A0A096LZ77_POEFO Loading...

mitogen-activated protein kinase

AlphaFold DB (A0A3B3TRZ0), UniProt , Accession A0A096LZ77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.4Very low73.9Confident235 Ų235128.8 Ų128.8100%1.15862%0.619SS**  0104.90-69.7171-177.600106.7H3M1-H3 PolarHBondContact O-N 3.26Å
2S36.7Very low75.7Confident111 Ų111123.9 Ų123.978%0.77660%0.595SS**  trans-66.9116.3173.2149.80000106.8K4S2-K4 PolarHBondContact O-N 3.01Å
3H43.6Very low77.2Confident182 Ų182125 Ų12584%0.84360%0.599SS**  trans-65101.4166.4-80-75.1000106.6M1 E5M1-H3 PolarHBondContact O-N 3.26Å; H3-E5 PolarHBondContact O-N 3.35Å; H3-E5 VanDerWaalsContact O-N 3.11Å
4K60.7Low78.2Confident150 Ų150117.4 Ų117.465%0.65256%0.562SS**  trans-60.1114.6167.2-80.3179.6178.1171.50106.6S2 R6S2-K4 PolarHBondContact O-N 3.01Å; K4-R6 PolarHBondContact O-N 3.11Å
5E72.7Confident78.7Confident189 Ų189116.1 Ų116.188%0.88356%0.56SS**PPolyproline II helixtrans-58.1131.1173-79.5-176.4159.700108.9H3H3-E5 PolarHBondContact O-N 3.35Å; H3-E5 VanDerWaalsContact O-N 3.11Å
6R84.2Confident79.2Confident129 Ų129121.1 Ų121.149%0.48758%0.578SS.*PPolyproline II helixtrans-65.3131.5177.9-179.9-179.3176.5168-2.8109.2K4 P93 A94 T95K4-R6 PolarHBondContact O-N 3.11Å; R6-P93 PolarHBondContact NH2-O 3.08Å; R6-A94 PolarHBondContact NH2-O 3.18Å; R6-T95 VanDerWaalsContact NH1-CA 3.31Å; R6-T95 VanDerWaalsContact NH2-CG2 3.34Å
7P91.5Very high79.8Confident69 Ų69116.6 Ų116.645%0.44856%0.561SS.*PPolyproline II helixtrans-67.4153.3179.627.8-34.3000111.6F9 P22P7-F9 HydrophobicContact CG-CE2 3.92Å; P7-F9 HydrophobicContact CG-CZ 4.35Å; P7-F9 VanDerWaalsContact O-CD2 3.23Å; P7-F9 WeakPolarHBondContact O-CD2 3.49Å; P7-F9 WeakPolarHBondContact O-CE2 3.23Å; P7-P22 HydrophobicContact CB-CB 4.1Å; P7-P22 HydrophobicContact CG-CB 4.25Å; P7-P22 HydrophobicContact CG-CG 4.21Å
8V95.1Very high80.6Confident89 Ų89114.6 Ų114.654%0.53956%0.557SS.*PPolyproline II helixtrans-76.4134.2169.9-178.30000108.9P22 Q23V8-P22 WeakPolarHBondContact O-CA 3.46Å; V8-Q23 HydrophobicContact CB-CG 4.31Å; V8-Q23 HydrophobicContact CG1-CG 4.29Å; V8-Q23 WeakPolarHBondContact O-CG 3.29Å; V8-Q23 PolarHBondContact O-N 3.11Å
9F97.4Very high81.4Confident37 Ų37108.7 Ų108.716%0.16253%0.528CS..EExtended strand (participates in β ladder)trans-102.8151178.3-72.5-107.8000111P7 E20 V21 P22 F91 T92 P93P7-F9 HydrophobicContact CG-CE2 3.92Å; P7-F9 HydrophobicContact CG-CZ 4.35Å; P7-F9 VanDerWaalsContact O-CD2 3.23Å; P7-F9 WeakPolarHBondContact O-CD2 3.49Å; P7-F9 WeakPolarHBondContact O-CE2 3.23Å; F9-E20 HydrophobicContact CB-CG 3.9Å; F9-E20 HydrophobicContact CD1-CG 4.12Å; F9-E20 HydrophobicContact CG-CG 4.39Å; F9-V21 CarbonylContact C-O 3.46Å; F9-V21 VanDerWaalsContact CA-O 3.29Å; F9-V21 WeakPolarHBondContact CA-O 3.48Å; F9-V21 VanDerWaalsContact CD1-C 3.43Å; F9-P22 HydrophobicContact CD1-CG 4.29Å; F9-P22 HydrophobicContact CE1-CG 3.78Å; F9-P22 HydrophobicContact CZ-CG 3.91Å; F9-F91 AromaticContact CE1-CD2 3.8Å; F9-F91 HydrophobicContact CE1-CD2 3.8Å; F9-F91 HydrophobicContact CE1-CE2 4.27Å; F9-F91 HydrophobicContact CZ-CD2 4.41Å; F9-T92 WeakPolarHBondContact CZ-O 3.23Å; F9-P93 HydrophobicContact CD1-CB 4.05Å; F9-P93 HydrophobicContact CE1-CB 4.12Å
