrophobicContact CG2-CE2 3.34Å; I127-F131 HydrophobicContact CG2-CZ 4.13Å; I127-F131 VanDerWaalsContact O-CD2 3.32Å; I127-F131 WeakPolarHBondContact O-CD2 3.28Å; I127-F131 WeakPolarHBondContact O-CG 3.44Å; I127-F131 PolarHBondContact O-N 2.81Å; L128-F131 PolarHBondContact O-N 3.23Å; F131-G135 PolarHBondContact O-N 3.49Å; F131-G135 VanDerWaalsContact O-N 3.16Å; F131-V136 HydrophobicContact CB-CB 4.46Å; F131-V136 HydrophobicContact CD1-CB 4.2Å; F131-V136 PolarHBondContact O-N 3.39Å; F131-K139 HydrophobicContact CD1-CB 3.92Å; F131-K139 HydrophobicContact CD1-CD 4.21Å; F131-K139 HydrophobicContact CD2-CB 3.92Å; F131-K139 HydrophobicContact CE1-CB 3.86Å; F131-K139 HydrophobicContact CE1-CD 3.5Å; F131-K139 VanDerWaalsContact CE1-CD 3.5Å; F131-K139 HydrophobicContact CE1-CG 4.33Å; F131-K139 HydrophobicContact CE2-CB 3.84Å; F131-K139 HydrophobicContact CG-CB 3.98Å; F131-K139 HydrophobicContact CZ-CB 3.83Å; F131-K139 HydrophobicContact CZ-CD 3.71Å; F131-K139 HydrophobicContact CZ-CG 4.39Å; F131-A140 HydrophobicContact CB-CB 3.78Å; F131-A143 HydrophobicContact CD2-CB 4.36Å; F131-A143 HydrophobicContact CE2-CB 4.26Å
132I92.1Very high93Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-67.1-44.9179-68.3165.3000111.3L128 V129 N134 G135 F137 A140 L159 I163 N168 I173L128-I132 WeakPolarHBondContact O-CB 3.2Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 2.89Å; V129-I132 PolarHBondContact O-N 2.98Å; I132-N134 VanDerWaalsContact C-N 3.3Å; I132-N134 PolarHBondContact O-N 3.14Å; I132-G135 PolarHBondContact O-N 2.79Å; I132-F137 HydrophobicContact CG2-CE1 4.25Å; I132-A140 HydrophobicContact CG1-CB 3.85Å; I132-L159 HydrophobicContact CD1-CD2 3.76Å; I132-I163 HydrophobicContact CD1-CD1 4.13Å; I132-I163 HydrophobicContact CD1-CG1 3.93Å; I132-I163 HydrophobicContact CG1-CD1 4.4Å; I132-I163 HydrophobicContact CG1-CG1 3.91Å; I132-N168 WeakPolarHBondContact O-CB 3.48Å; I132-I173 HydrophobicContact CG2-CD1 3.49Å; I132-I173 VanDerWaalsContact CG2-CD1 3.49Å; I132-I173 HydrophobicContact CG2-CG1 4.15Å
133K90.1Very high92.9Very high86 Ų8637.6 Ų37.637%0.37420%0.201SC..Hα-helixtrans-57.5-43.1177.1-77.617366.7-178.20111.7V129 G135 I173V129-K133 HydrophobicContact CG1-CD 3.92Å; V129-K133 HydrophobicContact CG1-CG 4.36Å; V129-K133 WeakPolarHBondContact O-CB 3.47Å; V129-K133 VanDerWaalsContact O-CG 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.18Å; V129-K133 PolarHBondContact O-N 3.39Å; K133-G135 VanDerWaalsContact C-N 3.28Å; K133-G135 PolarHBondContact O-N 3.18Å; K133-I173 HydrophobicContact CD-CG2 4.11Å; K133-I173 HydrophobicContact CG-CG2 3.49Å; K133-I173 VanDerWaalsContact CG-CG2 3.49Å
134N90.4Very high92.7Very high89 Ų8937.7 Ų37.748%0.47620%0.201SC..THydrogen-bonded Turntrans-83.35.9178.3-70.1-73.3000114.2L82 I130 I132 V136L82-N134 HydrophobicContact CD1-CB 3.49Å; L82-N134 VanDerWaalsContact CD1-CB 3.49Å; I130-N134 WeakPolarHBondContact O-CB 3.5Å; I130-N134 PolarHBondContact O-N 3.31Å; I130-N134 VanDerWaalsContact O-N 3.13Å; I130-N134 PolarHBondContact O-ND2 2.86Å; I132-N134 VanDerWaalsContact C-N 3.3Å; I132-N134 PolarHBondContact O-N 3.14Å; N134-V136 VanDerWaalsContact C-N 3.26Å; N134-V136 HydrophobicContact CB-CG2 4.06Å; N134-V136 PolarHBondContact O-N 3.45Å
135G90.8Very high92.5Very high32 Ų3239.7 Ų39.733%0.3322%0.217SC..THydrogen-bonded Turntrans70.413.5177.100000115.6F131 I132 K133 F137F131-G135 PolarHBondContact O-N 3.49Å; F131-G135 VanDerWaalsContact O-N 3.16Å; I132-G135 PolarHBondContact O-N 2.79Å; K133-G135 VanDerWaalsContact C-N 3.28Å; K133-G135 PolarHBondContact O-N 3.18Å; G135-F137 WeakPolarHBondContact O-CD2 3.3Å; G135-F137 WeakPolarHBondContact O-CE2 3.38Å; G135-F137 PolarHBondContact O-N 3.36Å
136V92.7Very high92.5Very high50 Ų5043.2 Ų43.230%0.30324%0.237SC..  trans-85.157.4-178-161.40000110.3L82 F131 N134 D138 K139 A140L82-V136 HydrophobicContact CD1-CG2 3.81Å; F131-V136 HydrophobicContact CB-CB 4.46Å; F131-V136 HydrophobicContact CD1-CB 4.2Å; F131-V136 PolarHBondContact O-N 3.39Å; N134-V136 VanDerWaalsContact C-N 3.26Å; N134-V136 HydrophobicContact CB-CG2 4.06Å; N134-V136 PolarHBondContact O-N 3.45Å; V136-D138 VanDerWaalsContact C-N 3.28Å; V136-D138 PolarHBondContact O-N 2.65Å; V136-K139 HydrophobicContact CG1-CB 3.88Å; V136-K139 HydrophobicContact CG1-CD 3.98Å; V136-K139 HydrophobicContact CG1-CG 3.81Å; V136-K139 PolarHBondContact O-N 2.79Å; V136-K139 VanDerWaalsContact O-N 3.16Å; V136-A140 PolarHBondContact O-N 3.24Å
137F93.1Very high92.3Very high23 Ų2344.7 Ų44.710%0.10124%0.242CC..Hα-helixtrans-60.1-30.6-167.5-63.6-69.4000114.3I132 G135 A140 K141 I163 K166I132-F137 HydrophobicContact CG2-CE1 4.25Å; G135-F137 WeakPolarHBondContact O-CD2 3.3Å; G135-F137 WeakPolarHBondContact O-CE2 3.38Å; G135-F137 PolarHBondContact O-N 3.36Å; F137-A140 WeakPolarHBondContact O-CB 3.42Å; F137-A140 PolarHBondContact O-N 3.33Å; F137-K141 WeakPolarHBondContact O-CB 3.24Å; F137-K141 PolarHBondContact O-N 3.46Å; F137-I163 HydrophobicContact CB-CG2 4.38Å; F137-I163 HydrophobicContact CD1-CG1 4.49Å; F137-K166 HydrophobicContact CD2-CB 3.82Å; F137-K166 HydrophobicContact CD2-CD 4.21Å; F137-K166 HydrophobicContact CD2-CG 3.81Å; F137-K166 HydrophobicContact CE2-CB 3.63Å; F137-K166 HydrophobicContact CE2-CG 4.17Å; F137-K166 WeakPolarHBondContact CE2-O 3.41Å; F137-K166 HydrophobicContact CG-CB 4.37Å; F137-K166 HydrophobicContact CG-CG 4.16Å; F137-K166 HydrophobicContact CZ-CB 4.04Å; F137-K166 WeakPolarHBondContact CZ-O 3.4Å
138D92.7Very high92Very high125 Ų12546.4 Ų46.467%0.66825%0.25SC*.Hα-helixtrans-70.9-40.2178.5-58.8-64.8000112.1V136 K141 A142V136-D138 VanDerWaalsContact C-N 3.28Å; V136-D138 PolarHBondContact O-N 2.65Å; D138-K141 PolarHBondContact O-N 2.99Å; D138-A142 PolarHBondContact O-N 3.2Å
139K92.7Very high91.5Very high99 Ų9950.5 Ų50.543%0.4328%0.276SS..Hα-helixtrans-65.7-40.8169.7-70.6-164.3178.7-169.60111F131 V136 K141 A142 A143F131-K139 HydrophobicContact CD1-CB 3.92Å; F131-K139 HydrophobicContact CD1-CD 4.21Å; F131-K139 HydrophobicContact CD2-CB 3.92Å; F131-K139 HydrophobicContact CE1-CB 3.86Å; F131-K139 HydrophobicContact CE1-CD 3.5Å; F131-K139 VanDerWaalsContact CE1-CD 3.5Å; F131-K139 HydrophobicContact CE1-CG 4.33Å; F131-K139 HydrophobicContact CE2-CB 3.84Å; F131-K139 HydrophobicContact CG-CB 3.98Å; F131-K139 HydrophobicContact CZ-CB 3.83Å; F131-K139 HydrophobicContact CZ-CD 3.71Å; F131-K139 HydrophobicContact CZ-CG 4.39Å; V136-K139 HydrophobicContact CG1-CB 3.88Å; V136-K139 HydrophobicContact CG1-CD 3.98Å; V136-K139 HydrophobicContact CG1-CG 3.81Å; V136-K139 PolarHBondContact O-N 2.79Å; V136-K139 VanDerWaalsContact O-N 3.16Å; K139-K141 VanDerWaalsContact C-N 3.33Å; K139-K141 PolarHBondContact O-N 2.99Å; K139-A142 PolarHBondContact O-N 2.89Å; K139-A143 WeakPolarHBondContact O-CB 3.31Å; K139-A143 PolarHBondContact O-N 3.11Å
140A93.6Very high91Very high0 Ų054.5 Ų54.50%030%0.304CS..Hα-helixtrans-58.9-42.8174.500000112.2L128 F131 I132 V136 F137 A143 L144 I163L128-A140 WeakPolarHBondContact CD2-O 3.35Å; F131-A140 HydrophobicContact CB-CB 3.78Å; I132-A140 HydrophobicContact CG1-CB 3.85Å; V136-A140 PolarHBondContact O-N 3.24Å; F137-A140 WeakPolarHBondContact O-CB 3.42Å; F137-A140 PolarHBondContact O-N 3.33Å; A140-A143 PolarHBondContact O-N 3.25Å; A140-L144 VanDerWaalsContact O-CB 3.26Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.31Å; A140-I163 HydrophobicContact CB-CD1 3.71Å; A140-I163 HydrophobicContact CB-CG1 3.91Å
141K92.8Very high89.5Confident104 Ų10459.6 Ų59.645%0.45234%0.338SS..Hα-helixtrans-65-42177.7-169.3176.5176.9-179.20112.3F137 D138 K139 T145 I163F137-K141 WeakPolarHBondContact O-CB 3.24Å; F137-K141 PolarHBondContact O-N 3.46Å; D138-K141 PolarHBondContact O-N 2.99Å; K139-K141 VanDerWaalsContact C-N 3.33Å; K139-K141 PolarHBondContact O-N 2.99Å; K141-T145 PolarHBondContact O-N 3.34Å; K141-T145 PolarHBondContact O-OG1 2.92Å; K141-I163 HydrophobicContact CB-CG2 3.9Å; K141-I163 HydrophobicContact CG-CG2 4.41Å
142A93Very high88.1Confident62 Ų6263.5 Ų63.551%0.51238%0.378SS..Hα-helixtrans-63-51.717500000111D138 K139 L144 T145 L146D138-A142 PolarHBondContact O-N 3.2Å; K139-A142 PolarHBondContact O-N 2.89Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.85Å; A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.02Å; A142-T145 VanDerWaalsContact O-N 3.08Å; A142-L146 WeakPolarHBondContact O-CB 3.14Å; A142-L146 PolarHBondContact O-N 3.06Å
143A92.8Very high87.2Confident5 Ų566.7 Ų66.74%0.04140%0.395CS..Hα-helixtrans-60.7-37.7177.700000112.8I127 L128 F131 K139 A140 T145 L146 Y147I127-A143 HydrophobicContact CG2-CB 4.39Å; L128-A143 HydrophobicContact CD2-CB 3.62Å; F131-A143 HydrophobicContact CD2-CB 4.36Å; F131-A143 HydrophobicContact CE2-CB 4.26Å; K139-A143 WeakPolarHBondContact O-CB 3.31Å; K139-A143 PolarHBondContact O-N 3.11Å; A140-A143 PolarHBondContact O-N 3.25Å; A143-T145 PolarHBondContact O-N 3.03Å; A143-L146 PolarHBondContact O-N 3.19Å; A143-Y147 HydrophobicContact CB-CD2 4.02Å; A143-Y147 HydrophobicContact CB-CE2 3.93Å; A143-Y147 WeakPolarHBondContact O-CB 3.27Å; A143-Y147 WeakPolarHBondContact O-CD2 3.5Å; A143-Y147 PolarHBondContact O-N 2.99Å
144L92.3Very high86.6Confident1 Ų170.7 Ų70.71%0.00542%0.415CS..Hα-helixtrans-69.1-25.3177.9-169.767.5000112L128 A140 A142 F148 R156 L159 M160 I163L128-L144 HydrophobicContact CD1-CD1 3.62Å; L128-L144 HydrophobicContact CD2-CB 3.84Å; L128-L144 HydrophobicContact CD2-CD1 4.27Å; L128-L144 VanDerWaalsContact CD2-N 3.35Å; A140-L144 VanDerWaalsContact O-CB 3.26Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.31Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.85Å; L144-F148 CarbonylContact O-C 3.55Å; L144-F148 VanDerWaalsContact O-CA 3.24Å; L144-F148 WeakPolarHBondContact O-CA 3.43Å; L144-F148 PolarHBondContact O-N 2.93Å; L144-R156 HydrophobicContact CD1-CG 3.8Å; L144-R156 HydrophobicContact CD2-CG 4.21Å; L144-R156 HydrophobicContact CG-CG 4.02Å; L144-L159 HydrophobicContact CD1-CB 4.17Å; L144-L159 HydrophobicContact CD1-CD1 4.34Å; L144-L159 HydrophobicContact CD2-CB 4.22Å; L144-M160 HydrophobicContact CD2-CB 3.8Å; L144-M160 HydrophobicContact CD2-CG 4.47Å; L144-M160 HydrophobicContact CD2-SD 3.94Å; L144-I163 HydrophobicContact CB-CD1 4.32Å; L144-I163 HydrophobicContact CD2-CD1 3.84Å
145T91.6Very high86.1Confident82 Ų8271.3 Ų71.350%0.50341%0.414SS..Hα-helixtrans-82.8-38.5175.4-530000111.2K141 A142 A143K141-T145 PolarHBondContact O-N 3.34Å; K141-T145 PolarHBondContact O-OG1 2.92Å; A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.02Å; A142-T145 VanDerWaalsContact O-N 3.08Å; A143-T145 PolarHBondContact O-N 3.03Å
146L92.1Very high85.8Confident123 Ų12371.8 Ų71.864%0.64441%0.406SS*.Hα-helixtrans-73.3-51-179.2-179.862.5000113.3A142 A143A142-L146 WeakPolarHBondContact O-CB 3.14Å; A142-L146 PolarHBondContact O-N 3.06Å; A143-L146 PolarHBondContact O-N 3.19Å
147Y90.1Very high85.5Confident44 Ų4472.4 Ų72.417%0.17342%0.416CS..THydrogen-bonded Turntrans-89.9-32.4-175.1-55.4-38.7000113L99 K124 I127 A143 P149L99-Y147 HydrophobicContact CD2-CE1 3.72Å; K124-Y147 HydrophobicContact CB-CD2 4.1Å; K124-Y147 HydrophobicContact CB-CG 4.12Å; K124-Y147 HydrophobicContact CD-CD1 4Å; K124-Y147 HydrophobicContact CD-CG 4.02Å; K124-Y147 HydrophobicContact CG-CD1 3.94Å; K124-Y147 HydrophobicContact CG-CD2 3.89Å; K124-Y147 HydrophobicContact CG-CE1 4.4Å; K124-Y147 HydrophobicContact CG-CE2 4.34Å; K124-Y147 HydrophobicContact CG-CG 3.67Å; I127-Y147 HydrophobicContact CB-CE2 4.49Å; I127-Y147 HydrophobicContact CD1-CE2 3.94Å; I127-Y147 HydrophobicContact CG2-CE2 4.14Å; A143-Y147 HydrophobicContact CB-CD2 4.02Å; A143-Y147 HydrophobicContact CB-CE2 3.93Å; A143-Y147 WeakPolarHBondContact O-CB 3.27Å; A143-Y147 WeakPolarHBondContact O-CD2 3.5Å; A143-Y147 PolarHBondContact O-N 2.99Å; Y147-P149 WeakPolarHBondContact O-CD 3.32Å
148F88.1Confident85.2Confident39 Ų3973.6 Ų73.617%0.17143%0.425CS..  trans-94.327-176.940.8-161000117.6T121 K124 E125 L128 L144 S150 R156T121-F148 HydrophobicContact CG2-CE1 4.26Å; K124-F148 HydrophobicContact CB-CE2 3.97Å; K124-F148 HydrophobicContact CB-CZ 3.77Å; E125-F148 HydrophobicContact CB-CZ 4.46Å; E125-F148 HydrophobicContact CG-CE1 4.03Å; E125-F148 HydrophobicContact CG-CZ 3.61Å; L128-F148 HydrophobicContact CD1-CD2 3.87Å; L128-F148 HydrophobicContact CD1-CE2 3.42Å; L128-F148 VanDerWaalsContact CD1-CE2 3.42Å; L128-F148 HydrophobicContact CD1-CZ 4.38Å; L128-F148 HydrophobicContact CG-CE2 4.4Å; L144-F148 CarbonylContact O-C 3.55Å; L144-F148 VanDerWaalsContact O-CA 3.24Å; L144-F148 WeakPolarHBondContact O-CA 3.43Å; L144-F148 PolarHBondContact O-N 2.93Å; F148-S150 VanDerWaalsContact C-N 3.31Å; F148-S150 PolarHBondContact O-N 2.84Å; F148-S150 VanDerWaalsContact O-N 3.07Å; F148-R156 WeakPolarHBondContact O-CD 3.45Å; F148-R156 PolarHBondContact O-NE 2.91Å; F148-R156 PolarHBondContact O-NH1 3.17Å
149P83.4Confident84.9Confident85 Ų8568.4 Ų68.455%0.55240%0.398SS*.  trans-62.1-28.7-156.625.8-35.9000115.5Y147 R156Y147-P149 WeakPolarHBondContact O-CD 3.32Å; P149-R156 PolarHBondContact O-NH1 3.22Å
150S79.4Confident84.7Confident88 Ų8866.8 Ų66.862%0.61539%0.392SS*.  trans-67.5128.3177-56.90000112.2F148 R156F148-S150 VanDerWaalsContact C-N 3.31Å; F148-S150 PolarHBondContact O-N 2.84Å; F148-S150 VanDerWaalsContact O-N 3.07Å; S150-R156 VanDerWaalsContact O-CD 3.28Å; S150-R156 WeakPolarHBondContact O-CD 3.46Å; S150-R156 PolarHBondContact O-NH1 2.91Å
151P63.1Low84.4Confident113 Ų11371 Ų7173%0.73442%0.415SS*.SBendtrans-79.8-22.3-175.929.5-34.5000114.5N153P151-N153 VanDerWaalsContact C-N 3.26Å; P151-N153 PolarHBondContact O-N 3.24Å
152G63.2Low84.1Confident83 Ų8366.4 Ų66.486%0.85640%0.395SS*.  trans-80.434.2-171.400000116.7
153N74.3Confident84Confident67 Ų6763.9 Ų63.936%0.35837%0.373SS..  trans-118.5121.3178.3-178.6-15.9000110.3P151 K155 R156 A157P151-N153 VanDerWaalsContact C-N 3.26Å; P151-N153 PolarHBondContact O-N 3.24Å; N153-K155 VanDerWaalsContact C-N 3.31Å; N153-K155 PolarHBondContact O-N 2.99Å; N153-K155 WeakPolarHBondContact OD1-CB 3.45Å; N153-K155 PolarHBondContact OD1-N 2.96Å; N153-R156 HydrophobicContact CB-CB 4.06Å; N153-R156 WeakPolarHBondContact O-CA 3.26Å; N153-R156 VanDerWaalsContact O-CB 3.31Å; N153-R156 WeakPolarHBondContact O-CB 3.37Å; N153-R156 PolarHBondContact O-N 2.68Å; N153-A157 PolarHBondContact O-N 3.44Å
154E77.1Confident83.8Confident170 Ų17067.6 Ų67.679%0.79440%0.398SS*.Hα-helixtrans-56-41.9178.8-62.6-179.4171.700112.5R156 A157 T158E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 2.98Å; E154-A157 PolarHBondContact O-N 2.79Å; E154-T158 PolarHBondContact O-N 3.3Å; E154-T158 PolarHBondContact O-OG1 3.24Å; E154-T158 VanDerWaalsContact O-OG1 3.06Å
155K79.6Confident83.6Confident102 Ų10273.3 Ų73.344%0.44342%0.424SS..Hα-helixtrans-56.1-42.8173.1-66.8-168.4-178-174.80110.9E125 N153 T158 L159E125-K155 IonicContact OE1-NZ 2.65Å; E125-K155 PolarHBondContact OE1-NZ 3.37Å; E125-K155 IonicContact OE2-NZ 2.75Å; E125-K155 PolarHBondContact OE2-NZ 3.42Å; N153-K155 VanDerWaalsContact C-N 3.31Å; N153-K155 PolarHBondContact O-N 2.99Å; N153-K155 WeakPolarHBondContact OD1-CB 3.45Å; N153-K155 PolarHBondContact OD1-N 2.96Å; K155-T158 PolarHBondContact O-N 3.38Å; K155-L159 WeakPolarHBondContact O-CB 3.47Å; K155-L159 VanDerWaalsContact O-CG 3.24Å; K155-L159 WeakPolarHBondContact O-CG 3.43Å; K155-L159 PolarHBondContact O-N 2.81Å
156R84.6Confident83.4Confident42 Ų4276.1 Ų76.116%0.15843%0.429CS..Hα-helixtrans-66.7-43.6179.6-167.4-160.9178.1178.92.3110.9L144 F148 P149 S150 N153 E154 T158 L159 M160L144-R156 HydrophobicContact CD1-CG 3.8Å; L144-R156 HydrophobicContact CD2-CG 4.21Å; L144-R156 HydrophobicContact CG-CG 4.02Å; F148-R156 WeakPolarHBondContact O-CD 3.45Å; F148-R156 PolarHBondContact O-NE 2.91Å; F148-R156 PolarHBondContact O-NH1 3.17Å; P149-R156 PolarHBondContact O-NH1 3.22Å; S150-R156 VanDerWaalsContact O-CD 3.28Å; S150-R156 WeakPolarHBondContact O-CD 3.46Å; S150-R156 PolarHBondContact O-NH1 2.91Å; N153-R156 HydrophobicContact CB-CB 4.06Å; N153-R156 WeakPolarHBondContact O-CA 3.26Å; N153-R156 VanDerWaalsContact O-CB 3.31Å; N153-R156 WeakPolarHBondContact O-CB 3.37Å; N153-R156 PolarHBondContact O-N 2.68Å; E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 2.98Å; R156-T158 VanDerWaalsContact C-N 3.33Å; R156-T158 PolarHBondContact O-N 2.89Å; R156-L159 PolarHBondContact O-N 3.32Å; R156-M160 VanDerWaalsContact O-CB 3.25Å; R156-M160 WeakPolarHBondContact O-CB 3.44Å; R156-M160 PolarHBondContact O-N 3.29Å
157A86.2Confident83.2Confident63 Ų6371.7 Ų71.752%0.52141%0.409SS..Hα-helixtrans-59.9-43.8175.900000111.3N153 E154 N161N153-A157 PolarHBondContact O-N 3.44Å; E154-A157 PolarHBondContact O-N 2.79Å; A157-N161 WeakPolarHBondContact O-CB 3.47Å; A157-N161 PolarHBondContact O-N 3.45Å
158T86.6Confident82.8Confident49 Ų4973.1 Ų73.130%0.30142%0.419SS..Hα-helixtrans-60.6-51.4173.5-54.60000112.1E154 K155 R156 M160 N161 L162 H170 V172E154-T158 PolarHBondContact O-N 3.3Å; E154-T158 PolarHBondContact O-OG1 3.24Å; E154-T158 VanDerWaalsContact O-OG1 3.06Å; K155-T158 PolarHBondContact O-N 3.38Å; R156-T158 VanDerWaalsContact C-N 3.33Å; R156-T158 PolarHBondContact O-N 2.89Å; T158-M160 PolarHBondContact O-N 2.92Å; T158-N161 PolarHBondContact O-N 3.4Å; T158-L162 HydrophobicContact CG2-CD1 4.15Å; T158-L162 WeakPolarHBondContact O-CG 3.47Å; T158-L162 PolarHBondContact O-N 3.02Å; T158-H170 VanDerWaalsContact CG2-CE1 3.49Å; T158-H170 WeakPolarHBondContact CG2-CE1 3.41Å; T158-V172 HydrophobicContact CG2-CG2 4.27Å
159L86.2Confident82.2Confident16 Ų1679.2 Ų79.28%0.08445%0.446CS..Hα-helixtrans-62.4-40.2180-71.2165.5000112.2L128 I132 L144 K155 R156 L162 I163L128-L159 HydrophobicContact CD1-CD1 4.21Å; I132-L159 HydrophobicContact CD1-CD2 3.76Å; L144-L159 HydrophobicContact CD1-CB 4.17Å; L144-L159 HydrophobicContact CD1-CD1 4.34Å; L144-L159 HydrophobicContact CD2-CB 4.22Å; K155-L159 WeakPolarHBondContact O-CB 3.47Å; K155-L159 VanDerWaalsContact O-CG 3.24Å; K155-L159 WeakPolarHBondContact O-CG 3.43Å; K155-L159 PolarHBondContact O-N 2.81Å; R156-L159 PolarHBondContact O-N 3.32Å; L159-L162 PolarHBondContact O-N 3.29Å; L159-I163 WeakPolarHBondContact O-CD1 3.09Å; L159-I163 VanDerWaalsContact O-CG1 3.28Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.25Å
160M87.9Confident82Confident64 Ų6478.4 Ų78.432%0.31544%0.435SS..Hα-helixtrans-63.1-42.7175.4-17266-178.200111.4L144 R156 T158 L162 I163 C164L144-M160 HydrophobicContact CD2-CB 3.8Å; L144-M160 HydrophobicContact CD2-CG 4.47Å; L144-M160 HydrophobicContact CD2-SD 3.94Å; R156-M160 VanDerWaalsContact O-CB 3.25Å; R156-M160 WeakPolarHBondContact O-CB 3.44Å; R156-M160 PolarHBondContact O-N 3.29Å; T158-M160 PolarHBondContact O-N 2.92Å; M160-L162 PolarHBondContact O-N 2.96Å; M160-I163 PolarHBondContact O-N 3.3Å; M160-C164 WeakPolarHBondContact O-CB 3.47Å; M160-C164 PolarHBondContact O-N 3.28Å; M160-C164 PolarHBondContact O-SG 2.93Å; M160-C164 VanDerWaalsContact O-SG 3.34Å
161N87.7Confident82.1Confident89 Ų8981.5 Ų81.548%0.47644%0.437SS..Hα-helixtrans-62.1-43.7177.1-163.47.8000111.1A157 T158 I163 C164 Q165A157-N161 WeakPolarHBondContact O-CB 3.47Å; A157-N161 PolarHBondContact O-N 3.45Å; T158-N161 PolarHBondContact O-N 3.4Å; N161-I163 PolarHBondContact O-N 3.16Å; N161-C164 PolarHBondContact O-N 2.81Å; N161-Q165 PolarHBondContact ND2-NE2 2.88Å; N161-Q165 WeakPolarHBondContact O-CB 3.37Å; N161-Q165 VanDerWaalsContact O-CG 3.28Å; N161-Q165 WeakPolarHBondContact O-CG 3.27Å; N161-Q165 PolarHBondContact O-N 3.4Å; N161-Q165 PolarHBondContact OD1-NE2 3.33Å