10Y97.6Very high82.2Confident51 Ų51105.4 Ų105.420%0.251%0.511CS..EExtended strand (participates in β ladder)trans-126.9158.8168.178.3-85.1000110.5Q12 E20 V21 Q23 Y25 L28Y10-Q12 HydrophobicContact CE2-CB 4.13Å; Y10-E20 WeakPolarHBondContact O-CA 3.49Å; Y10-V21 HydrophobicContact CD1-CG2 4.05Å; Y10-V21 WeakPolarHBondContact CD1-O 3.45Å; Y10-V21 HydrophobicContact CE1-CG2 3.41Å; Y10-V21 VanDerWaalsContact CE1-CG2 3.41Å; Y10-V21 HydrophobicContact CE2-CG2 4.41Å; Y10-V21 PolarHBondContact N-O 3.14Å; Y10-V21 PolarHBondContact O-N 2.9Å; Y10-V21 VanDerWaalsContact O-N 3.08Å; Y10-Q23 HydrophobicContact CD1-CG 4.29Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.4Å; Y10-Y25 PolarHBondContact OH-O 2.82Å; Y10-L28 WeakPolarHBondContact OH-CD1 3.37Å
11R97.1Very high83Confident175 Ų175100.4 Ų100.466%0.6649%0.487SS*.EExtended strand (participates in β ladder)trans-110.7137.7-177.7-66.6179.3-179.2-167.7-9.2111.7W19 E20R11-W19 CarbonylContact C-O 3.59Å; R11-W19 VanDerWaalsContact CA-O 3.25Å; R11-W19 WeakPolarHBondContact CA-O 3.5Å; R11-E20 HydrophobicContact CG-CB 4.11Å; R11-E20 HydrophobicContact CG-CG 3.86Å; R11-E20 IonicContact CZ-OE1 3.77Å; R11-E20 IonicContact CZ-OE2 3.9Å; R11-E20 IonicContact NE-OE1 3.43Å; R11-E20 PolarHBondContact NE-OE1 2.96Å; R11-E20 IonicContact NE-OE2 3.73Å; R11-E20 PolarHBondContact NE-OE2 3.37Å; R11-E20 IonicContact NH2-OE1 2.64Å; R11-E20 PolarHBondContact NH2-OE1 3.34Å; R11-E20 IonicContact NH2-OE2 2.94Å; R11-E20 PolarHBondContact NH2-OE2 2.82Å
12Q95.8Very high85.9Confident70 Ų7089.3 Ų89.333%0.32743%0.433SS..EExtended strand (participates in β ladder)trans-144138.1174.6-173.5179.1-8.500109.8Y10 L14 W19Y10-Q12 HydrophobicContact CE2-CB 4.13Å; Q12-L14 HydrophobicContact CG-CD1 4.49Å; Q12-L14 HydrophobicContact CG-CD2 4.36Å; Q12-L14 HydrophobicContact CG-CG 4.11Å; Q12-W19 PolarHBondContact N-O 2.68Å; Q12-W19 PolarHBondContact O-N 3.38Å
13E94.8Very high88.8Confident138 Ų13888.8 Ų88.865%0.64542%0.418SS*.EExtended strand (participates in β ladder)trans-88.9122.7172.4-167.7179.3165.100110.1T17E13-T17 WeakPolarHBondContact CA-O 3.19Å
14L90.7Very high91.3Very high18 Ų1882.7 Ų82.79%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-133.5128.8179.2-67.9170.2000108.9Q12 K16 T17 W19 L28 P30Q12-L14 HydrophobicContact CG-CD1 4.49Å; Q12-L14 HydrophobicContact CG-CD2 4.36Å; Q12-L14 HydrophobicContact CG-CG 4.11Å; L14-K16 PolarHBondContact O-N 3.14Å; L14-K16 VanDerWaalsContact O-N 3.16Å; L14-T17 PolarHBondContact N-O 3.31Å; L14-T17 PolarHBondContact O-N 3.35Å; L14-T17 PolarHBondContact O-OG1 3.17Å; L14-W19 HydrophobicContact CD1-CD2 4.45Å; L14-W19 HydrophobicContact CD1-CG 4.24Å; L14-L28 HydrophobicContact CD1-CB 3.59Å; L14-L28 HydrophobicContact CD1-CD2 3.83Å; L14-L28 HydrophobicContact CD1-CG 4.33Å; L14-P30 HydrophobicContact CD2-CG 4.25Å
15N85.6Confident93Very high99 Ų9975.6 Ų75.653%0.52936%0.357SS..THydrogen-bonded Turntrans48.142.7-179.2-69.1-11.8000114T17 P30N15-T17 PolarHBondContact O-N 3.44Å; N15-P30 WeakPolarHBondContact ND2-CB 3.4Å