162L87.5Confident82.8Confident7 Ų778.2 Ų78.24%0.03742%0.415CS..Hα-helixtrans-62.5-40.3176.7-65.9168000112.9T158 L159 M160 Q165 K166 S167 H170 I173T158-L162 HydrophobicContact CG2-CD1 4.15Å; T158-L162 WeakPolarHBondContact O-CG 3.47Å; T158-L162 PolarHBondContact O-N 3.02Å; L159-L162 PolarHBondContact O-N 3.29Å; M160-L162 PolarHBondContact O-N 2.96Å; L162-Q165 PolarHBondContact O-N 3.37Å; L162-K166 PolarHBondContact O-N 2.98Å; L162-S167 PolarHBondContact O-N 2.95Å; L162-H170 HydrophobicContact CD1-CB 3.73Å; L162-H170 HydrophobicContact CD2-CB 3.54Å; L162-H170 HydrophobicContact CG-CB 4.29Å; L162-I173 HydrophobicContact CD1-CD1 4.09Å; L162-I173 HydrophobicContact CD1-CG1 4.24Å
163I90.1Very high83.6Confident9 Ų974.5 Ų74.55%0.04638%0.375CS..Hα-helixtrans-64.8-44.8174.5-69.7164.8000110.9I132 F137 A140 K141 L144 L159 M160 N161 K166I132-I163 HydrophobicContact CD1-CD1 4.13Å; I132-I163 HydrophobicContact CD1-CG1 3.93Å; I132-I163 HydrophobicContact CG1-CD1 4.4Å; I132-I163 HydrophobicContact CG1-CG1 3.91Å; F137-I163 HydrophobicContact CB-CG2 4.38Å; F137-I163 HydrophobicContact CD1-CG1 4.49Å; A140-I163 HydrophobicContact CB-CD1 3.71Å; A140-I163 HydrophobicContact CB-CG1 3.91Å; K141-I163 HydrophobicContact CB-CG2 3.9Å; K141-I163 HydrophobicContact CG-CG2 4.41Å; L144-I163 HydrophobicContact CB-CD1 4.32Å; L144-I163 HydrophobicContact CD2-CD1 3.84Å; L159-I163 WeakPolarHBondContact O-CD1 3.09Å; L159-I163 VanDerWaalsContact O-CG1 3.28Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.25Å; M160-I163 PolarHBondContact O-N 3.3Å; N161-I163 PolarHBondContact O-N 3.16Å; I163-K166 PolarHBondContact O-N 2.79Å; I163-K166 VanDerWaalsContact O-N 3.16Å
164C88.3Confident83.8Confident84 Ų8477.2 Ų77.257%0.56839%0.39SS*.Hα-helixtrans-64.6-39.1177-72.70000112.8M160 N161 K166M160-C164 WeakPolarHBondContact O-CB 3.47Å; M160-C164 PolarHBondContact O-N 3.28Å; M160-C164 PolarHBondContact O-SG 2.93Å; M160-C164 VanDerWaalsContact O-SG 3.34Å; N161-C164 PolarHBondContact O-N 2.81Å; C164-K166 PolarHBondContact O-N 3.25Å
165Q88.9Confident83.9Confident120 Ų12075.2 Ų75.256%0.56138%0.38SS*.THydrogen-bonded Turntrans-75.4-7.6175.1-68.9178.614.600113.4N161 L162 S167N161-Q165 PolarHBondContact ND2-NE2 2.88Å; N161-Q165 WeakPolarHBondContact O-CB 3.37Å; N161-Q165 VanDerWaalsContact O-CG 3.28Å; N161-Q165 WeakPolarHBondContact O-CG 3.27Å; N161-Q165 PolarHBondContact O-N 3.4Å; N161-Q165 PolarHBondContact OD1-NE2 3.33Å; L162-Q165 PolarHBondContact O-N 3.37Å; Q165-S167 PolarHBondContact O-N 2.97Å
166K88.1Confident83.8Confident141 Ų14172.8 Ų72.861%0.61337%0.372SS*.THydrogen-bonded Turntrans5035.8-168.7-62-170176.5-171.90113.1F137 L162 I163 C164F137-K166 HydrophobicContact CD2-CB 3.82Å; F137-K166 HydrophobicContact CD2-CD 4.21Å; F137-K166 HydrophobicContact CD2-CG 3.81Å; F137-K166 HydrophobicContact CE2-CB 3.63Å; F137-K166 HydrophobicContact CE2-CG 4.17Å; F137-K166 WeakPolarHBondContact CE2-O 3.41Å; F137-K166 HydrophobicContact CG-CB 4.37Å; F137-K166 HydrophobicContact CG-CG 4.16Å; F137-K166 HydrophobicContact CZ-CB 4.04Å; F137-K166 WeakPolarHBondContact CZ-O 3.4Å; L162-K166 PolarHBondContact O-N 2.98Å; I163-K166 PolarHBondContact O-N 2.79Å; I163-K166 VanDerWaalsContact O-N 3.16Å; C164-K166 PolarHBondContact O-N 3.25Å
167S86.4Confident84Confident30 Ų3075.2 Ų75.221%0.2139%0.388CS..  trans-92122.4178.8-177.60000111.4L162 Q165 K169L162-S167 PolarHBondContact O-N 2.95Å; Q165-S167 PolarHBondContact O-N 2.97Å; S167-K169 PolarHBondContact OG-N 3.34Å; S167-K169 PolarHBondContact OG-O 3.22Å; S167-K169 VanDerWaalsContact OG-O 3.1Å
168N81.3Confident84.3Confident74 Ų7472.4 Ų72.440%0.39636%0.364SS..  trans-93.83.9168.463.9-4.8000113.2I132I132-N168 WeakPolarHBondContact O-CB 3.48Å
169K76.1Confident84.6Confident168 Ų16872.4 Ų72.473%0.7337%0.365SS*.  trans-118.2105.5-178-69.2175.3-175.2177.70110.5S167S167-K169 PolarHBondContact OG-N 3.34Å; S167-K169 PolarHBondContact OG-O 3.22Å; S167-K169 VanDerWaalsContact OG-O 3.1Å
170H79.9Confident84.9Confident68 Ų6875.7 Ų75.732%0.31538%0.38SS..  trans-156.6153.1175.3-170.5-115.6000111.7T158 L162 V172 I173 N174T158-H170 VanDerWaalsContact CG2-CE1 3.49Å; T158-H170 WeakPolarHBondContact CG2-CE1 3.41Å; L162-H170 HydrophobicContact CD1-CB 3.73Å; L162-H170 HydrophobicContact CD2-CB 3.54Å; L162-H170 HydrophobicContact CG-CB 4.29Å; H170-V172 VanDerWaalsContact C-N 3.27Å; H170-V172 PolarHBondContact ND1-N 3.2Å; H170-V172 PolarHBondContact O-N 2.9Å; H170-I173 HydrophobicContact CB-CD1 3.84Å; H170-I173 HydrophobicContact CB-CG1 4.1Å; H170-I173 PolarHBondContact O-N 3.4Å; H170-N174 PolarHBondContact O-N 2.84Å; H170-N174 PolarHBondContact O-OD1 2.63Å
171K80.6Confident85.3Confident152 Ų15273 Ų7366%0.66137%0.367SS*.Hα-helixtrans-52.5-44.9178.9-171.5176.8179.4178.90112.2I173 N174 Q175K171-I173 VanDerWaalsContact C-N 3.34Å; K171-I173 PolarHBondContact O-N 3.04Å; K171-N174 PolarHBondContact O-N 2.97Å; K171-Q175 HydrophobicContact CG-CG 4.4Å; K171-Q175 WeakPolarHBondContact O-CB 3.48Å; K171-Q175 VanDerWaalsContact O-CG 3.23Å; K171-Q175 WeakPolarHBondContact O-CG 3.18Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 PolarHBondContact O-OE1 3.48Å
172V78.1Confident85.7Confident44 Ų4469.9 Ų69.927%0.26735%0.348SS..Hα-helixtrans-64.8-33.8178.7177.30000112.8T158 H170 I176T158-V172 HydrophobicContact CG2-CG2 4.27Å; H170-V172 VanDerWaalsContact C-N 3.27Å; H170-V172 PolarHBondContact ND1-N 3.2Å; H170-V172 PolarHBondContact O-N 2.9Å; V172-I176 VanDerWaalsContact O-CD1 3.3Å; V172-I176 WeakPolarHBondContact O-CD1 3.39Å; V172-I176 WeakPolarHBondContact O-CG1 3.39Å
173I80.3Confident86.1Confident5 Ų574.4 Ų74.43%0.02637%0.367CS..Hα-helixtrans-71.3-45.3175.8-59.4165.5000109.5V129 I132 K133 L162 H170 K171 Q175 I176V129-I173 HydrophobicContact CG1-CG2 4.47Å; I132-I173 HydrophobicContact CG2-CD1 3.49Å; I132-I173 VanDerWaalsContact CG2-CD1 3.49Å; I132-I173 HydrophobicContact CG2-CG1 4.15Å; K133-I173 HydrophobicContact CD-CG2 4.11Å; K133-I173 HydrophobicContact CG-CG2 3.49Å; K133-I173 VanDerWaalsContact CG-CG2 3.49Å; L162-I173 HydrophobicContact CD1-CD1 4.09Å; L162-I173 HydrophobicContact CD1-CG1 4.24Å; H170-I173 HydrophobicContact CB-CD1 3.84Å; H170-I173 HydrophobicContact CB-CG1 4.1Å; H170-I173 PolarHBondContact O-N 3.4Å; K171-I173 VanDerWaalsContact C-N 3.34Å; K171-I173 PolarHBondContact O-N 3.04Å; I173-Q175 VanDerWaalsContact C-N 3.31Å; I173-Q175 PolarHBondContact O-N 2.97Å; I173-I176 PolarHBondContact O-N 3.07Å
174N78.1Confident86.4Confident125 Ų12576.4 Ų76.467%0.66838%0.377SS*.Hα-helixtrans-72.4-22.5-175.5-63.65.4000113.2H170 K171 I176H170-N174 PolarHBondContact O-N 2.84Å; H170-N174 PolarHBondContact O-OD1 2.63Å; K171-N174 PolarHBondContact O-N 2.97Å; N174-I176 VanDerWaalsContact C-N 3.26Å; N174-I176 PolarHBondContact O-N 2.76Å
175Q79Confident86.8Confident127 Ų12772.4 Ų72.459%0.59335%0.35SS*.THydrogen-bonded Turntrans-73.8-13.1175-79.7173.6-53.700113.7K171 I173K171-Q175 HydrophobicContact CG-CG 4.4Å; K171-Q175 WeakPolarHBondContact O-CB 3.48Å; K171-Q175 VanDerWaalsContact O-CG 3.23Å; K171-Q175 WeakPolarHBondContact O-CG 3.18Å; K171-Q175 PolarHBondContact O-N 3.32Å; K171-Q175 PolarHBondContact O-OE1 3.48Å; I173-Q175 VanDerWaalsContact C-N 3.31Å; I173-Q175 PolarHBondContact O-N 2.97Å
176I78.9Confident87.2Confident51 Ų5167.2 Ų67.226%0.26233%0.326SS..  trans-93.8110.8-170.6-68.2172.1000110.7M126 V129 V172 I173 N174M126-I176 HydrophobicContact CE-CG2 3.59Å; M126-I176 HydrophobicContact SD-CG2 3.9Å; V129-I176 HydrophobicContact CB-CD1 4.46Å; V129-I176 HydrophobicContact CG1-CB 4.18Å; V129-I176 HydrophobicContact CG1-CD1 4.26Å; V129-I176 HydrophobicContact CG1-CG2 3.99Å; V129-I176 HydrophobicContact CG2-CD1 3.49Å; V129-I176 VanDerWaalsContact CG2-CD1 3.49Å; V172-I176 VanDerWaalsContact O-CD1 3.3Å; V172-I176 WeakPolarHBondContact O-CD1 3.39Å; V172-I176 WeakPolarHBondContact O-CG1 3.39Å; I173-I176 PolarHBondContact O-N 3.07Å; N174-I176 VanDerWaalsContact C-N 3.26Å; N174-I176 PolarHBondContact O-N 2.76Å
177N87.2Confident87.5Confident93 Ų9363.5 Ų63.550%0.49732%0.317SS..  trans-98106.5-170.6-180-27.4000110.4P179 Q180 F181N177-P179 WeakPolarHBondContact OD1-CB 3.31Å; N177-P179 WeakPolarHBondContact OD1-CD 3.27Å; N177-Q180 HydrophobicContact CB-CB 3.89Å; N177-Q180 WeakPolarHBondContact O-CB 3.35Å; N177-Q180 PolarHBondContact O-N 2.82Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; N177-F181 PolarHBondContact O-N 3.04Å
178F92.5Very high88Confident5 Ų562.4 Ų62.42%0.02231%0.308CS..Hα-helixtrans-66.8-40.2-178.7-159.5-79.1000113.7I76 E80 L95 M126 I130 Q180 F181 R182I76-F178 WeakPolarHBondContact O-CE1 3.45Å; I76-F178 WeakPolarHBondContact O-CZ 3.4Å; E80-F178 VanDerWaalsContact CD-CG 3.42Å; E80-F178 HydrophobicContact CG-CB 4.27Å; E80-F178 HydrophobicContact CG-CD1 3.62Å; E80-F178 HydrophobicContact CG-CD2 3.5Å; E80-F178 VanDerWaalsContact CG-CD2 3.5Å; E80-F178 HydrophobicContact CG-CE1 3.74Å; E80-F178 HydrophobicContact CG-CE2 3.61Å; E80-F178 HydrophobicContact CG-CG 3.5Å; E80-F178 HydrophobicContact CG-CZ 3.74Å; E80-F178 WeakPolarHBondContact OE1-CB 3.27Å; E80-F178 WeakPolarHBondContact OE2-CD1 3.44Å; L95-F178 HydrophobicContact CD1-CE2 4.28Å; L95-F178 HydrophobicContact CD2-CZ 4.39Å; M126-F178 HydrophobicContact CE-CD2 3.82Å; M126-F178 HydrophobicContact CE-CE2 4.42Å; M126-F178 HydrophobicContact CE-CG 4.47Å; M126-F178 HydrophobicContact CG-CD2 3.88Å; M126-F178 HydrophobicContact CG-CE2 3.66Å; M126-F178 HydrophobicContact SD-CD2 3.56Å; M126-F178 VanDerWaalsContact SD-CD2 3.56Å; M126-F178 HydrophobicContact SD-CE2 4Å; I130-F178 HydrophobicContact CD1-CD2 3.98Å; I130-F178 HydrophobicContact CD1-CE2 4.2Å; I130-F178 HydrophobicContact CG1-CE2 4.32Å; F178-Q180 VanDerWaalsContact C-N 3.28Å; F178-Q180 PolarHBondContact O-N 3.25Å; F178-F181 HydrophobicContact CD1-CD1 4.41Å; F178-F181 HydrophobicContact CD2-CD1 4.13Å; F178-F181 HydrophobicContact CE1-CD1 4.11Å; F178-F181 HydrophobicContact CE1-CE1 4.47Å; F178-F181 AromaticContact CE2-CD1 3.81Å; F178-F181 HydrophobicContact CE2-CD1 3.81Å; F178-F181 AromaticContact CE2-CE1 3.94Å; F178-F181 HydrophobicContact CE2-CE1 3.94Å; F178-F181 HydrophobicContact CG-CD1 4.43Å; F178-F181 AromaticContact CZ-CD1 3.79Å; F178-F181 HydrophobicContact CZ-CD1 3.79Å; F178-F181 AromaticContact CZ-CE1 3.82Å; F178-F181 HydrophobicContact CZ-CE1 3.82Å; F178-F181 WeakPolarHBondContact O-CB 3.44Å; F178-F181 PolarHBondContact O-N 3.18Å; F178-R182 HydrophobicContact CD1-CG 3.83Å; F178-R182 VanDerWaalsContact CD1-CZ 3.45Å; F178-R182 HydrophobicContact CE1-CG 3.66Å; F178-R182 VanDerWaalsContact CE1-CZ 3.46Å; F178-R182 PolarHBondContact O-N 2.96Å
179P92.9Very high88.7Confident49 Ų4958.9 Ų58.932%0.31829%0.289SS..Hα-helixtrans-53.9-38.4168-29.935000114.7N177 R182 K183N177-P179 WeakPolarHBondContact OD1-CB 3.31Å; N177-P179 WeakPolarHBondContact OD1-CD 3.27Å; P179-R182 PolarHBondContact O-N 3.11Å; P179-K183 WeakPolarHBondContact O-CG 3.45Å; P179-K183 PolarHBondContact O-N 3.32Å; P179-K183 VanDerWaalsContact O-N 3.14Å
180Q93.6Very high89.5Confident85 Ų8555 Ų5540%0.39727%0.274SS..Hα-helixtrans-67.7-43.3174.8177.156.825.800111.5N177 F178 R182 K183 E184N177-Q180 HydrophobicContact CB-CB 3.89Å; N177-Q180 WeakPolarHBondContact O-CB 3.35Å; N177-Q180 PolarHBondContact O-N 2.82Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; F178-Q180 VanDerWaalsContact C-N 3.28Å; F178-Q180 PolarHBondContact O-N 3.25Å; Q180-R182 PolarHBondContact O-N 3.14Å; Q180-K183 WeakPolarHBondContact O-CB 3.35Å; Q180-K183 PolarHBondContact O-N 3.46Å; Q180-K183 VanDerWaalsContact O-N 3.11Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.4Å; Q180-E184 PolarHBondContact NE2-OE1 2.85Å; Q180-E184 PolarHBondContact O-N 3.44Å
181F96Very high90.1Very high8 Ų857.9 Ų57.94%0.03529%0.285CS..Hα-helixtrans-58.4-44.1172167.6-104.1000112.3I76 L95 L122 I123 M126 N177 F178 K183 E184 M185I76-F181 HydrophobicContact CD1-CE1 4.04Å; I76-F181 HydrophobicContact CD1-CZ 3.81Å; I76-F181 HydrophobicContact CG2-CE1 4.06Å; L95-F181 HydrophobicContact CD2-CE1 3.93Å; L95-F181 HydrophobicContact CD2-CZ 4.15Å; L122-F181 HydrophobicContact CB-CD2 4.31Å; L122-F181 HydrophobicContact CB-CE2 4.1Å; I123-F181 HydrophobicContact CG1-CE2 4.21Å; I123-F181 HydrophobicContact CG1-CZ 4.08Å; M126-F181 HydrophobicContact CB-CD2 4.47Å; M126-F181 HydrophobicContact CB-CE1 4.39Å; M126-F181 HydrophobicContact CB-CE2 4.16Å; M126-F181 HydrophobicContact CB-CZ 4.11Å; M126-F181 HydrophobicContact CE-CB 3.46Å; M126-F181 VanDerWaalsContact CE-CB 3.46Å; M126-F181 HydrophobicContact CE-CD1 3.89Å; M126-F181 HydrophobicContact CE-CD2 4.12Å; M126-F181 HydrophobicContact CE-CG 3.57Å; M126-F181 HydrophobicContact CG-CD1 4.13Å; M126-F181 HydrophobicContact CG-CE1 4.02Å; M126-F181 HydrophobicContact CG-CG 4.45Å; M126-F181 HydrophobicContact CG-CZ 4.25Å; N177-F181 PolarHBondContact O-N 3.04Å; F178-F181 HydrophobicContact CD1-CD1 4.41Å; F178-F181 HydrophobicContact CD2-CD1 4.13Å; F178-F181 HydrophobicContact CE1-CD1 4.11Å; F178-F181 HydrophobicContact CE1-CE1 4.47Å; F178-F181 AromaticContact CE2-CD1 3.81Å; F178-F181 HydrophobicContact CE2-CD1 3.81Å; F178-F181 AromaticContact CE2-CE1 3.94Å; F178-F181 HydrophobicContact CE2-CE1 3.94Å; F178-F181 HydrophobicContact CG-CD1 4.43Å; F178-F181 AromaticContact CZ-CD1 3.79Å; F178-F181 HydrophobicContact CZ-CD1 3.79Å; F178-F181 AromaticContact CZ-CE1 3.82Å; F178-F181 HydrophobicContact CZ-CE1 3.82Å; F178-F181 WeakPolarHBondContact O-CB 3.44Å; F178-F181 PolarHBondContact O-N 3.18Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 2.92Å; F181-E184 PolarHBondContact O-N 2.84Å; F181-M185 HydrophobicContact CD1-CG 4.48Å; F181-M185 HydrophobicContact CD2-CE 4.05Å; F181-M185 HydrophobicContact CD2-CG 4.18Å; F181-M185 HydrophobicContact CD2-SD 4.39Å; F181-M185 HydrophobicContact CE1-CG 4.16Å; F181-M185 HydrophobicContact CE2-CE 3.77Å; F181-M185 HydrophobicContact CE2-CG 3.84Å; F181-M185 HydrophobicContact CE2-SD 3.69Å; F181-M185 HydrophobicContact CG-CG 4.49Å; F181-M185 HydrophobicContact CZ-CG 3.84Å; F181-M185 HydrophobicContact CZ-SD 3.94Å; F181-M185 VanDerWaalsContact O-CG 3.3Å; F181-M185 WeakPolarHBondContact O-CG 3.25Å; F181-M185 PolarHBondContact O-N 2.72Å
182R95.8Very high90.6Very high22 Ų2252 Ų528%0.08326%0.261CS..Hα-helixtrans-53.9-45.2172.5-74.3-171.1178.995.811.3111F34 Y39 I76 N77 E80 F178 P179 Q180 M185 L186F34-R182 HydrophobicContact CE1-CB 3.93Å; F34-R182 WeakPolarHBondContact CE1-O 3.46Å; F34-R182 HydrophobicContact CZ-CB 3.94Å; F34-R182 HydrophobicContact CZ-CG 4.15Å; Y39-R182 VanDerWaalsContact CE1-CD 3.45Å; Y39-R182 WeakPolarHBondContact OH-CD 3.36Å; I76-R182 HydrophobicContact CG2-CG 4.28Å; N77-R182 PolarHBondContact O-NH2 3.16Å; N77-R182 PolarHBondContact OD1-NE 3.34Å; E80-R182 IonicContact OE2-CZ 3.59Å; E80-R182 IonicContact OE2-NH1 3.67Å; E80-R182 PolarHBondContact OE2-NH1 2.91Å; E80-R182 IonicContact OE2-NH2 2.71Å; E80-R182 PolarHBondContact OE2-NH2 2.68Å; F178-R182 HydrophobicContact CD1-CG 3.83Å; F178-R182 VanDerWaalsContact CD1-CZ 3.45Å; F178-R182 HydrophobicContact CE1-CG 3.66Å; F178-R182 VanDerWaalsContact CE1-CZ 3.46Å; F178-R182 PolarHBondContact O-N 2.96Å; P179-R182 PolarHBondContact O-N 3.11Å; Q180-R182 PolarHBondContact O-N 3.14Å; R182-M185 PolarHBondContact O-N 3.24Å; R182-L186 PolarHBondContact O-N 3.37Å
183K95.6Very high91Very high102 Ų10250.1 Ų50.144%0.44325%0.249SC..Hα-helixtrans-64.7-39.7177.9-69.7174.2-177.9-178.80113.1P179 Q180 F181 L186 C187P179-K183 WeakPolarHBondContact O-CG 3.45Å; P179-K183 PolarHBondContact O-N 3.32Å; P179-K183 VanDerWaalsContact O-N 3.14Å; Q180-K183 WeakPolarHBondContact O-CB 3.35Å; Q180-K183 PolarHBondContact O-N 3.46Å; Q180-K183 VanDerWaalsContact O-N 3.11Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 2.92Å; K183-L186 PolarHBondContact O-N 3.44Å; K183-C187 WeakPolarHBondContact O-CB 3.25Å; K183-C187 PolarHBondContact O-N 3.04Å
184E96.7Very high91Very high52 Ų5254.2 Ų54.224%0.24328%0.277CS..Hα-helixtrans-65.4-39.5175.3-74.3167.9-155.800112L122 Q180 F181 C187 F188L122-E184 HydrophobicContact CD1-CB 4.35Å; L122-E184 WeakPolarHBondContact CD1-OE2 3.5Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.4Å; Q180-E184 PolarHBondContact NE2-OE1 2.85Å; Q180-E184 PolarHBondContact O-N 3.44Å; F181-E184 PolarHBondContact O-N 2.84Å; E184-C187 PolarHBondContact O-N 2.9Å; E184-F188 PolarHBondContact O-N 2.53Å
185M97.6Very high91.2Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-65.6-39.9173.9-62.7-57.894.700112.1F72 I76 V119 L122 I123 F181 R182 F188 C189F72-M185 HydrophobicContact CE1-CB 4.08Å; F72-M185 HydrophobicContact CE1-CG 4.44Å; F72-M185 HydrophobicContact CE1-SD 4.1Å; F72-M185 HydrophobicContact CZ-SD 3.75Å; I76-M185 HydrophobicContact CD1-CG 3.9Å; I76-M185 HydrophobicContact CD1-SD 4.1Å; I76-M185 HydrophobicContact CG1-CB 4.18Å; I76-M185 HydrophobicContact CG1-CG 3.94Å; I76-M185 HydrophobicContact CG2-CB 3.9Å; I76-M185 HydrophobicContact CG2-CG 3.77Å; V119-M185 HydrophobicContact CG1-CE 3.98Å; V119-M185 HydrophobicContact CG1-SD 3.77Å; V119-M185 HydrophobicContact CG2-CE 4.32Å; L122-M185 HydrophobicContact CB-CE 4.03Å; L122-M185 HydrophobicContact CD1-CE 3.61Å; I123-M185 HydrophobicContact CD1-SD 4.37Å; I123-M185 HydrophobicContact CG1-SD 4.01Å; F181-M185 HydrophobicContact CD1-CG 4.48Å; F181-M185 HydrophobicContact CD2-CE 4.05Å; F181-M185 HydrophobicContact CD2-CG 4.18Å; F181-M185 HydrophobicContact CD2-SD 4.39Å; F181-M185 HydrophobicContact CE1-CG 4.16Å; F181-M185 HydrophobicContact CE2-CE 3.77Å; F181-M185 HydrophobicContact CE2-CG 3.84Å; F181-M185 HydrophobicContact CE2-SD 3.69Å; F181-M185 HydrophobicContact CG-CG 4.49Å; F181-M185 HydrophobicContact CZ-CG 3.84Å; F181-M185 HydrophobicContact CZ-SD 3.94Å; F181-M185 VanDerWaalsContact O-CG 3.3Å; F181-M185 WeakPolarHBondContact O-CG 3.25Å; F181-M185 PolarHBondContact O-N 2.72Å; R182-M185 PolarHBondContact O-N 3.24Å; M185-F188 WeakPolarHBondContact O-CB 3.43Å; M185-F188 PolarHBondContact O-N 3.33Å; M185-C189 PolarHBondContact O-N 2.85Å; M185-C189 PolarHBondContact O-SG 2.95Å
186L96.1Very high91.5Very high11 Ų1148.7 Ų48.76%0.05825%0.252CS..Hα-helixtrans-64.4-43.3173.8-178.273.2000111.9F34 K35 L73 R182 K183 F188 C189 Q190 F195F34-L186 HydrophobicContact CD1-CB 4.09Å; F34-L186 HydrophobicContact CD1-CD1 4.09Å; F34-L186 HydrophobicContact CD1-CD2 4.22Å; F34-L186 HydrophobicContact CD1-CG 4.35Å; F34-L186 HydrophobicContact CE1-CB 4Å; K35-L186 HydrophobicContact CB-CD2 3.85Å; L73-L186 HydrophobicContact CD1-CD1 4.07Å; L73-L186 HydrophobicContact CD2-CB 4.49Å; L73-L186 HydrophobicContact CD2-CD1 4.27Å; R182-L186 PolarHBondContact O-N 3.37Å; K183-L186 PolarHBondContact O-N 3.44Å; L186-F188 VanDerWaalsContact C-N 3.28Å; L186-F188 PolarHBondContact O-N 3.05Å; L186-C189 WeakPolarHBondContact O-CB 3.29Å; L186-C189 PolarHBondContact O-N 3.12Å; L186-C189 VanDerWaalsContact O-N 3.1Å; L186-Q190 WeakPolarHBondContact O-CG 3.35Å; L186-Q190 PolarHBondContact O-N 3.1Å; L186-F195 HydrophobicContact CD1-CE2 4.29Å
187C95.4Very high92.1Very high63 Ų6349.7 Ų49.743%0.42626%0.26SS..Hα-helixtrans-60.3-37.7176.6-178.20000111.8K183 E184 K191K183-C187 WeakPolarHBondContact O-CB 3.25Å; K183-C187 PolarHBondContact O-N 3.04Å; E184-C187 PolarHBondContact O-N 2.9Å; C187-K191 PolarHBondContact O-N 3.25Å
188F96.4Very high92.4Very high6 Ų645.5 Ų45.53%0.02624%0.238CC..Hα-helixtrans-62.4-48.3169.7166.6-113.9000112.4F72 L102 I111 D115 V119 E184 M185 L186 Q190 K191 L192F72-F188 HydrophobicContact CE1-CD1 4.05Å; F72-F188 HydrophobicContact CE1-CE1 4.35Å; F72-F188 HydrophobicContact CZ-CD1 4.36Å; F72-F188 HydrophobicContact CZ-CE1 4.41Å; L102-F188 HydrophobicContact CD1-CE1 3.54Å; L102-F188 HydrophobicContact CD1-CZ 3.58Å; I111-F188 HydrophobicContact CD1-CZ 4.3Å; I111-F188 HydrophobicContact CG2-CE2 4.02Å; I111-F188 HydrophobicContact CG2-CZ 4.06Å; D115-F188 HydrophobicContact CB-CD2 4.07Å; D115-F188 HydrophobicContact CB-CE2 3.96Å; V119-F188 HydrophobicContact CG1-CD1 4.03Å; V119-F188 HydrophobicContact CG1-CE1 4.14Å; V119-F188 HydrophobicContact CG1-CG 4.43Å; V119-F188 HydrophobicContact CG2-CB 3.8Å; V119-F188 HydrophobicContact CG2-CD1 4.01Å; V119-F188 HydrophobicContact CG2-CD2 3.68Å; V119-F188 HydrophobicContact CG2-CE1 4.48Å; V119-F188 HydrophobicContact CG2-CE2 4.18Å; V119-F188 HydrophobicContact CG2-CG 3.56Å; E184-F188 PolarHBondContact O-N 2.53Å; M185-F188 WeakPolarHBondContact O-CB 3.43Å; M185-F188 PolarHBondContact O-N 3.33Å; L186-F188 VanDerWaalsContact C-N 3.28Å; L186-F188 PolarHBondContact O-N 3.05Å; F188-Q190 VanDerWaalsContact C-N 3.27Å; F188-Q190 PolarHBondContact O-N 2.83Å; F188-K191 WeakPolarHBondContact O-CB 3.38Å; F188-K191 PolarHBondContact O-N 2.98Å; F188-L192 HydrophobicContact CD1-CD1 4.46Å; F188-L192 HydrophobicContact CE1-CD1 3.79Å; F188-L192 HydrophobicContact CE1-CG 4.42Å; F188-L192 HydrophobicContact CE2-CD1 4.28Å; F188-L192 HydrophobicContact CE2-CD2 3.87Å; F188-L192 HydrophobicContact CE2-CG 4.18Å; F188-L192 HydrophobicContact CZ-CD1 3.7Å; F188-L192 HydrophobicContact CZ-CD2 4.04Å; F188-L192 HydrophobicContact CZ-CG 4.11Å; F188-L192 PolarHBondContact O-N 2.87Å
189C95.4Very high92.5Very high0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-59.1-36.5178-69.10000113.2V69 L73 M185 L186 K191 L192 C193 F195V69-C189 HydrophobicContact CG1-CB 3.68Å; L73-C189 HydrophobicContact CD1-CB 4.41Å; L73-C189 HydrophobicContact CD2-CB 4.44Å; M185-C189 PolarHBondContact O-N 2.85Å; M185-C189 PolarHBondContact O-SG 2.95Å; L186-C189 WeakPolarHBondContact O-CB 3.29Å; L186-C189 PolarHBondContact O-N 3.12Å; L186-C189 VanDerWaalsContact O-N 3.1Å; C189-K191 PolarHBondContact O-N 2.95Å; C189-L192 PolarHBondContact O-N 3.45Å; C189-L192 VanDerWaalsContact O-N 3.09Å; C189-C193 PolarHBondContact O-N 3.48Å; C189-F195 HydrophobicContact CB-CZ 4.43Å
190Q92.9Very high92.7Very high88 Ų8850.2 Ų50.241%0.41126%0.256SS..Hα-helixtrans-62.3-26.8173.9-76.6170.2-22.600113.6L186 F188 F195L186-Q190 WeakPolarHBondContact O-CG 3.35Å; L186-Q190 PolarHBondContact O-N 3.1Å; F188-Q190 VanDerWaalsContact C-N 3.27Å; F188-Q190 PolarHBondContact O-N 2.83Å; Q190-F195 HydrophobicContact CB-CE2 4.32Å; Q190-F195 HydrophobicContact CB-CZ 4.47Å; Q190-F195 HydrophobicContact CG-CD2 3.74Å; Q190-F195 HydrophobicContact CG-CE2 3.17Å; Q190-F195 HydrophobicContact CG-CZ 3.69Å
191K92.6Very high92.8Very high128 Ų12849.7 Ų49.756%0.55725%0.253SS*.Hα-helixtrans-78.3-25.8173.1-60.8178.8-171.4-174.20113.1D115 C187 F188 C189D115-K191 WeakPolarHBondContact OD1-CD 3.46Å; D115-K191 IonicContact OD1-NZ 2.65Å; D115-K191 PolarHBondContact OD1-NZ 2.84Å; C187-K191 PolarHBondContact O-N 3.25Å; F188-K191 WeakPolarHBondContact O-CB 3.38Å; F188-K191 PolarHBondContact O-N 2.98Å; C189-K191 PolarHBondContact O-N 2.95Å
192L91.4Very high92.8Very high28 Ų2855 Ų5515%0.14728%0.276CS..Hα-helixtrans-79.5-38.3-175.3-63.6-170.6000112.7L65 V69 M105 I111 F188 C189L65-L192 WeakPolarHBondContact CD2-O 3.4Å; V69-L192 HydrophobicContact CG2-CB 4.32Å; V69-L192 HydrophobicContact CG2-CD1 4.15Å; M105-L192 HydrophobicContact CE-CD1 3.78Å; I111-L192 HydrophobicContact CB-CD2 4.45Å; I111-L192 HydrophobicContact CD1-CD1 4.07Å; I111-L192 HydrophobicContact CD1-CD2 4.27Å; I111-L192 HydrophobicContact CG1-CD2 3.94Å; I111-L192 HydrophobicContact CG2-CD2 4.17Å; F188-L192 HydrophobicContact CD1-CD1 4.46Å; F188-L192 HydrophobicContact CE1-CD1 3.79Å; F188-L192 HydrophobicContact CE1-CG 4.42Å; F188-L192 HydrophobicContact CE2-CD1 4.28Å; F188-L192 HydrophobicContact CE2-CD2 3.87Å; F188-L192 HydrophobicContact CE2-CG 4.18Å; F188-L192 HydrophobicContact CZ-CD1 3.7Å; F188-L192 HydrophobicContact CZ-CD2 4.04Å; F188-L192 HydrophobicContact CZ-CG 4.11Å; F188-L192 PolarHBondContact O-N 2.87Å; C189-L192 PolarHBondContact O-N 3.45Å; C189-L192 VanDerWaalsContact O-N 3.09Å
193C86.8Confident92.9Very high4 Ų456.1 Ų56.13%0.02729%0.29CS..SBendtrans-145.8136.5179.258.30000110.6L65 C189 F195L65-C193 HydrophobicContact CD2-CB 4.19Å; L65-C193 HydrophobicContact CG-CB 4.37Å; C189-C193 PolarHBondContact O-N 3.48Å; C193-F195 WeakPolarHBondContact O-CD1 3.38Å; C193-F195 WeakPolarHBondContact O-CE1 3.32Å
194P79.9Confident93Very high92 Ų9253.7 Ų53.760%0.59729%0.289SS*.  trans-70.8132.517929.5-34000110.3T196P194-T196 VanDerWaalsContact C-N 3.33Å; P194-T196 HydrophobicContact CB-CG2 4.42Å; P194-T196 HydrophobicContact CG-CG2 4.43Å; P194-T196 PolarHBondContact O-N 3.31Å
195F82.4Confident92.9Very high58 Ų5854.9 Ų54.925%0.25430%0.297SS..  trans-83.180.9177.6-60.2-14.7000109.6F27 V31 L186 C189 Q190 C193F27-F195 AromaticContact CE1-CD1 3.78Å; F27-F195 HydrophobicContact CE1-CD1 3.78Å; F27-F195 AromaticContact CE1-CE1 3.9Å; F27-F195 HydrophobicContact CE1-CE1 3.9Å; F27-F195 HydrophobicContact CZ-CD1 4.13Å; F27-F195 AromaticContact CZ-CE1 3.76Å; F27-F195 HydrophobicContact CZ-CE1 3.76Å; V31-F195 HydrophobicContact CB-CD2 4.33Å; V31-F195 HydrophobicContact CB-CE2 4.17Å; V31-F195 HydrophobicContact CG1-CD2 3.28Å; V31-F195 HydrophobicContact CG1-CE2 3.33Å; V31-F195 HydrophobicContact CG1-CG 4.08Å; V31-F195 HydrophobicContact CG1-CZ 4.22Å; V31-F195 HydrophobicContact CG2-CD1 4.49Å; V31-F195 HydrophobicContact CG2-CD2 4.14Å; V31-F195 HydrophobicContact CG2-CE1 4.13Å; V31-F195 HydrophobicContact CG2-CE2 3.69Å; V31-F195 HydrophobicContact CG2-CG 4.49Å; V31-F195 HydrophobicContact CG2-CZ 3.71Å; L186-F195 HydrophobicContact CD1-CE2 4.29Å; C189-F195 HydrophobicContact CB-CZ 4.43Å; Q190-F195 HydrophobicContact CB-CE2 4.32Å; Q190-F195 HydrophobicContact CB-CZ 4.47Å; Q190-F195 HydrophobicContact CG-CD2 3.74Å; Q190-F195 HydrophobicContact CG-CE2 3.17Å; Q190-F195 HydrophobicContact CG-CZ 3.69Å; C193-F195 WeakPolarHBondContact O-CD1 3.38Å; C193-F195 WeakPolarHBondContact O-CE1 3.32Å
196T84.7Confident92.8Very high78 Ų7858.2 Ų58.248%0.47932%0.32SS..PPolyproline II helixtrans-74.5145.9179.353.60000111.4P194 P198P194-T196 VanDerWaalsContact C-N 3.33Å; P194-T196 HydrophobicContact CB-CG2 4.42Å; P194-T196 HydrophobicContact CG-CG2 4.43Å; P194-T196 PolarHBondContact O-N 3.31Å; T196-P198 WeakPolarHBondContact O-CD 3.38Å
197V90.9Very high92.8Very high72 Ų7262.1 Ų62.144%0.43634%0.341SS..PPolyproline II helixtrans-69.4118.7176.2-175.40000109.1H201 K202V197-H201 HydrophobicContact CG1-CB 4.2Å; V197-K202 HydrophobicContact CG1-CG 3.99Å; V197-K202 VanDerWaalsContact O-CE 3.22Å; V197-K202 WeakPolarHBondContact O-CE 3.49Å; V197-K202 PolarHBondContact O-NZ 3.07Å
198P93.6Very high92.8Very high5 Ų562.8 Ų62.83%0.03234%0.342CS..PPolyproline II helixtrans-76.1159.7-17029.9-34.6000112.3E24 Y25 T196 L200 H201 K202E24-P198 HydrophobicContact CB-CB 4.02Å; Y25-P198 HydrophobicContact CD2-CG 4.28Å; T196-P198 WeakPolarHBondContact O-CD 3.38Å; P198-L200 PolarHBondContact O-N 3.39Å; P198-H201 HydrophobicContact CG-CB 3.85Å; P198-H201 PolarHBondContact O-N 3.29Å; P198-K202 PolarHBondContact O-N 3.08Å
199F95.3Very high92.8Very high101 Ų10167.4 Ų67.444%0.44336%0.364SS..Hα-helixtrans-55.8-48.2-175.4172.3-107.3000113.2W21 H201 K202 A203W21-F199 AromaticContact CD2-CD1 3.61Å; W21-F199 HydrophobicContact CD2-CD1 3.61Å; W21-F199 HydrophobicContact CD2-CE1 4.14Å; W21-F199 HydrophobicContact CD2-CG 4.48Å; W21-F199 AromaticContact CE2-CD1 3.64Å; W21-F199 AromaticContact CE3-CD1 3.83Å; W21-F199 HydrophobicContact CE3-CD1 3.83Å; W21-F199 AromaticContact CE3-CE1 3.93Å; W21-F199 HydrophobicContact CE3-CE1 3.93Å; W21-F199 HydrophobicContact CG-CD1 4.1Å; W21-F199 HydrophobicContact CH2-CD1 4.11Å; W21-F199 AromaticContact CH2-CE1 3.72Å; W21-F199 HydrophobicContact CH2-CE1 3.72Å; W21-F199 HydrophobicContact CH2-CZ 4.37Å; W21-F199 AromaticContact CZ2-CD1 3.9Å; W21-F199 HydrophobicContact CZ2-CD1 3.9Å; W21-F199 AromaticContact CZ2-CE1 3.93Å; W21-F199 HydrophobicContact CZ2-CE1 3.93Å; W21-F199 HydrophobicContact CZ3-CD1 4.07Å; W21-F199 AromaticContact CZ3-CE1 3.72Å; W21-F199 HydrophobicContact CZ3-CE1 3.72Å; F199-H201 VanDerWaalsContact C-N 3.26Å; F199-H201 PolarHBondContact O-N 3.29Å; F199-K202 PolarHBondContact O-N 3.01Å; F199-K202 VanDerWaalsContact O-N 3.15Å; F199-A203 HydrophobicContact CZ-CB 4.48Å; F199-A203 PolarHBondContact O-N 3.08Å
200L96.7Very high92.6Very high52 Ų5269.8 Ų69.827%0.27238%0.381SS..Hα-helixtrans-62.2-32.9-179-61177.6000112.7W21 L22 Y25 P198 A204W21-L200 HydrophobicContact CB-CD1 4.04Å; W21-L200 HydrophobicContact CB-CD2 4.39Å; W21-L200 HydrophobicContact CB-CG 4.01Å; W21-L200 HydrophobicContact CE3-CD2 4.41Å; L22-L200 HydrophobicContact CD2-CD1 4Å; Y25-L200 HydrophobicContact CD2-CB 4.04Å; Y25-L200 HydrophobicContact CG-CB 4.27Å; Y25-L200 HydrophobicContact CG-CD1 4.44Å; P198-L200 PolarHBondContact O-N 3.39Å; L200-A204 VanDerWaalsContact O-CB 3.24Å; L200-A204 WeakPolarHBondContact O-CB 3.3Å; L200-A204 PolarHBondContact O-N 3.25Å
201H96Very high92.7Very high74 Ų7472.5 Ų72.534%0.34339%0.387SS..Hα-helixtrans-69.1-43.9175.8-173100.4000111.2Y25 V197 P198 F199 A204 L205Y25-H201 HydrophobicContact CD2-CB 4.22Å; Y25-H201 HydrophobicContact CE2-CB 4.26Å; V197-H201 HydrophobicContact CG1-CB 4.2Å; P198-H201 HydrophobicContact CG-CB 3.85Å; P198-H201 PolarHBondContact O-N 3.29Å; F199-H201 VanDerWaalsContact C-N 3.26Å; F199-H201 PolarHBondContact O-N 3.29Å; H201-A204 PolarHBondContact O-N 3.33Å; H201-L205 WeakPolarHBondContact O-CG 3.39Å; H201-L205 PolarHBondContact O-N 2.75Å
202K96.9Very high92.7Very high118 Ų11869.5 Ų69.551%0.51338%0.377SS..Hα-helixtrans-61.1-44.4174.9-70.5163.2171.6152.20112.2V197 P198 F199 L205 S206V197-K202 HydrophobicContact CG1-CG 3.99Å; V197-K202 VanDerWaalsContact O-CE 3.22Å; V197-K202 WeakPolarHBondContact O-CE 3.49Å; V197-K202 PolarHBondContact O-NZ 3.07Å; P198-K202 PolarHBondContact O-N 3.08Å; F199-K202 PolarHBondContact O-N 3.01Å; F199-K202 VanDerWaalsContact O-N 3.15Å; K202-L205 PolarHBondContact O-N 3.33Å; K202-S206 PolarHBondContact O-N 2.82Å; K202-S206 VanDerWaalsContact O-N 3.13Å
203A97.1Very high92.5Very high47 Ų4773.6 Ų73.639%0.38840%0.395SS..Hα-helixtrans-64.7-40177.300000112.1F199 L207F199-A203 HydrophobicContact CZ-CB 4.48Å; F199-A203 PolarHBondContact O-N 3.08Å; A203-L207 WeakPolarHBondContact O-CB 3.31Å; A203-L207 PolarHBondContact O-N 3.26Å
204A97.1Very high92.4Very high51 Ų5177.3 Ų77.342%0.42142%0.417SS..Hα-helixtrans-66.8-43.2175.400000112.6L200 H201 L207 V208L200-A204 VanDerWaalsContact O-CB 3.24Å; L200-A204 WeakPolarHBondContact O-CB 3.3Å; L200-A204 PolarHBondContact O-N 3.25Å; H201-A204 PolarHBondContact O-N 3.33Å; A204-L207 PolarHBondContact O-N 3.32Å; A204-V208 WeakPolarHBondContact O-CG2 3.38Å; A204-V208 PolarHBondContact O-N 2.91Å
205L95.9Very high92.4Very high76 Ų7679.4 Ų79.440%0.39842%0.419SS..Hα-helixtrans-57.3-53.1175.9-76.2177.5000111.4H201 K202 L207 V208 E209H201-L205 WeakPolarHBondContact O-CG 3.39Å; H201-L205 PolarHBondContact O-N 2.75Å; K202-L205 PolarHBondContact O-N 3.33Å; L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.21Å; L205-V208 CarbonylContact O-C 3.59Å; L205-V208 WeakPolarHBondContact O-CA 3.5Å; L205-V208 WeakPolarHBondContact O-CB 3.3Å; L205-V208 PolarHBondContact O-N 3.12Å; L205-E209 WeakPolarHBondContact O-CG 3.37Å; L205-E209 PolarHBondContact O-N 2.84Å
206S95.8Very high92.2Very high71 Ų7184 Ų8450%0.49744%0.435SS..Hα-helixtrans-60.7-33.9-179.8-178.10000112.9K202 V208 E209 S210K202-S206 PolarHBondContact O-N 2.82Å; K202-S206 VanDerWaalsContact O-N 3.13Å; S206-V208 VanDerWaalsContact C-N 3.35Å; S206-E209 WeakPolarHBondContact CA-OE2 3.32Å; S206-S210 WeakPolarHBondContact O-CB 3.45Å; S206-S210 PolarHBondContact O-N 3.16Å; S206-S210 VanDerWaalsContact O-N 3.13Å; S206-S210 PolarHBondContact O-OG 2.95Å
207L95.8Very high91.6Very high93 Ų9386 Ų8649%0.48744%0.442SS..Hα-helixtrans-72.2-24.6173.7-178.460.1000113.4A203 A204 L205 R211A203-L207 WeakPolarHBondContact O-CB 3.31Å; A203-L207 PolarHBondContact O-N 3.26Å; A204-L207 PolarHBondContact O-N 3.32Å; L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.21Å; L207-R211 VanDerWaalsContact O-CD 3.23Å; L207-R211 WeakPolarHBondContact O-CD 3.42Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-NE 3.04Å
208V95.6Very high90.1Very high76 Ų7684.5 Ų84.546%0.46144%0.442SS..Hα-helixtrans-82.3-46.5173.1170.60000110.6A204 L205 S206 S210 R211 I212A204-V208 WeakPolarHBondContact O-CG2 3.38Å; A204-V208 PolarHBondContact O-N 2.91Å; L205-V208 CarbonylContact O-C 3.59Å; L205-V208 WeakPolarHBondContact O-CA 3.5Å; L205-V208 WeakPolarHBondContact O-CB 3.3Å; L205-V208 PolarHBondContact O-N 3.12Å; S206-V208 VanDerWaalsContact C-N 3.35Å; V208-S210 PolarHBondContact O-N 3.08Å; V208-R211 WeakPolarHBondContact O-CB 3.48Å; V208-R211 PolarHBondContact O-N 3.41Å; V208-R211 VanDerWaalsContact O-N 3.08Å; V208-I212 HydrophobicContact CG1-CD1 3.75Å; V208-I212 HydrophobicContact CG1-CG1 4.44Å; V208-I212 WeakPolarHBondContact O-CG1 3.16Å; V208-I212 PolarHBondContact O-N 2.94Å; V208-I212 VanDerWaalsContact O-N 3.12Å
209E94.8Very high88.4Confident104 Ų10487.1 Ų87.149%0.48646%0.464SS..Hα-helixtrans-54.4-51.7178.2-70.5162.6164.500111.1L205 S206 R211 I212 E213L205-E209 WeakPolarHBondContact O-CG 3.37Å; L205-E209 PolarHBondContact O-N 2.84Å; S206-E209 WeakPolarHBondContact CA-OE2 3.32Å; E209-R211 VanDerWaalsContact C-N 3.25Å; E209-R211 PolarHBondContact O-N 2.86Å; E209-I212 PolarHBondContact O-N 2.99Å; E209-I212 VanDerWaalsContact O-N 3.11Å; E209-E213 WeakPolarHBondContact O-CG 3.4Å; E209-E213 PolarHBondContact O-N 2.86Å
210S93.3Very high86.4Confident49 Ų4986.7 Ų86.734%0.34347%0.469SS..Hα-helixtrans-66.5-18178.455.80000115.1S206 V208 V214S206-S210 WeakPolarHBondContact O-CB 3.45Å; S206-S210 PolarHBondContact O-N 3.16Å; S206-S210 VanDerWaalsContact O-N 3.13Å; S206-S210 PolarHBondContact O-OG 2.95Å; V208-S210 PolarHBondContact O-N 3.08Å; S210-V214 WeakPolarHBondContact O-CG2 3.32Å
211R93.8Very high84.2Confident146 Ų14693.7 Ų93.755%0.55149%0.492SS*.Hα-helixtrans-77.3-45.3169.3-72.5168.3-173.1-160.50.1111L207 V208 E209 E213 V214 E215L207-R211 VanDerWaalsContact O-CD 3.23Å; L207-R211 WeakPolarHBondContact O-CD 3.42Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-NE 3.04Å; V208-R211 WeakPolarHBondContact O-CB 3.48Å; V208-R211 PolarHBondContact O-N 3.41Å; V208-R211 VanDerWaalsContact O-N 3.08Å; E209-R211 VanDerWaalsContact C-N 3.25Å; E209-R211 PolarHBondContact O-N 2.86Å; R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.32Å; R211-V214 PolarHBondContact O-N 2.85Å; R211-E215 WeakPolarHBondContact O-CG 3.38Å; R211-E215 PolarHBondContact O-N 3.39Å
212I92.1Very high82.2Confident65 Ų6594.5 Ų94.533%0.33351%0.506SS..Hα-helixtrans-65.5-35.1-179.3-58.2164.2000110.5V208 E209 E215 R216V208-I212 HydrophobicContact CG1-CD1 3.75Å; V208-I212 HydrophobicContact CG1-CG1 4.44Å; V208-I212 WeakPolarHBondContact O-CG1 3.16Å; V208-I212 PolarHBondContact O-N 2.94Å; V208-I212 VanDerWaalsContact O-N 3.12Å; E209-I212 PolarHBondContact O-N 2.99Å; E209-I212 VanDerWaalsContact O-N 3.11Å; I212-E215 PolarHBondContact O-N 3.15Å; I212-R216 VanDerWaalsContact CG2-CZ 3.44Å; I212-R216 WeakPolarHBondContact O-CG 3.3Å; I212-R216 PolarHBondContact O-N 2.95Å
213E87.1Confident80Confident113 Ų11395.9 Ų95.953%0.52852%0.519SS..Hα-helixtrans-59-49.6171-71.8172.2165.600112E209 R211 E215 R216 D217E209-E213 WeakPolarHBondContact O-CG 3.4Å; E209-E213 PolarHBondContact O-N 2.86Å; R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.32Å; E213-E215 VanDerWaalsContact C-N 3.28Å; E213-E215 PolarHBondContact O-N 3.36Å; E213-R216 PolarHBondContact O-N 3.4Å; E213-D217 PolarHBondContact O-N 3.13Å
214V86.6Confident77.9Confident82 Ų82101.8 Ų101.850%0.49754%0.539SS..Hα-helixtrans-63.7-32.4178.2170.90000112.5S210 R211 G218S210-V214 WeakPolarHBondContact O-CG2 3.32Å; R211-V214 PolarHBondContact O-N 2.85Å; V214-G218 PolarHBondContact O-N 3.23Å; V214-G218 VanDerWaalsContact O-N 3.11Å
215E80Confident75.6Confident137 Ų137107 Ų10764%0.6455%0.554SS**Hα-helixtrans-71-39.4174.6-73.2171.3-176.300112.2R211 I212 E213 G218 A219R211-E215 WeakPolarHBondContact O-CG 3.38Å; R211-E215 PolarHBondContact O-N 3.39Å; I212-E215 PolarHBondContact O-N 3.15Å; E213-E215 VanDerWaalsContact C-N 3.28Å; E213-E215 PolarHBondContact O-N 3.36Å; E215-G218 PolarHBondContact O-N 2.86Å; E215-A219 PolarHBondContact O-N 3.48Å; E215-A219 VanDerWaalsContact O-N 3.07Å
216R77.8Confident73.3Confident155 Ų155112.6 Ų112.659%0.58558%0.578SS**Hα-helixtrans-65.6-46.3174.6-71.3178.8-169.4126.2-1.3112.2I212 E213 G218 A219 V220I212-R216 VanDerWaalsContact CG2-CZ 3.44Å; I212-R216 WeakPolarHBondContact O-CG 3.3Å; I212-R216 PolarHBondContact O-N 2.95Å; E213-R216 PolarHBondContact O-N 3.4Å; R216-G218 PolarHBondContact O-N 3.49Å; R216-A219 PolarHBondContact O-N 3.38Å; R216-A219 VanDerWaalsContact O-N 3.12Å; R216-V220 PolarHBondContact O-N 3.42Å
217D70.9Confident70.6Confident118 Ų118118 Ų11863%0.63160%0.596SS**Hα-helixtrans-61-34.2175.8-81.79.7000111.7E213 R221E213-D217 PolarHBondContact O-N 3.13Å; D217-R221 VanDerWaalsContact O-CB 3.24Å; D217-R221 WeakPolarHBondContact O-CB 3.28Å; D217-R221 PolarHBondContact O-N 3.47Å
218G59.6Low68.1Low42 Ų42117.3 Ų117.343%0.43360%0.604SS.*Hα-helixtrans-67.7-36.3174.300000113.7V214 E215 R216 S222V214-G218 PolarHBondContact O-N 3.23Å; V214-G218 VanDerWaalsContact O-N 3.11Å; E215-G218 PolarHBondContact O-N 2.86Å; R216-G218 PolarHBondContact O-N 3.49Å; G218-S222 PolarHBondContact O-OG 3.35Å
219A57.5Low65.4Low59 Ų59119.1 Ų119.149%0.48862%0.619SS.*Hα-helixtrans-69.5-5517500000111.6E215 R216 R221 S222E215-A219 PolarHBondContact O-N 3.48Å; E215-A219 VanDerWaalsContact O-N 3.07Å; R216-A219 PolarHBondContact O-N 3.38Å; R216-A219 VanDerWaalsContact O-N 3.12Å; A219-R221 VanDerWaalsContact C-N 3.27Å; A219-R221 PolarHBondContact O-N 2.97Å; A219-S222 VanDerWaalsContact O-CB 3.31Å; A219-S222 WeakPolarHBondContact O-CB 3.46Å; A219-S222 PolarHBondContact O-N 3.24Å
220V54.3Low63.6Low92 Ų92119.6 Ų119.656%0.55863%0.631SS**Hα-helixtrans-57.8-40.3-176.9174.80000111.8R216 S222 D223R216-V220 PolarHBondContact O-N 3.42Å; V220-S222 PolarHBondContact O-N 2.95Å; V220-S222 VanDerWaalsContact O-N 3.13Å; V220-D223 PolarHBondContact O-N 3.15Å
221R50.9Low60.6Low199 Ų199123.1 Ų123.175%0.75166%0.656SS**THydrogen-bonded Turntrans-71.5-3.1179.7-156.5178.3-165.4131.39.8114.4D217 A219D217-R221 VanDerWaalsContact O-CB 3.24Å; D217-R221 WeakPolarHBondContact O-CB 3.28Å; D217-R221 PolarHBondContact O-N 3.47Å; A219-R221 VanDerWaalsContact C-N 3.27Å; A219-R221 PolarHBondContact O-N 2.97Å
222S54Low57.8Low91 Ų91126.5 Ų126.564%0.63667%0.671SS**THydrogen-bonded Turntrans-89.2-19.4176.2-590000113.2G218 A219 V220G218-S222 PolarHBondContact O-OG 3.35Å; A219-S222 VanDerWaalsContact O-CB 3.31Å; A219-S222 WeakPolarHBondContact O-CB 3.46Å; A219-S222 PolarHBondContact O-N 3.24Å; V220-S222 PolarHBondContact O-N 2.95Å; V220-S222 VanDerWaalsContact O-N 3.13Å
223D50.3Low54.9Low147 Ų147129.1 Ų129.179%0.78670%0.695SS**THydrogen-bonded Turntrans-96.6-18.1-174.8-68.9-24.8000114V220V220-D223 PolarHBondContact O-N 3.15Å
224E52.1Low53.1Low172 Ų172129.1 Ų129.180%0.80470%0.704SS**SBendtrans-100.717.1-174.3-65.1-165.8136.800115.1