16K86.7Confident94.2Very high195 Ų19569.2 Ų69.285%0.84833%0.327SS*.THydrogen-bonded Turntrans63.919.8-178.2-47.1177-178.3177.70114.5L14L14-K16 PolarHBondContact O-N 3.14Å; L14-K16 VanDerWaalsContact O-N 3.16Å
17T89.4Confident94.8Very high46 Ų4669.2 Ų69.228%0.28234%0.336SS..EExtended strand (participates in β ladder)trans-122137.4174.458.40000109E13 L14 N15 W19E13-T17 WeakPolarHBondContact CA-O 3.19Å; L14-T17 PolarHBondContact N-O 3.31Å; L14-T17 PolarHBondContact O-N 3.35Å; L14-T17 PolarHBondContact O-OG1 3.17Å; N15-T17 PolarHBondContact O-N 3.44Å; T17-W19 PolarHBondContact OG1-NE1 3.35Å
18V94.5Very high95Very high80 Ų8066.4 Ų66.449%0.48532%0.318SS..EExtended strand (participates in β ladder)trans-82.3123.8174.2-178.80000108.4K55V18-K55 PolarHBondContact O-NZ 3.4Å
19W97.1Very high95Very high2 Ų265.1 Ų65.11%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-102.6130.7173.9-71.861.8000108.7R11 Q12 L14 T17 V21 L28 S38 C40 V53 K55 Y104R11-W19 CarbonylContact C-O 3.59Å; R11-W19 VanDerWaalsContact CA-O 3.25Å; R11-W19 WeakPolarHBondContact CA-O 3.5Å; Q12-W19 PolarHBondContact N-O 2.68Å; Q12-W19 PolarHBondContact O-N 3.38Å; L14-W19 HydrophobicContact CD1-CD2 4.45Å; L14-W19 HydrophobicContact CD1-CG 4.24Å; T17-W19 PolarHBondContact OG1-NE1 3.35Å; W19-V21 HydrophobicContact CB-CG1 4.44Å; W19-V21 HydrophobicContact CE3-CG1 4.15Å; W19-L28 HydrophobicContact CB-CD2 4.47Å; W19-L28 HydrophobicContact CD2-CD2 4.3Å; W19-L28 HydrophobicContact CE3-CD2 3.75Å; W19-L28 HydrophobicContact CZ3-CD2 4.39Å; W19-S38 WeakPolarHBondContact CH2-O 3.5Å; W19-S38 WeakPolarHBondContact CZ2-O 3.08Å; W19-C40 HydrophobicContact CH2-CB 3.97Å; W19-C40 VanDerWaalsContact CH2-SG 3.57Å; W19-C40 HydrophobicContact CZ2-CB 4.47Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.4Å; W19-C40 HydrophobicContact CZ3-CB 4.11Å; W19-V53 HydrophobicContact CE3-CG1 4.5Å; W19-V53 VanDerWaalsContact CH2-O 3.26Å; W19-V53 WeakPolarHBondContact CH2-O 3.41Å; W19-V53 HydrophobicContact CZ3-CB 4.1Å; W19-V53 HydrophobicContact CZ3-CG1 3.82Å; W19-V53 WeakPolarHBondContact CZ3-O 3.37Å; W19-K55 HydrophobicContact CD2-CB 4.37Å; W19-K55 HydrophobicContact CE3-CB 4.32Å; W19-K55 HydrophobicContact CH2-CB 3.75Å; W19-K55 HydrophobicContact CZ2-CB 3.79Å; W19-K55 HydrophobicContact CZ3-CB 4.02Å; W19-Y104 HydrophobicContact CD2-CE1 4.16Å; W19-Y104 HydrophobicContact CE3-CD1 4.11Å; W19-Y104 AromaticContact CE3-CE1 3.66Å; W19-Y104 HydrophobicContact CE3-CE1 3.66Å; W19-Y104 HydrophobicContact CZ3-CD1 4.2Å; W19-Y104 HydrophobicContact CZ3-CE1 4.15Å
20E97.4Very high94.8Very high42 Ų4265.8 Ų65.820%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-122.9104.5173.4-170.8163.6-152.800107.8F9 Y10 R11 P93 Y104F9-E20 HydrophobicContact CB-CG 3.9Å; F9-E20 HydrophobicContact CD1-CG 4.12Å; F9-E20 HydrophobicContact CG-CG 4.39Å; Y10-E20 WeakPolarHBondContact O-CA 3.49Å; R11-E20 HydrophobicContact CG-CB 4.11Å; R11-E20 HydrophobicContact CG-CG 3.86Å; R11-E20 IonicContact CZ-OE1 3.77Å; R11-E20 IonicContact CZ-OE2 3.9Å; R11-E20 IonicContact NE-OE1 3.43Å; R11-E20 PolarHBondContact NE-OE1 2.96Å; R11-E20 IonicContact NE-OE2 3.73Å; R11-E20 PolarHBondContact NE-OE2 3.37Å; R11-E20 IonicContact NH2-OE1 2.64Å; R11-E20 PolarHBondContact NH2-OE1 3.34Å; R11-E20 IonicContact NH2-OE2 2.94Å; R11-E20 PolarHBondContact NH2-OE2 2.82Å; E20-P93 HydrophobicContact CB-CB 4.07Å; E20-P93 HydrophobicContact CB-CG 4.17Å; E20-P93 HydrophobicContact CG-CB 3.69Å; E20-P93 HydrophobicContact CG-CG 4.33Å; E20-Y104 PolarHBondContact N-OH 3.45Å; E20-Y104 VanDerWaalsContact N-OH 3.11Å