225Q49.8Very low50.7Low159 Ų159133.6 Ų133.674%0.74372%0.72SS**  trans-117.748.6-173.1-152.6172.4-31.600116
226E47.4Very low48.3Very low195 Ų195133.1 Ų133.191%0.91173%0.726SS**  trans-125.780.2154.7-78.7-157137.200111.8
227E39.9Very low46.2Very low184 Ų184131.8 Ų131.886%0.8673%0.731SS**  trans-164.9162.3147.7-110.4-61.2161.300109.1
228A42.3Very low44.2Very low79 Ų79129.7 Ų129.765%0.65374%0.737SS**  trans-97.1176.6-175.300000111.6
229S39.8Very low43.1Very low113 Ų113137.1 Ų137.179%0.7976%0.758SS**  cis-158-179.813.6-135.10000109.5
230P57.1Low42.1Very low114 Ų114142.9 Ų142.974%0.7477%0.774SS**  trans-88.6160.8-16435.7-36.9000116
231S28.8Very low41Very low123 Ų123149.1 Ų149.186%0.8679%0.794SS**  trans-146.2152.7164.3-171.80000111.6
232Y34.8Very low40Very low218 Ų218151 Ų15186%0.85580%0.802SS**  trans-118.8135.5-172.1-90.3-99.4000112.5
233S32.9Very low39.3Very low120 Ų120152 Ų15284%0.83981%0.808SS**  trans-178.1161.7137.142.30000111.2
234P48Very low38.8Very low113 Ų113156.7 Ų156.773%0.73482%0.815SS**  trans-126162.1-152.942.3-29.7000118.2
235Q37.5Very low38.4Very low175 Ų175158.3 Ų158.382%0.81881%0.814SS**  trans73158.5166.2-50.7-145.917.100115.7
236V29.7Very low38.2Very low127 Ų127155.3 Ų155.377%0.7781%0.81SS**  cis-135.8152.923.8173.80000113.4
237N32.9Very low38.7Very low128 Ų128153 Ų15368%0.68480%0.802SS**  trans-3.6128.3170.8-69.4-14.7000121.2
238G28.7Very low39.6Very low74 Ų74153.5 Ų153.576%0.76380%0.802SS**  trans-136.7106.9147.700000110.8Q240G238-Q240 PolarHBondContact O-N 3.04Å; G238-Q240 VanDerWaalsContact O-N 3.15Å
239F37.4Very low41.2Very low198 Ų198154.8 Ų154.887%0.86880%0.797SS**  trans-7993.8177.1-90.2-86.8000111
240Q36.6Very low43.1Very low179 Ų179155 Ų15584%0.83679%0.786SS**  trans-110.4135.6165.8-82.5-174.5-2000111.3G238 R242G238-Q240 PolarHBondContact O-N 3.04Å; G238-Q240 VanDerWaalsContact O-N 3.15Å; Q240-R242 PolarHBondContact O-N 2.69Å
241F29.7Very low44.2Very low223 Ų223155.3 Ų155.398%0.97878%0.775SS**  trans-63.197.9176.8-100.8-105.6000111S243F241-S243 PolarHBondContact O-N 2.86Å
242R31.2Very low46.5Very low240 Ų240152.8 Ų152.891%0.90676%0.758SS**  trans-7395.5168-73.9-169.5175.2-162.4-0.8109.9Q240 R244Q240-R242 PolarHBondContact O-N 2.69Å; R242-R244 PolarHBondContact O-N 3.13Å
243S38Very low48.9Very low110 Ų110148.6 Ų148.677%0.76974%0.744SS**  trans-52.5133.6161.5-175.80000109.4F241 R245F241-S243 PolarHBondContact O-N 2.86Å; S243-R245 PolarHBondContact O-N 2.79Å
244R39.3Very low51.4Low246 Ų246147.1 Ų147.193%0.92873%0.726SS**  trans-70.292.8-175.6-72-174.2177.1-170.3-0.2110R242 S246R242-R244 PolarHBondContact O-N 3.13Å; R244-S246 PolarHBondContact O-N 2.9Å
245R44.1Very low53Low206 Ų206144.5 Ų144.578%0.77770%0.704SS**  trans-55.8127.4165.5-66.7-177.6177.4-175.7-3108.7S243 I247S243-R245 PolarHBondContact O-N 2.79Å; R245-I247 PolarHBondContact O-N 3.34Å; R245-I247 VanDerWaalsContact O-N 3.12Å
246S46.3Very low55.3Low97 Ų97141 Ų14168%0.67869%0.694SS**  trans-66.1107.8164.251.50000108R244 F248R244-S246 PolarHBondContact O-N 2.9Å; S246-F248 PolarHBondContact O-N 3.35Å; S246-F248 VanDerWaalsContact O-N 3.16Å
247I56.8Low57.9Low145 Ų145137.1 Ų137.174%0.74468%0.676SS**  trans-71.9110.1179.2-58.2175.3000107.7R245 I249R245-I247 PolarHBondContact O-N 3.34Å; R245-I247 VanDerWaalsContact O-N 3.12Å; I247-I249 PolarHBondContact O-N 2.95Å; I247-I249 VanDerWaalsContact O-N 3.14Å
248F59.8Low60.3Low195 Ų195134.1 Ų134.186%0.85566%0.655SS**  trans-66.3109.5165.5-82.3-89000108.3S246S246-F248 PolarHBondContact O-N 3.35Å; S246-F248 VanDerWaalsContact O-N 3.16Å
249I76.6Confident62.8Low107 Ų107136 Ų13655%0.54964%0.642SS.*  trans-80.6122.4177-57.3176.6000107.5I247 K251 K253 L254I247-I249 PolarHBondContact O-N 2.95Å; I247-I249 VanDerWaalsContact O-N 3.14Å; I249-K251 PolarHBondContact O-N 3.36Å; I249-K253 HydrophobicContact CG2-CB 4.06Å; I249-L254 HydrophobicContact CG2-CB 4Å
250Q78.5Confident64.9Low118 Ų118129.4 Ų129.455%0.55162%0.624SS**  trans-59.9136.2174-68.6169.1-59.200109.9S252 K253 L254Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 3.36Å; Q250-S252 VanDerWaalsContact O-N 3.13Å; Q250-K253 HydrophobicContact CB-CD 4.41Å; Q250-K253 WeakPolarHBondContact O-CA 3.45Å; Q250-K253 WeakPolarHBondContact O-CB 3.47Å; Q250-K253 PolarHBondContact O-N 2.94Å; Q250-K253 VanDerWaalsContact OE1-CE 3.31Å; Q250-L254 PolarHBondContact O-N 3.17Å; Q250-L254 VanDerWaalsContact O-N 3.15Å
251K79.9Confident66.9Low120 Ų120127.6 Ų127.652%0.52262%0.62SS.*Hα-helixtrans-46.5-47.3-175.5-176.2-177.8175.9-176.50113.2I249 K253 L254 E255 E274I249-K251 PolarHBondContact O-N 3.36Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.99Å; K251-L254 WeakPolarHBondContact O-CB 3.47Å; K251-L254 PolarHBondContact O-N 2.92Å; K251-L254 VanDerWaalsContact O-N 3.13Å; K251-E255 WeakPolarHBondContact O-CB 3.33Å; K251-E255 PolarHBondContact O-N 3.32Å; K251-E274 WeakPolarHBondContact CE-OE1 3.33Å; K251-E274 WeakPolarHBondContact CE-OE2 3.49Å; K251-E274 IonicContact NZ-OE1 2.72Å; K251-E274 PolarHBondContact NZ-OE1 3.44Å; K251-E274 IonicContact NZ-OE2 3.52Å; K251-E274 PolarHBondContact NZ-OE2 3.17Å
252S78.3Confident68.9Low69 Ų69118.2 Ų118.248%0.48358%0.583SS.*Hα-helixtrans-61.5-33.7177.951.50000114.2Q250 V256Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 3.36Å; Q250-S252 VanDerWaalsContact O-N 3.13Å; S252-V256 WeakPolarHBondContact O-CB 3.38Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.37Å; S252-V256 PolarHBondContact O-N 2.78Å
253K84.9Confident70.5Confident131 Ų131114.3 Ų114.357%0.5758%0.575SS**Hα-helixtrans-73.5-34.1174.9-70.2176177.1159.50111.7I249 Q250 K251 A257I249-K253 HydrophobicContact CG2-CB 4.06Å; Q250-K253 HydrophobicContact CB-CD 4.41Å; Q250-K253 WeakPolarHBondContact O-CA 3.45Å; Q250-K253 WeakPolarHBondContact O-CB 3.47Å; Q250-K253 PolarHBondContact O-N 2.94Å; Q250-K253 VanDerWaalsContact OE1-CE 3.31Å; K251-K253 VanDerWaalsContact C-N 3.33Å; K251-K253 PolarHBondContact O-N 2.99Å; K253-A257 VanDerWaalsContact O-CB 3.32Å; K253-A257 WeakPolarHBondContact O-CB 3.37Å; K253-A257 PolarHBondContact O-N 3.37Å
254L85.1Confident71.4Confident88 Ų88114.8 Ų114.846%0.46158%0.578SS.*Hα-helixtrans-69.2-41.5173.1-17363.8000111.3I249 Q250 K251 A257 Y258 F270I249-L254 HydrophobicContact CG2-CB 4Å; Q250-L254 PolarHBondContact O-N 3.17Å; Q250-L254 VanDerWaalsContact O-N 3.15Å; K251-L254 WeakPolarHBondContact O-CB 3.47Å; K251-L254 PolarHBondContact O-N 2.92Å; K251-L254 VanDerWaalsContact O-N 3.13Å; L254-A257 PolarHBondContact O-N 3.42Å; L254-Y258 WeakPolarHBondContact O-CB 3.43Å; L254-Y258 PolarHBondContact O-N 3.37Å; L254-F270 HydrophobicContact CB-CZ 4.43Å; L254-F270 HydrophobicContact CD2-CZ 4.43Å; L254-F270 HydrophobicContact CG-CE2 4.22Å; L254-F270 HydrophobicContact CG-CZ 4.25Å
255E82.6Confident72.5Confident59 Ų59109.1 Ų109.128%0.27657%0.565SS.*Hα-helixtrans-61.1-47.5174.9-175.1-172163.500112.1K251 Y258 K259 F270K251-E255 WeakPolarHBondContact O-CB 3.33Å; K251-E255 PolarHBondContact O-N 3.32Å; E255-Y258 PolarHBondContact O-N 2.96Å; E255-K259 HydrophobicContact CG-CD 4.13Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.28Å; E255-K259 PolarHBondContact O-N 3.1Å; E255-K259 WeakPolarHBondContact OE1-CE 3.32Å; E255-K259 IonicContact OE1-NZ 3.22Å; E255-K259 PolarHBondContact OE1-NZ 2.9Å; E255-F270 HydrophobicContact CB-CD1 3.91Å; E255-F270 HydrophobicContact CB-CE1 3.56Å; E255-F270 HydrophobicContact CB-CE2 4.32Å; E255-F270 HydrophobicContact CB-CG 4.42Å; E255-F270 HydrophobicContact CB-CZ 3.78Å; E255-F270 HydrophobicContact CG-CD1 3.65Å; E255-F270 HydrophobicContact CG-CE1 3.85Å; E255-F270 HydrophobicContact CG-CG 4.08Å; E255-F270 HydrophobicContact CG-CZ 4.43Å
256V84.2Confident73.3Confident101 Ų101108.6 Ų108.661%0.61257%0.571SS**Hα-helixtrans-64.1-41.6176.6168.80000111.2S252 K259 A260S252-V256 WeakPolarHBondContact O-CB 3.38Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.37Å; S252-V256 PolarHBondContact O-N 2.78Å; V256-K259 PolarHBondContact O-N 3.41Å; V256-A260 WeakPolarHBondContact O-CB 3.07Å; V256-A260 PolarHBondContact O-N 3.35Å
257A84.4Confident74.1Confident46 Ų46112.8 Ų112.838%0.3858%0.58SS.*Hα-helixtrans-63.4-41.617500000112K253 L254 A260 L261K253-A257 VanDerWaalsContact O-CB 3.32Å; K253-A257 WeakPolarHBondContact O-CB 3.37Å; K253-A257 PolarHBondContact O-N 3.37Å; L254-A257 PolarHBondContact O-N 3.42Å; A257-A260 PolarHBondContact O-N 3.5Å; A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 3.32Å; A257-L261 VanDerWaalsContact O-N 3.08Å
258Y83.1Confident75Confident64 Ų64110.5 Ų110.525%0.25157%0.565SS.*Hα-helixtrans-62.6-48.7174.7-176.7-95000111.5L254 E255 A260 L261 A262 K268 F270 L273L254-Y258 WeakPolarHBondContact O-CB 3.43Å; L254-Y258 PolarHBondContact O-N 3.37Å; E255-Y258 PolarHBondContact O-N 2.96Å; Y258-A260 PolarHBondContact O-N 3.22Å; Y258-L261 PolarHBondContact O-N 2.7Å; Y258-A262 HydrophobicContact CD1-CB 4.37Å; Y258-A262 HydrophobicContact CE1-CB 4.12Å; Y258-A262 VanDerWaalsContact O-CB 3.26Å; Y258-A262 WeakPolarHBondContact O-CB 3.49Å; Y258-A262 PolarHBondContact O-N 2.88Å; Y258-K268 PolarHBondContact OH-O 2.87Å; Y258-K268 VanDerWaalsContact OH-O 3.06Å; Y258-F270 HydrophobicContact CD1-CB 3.87Å; Y258-F270 AromaticContact CD1-CD2 3.66Å; Y258-F270 HydrophobicContact CD1-CD2 3.66Å; Y258-F270 HydrophobicContact CD1-CG 4.23Å; Y258-F270 HydrophobicContact CD2-CD2 4.32Å; Y258-F270 HydrophobicContact CE1-CB 4.12Å; Y258-F270 HydrophobicContact CE1-CD2 4.37Å; Y258-F270 AromaticContact CG-CD2 3.61Å; Y258-F270 HydrophobicContact CG-CD2 3.61Å; Y258-F270 HydrophobicContact CG-CE2 4.27Å; Y258-L273 HydrophobicContact CD2-CD1 4.19Å; Y258-L273 HydrophobicContact CE1-CD1 4.44Å; Y258-L273 HydrophobicContact CE2-CD1 3.45Å; Y258-L273 VanDerWaalsContact CE2-CD1 3.45Å
259K82.6Confident76Confident114 Ų114104.8 Ų104.850%0.49655%0.546SS..Hα-helixtrans-64.2-22177.1-73.7175.4174.6175.20113.9E255 V256 Q263E255-K259 HydrophobicContact CG-CD 4.13Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.28Å; E255-K259 PolarHBondContact O-N 3.1Å; E255-K259 WeakPolarHBondContact OE1-CE 3.32Å; E255-K259 IonicContact OE1-NZ 3.22Å; E255-K259 PolarHBondContact OE1-NZ 2.9Å; V256-K259 PolarHBondContact O-N 3.41Å; K259-Q263 WeakPolarHBondContact O-CG 3.3Å; K259-Q263 PolarHBondContact O-NE2 3.12Å; K259-Q263 VanDerWaalsContact O-NE2 3.16Å
260A81.4Confident76.2Confident59 Ų59100.9 Ų100.949%0.48853%0.525SS..Hα-helixtrans-80.9-33.1171.500000112.8V256 A257 Y258V256-A260 WeakPolarHBondContact O-CB 3.07Å; V256-A260 PolarHBondContact O-N 3.35Å; A257-A260 PolarHBondContact O-N 3.5Å; Y258-A260 PolarHBondContact O-N 3.22Å
261L77.7Confident76.3Confident141 Ų14199.1 Ų99.174%0.73853%0.526SS*.Hα-helixtrans-86.1-30.1-179.8-67.9169.8000113.3A257 Y258 Q263A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 3.32Å; A257-L261 VanDerWaalsContact O-N 3.08Å; Y258-L261 PolarHBondContact O-N 2.7Å; L261-Q263 PolarHBondContact O-N 2.76Å
262A72.8Confident76.4Confident26 Ų2697.1 Ų97.122%0.21552%0.521CS..G310 helixtrans-74.1-6.1-177.700000114.3Y258 C264 L265Y258-A262 HydrophobicContact CD1-CB 4.37Å; Y258-A262 HydrophobicContact CE1-CB 4.12Å; Y258-A262 VanDerWaalsContact O-CB 3.26Å; Y258-A262 WeakPolarHBondContact O-CB 3.49Å; Y258-A262 PolarHBondContact O-N 2.88Å; A262-C264 PolarHBondContact O-N 3.41Å; A262-L265 PolarHBondContact O-N 2.94Å
263Q63.6Low76.5Confident158 Ų15896.3 Ų96.374%0.73851%0.511SS*.G310 helixtrans-63.2-3.8-177.5-68.3177.613.800114.9K259 L261K259-Q263 WeakPolarHBondContact O-CG 3.3Å; K259-Q263 PolarHBondContact O-NE2 3.12Å; K259-Q263 VanDerWaalsContact O-NE2 3.16Å; L261-Q263 PolarHBondContact O-N 2.76Å
264C57.6Low76.2Confident121 Ų12193.4 Ų93.482%0.81850%0.499SS*.G310 helixtrans-122.52174-61.40000114A262A262-C264 PolarHBondContact O-N 3.41Å
265L62.6Low76Confident127 Ų12795 Ų9567%0.66550%0.504SS*.  trans-147.477.8-170.3-74.1172.8000111.9A262 E267A262-L265 PolarHBondContact O-N 2.94Å; L265-E267 PolarHBondContact O-N 3.36Å
266E60.5Low76.1Confident194 Ų19496.8 Ų96.891%0.90751%0.513SS*.  trans-80.486.8174-65.8-171.1146.300111.8
267E63.1Low76Confident186 Ų18696.5 Ų96.587%0.86951%0.511SS*.SBendtrans-129.3-22.5169.4-74.3-164.9147.300115L265L265-E267 PolarHBondContact O-N 3.36Å
268K74.9Confident75.7Confident97 Ų9799.2 Ų99.242%0.42252%0.516SS..  trans-144152.6172.7-74.3-171.2172.8-178.20110.1Y258 L273 E276Y258-K268 PolarHBondContact OH-O 2.87Å; Y258-K268 VanDerWaalsContact OH-O 3.06Å; K268-L273 HydrophobicContact CD-CD2 3.81Å; K268-E276 VanDerWaalsContact NZ-CD 3.3Å; K268-E276 IonicContact NZ-OE1 3.17Å; K268-E276 PolarHBondContact NZ-OE1 2.88Å; K268-E276 IonicContact NZ-OE2 2.77Å; K268-E276 PolarHBondContact NZ-OE2 3.48Å
269T81.5Confident75.5Confident75 Ų7599.7 Ų99.746%0.4652%0.521SS..  trans-91164.516776.80000110.8S271 D272 L273T269-S271 PolarHBondContact O-N 2.73Å; T269-S271 PolarHBondContact OG1-N 3.27Å; T269-D272 WeakPolarHBondContact CA-OD2 3.46Å; T269-D272 VanDerWaalsContact CB-OD2 3.25Å; T269-D272 WeakPolarHBondContact CB-OD2 3.38Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.48Å; T269-D272 PolarHBondContact N-OD2 3.27Å; T269-D272 PolarHBondContact O-N 3.03Å; T269-D272 PolarHBondContact OG1-N 3.01Å; T269-D272 PolarHBondContact OG1-OD2 3.33Å; T269-L273 PolarHBondContact O-N 2.94Å
270F81.3Confident75.2Confident24 Ų2498.8 Ų98.811%0.10552%0.518CS..Hα-helixtrans-62.8-33.4174.3-165.3-105.2000112.1L254 E255 Y258 L273 E274L254-F270 HydrophobicContact CB-CZ 4.43Å; L254-F270 HydrophobicContact CD2-CZ 4.43Å; L254-F270 HydrophobicContact CG-CE2 4.22Å; L254-F270 HydrophobicContact CG-CZ 4.25Å; E255-F270 HydrophobicContact CB-CD1 3.91Å; E255-F270 HydrophobicContact CB-CE1 3.56Å; E255-F270 HydrophobicContact CB-CE2 4.32Å; E255-F270 HydrophobicContact CB-CG 4.42Å; E255-F270 HydrophobicContact CB-CZ 3.78Å; E255-F270 HydrophobicContact CG-CD1 3.65Å; E255-F270 HydrophobicContact CG-CE1 3.85Å; E255-F270 HydrophobicContact CG-CG 4.08Å; E255-F270 HydrophobicContact CG-CZ 4.43Å; Y258-F270 HydrophobicContact CD1-CB 3.87Å; Y258-F270 AromaticContact CD1-CD2 3.66Å; Y258-F270 HydrophobicContact CD1-CD2 3.66Å; Y258-F270 HydrophobicContact CD1-CG 4.23Å; Y258-F270 HydrophobicContact CD2-CD2 4.32Å; Y258-F270 HydrophobicContact CE1-CB 4.12Å; Y258-F270 HydrophobicContact CE1-CD2 4.37Å; Y258-F270 AromaticContact CG-CD2 3.61Å; Y258-F270 HydrophobicContact CG-CD2 3.61Å; Y258-F270 HydrophobicContact CG-CE2 4.27Å; F270-L273 PolarHBondContact O-N 2.82Å; F270-E274 HydrophobicContact CD1-CG 4.26Å; F270-E274 VanDerWaalsContact CD1-OE1 3.24Å; F270-E274 WeakPolarHBondContact CD1-OE1 3.37Å; F270-E274 HydrophobicContact CE1-CG 4.22Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.45Å; F270-E274 WeakPolarHBondContact O-CG 3.5Å; F270-E274 PolarHBondContact O-N 3.14Å
271S80.4Confident74.6Confident82 Ų8298.2 Ų98.257%0.57351%0.511SS*.Hα-helixtrans-66.8-35.2177.5-56.70000112.8T269 L273 E274 Q275T269-S271 PolarHBondContact O-N 2.73Å; T269-S271 PolarHBondContact OG1-N 3.27Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 2.99Å; S271-E274 PolarHBondContact O-N 3.16Å; S271-Q275 PolarHBondContact O-N 3.07Å
272D81.7Confident74Confident77 Ų7796.4 Ų96.441%0.41250%0.498SS..Hα-helixtrans-65.3-38.2175.5-53.6-53.9000110.9T269 Q275 E276T269-D272 WeakPolarHBondContact CA-OD2 3.46Å; T269-D272 VanDerWaalsContact CB-OD2 3.25Å; T269-D272 WeakPolarHBondContact CB-OD2 3.38Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.48Å; T269-D272 PolarHBondContact N-OD2 3.27Å; T269-D272 PolarHBondContact O-N 3.03Å; T269-D272 PolarHBondContact OG1-N 3.01Å; T269-D272 PolarHBondContact OG1-OD2 3.33Å; D272-Q275 PolarHBondContact O-N 3.32Å; D272-E276 WeakPolarHBondContact O-CB 3.3Å; D272-E276 PolarHBondContact O-N 2.85Å
273L80.3Confident73.9Confident53 Ų53100.7 Ų100.728%0.27751%0.512SS..Hα-helixtrans-69.7-34.1175.8-64.1175.4000112.4Y258 K268 T269 F270 S271 V277Y258-L273 HydrophobicContact CD2-CD1 4.19Å; Y258-L273 HydrophobicContact CE1-CD1 4.44Å; Y258-L273 HydrophobicContact CE2-CD1 3.45Å; Y258-L273 VanDerWaalsContact CE2-CD1 3.45Å; K268-L273 HydrophobicContact CD-CD2 3.81Å; T269-L273 PolarHBondContact O-N 2.94Å; F270-L273 PolarHBondContact O-N 2.82Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 2.99Å; L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 2.97Å; L273-V277 VanDerWaalsContact O-N 3.08Å
274E79.5Confident73.6Confident70 Ų70100.4 Ų100.433%0.32750%0.504SS..Hα-helixtrans-63-45.6171.3-71.3-176.9-160.600111.6K251 F270 S271 V277 E278K251-E274 WeakPolarHBondContact CE-OE1 3.33Å; K251-E274 WeakPolarHBondContact CE-OE2 3.49Å; K251-E274 IonicContact NZ-OE1 2.72Å; K251-E274 PolarHBondContact NZ-OE1 3.44Å; K251-E274 IonicContact NZ-OE2 3.52Å; K251-E274 PolarHBondContact NZ-OE2 3.17Å; F270-E274 HydrophobicContact CD1-CG 4.26Å; F270-E274 VanDerWaalsContact CD1-OE1 3.24Å; F270-E274 WeakPolarHBondContact CD1-OE1 3.37Å; F270-E274 HydrophobicContact CE1-CG 4.22Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.45Å; F270-E274 WeakPolarHBondContact O-CG 3.5Å; F270-E274 PolarHBondContact O-N 3.14Å; S271-E274 PolarHBondContact O-N 3.16Å; E274-V277 PolarHBondContact O-N 3.5Å; E274-E278 WeakPolarHBondContact O-CB 3.46Å; E274-E278 PolarHBondContact O-N 3.42Å
275Q80.8Confident73.5Confident120 Ų12099.4 Ų99.456%0.56149%0.494SS*.Hα-helixtrans-64.6-42.3176.5-175.3179.5-35.200111.7S271 D272 V277 E278 E279S271-Q275 PolarHBondContact O-N 3.07Å; D272-Q275 PolarHBondContact O-N 3.32Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; Q275-V277 PolarHBondContact O-N 3.06Å; Q275-E278 PolarHBondContact O-N 3.1Å; Q275-E279 HydrophobicContact CG-CG 4.39Å; Q275-E279 PolarHBondContact NE2-OE1 3.38Å; Q275-E279 WeakPolarHBondContact O-CB 3.35Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.34Å
276E84.3Confident73Confident97 Ų9796.8 Ų96.845%0.45349%0.486SS..Hα-helixtrans-61.5-38.8178.8-170.9170-163.200111.9K268 D272 E280K268-E276 VanDerWaalsContact NZ-CD 3.3Å; K268-E276 IonicContact NZ-OE1 3.17Å; K268-E276 PolarHBondContact NZ-OE1 2.88Å; K268-E276 IonicContact NZ-OE2 2.77Å; K268-E276 PolarHBondContact NZ-OE2 3.48Å; D272-E276 WeakPolarHBondContact O-CB 3.3Å; D272-E276 PolarHBondContact O-N 2.85Å; E276-E280 WeakPolarHBondContact O-CB 3.39Å; E276-E280 PolarHBondContact O-N 3.35Å
277V82.3Confident72.5Confident96 Ų9692.6 Ų92.658%0.58247%0.469SS*.Hα-helixtrans-71.2-41.5174.7169.80000112.2L273 E274 Q275 E280 S281L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 2.97Å; L273-V277 VanDerWaalsContact O-N 3.08Å; E274-V277 PolarHBondContact O-N 3.5Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; Q275-V277 PolarHBondContact O-N 3.06Å; V277-E280 PolarHBondContact O-N 2.64Å; V277-S281 PolarHBondContact O-N 2.9Å
278E77.6Confident71.8Confident102 Ų10287.5 Ų87.548%0.47745%0.454SS..Hα-helixtrans-62.4-46.7176.7-178.556.8-141.100110.6E274 Q275 E280 S281 Q282E274-E278 WeakPolarHBondContact O-CB 3.46Å; E274-E278 PolarHBondContact O-N 3.42Å; Q275-E278 PolarHBondContact O-N 3.1Å; E278-E280 PolarHBondContact O-N 2.92Å; E278-S281 WeakPolarHBondContact O-CB 3.06Å; E278-S281 PolarHBondContact O-N 3.18Å; E278-S281 VanDerWaalsContact O-N 3.15Å; E278-S281 PolarHBondContact O-OG 3.21Å; E278-Q282 WeakPolarHBondContact O-CG 3.31Å; E278-Q282 PolarHBondContact O-N 3.43Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å
279E79.5Confident70.3Confident75 Ų7588.7 Ų88.735%0.3546%0.464SS..Hα-helixtrans-61.6-37.7173.5-78.8-169.6-143.900113.1Q275 S281 Q282 K283Q275-E279 HydrophobicContact CG-CG 4.39Å; Q275-E279 PolarHBondContact NE2-OE1 3.38Å; Q275-E279 WeakPolarHBondContact O-CB 3.35Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.34Å; E279-S281 VanDerWaalsContact C-N 3.33Å; E279-Q282 PolarHBondContact O-N 2.84Å; E279-K283 WeakPolarHBondContact O-CB 3.22Å; E279-K283 WeakPolarHBondContact O-CD 3.35Å; E279-K283 VanDerWaalsContact O-CG 3.23Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 3.01Å; E279-K283 IonicContact OE2-NZ 2.99Å; E279-K283 PolarHBondContact OE2-NZ 2.72Å
280E76.9Confident68.3Low94 Ų9490.5 Ų90.544%0.43947%0.467SS..Hα-helixtrans-64.8-39.8174.2-149.8-140.6140.300111.1E276 V277 E278 K283 R284E276-E280 WeakPolarHBondContact O-CB 3.39Å; E276-E280 PolarHBondContact O-N 3.35Å; V277-E280 PolarHBondContact O-N 2.64Å; E278-E280 PolarHBondContact O-N 2.92Å; E280-K283 PolarHBondContact O-N 2.83Å; E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.46Å; E280-R284 IonicContact OE1-CZ 2.72Å; E280-R284 IonicContact OE1-NE 2.68Å; E280-R284 PolarHBondContact OE1-NE 3.19Å; E280-R284 IonicContact OE1-NH2 2.64Å; E280-R284 PolarHBondContact OE1-NH2 3.39Å; E280-R284 IonicContact OE2-NH2 3.16Å; E280-R284 PolarHBondContact OE2-NH2 3.02Å
281S67.9Low66.2Low48 Ų4899.5 Ų99.534%0.33650%0.501SS..Hα-helixtrans-63.2-44.517791.10000111.5V277 E278 E279 R284 V285V277-S281 PolarHBondContact O-N 2.9Å; E278-S281 WeakPolarHBondContact O-CB 3.06Å; E278-S281 PolarHBondContact O-N 3.18Å; E278-S281 VanDerWaalsContact O-N 3.15Å; E278-S281 PolarHBondContact O-OG 3.21Å; E279-S281 VanDerWaalsContact C-N 3.33Å; S281-R284 WeakPolarHBondContact O-CB 3.28Å; S281-R284 PolarHBondContact O-N 2.72Å; S281-V285 WeakPolarHBondContact O-CG2 3.35Å; S281-V285 PolarHBondContact O-N 3Å
282Q64.3Low64.1Low103 Ų103100 Ų10048%0.48150%0.503SS..Hα-helixtrans-66.3-40.4178.3-68176.617.600111.2E278 E279 R284 V285 C286E278-Q282 WeakPolarHBondContact O-CG 3.31Å; E278-Q282 PolarHBondContact O-N 3.43Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å; E279-Q282 PolarHBondContact O-N 2.84Å; Q282-R284 VanDerWaalsContact C-N 3.33Å; Q282-R284 PolarHBondContact O-N 2.75Å; Q282-V285 PolarHBondContact O-N 3.34Å; Q282-V285 VanDerWaalsContact O-N 3.13Å; Q282-C286 PolarHBondContact O-N 2.83Å; Q282-C286 PolarHBondContact O-SG 2.89Å
283K71.1Confident62.1Low116 Ų116100.4 Ų100.450%0.50451%0.508SS..Hα-helixtrans-59.8-40.1172.4-73.3159.8-168.8151.10111.9E279 E280 C286 L287E279-K283 WeakPolarHBondContact O-CB 3.22Å; E279-K283 WeakPolarHBondContact O-CD 3.35Å; E279-K283 VanDerWaalsContact O-CG 3.23Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 3.01Å; E279-K283 IonicContact OE2-NZ 2.99Å; E279-K283 PolarHBondContact OE2-NZ 2.72Å; E280-K283 PolarHBondContact O-N 2.83Å; K283-C286 PolarHBondContact O-N 2.77Å; K283-L287 WeakPolarHBondContact O-CB 3.41Å; K283-L287 WeakPolarHBondContact O-CG 3.26Å; K283-L287 PolarHBondContact O-N 3.36Å
284R57.1Low59.9Low152 Ų152104 Ų10457%0.57453%0.528SS*.Hα-helixtrans-65.2-35.1173.8-69.7173.7-176.9-158.610.7112.8E280 S281 Q282 S288E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.46Å; E280-R284 IonicContact OE1-CZ 2.72Å; E280-R284 IonicContact OE1-NE 2.68Å; E280-R284 PolarHBondContact OE1-NE 3.19Å; E280-R284 IonicContact OE1-NH2 2.64Å; E280-R284 PolarHBondContact OE1-NH2 3.39Å; E280-R284 IonicContact OE2-NH2 3.16Å; E280-R284 PolarHBondContact OE2-NH2 3.02Å; S281-R284 WeakPolarHBondContact O-CB 3.28Å; S281-R284 PolarHBondContact O-N 2.72Å; Q282-R284 VanDerWaalsContact C-N 3.33Å; Q282-R284 PolarHBondContact O-N 2.75Å; R284-S288 PolarHBondContact O-N 3.45Å; R284-S288 PolarHBondContact O-OG 3.39Å
285V55.9Low57.9Low100 Ų100105.8 Ų105.861%0.60655%0.548SS*.Hα-helixtrans-70-45.1174.7174.30000111.3S281 Q282 S288 L289S281-V285 WeakPolarHBondContact O-CG2 3.35Å; S281-V285 PolarHBondContact O-N 3Å; Q282-V285 PolarHBondContact O-N 3.34Å; Q282-V285 VanDerWaalsContact O-N 3.13Å; V285-S288 WeakPolarHBondContact O-CB 3.46Å; V285-S288 PolarHBondContact O-N 3.37Å; V285-S288 VanDerWaalsContact O-N 3.11Å; V285-L289 PolarHBondContact O-N 3.45Å
286C52.9Low55.9Low71 Ų71106 Ų10648%0.4856%0.557SS.*Hα-helixtrans-59.4-47.9176.2-69.40000112.5Q282 K283 S288 L289 E290Q282-C286 PolarHBondContact O-N 2.83Å; Q282-C286 PolarHBondContact O-SG 2.89Å; K283-C286 PolarHBondContact O-N 2.77Å; C286-S288 PolarHBondContact O-N 3.12Å; C286-L289 WeakPolarHBondContact O-CA 3.45Å; C286-L289 WeakPolarHBondContact O-CB 3.31Å; C286-L289 PolarHBondContact O-N 3.13Å; C286-E290 PolarHBondContact O-N 3.23Å
287L50.2Low53.4Low107 Ų107112.8 Ų112.856%0.5658%0.579SS**Hα-helixtrans-61.8-24.4176.2-72.1168.5000113.3K283K283-L287 WeakPolarHBondContact O-CB 3.41Å; K283-L287 WeakPolarHBondContact O-CG 3.26Å; K283-L287 PolarHBondContact O-N 3.36Å
288S47.1Very low51Low78 Ų78111.6 Ų111.655%0.54559%0.586SS.*Hα-helixtrans-79-29.8173.4-57.80000112.2R284 V285 C286R284-S288 PolarHBondContact O-N 3.45Å; R284-S288 PolarHBondContact O-OG 3.39Å; V285-S288 WeakPolarHBondContact O-CB 3.46Å; V285-S288 PolarHBondContact O-N 3.37Å; V285-S288 VanDerWaalsContact O-N 3.11Å; C286-S288 PolarHBondContact O-N 3.12Å
289L44.2Very low48.8Very low123 Ų123110.9 Ų110.964%0.64460%0.597SS**Hα-helixtrans-80-40.3178.6-166.166.8000112.3V285 C286 R291 C292 T293V285-L289 PolarHBondContact O-N 3.45Å; C286-L289 WeakPolarHBondContact O-CA 3.45Å; C286-L289 WeakPolarHBondContact O-CB 3.31Å; C286-L289 PolarHBondContact O-N 3.13Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.12Å; L289-C292 WeakPolarHBondContact O-CA 3.09Å; L289-C292 WeakPolarHBondContact O-CB 3.41Å; L289-C292 PolarHBondContact O-N 2.97Å; L289-T293 PolarHBondContact O-N 3.46Å
290E39.6Very low46.4Very low112 Ų112114.2 Ų114.252%0.52362%0.623SS.*Hα-helixtrans-60.9-39.3176.2-69.9178.1141.700111.7C286 C292 T293 D294C286-E290 PolarHBondContact O-N 3.23Å; E290-C292 PolarHBondContact O-N 3.42Å; E290-C292 VanDerWaalsContact O-N 3.15Å; E290-T293 WeakPolarHBondContact CA-OG1 3.38Å; E290-T293 PolarHBondContact O-N 2.89Å; E290-T293 PolarHBondContact O-OG1 2.89Å; E290-D294 PolarHBondContact O-N 3.19Å
291R37.8Very low44.2Very low214 Ų214118.4 Ų118.481%0.80864%0.642SS**Hα-helixtrans-59.1-22.9171.5-85.2-175.2171.4179-0.2114.3L289L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.12Å
292C36.2Very low42.1Very low91 Ų91123.9 Ų123.962%0.61567%0.668SS**Hα-helixtrans-87.7-21.9175.5-72.90000113.1L289 E290L289-C292 WeakPolarHBondContact O-CA 3.09Å; L289-C292 WeakPolarHBondContact O-CB 3.41Å; L289-C292 PolarHBondContact O-N 2.97Å; E290-C292 PolarHBondContact O-N 3.42Å; E290-C292 VanDerWaalsContact O-N 3.15Å
293T39.1Very low40.4Very low86 Ų86124 Ų12453%0.52868%0.68SS.*Hα-helixtrans-83.9-33.1179.446.40000113.8L289 E290 S295 V296L289-T293 PolarHBondContact O-N 3.46Å; E290-T293 WeakPolarHBondContact CA-OG1 3.38Å; E290-T293 PolarHBondContact O-N 2.89Å; E290-T293 PolarHBondContact O-OG1 2.89Å; T293-S295 PolarHBondContact O-N 3Å; T293-V296 PolarHBondContact O-N 3.4Å
294D34.1Very low38.3Very low129 Ų129127.2 Ų127.269%0.6970%0.697SS**THydrogen-bonded Turntrans-70.1-17.6-175-76.6-16.3000114.4E290 V296E290-D294 PolarHBondContact O-N 3.19Å; D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 3.27Å
295S36.4Very low36.9Very low108 Ų108128.1 Ų128.176%0.75571%0.708SS**THydrogen-bonded Turntrans-72.6-16.2176.2-159.50000113.6T293T293-S295 PolarHBondContact O-N 3Å
296V39.4Very low35.5Very low124 Ų124131.3 Ų131.375%0.75272%0.716SS**SBendtrans-97.6-15.8-172.5-175.70000113T293 D294 G298T293-V296 PolarHBondContact O-N 3.4Å; D294-V296 VanDerWaalsContact C-N 3.26Å; D294-V296 PolarHBondContact O-N 3.27Å; V296-G298 VanDerWaalsContact C-N 3.28Å; V296-G298 PolarHBondContact O-N 3.3Å
297R31Very low34.3Very low240 Ų240132 Ų13291%0.90673%0.727SS**THydrogen-bonded Turntrans-91.244.1-179.4-163.9163.8-72.6-103.3-1.7113
298G31.9Very low33.2Very low71 Ų71133.7 Ų133.773%0.73274%0.736SS**THydrogen-bonded Turntrans-129.6-1.5-17000000117.9V296V296-G298 VanDerWaalsContact C-N 3.28Å; V296-G298 PolarHBondContact O-N 3.3Å
299A32.8Very low32.2Very low87 Ų87138.7 Ų138.772%0.71975%0.748SS**  trans-155.676.4-173.600000115.6
300T29.3Very low31.5Very low145 Ų145139.4 Ų139.489%0.8975%0.748SS**  trans-165.8103.7155-2.60000112.8
301Q29.5Very low31Very low181 Ų181144 Ų14485%0.84676%0.761SS**  trans-163.5147.8157.1-115.4174.918.700110.3
302N24.2Very low30.6Very low163 Ų163142.8 Ų142.887%0.87276%0.761SS**  trans66129.5-169.1-46-28.7000112.7
303S27.7Very low30.3Very low106 Ų106143.4 Ų143.474%0.74177%0.766SS**  cis-144.4172.51.1-153.30000106.7
304E27.8Very low29.9Very low183 Ų183145.2 Ų145.286%0.85578%0.777SS**  cis-149.8-17335.1-64.8-177.6128.200112.7
305Q27.3Very low29.9Very low171 Ų171144.5 Ų144.580%0.79978%0.782SS**  trans-75.6178.7172.7-60.5153.8-104.600110.2
306E27Very low30.5Very low167 Ų167144.6 Ų144.678%0.7878%0.781SS**  cis-163.817522.6-160.7160.8-147.700110.6
307A28.6Very low29.9Very low85 Ų85145.5 Ų145.570%0.70278%0.778SS**  trans68.7149.7166.300000117.8
308L26.4Very low30.1Very low143 Ų143141.9 Ų141.975%0.74977%0.772SS**  cis-156.8126-8.2-146.6111000111.3
309F26.6Very low30Very low183 Ų183142.8 Ų142.880%0.80377%0.772SS**  trans77.8138.8147.4-86.9-131.7000125.7
310Q29.5Very low30.3Very low138 Ų138148 Ų14865%0.64578%0.779SS**  trans81.893.7149.1-67.4-148.192.800124.9
311R29.3Very low31.1Very low210 Ų210146.8 Ų146.879%0.79277%0.773SS**  75.2147.3114-86.6-174.4175.9138.6-9.2122.8
312K28.7Very low31.2Very low187 Ų187142.1 Ų142.181%0.81377%0.766SS**  trans76.5106.3166.3-70.6179.5-179.4-176.20114.5
313S30.4Very low31.6Very low104 Ų104142.2 Ų142.273%0.72777%0.766SS**  87.2140.274.474.20000111.9
314V29.1Very low31.8Very low125 Ų125145.2 Ų145.276%0.75877%0.769SS**  cis-145.6156.417.7174.20000109.2
315S34.9Very low31.8Very low114 Ų114144.1 Ų144.180%0.79777%0.766SS**  trans-110.6140.1160.4-54.80000110.7
316P49.8Very low32Very low110 Ų110142.1 Ų142.171%0.71477%0.765SS**  -140.5-176.9113.541.5-28.8000111.6
317M26.1Very low32.2Very low143 Ų143142.3 Ų142.370%0.70477%0.766SS**  cis-149.2165.39-155.492.2179.500110.6
318E35Very low32.2Very low164 Ų164145.1 Ų145.177%0.76678%0.775SS**  trans7.6152.1145.4-72.2165.1177.500122.1
319A30.5Very low32.2Very low90 Ų90142 Ų14274%0.74478%0.777SS**  cis-164.1170.3-4.100000112.4
320F37.8Very low32.2Very low195 Ų195137.4 Ų137.486%0.85578%0.781SS**  trans-100.3154.8163.6-90-90000110.4
321P46.3Very low32.1Very low120 Ų120134.9 Ų134.978%0.77979%0.793SS**  -128.8152.693.937.4-29.6000112
322A31.6Very low32Very low83 Ų83135.5 Ų135.569%0.68680%0.795SS**  cis80.9101.726.900000115.2
323D33.9Very low32Very low165 Ų165134.7 Ų134.788%0.88279%0.794SS**  trans-152.2163.4147.8-137.6-25.6000111.5
324Q31.9Very low31.8Very low170 Ų170134 Ų13479%0.79480%0.795SS**  trans-114.3173.1-176.7-58.8-173.68.300110.7
325M28Very low31.7Very low160 Ų160132.8 Ų132.879%0.78880%0.798SS**  170.4162.963.3-162.5177.8-170.500112.3
326T30.9Very low31.3Very low128 Ų128132.7 Ų132.779%0.78580%0.804SS**  trans82.1168.9154.19.60000121.2
327Q31.2Very low30.2Very low171 Ų171131.2 Ų131.280%0.79981%0.808SS**  trans-134.9-175.6-157.3-55.7-179.6-0.800112.8
328T29Very low30.3Very low144 Ų144129.8 Ų129.888%0.88381%0.812SS**  trans73.4150.2171.171.40000116.4
329G25.4Very low30Very low78 Ų78129.6 Ų129.680%0.80482%0.816SS**  cis166.6109.2-11.900000115.4
330G27.1Very low30Very low86 Ų86130.3 Ų130.389%0.88782%0.815SS**  trans87.5166166.200000117.1
331G26.1Very low29.8Very low86 Ų86131.3 Ų131.389%0.88782%0.82SS**  trans120.3125.417200000115.4
332R28.2Very low29Very low222 Ų222131 Ų13184%0.83882%0.815SS**  trans-89.9154-178.6-71.2175.6169.3179-2.8113.1
333Q27.8Very low29Very low171 Ų171135 Ų13580%0.79983%0.825SS**  trans67.2143.5144-78.3166.3-41.700117.7
334A27.5Very low28.7Very low90 Ų90137.5 Ų137.574%0.74482%0.823SS**  cis-161.4-179.2-1.500000112.3
335A26.3Very low28.7Very low99 Ų99135.9 Ų135.982%0.81883%0.825SS**  trans96.6139.8153.100000121.1
336A26.9Very low28.8Very low111 Ų111135.5 Ų135.592%0.91783%0.831SS**  trans68.4133.616400000120
337G27.2Very low28.6Very low79 Ų79133.1 Ų133.181%0.81482%0.824SS**  trans138.786.3163.900000117.4
338S27.7Very low28.6Very low113 Ų113135.6 Ų135.679%0.7983%0.826SS**  trans-43158.5155.4-67.80000114.5
339L28.6Very low28.5Very low161 Ų161138.4 Ų138.484%0.84383%0.827SS**  cis-162.2124.5-1-114.8164.1000108.3
340S30.2Very low28.8Very low104 Ų104140.6 Ų140.673%0.72782%0.824SS**  trans-104.3115.217855.30000112.4T342S340-T342 PolarHBondContact O-N 2.85Å
341K34.4Very low29.2Very low217 Ų217142.4 Ų142.494%0.94382%0.818SS**  trans-78.595.6172.8-76.1-177.5176.7176.80110.9
342T29.4Very low29.5Very low112 Ų112146.2 Ų146.269%0.68781%0.813SS**  trans-90.6141.5170-520000110.7S340S340-T342 PolarHBondContact O-N 2.85Å
343L31Very low30Very low169 Ų169141.8 Ų141.889%0.88581%0.812SS**  trans-65.9141.2-177.9-64159.4000111.9
344Y28.9Very low30Very low217 Ų217140.5 Ų140.585%0.85181%0.811SS**  trans-120.1125.4172.8-93.7-86000112.2
345T31.3Very low30.3Very low135 Ų135142.1 Ų142.183%0.82882%0.817SS**  trans-77.6127.8174.9-51.20000110.4A347T345-A347 PolarHBondContact O-N 3.24Å
346V28.8Very low30.8Very low152 Ų152145.6 Ų145.692%0.92182%0.816SS**  trans-88.3100.9176-178.80000110.3
347A28.1Very low31.5Very low78 Ų78145.6 Ų145.665%0.64581%0.807SS**  trans-144.4137.2165.200000110.2T345T345-A347 PolarHBondContact O-N 3.24Å
348R30.4Very low31.5Very low223 Ų223147.9 Ų147.984%0.84281%0.81SS**  trans68.2120.3-174-50.6-171.770.9-173.80.2116.3
349F28.3Very low31.8Very low204 Ų204147.1 Ų147.190%0.89581%0.805SS**  -138145.3122.6-103.3-77.5000109
350V30.8Very low31.8Very low124 Ų124149.3 Ų149.375%0.75281%0.811SS**  trans-143.9113.6170.4172.80000106.3
351V34.7Very low31.6Very low124 Ų124149.7 Ų149.775%0.75281%0.812SS**  trans-149.8145161.9-175.30000106.4
352E32.7Very low31.3Very low166 Ų166145.2 Ų145.278%0.77680%0.803SS**  trans-78.2178.4178.6-64.4132.6139.300112.9
353P39.3Very low31.2Very low128 Ų128145.7 Ų145.783%0.83181%0.807SS**  trans-125.9133.4130.635.3-29.2000113
354D28.6Very low31Very low144 Ų144141.9 Ų141.977%0.7780%0.799SS**  trans-71.1142.2168.4-99.3-49.2000112.4
355S33.9Very low31Very low124 Ų124137.4 Ų137.487%0.86780%0.795SS**  trans-173.1131.3131.8-81.60000111.7
356Q36.3Very low31Very low173 Ų173138.8 Ų138.881%0.80879%0.792SS**  trans-98.8-170.3-178.9-57.8-174-30.800111.4
357P41.6Very low31Very low110 Ų110138 Ų13871%0.71478%0.782SS**  cis-124.9174.1-48.424.9-6.7000111.8
358S27.7Very low31.2Very low127 Ų127141 Ų14189%0.88879%0.787SS**  trans-145128.8145.4-172.50000110
359S33.5Very low31.2Very low98 Ų98138.5 Ų138.569%0.68579%0.785SS**  trans-129.2135.8-179.2-56.40000110.2
360Q29.1Very low31.3Very low206 Ų206136.1 Ų136.196%0.96379%0.786SS**  trans-156.2159.2147.6-118.8157.784.300111.1
361C24.9Very low31.1Very low112 Ų112137.6 Ų137.676%0.75779%0.785SS**  trans-143.6141.8-162176.10000110.8
362T28Very low30.7Very low123 Ų123136.9 Ų136.976%0.75578%0.781SS**  trans-157.3117.7160.336.40000106
363T27.7Very low30.5Very low123 Ų123138.8 Ų138.876%0.75578%0.781SS**  57.9130.973.567.10000113
364A26.7Very low29.9Very low89 Ų89137.9 Ų137.974%0.73677%0.774SS**  cis-141.6-158.9-0.200000108.2
365T29.1Very low29.9Very low122 Ų122137 Ų13775%0.74877%0.774SS**  cis-160.3178.221.4-21.80000111.1
366E31.6Very low29.5Very low164 Ų164138.9 Ų138.977%0.76677%0.774SS**  trans-53.4172.3166.7-62.4126.6156.100113.3
367D28.7Very low29Very low135 Ų135135.5 Ų135.572%0.72277%0.77SS**  cis-165.2162.931.5-146.9-7.5000116.4
368L31.8Very low29Very low143 Ų143135.1 Ų135.175%0.74977%0.767SS**  trans43.4158.7149-89.8164.2000126.4
369E30.1Very low28.8Very low170 Ų170137.4 Ų137.479%0.79476%0.764SS**  trans-89.6162.3175.1-49170.5126.100112.2
370V30.4Very low28.4Very low153 Ų153139.7 Ų139.793%0.92777%0.765SS**  trans-172.6159.4135.5134.50000113.3
371E27.3Very low28.6Very low155 Ų155135.5 Ų135.572%0.72476%0.756SS**  trans-93.4-179.8-171.5-159.2-168.7141.500114.1
372T26.6Very low28.8Very low109 Ų109134.7 Ų134.767%0.66975%0.752SS**  trans105.397.4154.771.20000121.2
373R28Very low29.3Very low207 Ų207134.3 Ų134.378%0.78175%0.751SS**  54.4138.8114.1-151.4-168.5-89.2128.60.9122.3
374T27.3Very low29.2Very low109 Ų109132.7 Ų132.767%0.66975%0.745SS**  trans82.3105.6149.721.10000121.2
375T27.9Very low29.3Very low126 Ų126135.6 Ų135.677%0.77375%0.748SS**  34.9130.1128.458.40000121.8
376D25.4Very low29.2Very low163 Ų163138.4 Ų138.487%0.87275%0.752SS**  -154177.3106-139.2-31.1000112.9
377S25.4Very low29Very low102 Ų102138.2 Ų138.271%0.71375%0.751SS**  trans-102.6-169.6174.7-128.80000110.4
378P41Very low28.9Very low101 Ų101139.2 Ų139.266%0.65676%0.756SS**  cis-147.3-172.825.744.3-22.4000118.7
379Q24.8Very low28.7Very low176 Ų176136.5 Ų136.582%0.82275%0.749SS**  trans84.5117.8145.2-90.3174.9-93.400123.7
380M23.7Very low28.5Very low145 Ų145133.8 Ų133.871%0.71475%0.745SS**  trans-66.6154.1144.1-78.7-70.4-67.800110.5
381P33.4Very low28.4Very low119 Ų119133.5 Ų133.577%0.77374%0.737SS**  -147171.571.439.9-20.8000117.8
382S30.4Very low28.5Very low95 Ų95133.3 Ų133.366%0.66474%0.736SS**  trans-109.8159.5159.5-42.10000108.8
383P38Very low28.4Very low115 Ų115137.7 Ų137.775%0.74775%0.746SS**  -157.6163.495.841.4-22.7000118.8
384S26.2Very low28.5Very low88 Ų88131.7 Ų131.762%0.61574%0.736SS**  trans59.4115.3138.565.50000124.7
385N27.6Very low28.5Very low151 Ų151133 Ų13381%0.80774%0.739SS**  72.3118.5120.4-56.9-0.9000123.1
386Q27.3Very low28.7Very low180 Ų180131.5 Ų131.584%0.84173%0.734SS**  157.4159125.5-88.7178.9-14.700109.8
387E26.8Very low29.1Very low160 Ų160129.9 Ų129.975%0.74872%0.721SS**  cis-167.5-177-44.5-141.6177.6159.200107.4
388L28.3Very low29.3Very low156 Ų156134.5 Ų134.582%0.81772%0.723SS**  trans73.8147172.6-48.6171.8000117.3
389S27.3Very low28.8Very low87 Ų87137.2 Ų137.261%0.60873%0.727SS**  cis-169.6144.6-18.9-104.40000114
390T26Very low29Very low113 Ų113136.5 Ų136.569%0.69372%0.723SS**  trans57.9147.6144.960.40000121
391L27.8Very low29.2Very low146 Ų146134.7 Ų134.776%0.76473%0.725SS**  cis-132158.43.7-64.6166.2000109.3
392Q29.5Very low29Very low152 Ų152140 Ų14071%0.7173%0.729SS**  cis93.596.26.1-165.8-177.8-8.900118.7
393F24.2Very low29.3Very low200 Ų200141.1 Ų141.188%0.87773%0.734SS**  trans-169.1143.9149-105.9-78.8000110.5
394S29.7Very low28.8Very low82 Ų82147.6 Ų147.657%0.57374%0.744SS**  cis-157.4138.7-41.6-85.20000106.8
395N28.8Very low29Very low135 Ų135154.6 Ų154.672%0.72276%0.757SS**  52.8142.282.9-76.79.3000114.9
396S30.6Very low29.1Very low96 Ų96157.1 Ų157.167%0.67176%0.76SS**  cis-146.2143.137.2-55.80000113.4
397E33.4Very low29.4Very low129 Ų129156.3 Ų156.360%0.60376%0.761SS**  70.2157.496.3-55.6-173.8164.100116.5
398R30.4Very low30.4Very low198 Ų198153.6 Ų153.675%0.74776%0.757SS**  cis-145.9153.817.2-160.7166.4-78.2-175.8-6.4115
399E30Very low30.6Very low159 Ų159157.7 Ų157.774%0.74376%0.762SS**  trans-64.3165.4-179.7-53.2167.298.700114.9
400H30.2Very low30.6Very low161 Ų161166 Ų16675%0.74578%0.78SS**  -174.9158.593-93.775.7000110.1
401S26.5Very low30.7Very low107 Ų107163.7 Ų163.775%0.74878%0.779SS**  cis-161.4-150.2-5.3-169.60000110.9
402R30.9Very low30.9Very low230 Ų230161.9 Ų161.987%0.86878%0.778SS**  trans-134.5163.2178.7-82.1-179175.1-178.60.7109
403P36.7Very low31.1Very low118 Ų118162.1 Ų162.177%0.76679%0.785SS**  -162.5173.95644.4-21.4000122.3
404R26.4Very low31.5Very low251 Ų251158 Ų15895%0.94778%0.781SS**  trans76.9170.8146.4-89.7-177.4175.7-130.3-1.1121.6
405R30.4Very low31.7Very low236 Ų236158.1 Ų158.189%0.89179%0.786SS**  trans-121.9144.7-156.5-62.3168.7163.5132.5-9.4112.5
406K29.1Very low31.9Very low203 Ų203156.7 Ų156.788%0.88379%0.787SS**  169.2157.2124.6-95179.6179.7-172.70113.5