21V97.6Very high94.3Very high1 Ų167.7 Ų67.71%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-128.3152.3-169.6-57.10000111.4F9 Y10 W19 L28 F91 Y104F9-V21 CarbonylContact C-O 3.46Å; F9-V21 VanDerWaalsContact CA-O 3.29Å; F9-V21 WeakPolarHBondContact CA-O 3.48Å; F9-V21 VanDerWaalsContact CD1-C 3.43Å; Y10-V21 HydrophobicContact CD1-CG2 4.05Å; Y10-V21 WeakPolarHBondContact CD1-O 3.45Å; Y10-V21 HydrophobicContact CE1-CG2 3.41Å; Y10-V21 VanDerWaalsContact CE1-CG2 3.41Å; Y10-V21 HydrophobicContact CE2-CG2 4.41Å; Y10-V21 PolarHBondContact N-O 3.14Å; Y10-V21 PolarHBondContact O-N 2.9Å; Y10-V21 VanDerWaalsContact O-N 3.08Å; W19-V21 HydrophobicContact CB-CG1 4.44Å; W19-V21 HydrophobicContact CE3-CG1 4.15Å; V21-L28 HydrophobicContact CG1-CD2 4.16Å; V21-L28 HydrophobicContact CG2-CD1 4.15Å; V21-L28 HydrophobicContact CG2-CD2 4.14Å; V21-F91 HydrophobicContact CB-CE2 4.1Å; V21-F91 HydrophobicContact CB-CZ 3.94Å; V21-F91 HydrophobicContact CG1-CE2 3.97Å; V21-F91 HydrophobicContact CG1-CZ 3.81Å; V21-Y104 HydrophobicContact CG1-CD1 4.25Å; V21-Y104 HydrophobicContact CG1-CE1 4.05Å
22P97.9Very high93.4Very high2 Ų261 Ų611%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-56144173.3-28.836.4000112.7P7 V8 F9 R24 Y25 F91P7-P22 HydrophobicContact CB-CB 4.1Å; P7-P22 HydrophobicContact CG-CB 4.25Å; P7-P22 HydrophobicContact CG-CG 4.21Å; V8-P22 WeakPolarHBondContact O-CA 3.46Å; F9-P22 HydrophobicContact CD1-CG 4.29Å; F9-P22 HydrophobicContact CE1-CG 3.78Å; F9-P22 HydrophobicContact CZ-CG 3.91Å; P22-R24 HydrophobicContact CB-CG 4.1Å; P22-R24 PolarHBondContact O-N 2.65Å; P22-Y25 HydrophobicContact CB-CD2 4.08Å; P22-Y25 HydrophobicContact CB-CE2 4.31Å; P22-Y25 HydrophobicContact CG-CD2 4.2Å; P22-Y25 HydrophobicContact CG-CE2 4.18Å; P22-Y25 PolarHBondContact O-N 3.15Å; P22-F91 VanDerWaalsContact CD-CZ 3.49Å; P22-F91 HydrophobicContact CG-CD1 4.18Å; P22-F91 HydrophobicContact CG-CD2 4.13Å; P22-F91 HydrophobicContact CG-CE1 4.37Å; P22-F91 HydrophobicContact CG-CE2 4.33Å; P22-F91 HydrophobicContact CG-CG 4.05Å; P22-F91 HydrophobicContact CG-CZ 4.44Å
23Q96.8Very high92.2Very high101 Ų10162.2 Ų62.247%0.47234%0.339SS..THydrogen-bonded Turntrans-58.5-17178.3-77.1-178.3-1900114.6V8 Y10 Y25 Q26V8-Q23 HydrophobicContact CB-CG 4.31Å; V8-Q23 HydrophobicContact CG1-CG 4.29Å; V8-Q23 WeakPolarHBondContact O-CG 3.29Å; V8-Q23 PolarHBondContact O-N 3.11Å; Y10-Q23 HydrophobicContact CD1-CG 4.29Å; Q23-Y25 PolarHBondContact O-N 2.81Å; Q23-Q26 PolarHBondContact O-NE2 3.22Å