407L34.7Very low32.1Very low163 Ų163162.3 Ų162.385%0.85379%0.793SS**  trans-125.4173.6167.7-111.978.9000107.4
408P48.2Very low32Very low104 Ų104160.3 Ų160.368%0.67580%0.799SS**  cis-140.5-170.5-9.240.1-20.5000116.1
409R31Very low32.3Very low242 Ų242156.5 Ų156.591%0.91380%0.803SS**  trans73.6107.8146.4-85-177.9171-174.8-2.1123.7
410R27.8Very low32.3Very low261 Ų261155.2 Ų155.299%0.98581%0.806SS**  173.8153.2126-102.4-173.8172.4-146.8-0.1108.7
411G27.6Very low32.3Very low65 Ų65152.6 Ų152.667%0.6781%0.806SS**  cis179.4135-12.600000113.6
412S33.2Very low32.3Very low107 Ų107156 Ų15675%0.74881%0.808SS**  trans40.8123.814759.10000124.3
413N33.3Very low32.4Very low158 Ų158150.8 Ų150.885%0.84580%0.796SS**  trans61153.3137.4-59.2-0.2000119.8
414S32.1Very low32.1Very low114 Ų114154.1 Ų154.180%0.79780%0.801SS**  cis-176.9177.9-19.2680000107.1
415A34.9Very low32.2Very low84 Ų84148.2 Ų148.269%0.69480%0.797SS**  cis-165.3-173.81.500000109.5
416S31.9Very low32.3Very low105 Ų105142.1 Ų142.173%0.73479%0.79SS**  trans107.3120.1165.3-53.20000116.5
417R36.1Very low32.3Very low213 Ų213137.5 Ų137.580%0.80478%0.783SS**  77.5140.988.4-69.1172.1128-154.5-4.6115
418A30.1Very low32.3Very low87 Ų87137.2 Ų137.272%0.71978%0.783SS**  cis-167.3144.9-15.100000114
419S37.2Very low31.8Very low118 Ų118138.2 Ų138.283%0.82579%0.792SS**  trans35.1121.8139.9-49.80000125.5
420T29.8Very low32.3Very low132 Ų132136.2 Ų136.281%0.8179%0.793SS**  trans-157.3127138.730.40000106.1
421S30.2Very low32.4Very low106 Ų106127.6 Ų127.674%0.74179%0.785SS**  70.9146.561.573.20000115.6
422F27.7Very low32.8Very low180 Ų180132.9 Ų132.979%0.78979%0.793SS**  cis-180118.7-24.8-168.8-103.2000108.2
423I32.8Very low32.9Very low120 Ų120134.2 Ų134.262%0.61580%0.796SS**  trans60.2142.8154-60.2-168.7000121.7
424E28.8Very low33.8Very low188 Ų188132 Ų13288%0.87979%0.79SS**  trans80.2158.5157.7-88.8164.315900123.1
425C28.8Very low34.8Very low127 Ų127132.1 Ų132.186%0.85879%0.789SS**  trans-108.5153.7-167.1-49.80000111.7
426S32.9Very low34.6Very low108 Ų108133.9 Ų133.976%0.75580%0.796SS**  trans179.1140.4136.4-179.20000111.2
427S29Very low34.5Very low106 Ų106131.9 Ų131.974%0.74179%0.792SS**  136.5127.5127.8-68.20000113.7
428D35.1Very low34.5Very low157 Ų157131.5 Ų131.584%0.8480%0.796SS**  trans-74164.9174.2-53.6-75.6000112.5
429S37Very low34.6Very low124 Ų124136.8 Ų136.887%0.86780%0.803SS**  trans-155138.5154.7-76.50000109.6
430E42.2Very low34.3Very low201 Ų201139.1 Ų139.194%0.93980%0.801SS**  trans-88.7170.3-170.2-57.4-151127.900114.5
431G30.8Very low34.5Very low79 Ų79139.5 Ų139.581%0.81480%0.797SS**  trans-171.882.9173.600000113.2
432E35.8Very low34.3Very low177 Ų177142.2 Ų142.283%0.82780%0.798SS**  trans-74145.2169.7-76.1-150.2137.100112.5
433T34Very low34.6Very low135 Ų135141.2 Ų141.283%0.82880%0.796SS**  -172.5159.7107.623.10000113
434P53.4Low35.3Very low110 Ų110139.6 Ų139.671%0.71479%0.793SS**  trans-107-153.2-166.846-39000111.6
435P53.2Low35.4Very low118 Ų118137.2 Ų137.277%0.76679%0.786SS**  cis-141.2-168.8-2.941.7-21000117.6
436S29.6Very low35.5Very low121 Ų121138.8 Ų138.885%0.84678%0.781SS**  trans98.9133.7164.8-162.10000116.9
437G30.9Very low35.5Very low63 Ų63137.3 Ų137.365%0.64977%0.771SS**  cis161.7152.7-11.500000116
438K34.9Very low35.6Very low205 Ų205137.6 Ų137.689%0.89177%0.772SS**  trans76.8114.2162.2-51.4175.2179.9176.70120.6
439K32.5Very low35.5Very low198 Ų198134.8 Ų134.886%0.86177%0.765SS**  163.7151.7100.2-106.8-175.7174.1-171.20115.1
440E30.4Very low35.3Very low167 Ų167137.6 Ų137.678%0.7876%0.762SS**  trans-80.2-179.6165.1-46.6110.3105.100112.5
441L33.8Very low34.8Very low139 Ų139136.1 Ų136.173%0.72876%0.755SS**  cis-154.2177.810.5-155.364.2000106.1
442E27.4Very low34.9Very low163 Ų163136.7 Ų136.776%0.76275%0.752SS**  cis-133.5177.613.2-79.217982.800109.7
443Q33.2Very low34.6Very low160 Ų160135.3 Ų135.375%0.74875%0.751SS**  cis75.714632.9-89.3-160.689.800116.8
444P47.3Very low34.4Very low86 Ų86139.1 Ų139.156%0.55875%0.75SS**  cis-139-172.8-13.343.7-25.9000116.7
445N30.7Very low33.4Very low137 Ų137139.3 Ų139.373%0.73375%0.754SS**  trans71.5148.8159.2-65.74.1000119.3
446E30.6Very low32.3Very low160 Ų160143.1 Ų143.175%0.74875%0.753SS**  cis-170.2170.4-14-104.3-15481.100108
447S33.1Very low32.2Very low78 Ų78144 Ų14455%0.54574%0.743SS.*  cis-170.3169.3-30.462.60000111.2
448S32.1Very low32.1Very low111 Ų111145.4 Ų145.478%0.77675%0.749SS**  trans67156.1165.480.10000119.4
449S32.4Very low32Very low99 Ų99140.3 Ų140.369%0.69274%0.739SS**  cis-169.2151.8-33.158.30000111.7
450K34Very low32.1Very low182 Ų182138.4 Ų138.479%0.79173%0.733SS**  trans35.2147.3139.6-63.1177.3175.6-176.20121
451Q31.2Very low32.1Very low171 Ų171138.4 Ų138.480%0.79974%0.737SS**  cis-161.7-175.7-2.7-121.3173.1-85.300109.8
452A33Very low32.1Very low91 Ų91138.6 Ų138.675%0.75273%0.732SS**  trans-93.3170.117900000114.2
453D28.5Very low32.2Very low148 Ų148138.5 Ų138.579%0.79174%0.737SS**  -166-170.5115.8-135.3-52.1000113.9
454R30.1Very low32.2Very low215 Ų215137.3 Ų137.381%0.81173%0.731SS**  trans-100.6176.1-161-64153.1151.3178.7-7.3116.8
455S33Very low31.5Very low114 Ų114141.2 Ų141.280%0.79774%0.742SS**  trans103.1159.4145.7-48.70000117.6
456R29.9Very low31.6Very low198 Ų198141.5 Ų141.575%0.74774%0.739SS**  cis-177.9159.8-30.5-172.1-179152.6159.3-1.8109.2
457E27Very low31.7Very low138 Ų138137.1 Ų137.165%0.64573%0.73SS**  trans65.2140.4177.6-92.983.4-130.900115
458A27.9Very low31.5Very low94 Ų94140.8 Ų140.878%0.77774%0.738SS**  cis92.4147.849.800000112.5
459S33.8Very low31.4Very low98 Ų98140.4 Ų140.469%0.68573%0.731SS**  cis-164153.220.653.10000114.7
460E34Very low31.2Very low157 Ų157142.1 Ų142.173%0.73473%0.733SS**  trans63.6160.1150.2-69.7-171.8138.700119.1
461I31.9Very low30.9Very low167 Ų167139.5 Ų139.586%0.85673%0.732SS**  cis-128.5163.930.9-70.9171.8000114
462K33Very low30.8Very low144 Ų144135.4 Ų135.463%0.62672%0.722SS**  trans-77.6167.2-169.5-48.7165.9178.2176.80115.6
463D29.6Very low30.7Very low160 Ų160140.3 Ų140.386%0.85673%0.726SS**  -149.7157.3102.8-133.4-24.1000112.6
464E33.4Very low30.6Very low136 Ų136138.5 Ų138.564%0.63673%0.725SS**  trans-111.6160.7-179.5-69.6-177.978.300111
465Q31.9Very low31.3Very low167 Ų167132.9 Ų132.978%0.7872%0.717SS**  174161.880.6-77.11722500107.9
466Q32.8Very low31.1Very low143 Ų143136.1 Ų136.167%0.66872%0.716SS**  cis-155.1153.3-21.8-113.4176.7-100109.9
467A32.6Very low31.1Very low68 Ų68135.8 Ų135.856%0.56272%0.72SS**  trans6.9153.214200000120.9
468H30.4Very low31.4Very low156 Ų156140.5 Ų140.572%0.72273%0.732SS**  -156.5124.153.1-86.1-79.3000112.6
469T28.7Very low31.9Very low103 Ų103141.2 Ų141.263%0.63273%0.729SS**  58.1132.795.464.60000115.4
470N27.5Very low31.6Very low134 Ų134143.8 Ų143.872%0.71773%0.734SS**  cis-148.4155.920.2-88.3-44.3000110.1
471V29.7Very low31.4Very low127 Ų127144.3 Ų144.377%0.7773%0.734SS**  71.2124.450.91800000110.7
472S28.6Very low31Very low85 Ų85146.1 Ų146.159%0.59473%0.73SS**  cis-166.9169.725.137.20000116.9
473K29.5Very low30.6Very low195 Ų195146.2 Ų146.285%0.84874%0.736SS**  trans80.4113142.5-77152.6-168.3172.70122.7
474S26.4Very low30.5Very low109 Ų109143 Ų14376%0.76273%0.726SS**  trans-74.1-160.5159.359.10000113.6
475P46.2Very low30.3Very low98 Ų98145.7 Ų145.764%0.63674%0.736SS**  cis-133.7-179.5-31.828.7-8.7000113.9
476K27.8Very low30.1Very low181 Ų181142.6 Ų142.679%0.78773%0.732SS**  167.6142.8124.5-91.6155.8-173.1168.90117.8
477K31.1Very low29.9Very low192 Ų192140.9 Ų140.984%0.83574%0.736SS**  trans64.6133142.7-68.1-179.6176.9-171.60123.3
478R32Very low29.7Very low236 Ų236146.7 Ų146.789%0.89175%0.749SS**  trans-86.6171.9148.4-65.3178168.8176.1-4.7110.2
479P39.3Very low29.6Very low110 Ų110143.6 Ų143.671%0.71475%0.75SS**  -156.1149.897.138.1-19.6000118.6
480L28.3Very low29.4Very low152 Ų152144.9 Ų144.980%0.79676%0.762SS**  trans60.3162.1145.5-60.7170.7000118.5
481K28.3Very low29.5Very low167 Ų167146 Ų14673%0.72677%0.768SS**  cis-159.9170.70.4-115.9162.4176.3-175.90105.8
482W23.2Very low30.2Very low206 Ų206145.2 Ų145.278%0.7877%0.765SS**  cis175.4-169.8-23.3-177.336.8000109.2
483I25.4Very low30.2Very low145 Ų145146.8 Ų146.874%0.74478%0.777SS**  trans76.5147.7168.3-49.9176.5000117.3
484S27Very low30.3Very low92 Ų92143.1 Ų143.164%0.64378%0.775SS**  -175.3136.7-54.5-95.30000113.5
485K30.5Very low30.5Very low194 Ų194141.4 Ų141.484%0.84378%0.775SS**  trans36.3110.3148.5-67.5-173.8178.9179.40123.4
486S26.7Very low29.8Very low101 Ų101146 Ų14671%0.70679%0.788SS**  60129.4123.369.90000125.2
487S29.1Very low29.9Very low107 Ų107146.2 Ų146.275%0.74879%0.791SS**  trans75.1113.7133.268.10000122.4
488K27.9Very low30Very low190 Ų190143 Ų14383%0.82679%0.788SS**  -163.2168.8129.1-119.4-172.1176.4-164.40110.5
489A27.6Very low30Very low92 Ų92136.5 Ų136.576%0.7678%0.777SS**  trans-135.5147.9173.100000110.5
490C26.1Very low29.4Very low130 Ų130139.6 Ų139.688%0.87878%0.784SS**  trans178146.1149.7-94.30000109.4
491D28Very low29.6Very low156 Ų156137.7 Ų137.783%0.83478%0.783SS**  trans-78.9-171.5176-53.9-78000111.6
492P45.5Very low29.5Very low111 Ų111136.4 Ų136.472%0.72178%0.784SS**  cis-146.4-173.17.545.4-25.6000118.6
493S28.1Very low30.1Very low119 Ų119131.1 Ų131.183%0.83278%0.779SS**  trans74.8155.8157.976.40000118.6
494S32Very low30.4Very low117 Ų117128.7 Ų128.782%0.81878%0.775SS**  cis-131.7147.1-4.654.40000110.8
495G29.6Very low30.6Very low73 Ų73131.2 Ų131.275%0.75378%0.78SS**  118.2147.199.800000109.1
496E32.8Very low30.5Very low195 Ų195128.5 Ų128.591%0.91178%0.775SS**  cis-141.3152.51.7-58.7179.7130.200110
497H29.2Very low30.6Very low185 Ų185130 Ų13086%0.85678%0.781SS**  trans-149136.3157.5-164.7-71.3000108.5
498V32.8Very low30.6Very low126 Ų126130 Ų13076%0.76478%0.781SS**  trans-86.3153.6-172.9178.60000111.6
499C31.7Very low30.7Very low98 Ų98125.4 Ų125.466%0.66278%0.778SS**  trans-77.6-175.9-175.7-45.50000111.8
500M27.8Very low30.6Very low176 Ų176128.4 Ų128.487%0.86778%0.781SS**  cis-144.7157.527.1-75.2-70.8-179.600113.9
501S32.9Very low30.8Very low111 Ų111127.6 Ų127.678%0.77677%0.772SS**  trans-77.3-178.3158.7-48.80000109.9
502D25.8Very low30.8Very low140 Ų140125.4 Ų125.475%0.74977%0.769SS**  cis-176.3171.246.6-176.341.7000111.8
503S35.6Very low30.3Very low96 Ų96125.6 Ų125.667%0.67177%0.773SS**  trans59.5152.9156250000120.3
504S31.2Very low31Very low93 Ų93125.1 Ų125.165%0.6577%0.767SS**  cis-168.3146.5-8.8174.30000112.1
505L32.3Very low30.8Very low145 Ų145126.6 Ų126.676%0.75977%0.766SS**  trans63.9125.8154.8-72.8166.1000124.1
506D28.4Very low30.6Very low137 Ų137128 Ų12873%0.73377%0.77SS**  trans31135.1131.5-59.8-14.5000124.1
507T28.5Very low30.5Very low134 Ų134125.1 Ų125.182%0.82277%0.765SS**  146.5133.5124.1-57.70000113.5
508S29.3Very low31.2Very low107 Ų107120.8 Ų120.875%0.74875%0.753SS**  trans-44.5152.9-179.755.70000119.8
509A29.6Very low31Very low93 Ų93124.2 Ų124.277%0.76976%0.761SS**  160.1110.8109.600000115.7
510D25.9Very low30.8Very low155 Ų155128.2 Ų128.283%0.82977%0.767SS**  65.2158.9123.8-1446000124.3
511V29.2Very low30.9Very low112 Ų112125.1 Ų125.168%0.67976%0.763SS**  trans56.9103.6165.2-150.20000119.8
512S29.1Very low30.6Very low111 Ų111125 Ų12578%0.77676%0.763SS**  169.2133.8113.1-74.80000114.1
513S33.9Very low31.1Very low115 Ų115124.3 Ų124.380%0.80476%0.763SS**  trans-128.3162.9151.9-61.60000107.2
514P44.1Very low31.3Very low109 Ų109125.5 Ų125.571%0.70877%0.769SS**  -149.215597.235.7-17.8000117
515D26.3Very low31.2Very low148 Ų148129 Ų12979%0.79177%0.774SS**  trans45.3120.1140.5-55.9-35.7000123.4
516A26Very low31Very low102 Ų102131.9 Ų131.984%0.84378%0.781SS**  -152.2126.2111.300000112.4
517V30.7Very low31Very low134 Ų134132 Ų13281%0.81278%0.782SS**  trans-156167.8173.5-119.10000106.7
518P43.6Very low30.9Very low94 Ų94129.1 Ų129.161%0.6178%0.779SS**  cis-133.7-171.3-642.6-26.7000113.7
519Q29Very low31Very low199 Ų199131.6 Ų131.693%0.9378%0.778SS**  -152.8167.5129.2-86.3-121.7-41.700109.6
520K26.4Very low31Very low181 Ų181132.1 Ų132.179%0.78778%0.777SS**  trans-139.5164.5-162.3-67.7-177.5177.5178.60114
521S30.9Very low31.4Very low112 Ų112133.1 Ų133.178%0.78377%0.773SS**  trans77.4153.5155.284.60000116.5
522S27.4Very low31.9Very low109 Ų109132.2 Ų132.276%0.76276%0.764SS**  cis-141.9153.87.1-69.80000113.2
523T34.5Very low32Very low124 Ų124132.4 Ų132.476%0.76176%0.763SS**  trans-78.2171159.75.50000110.7
524P41.2Very low32.6Very low121 Ų121130.1 Ų130.179%0.78674%0.741SS**  cis-141.7-173.843.642.1-21.3000117.7
525H29.3Very low32.3Very low166 Ų166132.8 Ų132.877%0.76974%0.741SS**  trans-53159-178.6-67.2-113000115.3
526K28.3Very low33.3Very low207 Ų207129.1 Ų129.190%0.973%0.727SS**  trans-132.4115.2162.4-170.2177.4-174179.40109G528K526-G528 PolarHBondContact O-N 3.37Å
527D27.7Very low34.8Very low139 Ų139125.3 Ų125.374%0.74369%0.692SS**  trans-70.1118.2-172-61.2-64000112.7Q529D527-Q529 VanDerWaalsContact C-N 3.31Å; D527-Q529 PolarHBondContact O-N 3.29Å
528G27.1Very low36.4Very low74 Ų74119.4 Ų119.476%0.76366%0.656SS**  trans-78.575.4172.700000111.4K526 S530K526-G528 PolarHBondContact O-N 3.37Å; G528-S530 VanDerWaalsContact C-N 3.31Å; G528-S530 PolarHBondContact O-N 3.22Å
529Q31.6Very low37.1Very low158 Ų158121.7 Ų121.774%0.73865%0.652SS**  trans-63.890.1170.2-76.8-168.8-15.200110.7D527 K531D527-Q529 VanDerWaalsContact C-N 3.31Å; D527-Q529 PolarHBondContact O-N 3.29Å; Q529-K531 VanDerWaalsContact C-N 3.29Å; Q529-K531 PolarHBondContact O-N 3.19Å
530S27.7Very low37.7Very low105 Ų105113.1 Ų113.173%0.73462%0.617SS**  trans-70.284.8169.945.20000109.8G528 I532G528-S530 VanDerWaalsContact C-N 3.31Å; G528-S530 PolarHBondContact O-N 3.22Å; S530-I532 VanDerWaalsContact C-N 3.34Å; S530-I532 PolarHBondContact O-N 3.21Å
531K34.3Very low38Very low175 Ų175111.5 Ų111.576%0.76161%0.612SS**  trans-6193.9173.2-66.8-171178.6-172.20109.9Q529 P533Q529-K531 VanDerWaalsContact C-N 3.29Å; Q529-K531 PolarHBondContact O-N 3.19Å; K531-P533 VanDerWaalsContact O-CD 3.28Å; K531-P533 WeakPolarHBondContact O-CD 3.49Å
532I40.8Very low38Very low94 Ų94115.7 Ų115.748%0.48262%0.616SS.*  trans-58.8120.9172.4-58.7177.2000107S530 I534S530-I532 VanDerWaalsContact C-N 3.34Å; S530-I532 PolarHBondContact O-N 3.21Å; I532-I534 PolarHBondContact O-N 3.48Å
533P32Very low38Very low115 Ų115118 Ų11875%0.74762%0.62SS**  trans-66.3107.9-179.8-2335.1000110.7K531K531-P533 VanDerWaalsContact O-CD 3.28Å; K531-P533 WeakPolarHBondContact O-CD 3.49Å
534I45.1Very low37.7Very low67 Ų67120.2 Ų120.234%0.34463%0.625SS.*  trans-85.8110.1168.8-43-178.9000106.5L53 I532 L537L53-I534 HydrophobicContact CB-CG2 4.14Å; L53-I534 VanDerWaalsContact O-CG2 3.31Å; L53-I534 WeakPolarHBondContact O-CG2 3.3Å; I532-I534 PolarHBondContact O-N 3.48Å; I534-L537 HydrophobicContact CB-CD1 4.36Å; I534-L537 HydrophobicContact CG2-CD1 3.52Å; I534-L537 HydrophobicContact CG2-CD2 4.42Å
535K38.7Very low37.2Very low164 Ų164120.4 Ų120.471%0.71363%0.625SS**SBendtrans-149.1116.4171.7-71.7-164174.3-172.20109.9E54 L537E54-K535 VanDerWaalsContact OE1-CA 3.28Å; E54-K535 WeakPolarHBondContact OE1-CA 3.23Å; K535-L537 PolarHBondContact O-N 3.34Å
536S48.1Very low37.3Very low71 Ų71121.7 Ų121.750%0.49763%0.631SS.*  trans35.962.5173.673.20000114.3E54 W538E54-S536 PolarHBondContact OE1-N 3.12Å; S536-W538 PolarHBondContact O-N 2.97Å
537L57Low37.5Very low23 Ų23120.8 Ų120.812%0.1263%0.63CS.*THydrogen-bonded Turntrans-58-4.5-167.5-98.662.1000117.5L53 I67 Q71 R75 I534 K535L53-L537 HydrophobicContact CD1-CD2 4.45Å; I67-L537 HydrophobicContact CG2-CD2 3.54Å; Q71-L537 HydrophobicContact CG-CB 4.45Å; Q71-L537 HydrophobicContact CG-CD2 4.12Å; Q71-L537 VanDerWaalsContact NE2-CG 3.33Å; Q71-L537 PolarHBondContact NE2-O 3.07Å; R75-L537 PolarHBondContact NH2-O 2.95Å; I534-L537 HydrophobicContact CB-CD1 4.36Å; I534-L537 HydrophobicContact CG2-CD1 3.52Å; I534-L537 HydrophobicContact CG2-CD2 4.42Å; K535-L537 PolarHBondContact O-N 3.34Å
538W64.3Low37.7Very low10 Ų10123.8 Ų123.84%0.03864%0.636CS.*THydrogen-bonded Turntrans-137.3-23-158.5-43.589.1000114.9R46 D50 L53 L70 Q71 S74 F86 S536R46-W538 HydrophobicContact CG-CD2 4.14Å; R46-W538 HydrophobicContact CG-CE3 3.9Å; R46-W538 HydrophobicContact CG-CZ3 4.19Å; D50-W538 PolarHBondContact OD1-NE1 3.34Å; D50-W538 VanDerWaalsContact OD1-NE1 3.1Å; L53-W538 HydrophobicContact CD1-CZ2 3.96Å; L70-W538 HydrophobicContact CB-CH2 3.82Å; L70-W538 HydrophobicContact CD2-CH2 3.74Å; L70-W538 HydrophobicContact CD2-CZ2 4.23Å; L70-W538 HydrophobicContact CG-CH2 3.55Å; L70-W538 HydrophobicContact CG-CZ2 4.49Å; L70-W538 HydrophobicContact CG-CZ3 4.08Å; L70-W538 WeakPolarHBondContact O-CZ3 3.42Å; Q71-W538 HydrophobicContact CB-CH2 4.17Å; Q71-W538 HydrophobicContact CB-CZ3 4.18Å; Q71-W538 HydrophobicContact CG-CE3 4.36Å; Q71-W538 HydrophobicContact CG-CH2 3.63Å; Q71-W538 HydrophobicContact CG-CZ2 3.89Å; Q71-W538 HydrophobicContact CG-CZ3 3.93Å; Q71-W538 VanDerWaalsContact N-CH2 3.3Å; S74-W538 VanDerWaalsContact OG-CZ3 3.25Å; S74-W538 WeakPolarHBondContact OG-CZ3 3.4Å; F86-W538 WeakPolarHBondContact CD1-O 3.12Å; F86-W538 WeakPolarHBondContact CE1-O 3.18Å; S536-W538 PolarHBondContact O-N 2.97Å
539R57Low37.7Very low142 Ų142129.5 Ų129.554%0.53664%0.643SS.*  trans-145.4123.2-173.1-165-179.5-59.6-88.14.5112.1D47 H541D47-R539 IonicContact OD1-NH2 3.13Å; D47-R539 IonicContact OD2-NH2 3.4Å; D47-R539 PolarHBondContact OD2-NH2 3.32Å; R539-H541 PolarHBondContact O-N 3.03Å; R539-H541 VanDerWaalsContact O-N 3.17Å
540G42.4Very low37.5Very low19 Ų19128 Ų12820%0.19665%0.645CS.*  trans-72.9103.5177.200000113.2
541H32.1Very low37.6Very low146 Ų146134.2 Ų134.268%0.67665%0.652SS**  trans61.9131.3167.9-60.6-84.6000118.8R539R539-H541 PolarHBondContact O-N 3.03Å; R539-H541 VanDerWaalsContact O-N 3.17Å
542K31.3Very low37.2Very low200 Ų200133.4 Ų133.487%0.8766%0.655SS**  -144.5144.5106-63-165-177.9170.70109.8
543N27.4Very low36.8Very low157 Ų157135 Ų13584%0.8466%0.664SS**  trans43.8100.3166.5-59.2-0.6000119.3
544I29.3Very low36.7Very low171 Ų171136.2 Ų136.288%0.87766%0.66SS**  trans-124.3131.2142.6-66.9-179.4000106.9
545T30.1Very low36.3Very low126 Ų126140.3 Ų140.377%0.77368%0.683SS**  trans-75.5134.6175.1-52.10000109.3E547T545-E547 PolarHBondContact O-N 3.33Å
546E31.6Very low36.2Very low192 Ų192137.6 Ų137.690%0.89768%0.684SS**  trans-69.5100.1177.8-66.7173.4157.200110.5
547E31.1Very low35.4Very low189 Ų189140.3 Ų140.388%0.88369%0.693SS**  trans-78.4143.6157.6-68.5-156.6158.200110.3T545T545-E547 PolarHBondContact O-N 3.33Å
548K32.8Very low34.2Very low202 Ų202148.9 Ų148.988%0.87873%0.729SS**  trans-102.6109.6-155.6171.1-162.1172.6-1710110.5
549E27.7Very low32.6Very low193 Ų193154.4 Ų154.490%0.90277%0.766SS**  trans-132165165.5-116.1174.2-153.200112.7
550T27.8Very low31.2Very low126 Ų126152.9 Ų152.977%0.77378%0.777SS**  trans-107.3150.8-145.7-31.10000113.4
551W29.3Very low30.7Very low236 Ų236160.1 Ų160.189%0.89481%0.81SS**  trans-49.9142.1179.1-62.885.7000115.2
552I26.3Very low30.8Very low158 Ų158162.4 Ų162.481%0.8182%0.818SS**  trans-122.3145.8139.3-64.5-177.3000106.7
553D31.2Very low31Very low129 Ų129162.8 Ų162.869%0.6982%0.819SS**  trans-96.3141.2-170.8-161.5-3.4000111.3
554E29.3Very low31.1Very low140 Ų140167.3 Ų167.365%0.65483%0.825SS**  trans-139.633.3-173-93.1-72160.300111.8S556E554-S556 PolarHBondContact O-N 2.94Å
555D36.5Very low31Very low153 Ų153162.3 Ų162.382%0.81882%0.816SS**THydrogen-bonded Turntrans-75.160176.4-154.323.7000111.6