24R96.2Very high90.9Very high54 Ų5458.2 Ų58.220%0.20434%0.335CS..THydrogen-bonded Turntrans-65.5-25.1173.872.3-175.4-83.3-160.3-0.5113.4P22 D44 E45 D89P22-R24 HydrophobicContact CB-CG 4.1Å; P22-R24 PolarHBondContact O-N 2.65Å; R24-D44 IonicContact CZ-OD1 3.49Å; R24-D44 IonicContact CZ-OD2 3.4Å; R24-D44 IonicContact NE-OD1 3.07Å; R24-D44 PolarHBondContact NE-OD1 3.26Å; R24-D44 IonicContact NE-OD2 2.97Å; R24-D44 VanDerWaalsContact NH2-CG 3.28Å; R24-D44 IonicContact NH2-OD1 3.26Å; R24-D44 PolarHBondContact NH2-OD1 3.35Å; R24-D44 VanDerWaalsContact NH2-OD1 3.15Å; R24-D44 IonicContact NH2-OD2 3.85Å; R24-D44 PolarHBondContact NH2-OD2 2.69Å; R24-E45 PolarHBondContact O-N 2.89Å; R24-D89 IonicContact CZ-OD2 3.18Å; R24-D89 IonicContact NH1-OD2 3.72Å; R24-D89 PolarHBondContact NH1-OD2 2.68Å
25Y97.9Very high89.5Confident0 Ų061.1 Ų61.10%036%0.361CS..EExtended strand (participates in β ladder)trans-96.5104.8-177.6-61.1-61.8000109.1Y10 P22 Q23 D44 V51 D89 F91 V106Y10-Y25 WeakPolarHBondContact CE1-O 3.4Å; Y10-Y25 PolarHBondContact OH-O 2.82Å; P22-Y25 HydrophobicContact CB-CD2 4.08Å; P22-Y25 HydrophobicContact CB-CE2 4.31Å; P22-Y25 HydrophobicContact CG-CD2 4.2Å; P22-Y25 HydrophobicContact CG-CE2 4.18Å; P22-Y25 PolarHBondContact O-N 3.15Å; Q23-Y25 PolarHBondContact O-N 2.81Å; Y25-D44 HydrophobicContact CD1-CB 4.01Å; Y25-D44 HydrophobicContact CE1-CB 3.91Å; Y25-V51 HydrophobicContact CD1-CG2 3.93Å; Y25-V51 HydrophobicContact CE1-CG2 4.04Å; Y25-D89 WeakPolarHBondContact OH-CB 3.42Å; Y25-D89 VanDerWaalsContact OH-CG 3.27Å; Y25-D89 PolarHBondContact OH-OD2 2.96Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.34Å; Y25-F91 HydrophobicContact CE2-CD1 4.02Å; Y25-F91 AromaticContact CE2-CE1 3.55Å; Y25-F91 HydrophobicContact CE2-CE1 3.55Å; Y25-F91 HydrophobicContact CE2-CZ 4.38Å; Y25-V106 HydrophobicContact CE1-CG1 3.93Å; Y25-V106 HydrophobicContact CE1-CG2 4.36Å; Y25-V106 HydrophobicContact CE2-CG2 4.16Å
26Q97.5Very high88.5Confident56 Ų5659 Ų5926%0.26235%0.346SS..EExtended strand (participates in β ladder)trans-107.9165.3-176.5-67.8-61.2-28.800111.9Q23 L28 A42 F43 E45Q23-Q26 PolarHBondContact O-NE2 3.22Å; Q26-L28 PolarHBondContact O-N 3.02Å; Q26-A42 WeakPolarHBondContact O-CA 3.23Å; Q26-F43 PolarHBondContact N-O 2.69Å; Q26-F43 PolarHBondContact O-N 3.2Å; Q26-E45 HydrophobicContact CB-CG 4.49Å; Q26-E45 HydrophobicContact CG-CG 3.95Å; Q26-E45 WeakPolarHBondContact CG-OE1 3.43Å
27N95.9Very high88.1Confident128 Ų12849.9 Ų49.968%0.68431%0.308SS*.EExtended strand (participates in β ladder)trans56.443.9172.9-54.9-45.4000113.8S29N27-S29 PolarHBondContact O-N 2.71Å; N27-S29 VanDerWaalsContact O-N 3.14Å
28L96.8Very high88.1Confident11 Ų1148.5 Ų48.56%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-58120.9178.5-91.269.2000110.9Y10 L14 W19 V21 Q26 C40 S41 A42Y10-L28 WeakPolarHBondContact OH-CD1 3.37Å; L14-L28 HydrophobicContact CD1-CB 3.59Å; L14-L28 HydrophobicContact CD1-CD2 3.83Å; L14-L28 HydrophobicContact CD1-CG 4.33Å; W19-L28 HydrophobicContact CB-CD2 4.47Å; W19-L28 HydrophobicContact CD2-CD2 4.3Å; W19-L28 HydrophobicContact CE3-CD2 3.75Å; W19-L28 HydrophobicContact CZ3-CD2 4.39Å; V21-L28 HydrophobicContact CG1-CD2 4.16Å; V21-L28 HydrophobicContact CG2-CD1 4.15Å; V21-L28 HydrophobicContact CG2-CD2 4.14Å; Q26-L28 PolarHBondContact O-N 3.02Å; L28-C40 HydrophobicContact CB-CB 4.39Å; L28-C40 HydrophobicContact CD2-CB 4.43Å; L28-C40 HydrophobicContact CG-CB 4.25Å; L28-S41 CarbonylContact C-O 3.51Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.47Å; L28-A42 HydrophobicContact CD1-CB 3.71Å; L28-A42 HydrophobicContact CG-CB 4.18Å
29S94.9Very high87.9Confident62 Ų6246.7 Ų46.743%0.43429%0.289SS..EExtended strand (participates in β ladder)trans-127.7124.6177.1179.60000110.2N27 V31 C40 S41N27-S29 PolarHBondContact O-N 2.71Å; N27-S29 VanDerWaalsContact O-N 3.14Å; S29-V31 PolarHBondContact O-N 3.36Å; S29-C40 CarbonylContact O-C 3.35Å; S29-C40 VanDerWaalsContact O-CA 3.28Å; S29-C40 WeakPolarHBondContact O-CA 3.36Å; S29-S41 PolarHBondContact N-O 3.33Å; S29-S41 PolarHBondContact O-N 3.47Å; S29-S41 PolarHBondContact O-OG 3.42Å; S29-S41 VanDerWaalsContact O-OG 3.09Å
30P93.2Very high87.8Confident50 Ų5046.7 Ų46.733%0.32529%0.289SS..EExtended strand (participates in β ladder)trans-57.7135.2178.8-23.933.6000112.9L14 N15L14-P30 HydrophobicContact CD2-CG 4.25Å; N15-P30 WeakPolarHBondContact ND2-CB 3.4Å
31V86.4Confident87.7Confident92 Ų9245.9 Ų45.956%0.55829%0.288SS*.EExtended strand (participates in β ladder)trans-114.9-41.5177.8177.60000110.8S29 V39 L109S29-V31 PolarHBondContact O-N 3.36Å; V31-V39 PolarHBondContact N-O 3.09Å; V31-L109 HydrophobicContact CG2-CD1 4.47Å
32G78.4Confident87.7Confident34 Ų3446 Ų4635%0.35129%0.29SS..EExtended strand (participates in β ladder)trans-162.2161.1-178.600000112.9V39G32-V39 PolarHBondContact N-O 2.81Å; G32-V39 PolarHBondContact O-N 3.31Å
33S71.5Confident87.6Confident96 Ų9649.8 Ų49.867%0.67131%0.306SS*.EExtended strand (participates in β ladder)trans-137.5130.5173.559.80000109.3
34G66.3Low87.6Confident53 Ų5345 Ų4555%0.54628%0.284SS..EExtended strand (participates in β ladder)trans-132.6-179.1178.100000112Y36 G37G34-Y36 PolarHBondContact O-N 3.08Å; G34-G37 PolarHBondContact N-O 2.96Å; G34-G37 PolarHBondContact O-N 3.18Å
35A61Low87.6Confident79 Ų7948.4 Ų48.465%0.65330%0.302SS*.THydrogen-bonded Turntrans-58.3-22179.100000113.6
36Y64.9Low87.3Confident55 Ų5554.8 Ų54.822%0.21633%0.329CS..THydrogen-bonded Turntrans-111.7-0.7-169-47.9-56.5000113.9G34 S57 R68 Y183G34-Y36 PolarHBondContact O-N 3.08Å; Y36-S57 PolarHBondContact O-N 2.79Å; Y36-R68 VanDerWaalsContact CD2-NH2 3.28Å; Y36-R68 VanDerWaalsContact CZ-CZ 3.49Å; Y36-R68 VanDerWaalsContact CZ-NH2 3.27Å; Y36-R68 PolarHBondContact OH-NH1 3.46Å; Y36-Y183 PolarHBondContact OH-OH 2.59Å; Y36-Y183 VanDerWaalsContact OH-OH 3.13Å
37G78.5Confident86.9Confident4 Ų453.9 Ų53.94%0.04133%0.328CS..EExtended strand (participates in β ladder)trans161171.4-17800000113.6G34 K55 S57G34-G37 PolarHBondContact N-O 2.96Å; G34-G37 PolarHBondContact O-N 3.18Å; G37-K55 CarbonylContact C-O 3.57Å; G37-K55 WeakPolarHBondContact CA-O 3.46Å; G37-S57 WeakPolarHBondContact CA-OG 3.46Å
38S88.4Confident86.7Confident17 Ų1750 Ų5012%0.11932%0.317CS..EExtended strand (participates in β ladder)trans-109.4138.6171.2-64.40000108.4W19 K54 K55W19-S38 WeakPolarHBondContact CH2-O 3.5Å; W19-S38 WeakPolarHBondContact CZ2-O 3.08Å; S38-K54 WeakPolarHBondContact O-CA 3.42Å; S38-K55 PolarHBondContact N-O 2.89Å; S38-K55 PolarHBondContact O-N 3.47Å