556S36.8Very low30.9Very low107 Ų107162.9 Ų162.975%0.74882%0.824SS**THydrogen-bonded Turntrans-146.8-1.3-169-77.60000117.4E554E554-S556 PolarHBondContact O-N 2.94Å
557L32.7Very low30.7Very low128 Ų128157.2 Ų157.267%0.6782%0.818SS**SBendtrans-11618.7-169.3-75.8175.3000118
558F31.5Very low30.6Very low203 Ų203153.8 Ų153.889%0.8982%0.815SS**  trans-136.995.6170.3-72.1-71.9000114.8
559P30Very low30.5Very low125 Ų125152.1 Ų152.181%0.81282%0.816SS**  trans-63.6140172.9-23.234.8000113.8I561P559-I561 PolarHBondContact O-N 2.9Å
560S28.8Very low30.7Very low110 Ų110151.5 Ų151.577%0.76981%0.813SS**  trans-76.5120.1-171.7-44.70000114.6
561I31.3Very low30.8Very low171 Ų171150.7 Ų150.788%0.87781%0.812SS**  trans-88.5107.6163.7-62.7178.3000109.6P559P559-I561 PolarHBondContact O-N 2.9Å
562K34.7Very low31.2Very low194 Ų194145.5 Ų145.584%0.84381%0.806SS**  trans-81.2129.4179.1-65.2-179.9-179.9176.80111.5
563K34.7Very low31.4Very low208 Ų208145.1 Ų145.190%0.90481%0.805SS**  trans-70.3156.5165.1-71-175.2175.6-177.60111.4
564R28.9Very low31.4Very low252 Ų252143.9 Ų143.995%0.95181%0.806SS**  trans-149.7141.9162.8-154-173.4-64.8-141.27109.6
565G27.9Very low31.3Very low67 Ų67144.7 Ų144.769%0.69182%0.815SS**  trans83109-168.500000110.8
566S28.2Very low31.4Very low137 Ų137143.1 Ų143.196%0.95882%0.816SS**  cis82.312430.8-155.60000114.2
567G26.1Very low31.6Very low74 Ų74141 Ų14176%0.76381%0.811SS**  trans144.1113.2-171.600000109.6
568S30.3Very low32.1Very low117 Ų117142.3 Ų142.382%0.81882%0.819SS**  trans-119.7131.7-170.256.90000112.9
569N30.1Very low33Very low167 Ų167144.6 Ų144.689%0.89382%0.822SS**  trans-154144.1153.831.68.4000111.1
570E33.2Very low34.8Very low180 Ų180145.2 Ų145.284%0.84181%0.808SS**  trans-98.2140.3-169.9-177.7179.1149.700110.6
571S29.3Very low37.2Very low108 Ų108151.1 Ų151.176%0.75581%0.813SS**  trans-158.2129.5160.946.50000112I573S571-I573 PolarHBondContact O-N 3.28Å
572T38.2Very low39.7Very low127 Ų127145.9 Ų145.978%0.77978%0.783SS**  trans-82.8102.9-171.8-53.90000111.7
573I29.9Very low42.2Very low150 Ų150139.5 Ų139.577%0.76976%0.76SS**  trans-131.2107.8165.9-57.1-177.3000109.8S571 N575S571-I573 PolarHBondContact O-N 3.28Å; I573-N575 PolarHBondContact O-N 3.17Å
574S30.9Very low44.6Very low104 Ų104138 Ų13873%0.72776%0.756SS**  trans-79.392-176.643.30000112.2S576S574-S576 VanDerWaalsContact C-N 3.26Å; S574-S576 PolarHBondContact O-N 3.39Å
575N28.2Very low47.3Very low156 Ų156129.6 Ų129.683%0.83474%0.736SS**  trans-8066.7-177.9-150.516.8000112.9I573 G577I573-N575 PolarHBondContact O-N 3.17Å; N575-G577 VanDerWaalsContact C-N 3.32Å; N575-G577 PolarHBondContact O-N 3.09Å
576S37.8Very low50.2Low120 Ų120126.6 Ų126.684%0.83970%0.704SS**THydrogen-bonded Turntrans-79.467.3-174.261.30000113.4S574S574-S576 VanDerWaalsContact C-N 3.26Å; S574-S576 PolarHBondContact O-N 3.39Å
577G41.4Very low53.1Low63 Ų63120.9 Ų120.965%0.64966%0.663SS**THydrogen-bonded Turntrans-123.5-36.417800000115.5N575N575-G577 VanDerWaalsContact C-N 3.32Å; N575-G577 PolarHBondContact O-N 3.09Å
578N42.3Very low56.2Low156 Ų156121.6 Ų121.683%0.83465%0.647SS**SBendtrans-83.4123.8-175.6-77.4-17.1000112.3R580N578-R580 VanDerWaalsContact C-N 3.35Å; N578-R580 PolarHBondContact O-N 3.4Å
579R50.7Low59.1Low250 Ų250118 Ų11894%0.94362%0.618SS**  trans-64.988.8170.8-68.9-180177.4174.2-0.8110R581R579-R581 PolarHBondContact O-N 3Å
580R68.6Low62Low139 Ų139110.1 Ų110.153%0.52558%0.576SS.*PPolyproline II helixtrans-51.9120.4178.4-63.3-176.8-174.8160.61.8110N578 N612 E613 R614N578-R580 VanDerWaalsContact C-N 3.35Å; N578-R580 PolarHBondContact O-N 3.4Å; R580-N612 PolarHBondContact NH1-O 3.45Å; R580-N612 VanDerWaalsContact NH1-O 3.09Å; R580-E613 IonicContact CZ-OE2 2.79Å; R580-E613 IonicContact NH1-OE2 2.8Å; R580-E613 PolarHBondContact NH1-OE2 3.34Å; R580-E613 IonicContact NH2-OE2 2.63Å; R580-E613 PolarHBondContact NH2-OE2 2.99Å; R580-R614 PolarHBondContact O-NH1 2.75Å; R580-R614 PolarHBondContact O-NH2 2.72Å
581R79.2Confident64.8Low234 Ų234103.4 Ų103.488%0.88355%0.545SS*.PPolyproline II helixtrans-60.3151.9172.3-66.3-174.2178.9-162.7-0.2109.6R579 R614R579-R581 PolarHBondContact O-N 3Å; R581-R614 PolarHBondContact O-NH2 2.74Å
582W83.8Confident67.6Low61 Ų61102.2 Ų102.223%0.23153%0.528CS..PPolyproline II helixtrans-77.3131.3175.2-78.383.9000109.8E586 F611 R614 N618 I619 R622W582-E586 WeakPolarHBondContact CA-OE2 3.38Å; W582-E586 HydrophobicContact CE3-CB 3.62Å; W582-E586 HydrophobicContact CE3-CG 4.49Å; W582-E586 HydrophobicContact CZ3-CB 3.95Å; W582-F611 HydrophobicContact CZ3-CD1 4.29Å; W582-R614 HydrophobicContact CH2-CG 4.14Å; W582-R614 HydrophobicContact CZ2-CG 4.44Å; W582-N618 HydrophobicContact CZ2-CB 4.09Å; W582-N618 WeakPolarHBondContact CZ2-O 3.35Å; W582-I619 HydrophobicContact CH2-CG1 4.15Å; W582-R622 HydrophobicContact CD2-CB 4.18Å; W582-R622 HydrophobicContact CD2-CG 3.67Å; W582-R622 HydrophobicContact CE3-CB 4.46Å; W582-R622 HydrophobicContact CE3-CG 3.79Å; W582-R622 HydrophobicContact CG-CG 4.27Å; W582-R622 HydrophobicContact CH2-CB 3.83Å; W582-R622 HydrophobicContact CH2-CG 4.01Å; W582-R622 HydrophobicContact CZ2-CB 3.45Å; W582-R622 VanDerWaalsContact CZ2-CB 3.45Å; W582-R622 HydrophobicContact CZ2-CG 3.86Å; W582-R622 HydrophobicContact CZ3-CB 4.31Å; W582-R622 HydrophobicContact CZ3-CG 3.96Å
583T86.8Confident70.2Confident59 Ų5996.1 Ų96.136%0.36249%0.491SS..PPolyproline II helixtrans-79163.217169.80000111S585 E586 T587T583-S585 VanDerWaalsContact C-N 3.33Å; T583-S585 PolarHBondContact OG1-OG 2.96Å; T583-E586 PolarHBondContact N-OE2 3.38Å; T583-E586 PolarHBondContact O-N 3.43Å; T583-E586 WeakPolarHBondContact OG1-CB 3.44Å; T583-E586 WeakPolarHBondContact OG1-CG 3.24Å; T583-E586 PolarHBondContact OG1-N 3.19Å; T583-T587 WeakPolarHBondContact O-CB 3.5Å; T583-T587 PolarHBondContact O-N 3.18Å; T583-T587 VanDerWaalsContact O-N 3.07Å; T583-T587 PolarHBondContact O-OG1 3.23Å
584E83.8Confident73.1Confident177 Ų17789.6 Ų89.683%0.82746%0.458SS*.Hα-helixtrans-62.7-41.5171.3-72.7156.8-15900111E586 T587 E588E584-E586 PolarHBondContact O-N 3.31Å; E584-T587 CarbonylContact O-C 3.52Å; E584-T587 WeakPolarHBondContact O-CA 3.36Å; E584-T587 WeakPolarHBondContact O-CB 3.35Å; E584-T587 PolarHBondContact O-N 3.42Å; E584-E588 PolarHBondContact O-N 3.42Å
585S86.2Confident75.9Confident75 Ų7593.8 Ų93.852%0.52446%0.463SS..Hα-helixtrans-61.8-41174.551.50000113.9T583 T587 N589T583-S585 VanDerWaalsContact C-N 3.33Å; T583-S585 PolarHBondContact OG1-OG 2.96Å; S585-T587 PolarHBondContact O-N 3.08Å; S585-N589 VanDerWaalsContact O-CB 3.23Å; S585-N589 WeakPolarHBondContact O-CB 3.39Å; S585-N589 PolarHBondContact O-N 2.83Å; S585-N589 PolarHBondContact O-ND2 2.91Å
586E89.1Confident78.8Confident5 Ų591.8 Ų91.82%0.02345%0.447CS..Hα-helixtrans-66.1-25.6171-73177.9124.100112.2W582 T583 E584 L590 F611 R614W582-E586 WeakPolarHBondContact CA-OE2 3.38Å; W582-E586 HydrophobicContact CE3-CB 3.62Å; W582-E586 HydrophobicContact CE3-CG 4.49Å; W582-E586 HydrophobicContact CZ3-CB 3.95Å; T583-E586 PolarHBondContact N-OE2 3.38Å; T583-E586 PolarHBondContact O-N 3.43Å; T583-E586 WeakPolarHBondContact OG1-CB 3.44Å; T583-E586 WeakPolarHBondContact OG1-CG 3.24Å; T583-E586 PolarHBondContact OG1-N 3.19Å; E584-E586 PolarHBondContact O-N 3.31Å; E586-L590 WeakPolarHBondContact O-CB 3.48Å; E586-L590 PolarHBondContact O-N 2.65Å; E586-F611 HydrophobicContact CB-CD1 4.3Å; E586-F611 HydrophobicContact CG-CD1 4.5Å; E586-F611 VanDerWaalsContact O-CE1 3.31Å; E586-F611 WeakPolarHBondContact O-CE1 3.41Å; E586-R614 VanDerWaalsContact CD-NH2 3.33Å; E586-R614 IonicContact OE1-CZ 3.71Å; E586-R614 IonicContact OE1-NE 2.79Å; E586-R614 PolarHBondContact OE1-NE 3.14Å; E586-R614 IonicContact OE1-NH2 3.69Å; E586-R614 PolarHBondContact OE1-NH2 3.28Å; E586-R614 VanDerWaalsContact OE1-NH2 3.13Å; E586-R614 IonicContact OE2-CZ 2.91Å; E586-R614 IonicContact OE2-NE 3.69Å; E586-R614 IonicContact OE2-NH2 2.68Å; E586-R614 PolarHBondContact OE2-NH2 2.99Å
587T89.8Confident81.3Confident17 Ų1788.7 Ų88.710%0.10442%0.418CS..Hα-helixtrans-81.4-44.7-179.3-56.60000110.9T583 E584 S585 L590 I591 R622 L626T583-T587 WeakPolarHBondContact O-CB 3.5Å; T583-T587 PolarHBondContact O-N 3.18Å; T583-T587 VanDerWaalsContact O-N 3.07Å; T583-T587 PolarHBondContact O-OG1 3.23Å; E584-T587 CarbonylContact O-C 3.52Å; E584-T587 WeakPolarHBondContact O-CA 3.36Å; E584-T587 WeakPolarHBondContact O-CB 3.35Å; E584-T587 PolarHBondContact O-N 3.42Å; S585-T587 PolarHBondContact O-N 3.08Å; T587-L590 WeakPolarHBondContact O-CB 3.23Å; T587-L590 PolarHBondContact O-N 3.33Å; T587-I591 HydrophobicContact CG2-CD1 4.27Å; T587-I591 WeakPolarHBondContact O-CG1 3.21Å; T587-I591 PolarHBondContact O-N 3.37Å; T587-R622 PolarHBondContact OG1-NH2 3.22Å; T587-L626 HydrophobicContact CG2-CD1 4.05Å; T587-L626 HydrophobicContact CG2-CD2 3.76Å
588E90.4Very high83.4Confident89 Ų8987.2 Ų87.242%0.41640%0.403SS..Hα-helixtrans-64.2-44.6174.8-17955.5-155.500111.5E584 L590 I591 Q592E584-E588 PolarHBondContact O-N 3.42Å; E588-L590 PolarHBondContact O-N 3.12Å; E588-I591 PolarHBondContact O-N 3.11Å; E588-I591 VanDerWaalsContact O-N 3.08Å; E588-Q592 HydrophobicContact CG-CG 4.49Å; E588-Q592 WeakPolarHBondContact O-CG 3.45Å; E588-Q592 PolarHBondContact O-N 3.2Å; E588-Q592 VanDerWaalsContact OE1-CG 3.27Å; E588-Q592 WeakPolarHBondContact OE1-CG 3.38Å; E588-Q592 PolarHBondContact OE1-NE2 3.01Å
589N91.6Very high85.6Confident42 Ų4284.7 Ų84.723%0.22539%0.386CS..Hα-helixtrans-56.3-34173-78.4-9.8000112.7S585 G593 Y609 S610 F611S585-N589 VanDerWaalsContact O-CB 3.23Å; S585-N589 WeakPolarHBondContact O-CB 3.39Å; S585-N589 PolarHBondContact O-N 2.83Å; S585-N589 PolarHBondContact O-ND2 2.91Å; N589-G593 WeakPolarHBondContact O-CA 3.5Å; N589-G593 PolarHBondContact O-N 3.07Å; N589-Y609 HydrophobicContact CB-CD1 3.71Å; N589-Y609 HydrophobicContact CB-CE1 4.45Å; N589-Y609 HydrophobicContact CB-CG 4.06Å; N589-Y609 WeakPolarHBondContact OD1-CD1 3.43Å; N589-S610 PolarHBondContact ND2-O 3.3Å; N589-F611 HydrophobicContact CB-CD1 4.43Å; N589-F611 HydrophobicContact CB-CE1 3.65Å; N589-F611 HydrophobicContact CB-CZ 3.97Å
590L91.6Very high87.1Confident0 Ų074.9 Ų74.90%036%0.363CS..Hα-helixtrans-73.5-42.2175.817655.6000111.8E586 T587 E588 G593 V594 W602 I605 F611 I619 R622 W623 L626E586-L590 WeakPolarHBondContact O-CB 3.48Å; E586-L590 PolarHBondContact O-N 2.65Å; T587-L590 WeakPolarHBondContact O-CB 3.23Å; T587-L590 PolarHBondContact O-N 3.33Å; E588-L590 PolarHBondContact O-N 3.12Å; L590-G593 PolarHBondContact O-N 3.35Å; L590-V594 HydrophobicContact CD1-CG2 4.1Å; L590-V594 PolarHBondContact O-N 2.99Å; L590-W602 HydrophobicContact CD1-CZ3 4.1Å; L590-I605 HydrophobicContact CD1-CG2 4.4Å; L590-F611 HydrophobicContact CB-CE1 4.01Å; L590-F611 HydrophobicContact CB-CZ 4.34Å; L590-I619 HydrophobicContact CD1-CG2 3.56Å; L590-R622 HydrophobicContact CD2-CB 3.85Å; L590-R622 HydrophobicContact CD2-CG 3.51Å; L590-W623 HydrophobicContact CD2-CB 4.3Å; L590-W623 HydrophobicContact CG-CE3 4.19Å; L590-L626 HydrophobicContact CD2-CD1 3.99Å; L590-L626 HydrophobicContact CG-CD1 4.48Å
591I90.8Very high88.1Confident39 Ų3971.2 Ų71.220%0.235%0.354CS..Hα-helixtrans-62.1-50.6177.4-67.4167.9000110.4T587 E588 G593 V594 K595 W623 L626 V632T587-I591 HydrophobicContact CG2-CD1 4.27Å; T587-I591 WeakPolarHBondContact O-CG1 3.21Å; T587-I591 PolarHBondContact O-N 3.37Å; E588-I591 PolarHBondContact O-N 3.11Å; E588-I591 VanDerWaalsContact O-N 3.08Å; I591-G593 VanDerWaalsContact C-N 3.31Å; I591-G593 PolarHBondContact O-N 3.4Å; I591-V594 PolarHBondContact O-N 3.11Å; I591-K595 WeakPolarHBondContact O-CB 3.45Å; I591-K595 PolarHBondContact O-N 2.96Å; I591-W623 HydrophobicContact CG1-CZ3 4.45Å; I591-L626 HydrophobicContact CG1-CD1 4.41Å; I591-V632 HydrophobicContact CD1-CG2 3.84Å; I591-V632 HydrophobicContact CG1-CG2 3.72Å; I591-V632 HydrophobicContact CG2-CG1 4.21Å
592Q88.6Confident88.7Confident83 Ų8361.5 Ų61.539%0.38832%0.317SS..Hα-helixtrans-63.1-38.6174.7-62.4-171.913.700112E588 K595 K596 Y609E588-Q592 HydrophobicContact CG-CG 4.49Å; E588-Q592 WeakPolarHBondContact O-CG 3.45Å; E588-Q592 PolarHBondContact O-N 3.2Å; E588-Q592 VanDerWaalsContact OE1-CG 3.27Å; E588-Q592 WeakPolarHBondContact OE1-CG 3.38Å; E588-Q592 PolarHBondContact OE1-NE2 3.01Å; Q592-K595 PolarHBondContact O-N 3.24Å; Q592-K596 WeakPolarHBondContact O-CB 3.35Å; Q592-K596 PolarHBondContact O-N 3.21Å; Q592-Y609 HydrophobicContact CB-CE1 4.29Å; Q592-Y609 WeakPolarHBondContact CB-OH 3.28Å
593G92.1Very high88.9Confident0 Ų062.3 Ų62.30%033%0.332CS..Hα-helixtrans-56.7-50.2174.800000113.1N589 L590 I591 K596 F597N589-G593 WeakPolarHBondContact O-CA 3.5Å; N589-G593 PolarHBondContact O-N 3.07Å; L590-G593 PolarHBondContact O-N 3.35Å; I591-G593 VanDerWaalsContact C-N 3.31Å; I591-G593 PolarHBondContact O-N 3.4Å; G593-K596 PolarHBondContact O-N 3.01Å; G593-F597 WeakPolarHBondContact O-CB 3.49Å; G593-F597 WeakPolarHBondContact O-CD2 3.46Å; G593-F597 PolarHBondContact O-N 3.32Å
594V90.9Very high88.8Confident13 Ų1365.3 Ų65.38%0.07934%0.34CS..Hα-helixtrans-69.9-38.1177.5177.30000111.4L590 I591 K596 G598 E599 W602 I605 W623L590-V594 HydrophobicContact CD1-CG2 4.1Å; L590-V594 PolarHBondContact O-N 2.99Å; I591-V594 PolarHBondContact O-N 3.11Å; V594-K596 VanDerWaalsContact C-N 3.26Å; V594-K596 PolarHBondContact O-N 2.91Å; V594-G598 VanDerWaalsContact O-CA 3.22Å; V594-G598 WeakPolarHBondContact O-CA 3.24Å; V594-G598 PolarHBondContact O-N 3.13Å; V594-E599 HydrophobicContact CG1-CB 4.04Å; V594-W602 HydrophobicContact CG2-CH2 4.02Å; V594-W602 HydrophobicContact CG2-CZ3 3.59Å; V594-I605 HydrophobicContact CG2-CD1 3.77Å; V594-W623 HydrophobicContact CB-CD2 4.47Å; V594-W623 HydrophobicContact CB-CE3 4.21Å; V594-W623 HydrophobicContact CB-CH2 3.74Å; V594-W623 HydrophobicContact CB-CZ2 4.04Å; V594-W623 HydrophobicContact CB-CZ3 3.84Å; V594-W623 HydrophobicContact CG1-CD2 4.47Å; V594-W623 HydrophobicContact CG1-CH2 3.6Å; V594-W623 HydrophobicContact CG1-CZ2 3.45Å; V594-W623 VanDerWaalsContact CG1-CZ2 3.45Å; V594-W623 HydrophobicContact CG1-CZ3 4.19Å; V594-W623 HydrophobicContact CG2-CD2 3.86Å; V594-W623 HydrophobicContact CG2-CE3 3.77Å; V594-W623 HydrophobicContact CG2-CG 4.48Å; V594-W623 HydrophobicContact CG2-CH2 4.18Å; V594-W623 HydrophobicContact CG2-CZ2 4.29Å; V594-W623 HydrophobicContact CG2-CZ3 3.93Å
595K90.4Very high89.2Confident191 Ų19156.9 Ų56.983%0.8330%0.301SS*.Hα-helixtrans-61-33174.2-172.3175.9-178.6177.60112.9I591 Q592I591-K595 WeakPolarHBondContact O-CB 3.45Å; I591-K595 PolarHBondContact O-N 2.96Å; Q592-K595 PolarHBondContact O-N 3.24Å
596K88.9Confident89.3Confident115 Ų11557.3 Ų57.350%0.529%0.293SS..Hα-helixtrans-91-35.9-177.5-175.4169.2-177.7168.70114.3Q592 G593 V594 Y608Q592-K596 WeakPolarHBondContact O-CB 3.35Å; Q592-K596 PolarHBondContact O-N 3.21Å; G593-K596 PolarHBondContact O-N 3.01Å; V594-K596 VanDerWaalsContact C-N 3.26Å; V594-K596 PolarHBondContact O-N 2.91Å; K596-Y608 VanDerWaalsContact NZ-CZ 3.32Å; K596-Y608 PolarHBondContact NZ-OH 3.12Å
597F89.4Confident89.2Confident54 Ų5461.4 Ų61.424%0.23733%0.328CS..Hα-helixtrans-113.1-5.6-173.7-63.9-71.7000114.5G593 N601 K604 I605 Y608 Y609G593-F597 WeakPolarHBondContact O-CB 3.49Å; G593-F597 WeakPolarHBondContact O-CD2 3.46Å; G593-F597 PolarHBondContact O-N 3.32Å; F597-N601 HydrophobicContact CB-CB 4.15Å; F597-N601 WeakPolarHBondContact O-CB 3.37Å; F597-N601 PolarHBondContact O-ND2 3.45Å; F597-K604 HydrophobicContact CD1-CB 4.26Å; F597-K604 HydrophobicContact CG-CB 4.38Å; F597-I605 HydrophobicContact CB-CG1 3.97Å; F597-I605 HydrophobicContact CD2-CG1 3.98Å; F597-I605 HydrophobicContact CG-CG1 4.36Å; F597-Y608 HydrophobicContact CE2-CD1 4.15Å; F597-Y608 HydrophobicContact CE2-CD2 4.07Å; F597-Y608 AromaticContact CE2-CG 3.71Å; F597-Y608 HydrophobicContact CE2-CG 3.71Å; F597-Y608 HydrophobicContact CZ-CD1 4.45Å; F597-Y608 AromaticContact CZ-CD2 3.58Å; F597-Y608 HydrophobicContact CZ-CD2 3.58Å; F597-Y608 HydrophobicContact CZ-CE2 4.2Å; F597-Y608 AromaticContact CZ-CG 3.72Å; F597-Y608 HydrophobicContact CZ-CG 3.72Å; F597-Y609 HydrophobicContact CE2-CE2 4.25Å
598G86.8Confident89.1Confident32 Ų3266.9 Ų66.933%0.3335%0.348SS..  trans78.4156.3-173.800000113.3V594V594-G598 VanDerWaalsContact O-CA 3.22Å; V594-G598 WeakPolarHBondContact O-CA 3.24Å; V594-G598 PolarHBondContact O-N 3.13Å
599E87.9Confident89Confident103 Ų10364.2 Ų64.248%0.48133%0.334SS..THydrogen-bonded Turntrans-65.3142.7177.3-176.9167.9-158.900110.9V594 W602 W623 K627V594-E599 HydrophobicContact CG1-CB 4.04Å; E599-W602 HydrophobicContact CG-CH2 4.08Å; E599-W602 HydrophobicContact CG-CZ2 4.05Å; E599-W623 VanDerWaalsContact OE1-CD1 3.24Å; E599-W623 PolarHBondContact OE1-NE1 3.2Å; E599-K627 IonicContact OE1-NZ 2.62Å; E599-K627 PolarHBondContact OE1-NZ 3.17Å; E599-K627 IonicContact OE2-NZ 2.79Å; E599-K627 PolarHBondContact OE2-NZ 2.96Å
600G83.1Confident88.6Confident44 Ų4466.8 Ų66.845%0.45436%0.355SS..THydrogen-bonded Turntrans93.4-25-177.300000114.8W602G600-W602 VanDerWaalsContact N-CZ2 3.31Å; G600-W602 PolarHBondContact O-N 2.82Å; G600-W602 PolarHBondContact O-NE1 3.26Å
601N89.2Confident88.3Confident63 Ų6367.1 Ų67.134%0.33736%0.357SS..  trans-7840.6-177.8-83.9-54.7000114.1F597 S603 K604 I605F597-N601 HydrophobicContact CB-CB 4.15Å; F597-N601 WeakPolarHBondContact O-CB 3.37Å; F597-N601 PolarHBondContact O-ND2 3.45Å; N601-S603 VanDerWaalsContact C-N 3.3Å; N601-S603 PolarHBondContact O-N 3.49Å; N601-S603 VanDerWaalsContact O-N 3.16Å; N601-K604 HydrophobicContact CB-CB 4.47Å; N601-K604 HydrophobicContact CB-CD 4.38Å; N601-K604 PolarHBondContact O-N 2.89Å; N601-I605 PolarHBondContact O-N 3.24Å
602W90.8Very high87.8Confident29 Ų2970.1 Ų70.111%0.1137%0.373CS..Hα-helixtrans-54.8-37.8-171.1-48.1117.5000114.2L590 V594 E599 G600 I605 K606 N616 I619 K620 W623L590-W602 HydrophobicContact CD1-CZ3 4.1Å; V594-W602 HydrophobicContact CG2-CH2 4.02Å; V594-W602 HydrophobicContact CG2-CZ3 3.59Å; E599-W602 HydrophobicContact CG-CH2 4.08Å; E599-W602 HydrophobicContact CG-CZ2 4.05Å; G600-W602 VanDerWaalsContact N-CZ2 3.31Å; G600-W602 PolarHBondContact O-N 2.82Å; G600-W602 PolarHBondContact O-NE1 3.26Å; W602-I605 HydrophobicContact CE3-CD1 3.92Å; W602-I605 HydrophobicContact CZ3-CD1 4.08Å; W602-I605 PolarHBondContact O-N 3.47Å; W602-K606 WeakPolarHBondContact O-CB 3.46Å; W602-K606 PolarHBondContact O-N 2.82Å; W602-N616 HydrophobicContact CB-CB 4.05Å; W602-I619 HydrophobicContact CD2-CG2 4.46Å; W602-I619 HydrophobicContact CE3-CG2 3.66Å; W602-I619 HydrophobicContact CZ3-CG2 4.32Å; W602-K620 HydrophobicContact CD2-CB 4.06Å; W602-K620 HydrophobicContact CG-CB 4.23Å; W602-K620 HydrophobicContact CZ2-CB 4.29Å; W602-K620 HydrophobicContact CZ2-CG 4.14Å; W602-W623 HydrophobicContact CH2-CB 3.77Å; W602-W623 AromaticContact CH2-CD1 3.55Å; W602-W623 HydrophobicContact CH2-CD2 4.39Å; W602-W623 AromaticContact CH2-CG 3.62Å; W602-W623 HydrophobicContact CH2-CG 3.62Å; W602-W623 HydrophobicContact CZ3-CB 4.04Å; W602-W623 HydrophobicContact CZ3-CG 4.16Å
603S87.9Confident87.2Confident79 Ų7973.4 Ų73.455%0.55239%0.388SS*.Hα-helixtrans-64.8-38.6176.8-530000112.7N601 A607 N616N601-S603 VanDerWaalsContact C-N 3.3Å; N601-S603 PolarHBondContact O-N 3.49Å; N601-S603 VanDerWaalsContact O-N 3.16Å; S603-A607 WeakPolarHBondContact O-CB 3.45Å; S603-A607 PolarHBondContact O-N 3.01Å; S603-N616 PolarHBondContact OG-ND2 3.4Å