39V91.6Very high86.4Confident42 Ų4251.9 Ų51.926%0.25533%0.328SS..EExtended strand (participates in β ladder)trans-116.4128.3-179.4-175.80000109.1V31 G32 A52 V53 K54V31-V39 PolarHBondContact N-O 3.09Å; G32-V39 PolarHBondContact N-O 2.81Å; G32-V39 PolarHBondContact O-N 3.31Å; V39-A52 HydrophobicContact CG1-CB 4.11Å; V39-V53 WeakPolarHBondContact CA-O 3.37Å; V39-K54 HydrophobicContact CG2-CB 4.11Å; V39-K54 HydrophobicContact CG2-CD 4.48Å; V39-K54 HydrophobicContact CG2-CG 3.99Å
40C94.7Very high86.4Confident2 Ų256.3 Ų56.31%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-115.5143.7168.8-64.10000109.5W19 L28 S29 A52 V53W19-C40 HydrophobicContact CH2-CB 3.97Å; W19-C40 VanDerWaalsContact CH2-SG 3.57Å; W19-C40 HydrophobicContact CZ2-CB 4.47Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.4Å; W19-C40 HydrophobicContact CZ3-CB 4.11Å; L28-C40 HydrophobicContact CB-CB 4.39Å; L28-C40 HydrophobicContact CD2-CB 4.43Å; L28-C40 HydrophobicContact CG-CB 4.25Å; S29-C40 CarbonylContact O-C 3.35Å; S29-C40 VanDerWaalsContact O-CA 3.28Å; S29-C40 WeakPolarHBondContact O-CA 3.36Å; C40-A52 CarbonylContact O-C 3.57Å; C40-V53 PolarHBondContact N-O 3.25Å; C40-V53 PolarHBondContact O-N 2.95Å
41S95.3Very high86.4Confident24 Ų2453.9 Ų53.917%0.16832%0.323CS..EExtended strand (participates in β ladder)trans-74.7148.5158.857.30000109L28 S29 V51L28-S41 CarbonylContact C-O 3.51Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.47Å; S29-S41 PolarHBondContact N-O 3.33Å; S29-S41 PolarHBondContact O-N 3.47Å; S29-S41 PolarHBondContact O-OG 3.42Å; S29-S41 VanDerWaalsContact O-OG 3.09Å; S41-V51 CarbonylContact C-O 3.6Å; S41-V51 VanDerWaalsContact CA-O 3.28Å; S41-V51 WeakPolarHBondContact CA-O 3.38Å
42A97.1Very high86.8Confident5 Ų550.1 Ų50.14%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-145.7160.7171.900000109.8Q26 L28 K50 V51 V53Q26-A42 WeakPolarHBondContact O-CA 3.23Å; L28-A42 HydrophobicContact CD1-CB 3.71Å; L28-A42 HydrophobicContact CG-CB 4.18Å; A42-K50 WeakPolarHBondContact O-CA 3.1Å; A42-V51 HydrophobicContact CB-CG2 4.05Å; A42-V51 PolarHBondContact N-O 3.45Å; A42-V51 PolarHBondContact O-N 3.43Å; A42-V53 HydrophobicContact CB-CG2 3.98Å
43F97.1Very high87.6Confident81 Ų8148.5 Ų48.536%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-97.3123.9167.3-176-103.3000108.7Q26 E45 G48Q26-F43 PolarHBondContact N-O 2.69Å; Q26-F43 PolarHBondContact O-N 3.2Å; F43-E45 HydrophobicContact CD1-CG 4.06Å; F43-E45 HydrophobicContact CE1-CG 4.27Å; F43-G48 VanDerWaalsContact CE2-O 3.23Å; F43-G48 WeakPolarHBondContact CE2-O 3.4Å
44D96.6Very high88.7Confident1 Ų145.9 Ų45.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-92.2102.5177.91799000110.1R24 Y25 K46 T47 G48 L49 V51R24-D44 IonicContact CZ-OD1 3.49Å; R24-D44 IonicContact CZ-OD2 3.4Å; R24-D44 IonicContact NE-OD1 3.07Å; R24-D44 PolarHBondContact NE-OD1 3.26Å; R24-D44 IonicContact NE-OD2 2.97Å; R24-D44 VanDerWaalsContact NH2-CG 3.28Å; R24-D44 IonicContact NH2-OD1 3.26Å; R24-D44 PolarHBondContact NH2-OD1 3.35Å; R24-D44 VanDerWaalsContact NH2-OD1 3.15Å; R24-D44 IonicContact NH2-OD2 3.85Å; R24-D44 PolarHBondContact NH2-OD2 2.69Å; Y25-D44 HydrophobicContact CD1-CB 