604K86Confident86.9Confident121 Ų12174.8 Ų74.853%0.52639%0.394SS..Hα-helixtrans-71.6-42177.1-64.7179.2179.5171.70110.7F597 N601 A607 Y608F597-K604 HydrophobicContact CD1-CB 4.26Å; F597-K604 HydrophobicContact CG-CB 4.38Å; N601-K604 HydrophobicContact CB-CB 4.47Å; N601-K604 HydrophobicContact CB-CD 4.38Å; N601-K604 PolarHBondContact O-N 2.89Å; K604-A607 PolarHBondContact O-N 3.46Å; K604-Y608 WeakPolarHBondContact O-CB 3.42Å; K604-Y608 PolarHBondContact O-N 3.13Å
605I90.9Very high86.7Confident0 Ų077.3 Ų77.30%041%0.409CS..Hα-helixtrans-59-49.9175.1-65.9167.3000110.2L590 V594 F597 N601 W602 A607 Y608 Y609 F611 I619L590-I605 HydrophobicContact CD1-CG2 4.4Å; V594-I605 HydrophobicContact CG2-CD1 3.77Å; F597-I605 HydrophobicContact CB-CG1 3.97Å; F597-I605 HydrophobicContact CD2-CG1 3.98Å; F597-I605 HydrophobicContact CG-CG1 4.36Å; N601-I605 PolarHBondContact O-N 3.24Å; W602-I605 HydrophobicContact CE3-CD1 3.92Å; W602-I605 HydrophobicContact CZ3-CD1 4.08Å; W602-I605 PolarHBondContact O-N 3.47Å; I605-A607 VanDerWaalsContact C-N 3.33Å; I605-A607 PolarHBondContact O-N 3Å; I605-Y608 PolarHBondContact O-N 3.08Å; I605-Y609 PolarHBondContact O-N 3.14Å; I605-F611 HydrophobicContact CG2-CE2 3.73Å; I605-F611 HydrophobicContact CG2-CZ 3.75Å; I605-I619 HydrophobicContact CG2-CG2 4.44Å
606K89.4Confident86.5Confident85 Ų8570.9 Ų70.937%0.3738%0.384SS..Hα-helixtrans-62.5-34.9176.8-178.4174.3171.5171.90113.5W602 Y609 R614 N616 I619W602-K606 WeakPolarHBondContact O-CB 3.46Å; W602-K606 PolarHBondContact O-N 2.82Å; K606-Y609 VanDerWaalsContact O-O 3.13Å; K606-R614 WeakPolarHBondContact CD-O 3.39Å; K606-R614 VanDerWaalsContact CE-O 3.25Å; K606-R614 WeakPolarHBondContact CE-O 3.39Å; K606-R614 PolarHBondContact NZ-O 3.38Å; K606-N616 VanDerWaalsContact CD-OD1 3.28Å; K606-N616 WeakPolarHBondContact CD-OD1 3.4Å; K606-I619 HydrophobicContact CB-CD1 3.73Å; K606-I619 HydrophobicContact CD-CD1 4.24Å; K606-I619 HydrophobicContact CG-CD1 4.08Å
607A86.3Confident86.4Confident90 Ų9070.5 Ų70.574%0.74439%0.391SS*.Hα-helixtrans-74.6-28178.500000112.9S603 K604 I605S603-A607 WeakPolarHBondContact O-CB 3.45Å; S603-A607 PolarHBondContact O-N 3.01Å; K604-A607 PolarHBondContact O-N 3.46Å; I605-A607 VanDerWaalsContact C-N 3.33Å; I605-A607 PolarHBondContact O-N 3Å
608Y87.4Confident86.3Confident133 Ų13371.3 Ų71.352%0.52240%0.398SS..Hα-helixtrans-90-31.8-178.2-167.7-80000113.4K596 F597 K604 I605K596-Y608 VanDerWaalsContact NZ-CZ 3.32Å; K596-Y608 PolarHBondContact NZ-OH 3.12Å; F597-Y608 HydrophobicContact CE2-CD1 4.15Å; F597-Y608 HydrophobicContact CE2-CD2 4.07Å; F597-Y608 AromaticContact CE2-CG 3.71Å; F597-Y608 HydrophobicContact CE2-CG 3.71Å; F597-Y608 HydrophobicContact CZ-CD1 4.45Å; F597-Y608 AromaticContact CZ-CD2 3.58Å; F597-Y608 HydrophobicContact CZ-CD2 3.58Å; F597-Y608 HydrophobicContact CZ-CE2 4.2Å; F597-Y608 AromaticContact CZ-CG 3.72Å; F597-Y608 HydrophobicContact CZ-CG 3.72Å; K604-Y608 WeakPolarHBondContact O-CB 3.42Å; K604-Y608 PolarHBondContact O-N 3.13Å; I605-Y608 PolarHBondContact O-N 3.08Å
609Y87.9Confident86.5Confident32 Ų3269.8 Ų69.813%0.12538%0.382CS..SBendtrans-118.9137.4-176.8-68.7-88.5000112.2N589 Q592 F597 I605 K606 F611N589-Y609 HydrophobicContact CB-CD1 3.71Å; N589-Y609 HydrophobicContact CB-CE1 4.45Å; N589-Y609 HydrophobicContact CB-CG 4.06Å; N589-Y609 WeakPolarHBondContact OD1-CD1 3.43Å; Q592-Y609 HydrophobicContact CB-CE1 4.29Å; Q592-Y609 WeakPolarHBondContact CB-OH 3.28Å; F597-Y609 HydrophobicContact CE2-CE2 4.25Å; I605-Y609 PolarHBondContact O-N 3.14Å; K606-Y609 VanDerWaalsContact O-O 3.13Å; Y609-F611 HydrophobicContact CG-CZ 4.46Å; Y609-F611 WeakPolarHBondContact O-CD2 3.45Å; Y609-F611 WeakPolarHBondContact O-CE2 3.47Å; Y609-F611 PolarHBondContact O-N 3.11Å
610S85.1Confident86.6Confident96 Ų9670 Ų7067%0.67138%0.382SS*.  trans-71.2116.8175.3-61.60000111.6N589N589-S610 PolarHBondContact ND2-O 3.3Å
611F85.3Confident86.8Confident8 Ų872 Ų724%0.03538%0.382CS..  trans-126.354.1175.5-58-80.5000111.7W582 E586 N589 L590 I605 Y609 E613 R614 I619W582-F611 HydrophobicContact CZ3-CD1 4.29Å; E586-F611 HydrophobicContact CB-CD1 4.3Å; E586-F611 HydrophobicContact CG-CD1 4.5Å; E586-F611 VanDerWaalsContact O-CE1 3.31Å; E586-F611 WeakPolarHBondContact O-CE1 3.41Å; N589-F611 HydrophobicContact CB-CD1 4.43Å; N589-F611 HydrophobicContact CB-CE1 3.65Å; N589-F611 HydrophobicContact CB-CZ 3.97Å; L590-F611 HydrophobicContact CB-CE1 4.01Å; L590-F611 HydrophobicContact CB-CZ 4.34Å; I605-F611 HydrophobicContact CG2-CE2 3.73Å; I605-F611 HydrophobicContact CG2-CZ 3.75Å; Y609-F611 HydrophobicContact CG-CZ 4.46Å; Y609-F611 WeakPolarHBondContact O-CD2 3.45Å; Y609-F611 WeakPolarHBondContact O-CE2 3.47Å; Y609-F611 PolarHBondContact O-N 3.11Å; F611-E613 PolarHBondContact O-N 3.12Å; F611-R614 HydrophobicContact CB-CB 4Å; F611-R614 HydrophobicContact CB-CG 3.96Å; F611-R614 VanDerWaalsContact O-CB 3.25Å; F611-R614 WeakPolarHBondContact O-CB 3.48Å; F611-R614 WeakPolarHBondContact O-CG 3.06Å; F611-R614 PolarHBondContact O-N 2.9Å; F611-I619 HydrophobicContact CD2-CD1 3.82Å; F611-I619 HydrophobicContact CE2-CD1 4.18Å; F611-I619 HydrophobicContact CG-CD1 4.24Å
612N78.4Confident86.8Confident101 Ų10171.8 Ų71.854%0.5438%0.376SS..THydrogen-bonded Turntrans29.759.3162.6-60.8-3.6000116.7R580 R614R580-N612 PolarHBondContact NH1-O 3.45Å; R580-N612 VanDerWaalsContact NH1-O 3.09Å; N612-R614 VanDerWaalsContact C-N 3.29Å; N612-R614 PolarHBondContact O-N 3.4Å
613E77.8Confident86.8Confident153 Ų15371 Ų7172%0.71537%0.373SS*.THydrogen-bonded Turntrans68.71.1180-50.7173.7120.100117.4R580 F611R580-E613 IonicContact CZ-OE2 2.79Å; R580-E613 IonicContact NH1-OE2 2.8Å; R580-E613 PolarHBondContact NH1-OE2 3.34Å; R580-E613 IonicContact NH2-OE2 2.63Å; R580-E613 PolarHBondContact NH2-OE2 2.99Å; F611-E613 PolarHBondContact O-N 3.12Å
614R84.1Confident86.8Confident28 Ų2874.4 Ų74.411%0.10637%0.374CS..  trans-53.9145.7178.1-58-78.6-177.2-170.3-4.8112.4R580 R581 W582 E586 K606 F611 N612 N618 I619R580-R614 PolarHBondContact O-NH1 2.75Å; R580-R614 PolarHBondContact O-NH2 2.72Å; R581-R614 PolarHBondContact O-NH2 2.74Å; W582-R614 HydrophobicContact CH2-CG 4.14Å; W582-R614 HydrophobicContact CZ2-CG 4.44Å; E586-R614 VanDerWaalsContact CD-NH2 3.33Å; E586-R614 IonicContact OE1-CZ 3.71Å; E586-R614 IonicContact OE1-NE 2.79Å; E586-R614 PolarHBondContact OE1-NE 3.14Å; E586-R614 IonicContact OE1-NH2 3.69Å; E586-R614 PolarHBondContact OE1-NH2 3.28Å; E586-R614 VanDerWaalsContact OE1-NH2 3.13Å; E586-R614 IonicContact OE2-CZ 2.91Å; E586-R614 IonicContact OE2-NE 3.69Å; E586-R614 IonicContact OE2-NH2 2.68Å; E586-R614 PolarHBondContact OE2-NH2 2.99Å; K606-R614 WeakPolarHBondContact CD-O 3.39Å; K606-R614 VanDerWaalsContact CE-O 3.25Å; K606-R614 WeakPolarHBondContact CE-O 3.39Å; K606-R614 PolarHBondContact NZ-O 3.38Å; F611-R614 HydrophobicContact CB-CB 4Å; F611-R614 HydrophobicContact CB-CG 3.96Å; F611-R614 VanDerWaalsContact O-CB 3.25Å; F611-R614 WeakPolarHBondContact O-CB 3.48Å; F611-R614 WeakPolarHBondContact O-CG 3.06Å; F611-R614 PolarHBondContact O-N 2.9Å; N612-R614 VanDerWaalsContact C-N 3.29Å; N612-R614 PolarHBondContact O-N 3.4Å; R614-N618 HydrophobicContact CB-CB 4.46Å; R614-I619 HydrophobicContact CB-CG1 4.34Å
615T87.6Confident86.8Confident66 Ų6671.3 Ų71.341%0.40537%0.365SS..  trans-87.8160.5172.7720000112V617 N618 I619T615-V617 PolarHBondContact O-N 3.13Å; T615-V617 VanDerWaalsContact O-N 3.16Å; T615-V617 PolarHBondContact OG1-N 2.76Å; T615-N618 WeakPolarHBondContact CB-OD1 3.49Å; T615-N618 PolarHBondContact N-OD1 2.82Å; T615-N618 PolarHBondContact O-N 3.19Å; T615-N618 VanDerWaalsContact OG1-CG 3.27Å; T615-N618 PolarHBondContact OG1-N 3.24Å; T615-N618 PolarHBondContact OG1-OD1 2.94Å; T615-I619 WeakPolarHBondContact O-CG1 3.43Å; T615-I619 PolarHBondContact O-N 3.34Å; T615-I619 VanDerWaalsContact O-N 3.07Å
616N86.9Confident86.6Confident57 Ų5771.7 Ų71.731%0.30537%0.367SS..Hα-helixtrans-55.4-31172.5-64.6-1.9000112.4W602 S603 K606 K620W602-N616 HydrophobicContact CB-CB 4.05Å; S603-N616 PolarHBondContact OG-ND2 3.4Å; K606-N616 VanDerWaalsContact CD-OD1 3.28Å; K606-N616 WeakPolarHBondContact CD-OD1 3.4Å; N616-K620 WeakPolarHBondContact O-CB 3.36Å; N616-K620 PolarHBondContact O-N 3.44Å
617V85.7Confident86.3Confident107 Ų10771.5 Ų71.565%0.64837%0.367SS*.Hα-helixtrans-67.9-44175.8-176.80000110.7T615 I619 K620 D621T615-V617 PolarHBondContact O-N 3.13Å; T615-V617 VanDerWaalsContact O-N 3.16Å; T615-V617 PolarHBondContact OG1-N 2.76Å; V617-I619 VanDerWaalsContact C-N 3.32Å; V617-I619 PolarHBondContact O-N 3.15Å; V617-K620 PolarHBondContact O-N 3.19Å; V617-D621 WeakPolarHBondContact O-CB 3.22Å; V617-D621 PolarHBondContact O-N 3.01Å
618N88.1Confident85.7Confident70 Ų7073.9 Ų73.937%0.37437%0.367SS..Hα-helixtrans-63.3-39.9176.4-53.3121.3000111.7W582 R614 T615 D621 R622W582-N618 HydrophobicContact CZ2-CB 4.09Å; W582-N618 WeakPolarHBondContact CZ2-O 3.35Å; R614-N618 HydrophobicContact CB-CB 4.46Å; T615-N618 WeakPolarHBondContact CB-OD1 3.49Å; T615-N618 PolarHBondContact N-OD1 2.82Å; T615-N618 PolarHBondContact O-N 3.19Å; T615-N618 VanDerWaalsContact OG1-CG 3.27Å; T615-N618 PolarHBondContact OG1-N 3.24Å; T615-N618 PolarHBondContact OG1-OD1 2.94Å; N618-D621 PolarHBondContact O-N 2.71Å; N618-R622 VanDerWaalsContact O-CB 3.31Å; N618-R622 WeakPolarHBondContact O-CB 3.4Å; N618-R622 PolarHBondContact O-N 3.16Å
619I90.8Very high85.1Confident0 Ų075.3 Ų75.30%038%0.376CS..Hα-helixtrans-63.9-48.4178.4-65.7170.7000110.3W582 L590 W602 I605 K606 F611 R614 T615 V617 D621 W623W582-I619 HydrophobicContact CH2-CG1 4.15Å; L590-I619 HydrophobicContact CD1-CG2 3.56Å; W602-I619 HydrophobicContact CD2-CG2 4.46Å; W602-I619 HydrophobicContact CE3-CG2 3.66Å; W602-I619 HydrophobicContact CZ3-CG2 4.32Å; I605-I619 HydrophobicContact CG2-CG2 4.44Å; K606-I619 HydrophobicContact CB-CD1 3.73Å; K606-I619 HydrophobicContact CD-CD1 4.24Å; K606-I619 HydrophobicContact CG-CD1 4.08Å; F611-I619 HydrophobicContact CD2-CD1 3.82Å; F611-I619 HydrophobicContact CE2-CD1 4.18Å; F611-I619 HydrophobicContact CG-CD1 4.24Å; R614-I619 HydrophobicContact CB-CG1 4.34Å; T615-I619 WeakPolarHBondContact O-CG1 3.43Å; T615-I619 PolarHBondContact O-N 3.34Å; T615-I619 VanDerWaalsContact O-N 3.07Å; V617-I619 VanDerWaalsContact C-N 3.32Å; V617-I619 PolarHBondContact O-N 3.15Å; I619-D621 PolarHBondContact O-N 3.13Å; I619-W623 PolarHBondContact O-N 3.35Å; I619-W623 VanDerWaalsContact O-N 3.09Å
620K90.8Very high84.3Confident109 Ų10983.4 Ų83.447%0.47441%0.411SS..Hα-helixtrans-57.2-45.8173.6179.2-178.6176.9-178.10112W602 N616 V617 W623 R624W602-K620 HydrophobicContact CD2-CB 4.06Å; W602-K620 HydrophobicContact CG-CB 4.23Å; W602-K620 HydrophobicContact CZ2-CB 4.29Å; W602-K620 HydrophobicContact CZ2-CG 4.14Å; N616-K620 WeakPolarHBondContact O-CB 3.36Å; N616-K620 PolarHBondContact O-N 3.44Å; V617-K620 PolarHBondContact O-N 3.19Å; K620-W623 PolarHBondContact O-N 3.39Å; K620-R624 WeakPolarHBondContact O-CG 3.12Å; K620-R624 PolarHBondContact O-N 2.96Å
621D86.5Confident83.1Confident86 Ų8682.9 Ų82.946%0.4640%0.404SS..Hα-helixtrans-72.3-39.8-175.4-159.455.2000112.1V617 N618 I619 W623 R624 T625V617-D621 WeakPolarHBondContact O-CB 3.22Å; V617-D621 PolarHBondContact O-N 3.01Å; N618-D621 PolarHBondContact O-N 2.71Å; I619-D621 PolarHBondContact O-N 3.13Å; D621-W623 VanDerWaalsContact C-N 3.31Å; D621-W623 PolarHBondContact O-N 3.06Å; D621-R624 WeakPolarHBondContact O-CB 3.43Å; D621-R624 PolarHBondContact O-N 3.17Å; D621-R624 VanDerWaalsContact O-N 3.12Å; D621-T625 PolarHBondContact O-N 2.99Å
622R88.4Confident81.5Confident57 Ų5786.7 Ų86.722%0.21543%0.428CS..Hα-helixtrans-55.8-45.3170.3178.561.3168.3167-3.9111.5W582 T587 L590 N618 R624 T625 L626W582-R622 HydrophobicContact CD2-CB 4.18Å; W582-R622 HydrophobicContact CD2-CG 3.67Å; W582-R622 HydrophobicContact CE3-CB 4.46Å; W582-R622 HydrophobicContact CE3-CG 3.79Å; W582-R622 HydrophobicContact CG-CG 4.27Å; W582-R622 HydrophobicContact CH2-CB 3.83Å; W582-R622 HydrophobicContact CH2-CG 4.01Å; W582-R622 HydrophobicContact CZ2-CB 3.45Å; W582-R622 VanDerWaalsContact CZ2-CB 3.45Å; W582-R622 HydrophobicContact CZ2-CG 3.86Å; W582-R622 HydrophobicContact CZ3-CB 4.31Å; W582-R622 HydrophobicContact CZ3-CG 3.96Å; T587-R622 PolarHBondContact OG1-NH2 3.22Å; L590-R622 HydrophobicContact CD2-CB 3.85Å; L590-R622 HydrophobicContact CD2-CG 3.51Å; N618-R622 VanDerWaalsContact O-CB 3.31Å; N618-R622 WeakPolarHBondContact O-CB 3.4Å; N618-R622 PolarHBondContact O-N 3.16Å; R622-R624 VanDerWaalsContact C-N 3.32Å; R622-R624 PolarHBondContact O-N 2.91Å; R622-T625 PolarHBondContact O-N 2.84Å; R622-T625 PolarHBondContact O-OG1 2.68Å; R622-L626 HydrophobicContact CG-CD1 4.3Å; R622-L626 WeakPolarHBondContact O-CG 3.32Å; R622-L626 PolarHBondContact O-N 3.03Å
623W91.2Very high81.7Confident14 Ų1486 Ų865%0.05342%0.422CS..Hα-helixtrans-58.6-41.5176.6-179-105.5000112.7L590 I591 V594 E599 W602 I619 K620 D621 T625 L626 K627 V632L590-W623 HydrophobicContact CD2-CB 4.3Å; L590-W623 HydrophobicContact CG-CE3 4.19Å; I591-W623 HydrophobicContact CG1-CZ3 4.45Å; V594-W623 HydrophobicContact CB-CD2 4.47Å; V594-W623 HydrophobicContact CB-CE3 4.21Å; V594-W623 HydrophobicContact CB-CH2 3.74Å; V594-W623 HydrophobicContact CB-CZ2 4.04Å; V594-W623 HydrophobicContact CB-CZ3 3.84Å; V594-W623 HydrophobicContact CG1-CD2 4.47Å; V594-W623 HydrophobicContact CG1-CH2 3.6Å; V594-W623 HydrophobicContact CG1-CZ2 3.45Å; V594-W623 VanDerWaalsContact CG1-CZ2 3.45Å; V594-W623 HydrophobicContact CG1-CZ3 4.19Å; V594-W623 HydrophobicContact CG2-CD2 3.86Å; V594-W623 HydrophobicContact CG2-CE3 3.77Å; V594-W623 HydrophobicContact CG2-CG 4.48Å; V594-W623 HydrophobicContact CG2-CH2 4.18Å; V594-W623 HydrophobicContact CG2-CZ2 4.29Å; V594-W623 HydrophobicContact CG2-CZ3 3.93Å; E599-W623 VanDerWaalsContact OE1-CD1 3.24Å; E599-W623 PolarHBondContact OE1-NE1 3.2Å; W602-W623 HydrophobicContact CH2-CB 3.77Å; W602-W623 AromaticContact CH2-CD1 3.55Å; W602-W623 HydrophobicContact CH2-CD2 4.39Å; W602-W623 AromaticContact CH2-CG 3.62Å; W602-W623 HydrophobicContact CH2-CG 3.62Å; W602-W623 HydrophobicContact CZ3-CB 4.04Å; W602-W623 HydrophobicContact CZ3-CG 4.16Å; I619-W623 PolarHBondContact O-N 3.35Å; I619-W623 VanDerWaalsContact O-N 3.09Å; K620-W623 PolarHBondContact O-N 3.39Å; D621-W623 VanDerWaalsContact C-N 3.31Å; D621-W623 PolarHBondContact O-N 3.06Å; W623-T625 VanDerWaalsContact C-N 3.34Å; W623-T625 PolarHBondContact O-N 3.48Å; W623-L626 HydrophobicContact CE3-CD1 4.27Å; W623-L626 PolarHBondContact O-N 3.38Å; W623-K627 PolarHBondContact O-N 3.27Å; W623-K627 VanDerWaalsContact O-N 3.08Å; W623-V632 HydrophobicContact CH2-CB 3.89Å; W623-V632 HydrophobicContact CH2-CG1 3.49Å; W623-V632 VanDerWaalsContact CH2-CG1 3.49Å; W623-V632 HydrophobicContact CH2-CG2 4.45Å; W623-V632 HydrophobicContact CZ3-CB 4.03Å; W623-V632 HydrophobicContact CZ3-CG1 3.83Å; W623-V632 HydrophobicContact CZ3-CG2 4.08Å
624R88.5Confident81.9Confident149 Ų14982.5 Ų82.556%0.56241%0.407SS*.Hα-helixtrans-61-41.6173-62.117487.6-160.77.5111.6K620 D621 R622 L626 K627 N628K620-R624 WeakPolarHBondContact O-CG 3.12Å; K620-R624 PolarHBondContact O-N 2.96Å; D621-R624 WeakPolarHBondContact O-CB 3.43Å; D621-R624 PolarHBondContact O-N 3.17Å; D621-R624 VanDerWaalsContact O-N 3.12Å; R622-R624 VanDerWaalsContact C-N 3.32Å; R622-R624 PolarHBondContact O-N 2.91Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.1Å; R624-K627 PolarHBondContact O-N 3.22Å; R624-N628 WeakPolarHBondContact O-CB 3.21Å; R624-N628 PolarHBondContact O-N 3.41Å; R624-N628 PolarHBondContact O-OD1 3.03Å
625T86Confident81.7Confident57 Ų5785.5 Ų85.535%0.3542%0.424SS..Hα-helixtrans-66.7-29175.867.30000113.9D621 R622 W623 K629D621-T625 PolarHBondContact O-N 2.99Å; R622-T625 PolarHBondContact O-N 2.84Å; R622-T625 PolarHBondContact O-OG1 2.68Å; W623-T625 VanDerWaalsContact C-N 3.34Å; W623-T625 PolarHBondContact O-N 3.48Å; T625-K629 WeakPolarHBondContact O-CG 3.34Å; T625-K629 PolarHBondContact O-N 3.29Å
626L85.8Confident81.4Confident7 Ų786.6 Ų86.64%0.03743%0.425CS..Hα-helixtrans-71.5-47.1176.7-70.3170.6000111.2T587 L590 I591 R622 W623 R624 N628 K629 K630 V631 V632T587-L626 HydrophobicContact CG2-CD1 4.05Å; T587-L626 HydrophobicContact CG2-CD2 3.76Å; L590-L626 HydrophobicContact CD2-CD1 3.99Å; L590-L626 HydrophobicContact CG-CD1 4.48Å; I591-L626 HydrophobicContact CG1-CD1 4.41Å; R622-L626 HydrophobicContact CG-CD1 4.3Å; R622-L626 WeakPolarHBondContact O-CG 3.32Å; R622-L626 PolarHBondContact O-N 3.03Å; W623-L626 HydrophobicContact CE3-CD1 4.27Å; W623-L626 PolarHBondContact O-N 3.38Å; R624-L626 VanDerWaalsContact C-N 3.31Å; R624-L626 PolarHBondContact O-N 3.1Å; L626-N628 PolarHBondContact O-N 2.72Å; L626-K629 CarbonylContact O-C 3.59Å; L626-K629 PolarHBondContact O-N 3.05Å; L626-K629 VanDerWaalsContact O-N 3.15Å; L626-K630 PolarHBondContact O-N 3.04Å; L626-V631 HydrophobicContact CD2-CB 4.28Å; L626-V631 HydrophobicContact CD2-CG1 4.09Å; L626-V631 PolarHBondContact O-N 2.95Å; L626-V631 VanDerWaalsContact O-N 3.11Å; L626-V632 HydrophobicContact CB-CG2 3.96Å; L626-V632 HydrophobicContact CD1-CG2 4.39Å
627K83.1Confident81.1Confident82 Ų8288.5 Ų88.536%0.35743%0.432SS..Hα-helixtrans-57.4-47.2172-80-173.4164-178.60112.3E599 W623 R624 K629 K630E599-K627 IonicContact OE1-NZ 2.62Å; E599-K627 PolarHBondContact OE1-NZ 3.17Å; E599-K627 IonicContact OE2-NZ 2.79Å; E599-K627 PolarHBondContact OE2-NZ 2.96Å; W623-K627 PolarHBondContact O-N 3.27Å; W623-K627 VanDerWaalsContact O-N 3.08Å; R624-K627 PolarHBondContact O-N 3.22Å; K627-K629 PolarHBondContact O-N 3.3Å; K627-K630 PolarHBondContact O-N 3.1Å
628N74.6Confident80.8Confident139 Ų13987.3 Ų87.374%0.74342%0.418SS*.Hα-helixtrans-62.9-23.8179.1-71.27.8000113.1R624 L626R624-N628 WeakPolarHBondContact O-CB 3.21Å; R624-N628 PolarHBondContact O-N 3.41Å; R624-N628 PolarHBondContact O-OD1 3.03Å; L626-N628 PolarHBondContact O-N 2.72Å
629K73.5Confident80.2Confident164 Ų16488.5 Ų88.571%0.71342%0.421SS*.THydrogen-bonded Turntrans-90.83.1173.6-74.9-167.2167-141.90114.1T625 L626 K627 V631T625-K629 WeakPolarHBondContact O-CG 3.34Å; T625-K629 PolarHBondContact O-N 3.29Å; L626-K629 CarbonylContact O-C 3.59Å; L626-K629 PolarHBondContact O-N 3.05Å; L626-K629 VanDerWaalsContact O-N 3.15Å; K627-K629 PolarHBondContact O-N 3.3Å; K629-V631 HydrophobicContact CB-CG2 3.77Å; K629-V631 PolarHBondContact O-N 3.15Å
630K71.4Confident79.4Confident201 Ų20195.3 Ų95.387%0.87445%0.453SS*.THydrogen-bonded Turntrans53.931.7-172.8-55.8-176.7-179.8179.60113.8L626 K627L626-K630 PolarHBondContact O-N 3.04Å; K627-K630 PolarHBondContact O-N 3.1Å
631V60.9Low78.5Confident86 Ų8694.2 Ų94.252%0.52145%0.451SS..  trans-84.2-20.8178.11770000111.4L626 K629L626-V631 HydrophobicContact CD2-CB 4.28Å; L626-V631 HydrophobicContact CD2-CG1 4.09Å; L626-V631 PolarHBondContact O-N 2.95Å; L626-V631 VanDerWaalsContact O-N 3.11Å; K629-V631 HydrophobicContact CB-CG2 3.77Å; K629-V631 PolarHBondContact O-N 3.15Å
632V51.7Low77.7Confident88 Ų8894.9 Ų94.953%0.53345%0.451SS..  trans-1530-178.6-148.20000109.9I591 W623 L626I591-V632 HydrophobicContact CD1-CG2 3.84Å; I591-V632 HydrophobicContact CG1-CG2 3.72Å; I591-V632 HydrophobicContact CG2-CG1 4.21Å; W623-V632 HydrophobicContact CH2-CB 3.89Å; W623-V632 HydrophobicContact CH2-CG1 3.49Å; W623-V632 VanDerWaalsContact CH2-CG1 3.49Å; W623-V632 HydrophobicContact CH2-CG2 4.45Å; W623-V632 HydrophobicContact CZ3-CB 4.03Å; W623-V632 HydrophobicContact CZ3-CG1 3.83Å; W623-V632 HydrophobicContact CZ3-CG2 4.08Å; L626-V632 HydrophobicContact CB-CG2 3.96Å; L626-V632 HydrophobicContact CD1-CG2 4.39Å

Retrieved 632 of 632 residues in 111.2 ms (Link to these results)

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