4.01Å; Y25-D44 HydrophobicContact CE1-CB 3.91Å; D44-K46 PolarHBondContact O-N 3.35Å; D44-K46 VanDerWaalsContact O-N 3.11Å; D44-K46 WeakPolarHBondContact OD1-CB 3.41Å; D44-K46 PolarHBondContact OD1-N 3.44Å; D44-T47 WeakPolarHBondContact CB-OG1 3.39Å; D44-T47 PolarHBondContact O-N 2.81Å; D44-T47 VanDerWaalsContact O-N 3.14Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.34Å; D44-T47 PolarHBondContact OD2-OG1 2.94Å; D44-G48 WeakPolarHBondContact O-CA 3.46Å; D44-G48 PolarHBondContact O-N 3.47Å; D44-L49 PolarHBondContact N-O 3.26Å; D44-V51 HydrophobicContact CB-CG1 4.03Å; D44-V51 HydrophobicContact CB-CG2 4.24Å
45E95.6Very high90.1Very high124 Ų12444.7 Ų44.758%0.57924%0.241SC*.THydrogen-bonded Turntrans-63.3-19.6-175.8-65.6-172.8143.200113.5R24 Q26 F43R24-E45 PolarHBondContact O-N 2.89Å; Q26-E45 HydrophobicContact CB-CG 4.49Å; Q26-E45 HydrophobicContact CG-CG 3.95Å; Q26-E45 WeakPolarHBondContact CG-OE1 3.43Å; F43-E45 HydrophobicContact CD1-CG 4.06Å; F43-E45 HydrophobicContact CE1-CG 4.27Å
46K91.6Very high91.6Very high134 Ų13441.2 Ų41.258%0.58321%0.212SC*.THydrogen-bonded Turntrans-76.6-36.7177.8-173.1-175.6175.4-167.90111.9D44D44-K46 PolarHBondContact O-N 3.35Å; D44-K46 VanDerWaalsContact O-N 3.11Å; D44-K46 WeakPolarHBondContact OD1-CB 3.41Å; D44-K46 PolarHBondContact OD1-N 3.44Å
47T90.2Very high92.7Very high38 Ų3841.2 Ų41.223%0.23322%0.22CC..THydrogen-bonded Turntrans-107.7-15.5-171.863.30000112.7D44 L49 L354D44-T47 WeakPolarHBondContact CB-OG1 3.39Å; D44-T47 PolarHBondContact O-N 2.81Å; D44-T47 VanDerWaalsContact O-N 3.14Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.34Å; D44-T47 PolarHBondContact OD2-OG1 2.94Å; T47-L49 PolarHBondContact O-N 3.03Å; T47-L49 PolarHBondContact OG1-N 3.16Å; T47-L354 HydrophobicContact CG2-CD2 3.25Å
48G91.4Very high93.1Very high45 Ų4550 Ų5046%0.46425%0.252SS..THydrogen-bonded Turntrans73.84.8-173.400000113.5F43 D44F43-G48 VanDerWaalsContact CE2-O 3.23Å; F43-G48 WeakPolarHBondContact CE2-O 3.4Å; D44-G48 WeakPolarHBondContact O-CA 3.46Å; D44-G48 PolarHBondContact O-N 3.47Å
49L90.6Very high93.3Very high52 Ų5249.4 Ų49.427%0.27225%0.248SC..EExtended strand (participates in β ladder)trans-95.8150.2-173.9-59.9176.7000112.2D44 T47 V51 M358D44-L49 PolarHBondContact N-O 3.26Å; T47-L49 PolarHBondContact O-N 3.03Å; T47-L49 PolarHBondContact OG1-N 3.16Å; L49-V51 HydrophobicContact CB-CG1 4.5Å; L49-M358 HydrophobicContact CD1-SD 4.48Å; L49-M358 HydrophobicContact CD2-SD 4.28Å
50K93.2Very high93.5Very high154 Ų15448.7 Ų48.767%0.6724%0.241SC*.EExtended strand (participates in β ladder)trans-80129.1162.8-69.9-177.8-177171.20109.2A42 L109A42-K50 WeakPolarHBondContact O-CA 3.1Å; K50-L109 HydrophobicContact CB-CB 4.23Å; K50-L109 HydrophobicContact CB-CD2 3.83Å; K50-L109 HydrophobicContact CD-CD2 4.28Å; K50-L109 WeakPolarHBondContact O-CB 3.16Å; K50-L109 PolarHBondContact O-N 3.12Å
51V94.9Very high93.4Very high0 Ų053.3 Ų53.30%026%0.262CS..EExtended strand (participates in β ladder)trans-123.5155.6-176.1-61.60000111.2Y25 S41 A42 D44 L49 V53 L88 V106 T107Y25-V51 HydrophobicContact CD1-CG2 3.93Å; Y25-V51 HydrophobicContact CE1-CG2 4.04Å; S41-V51 CarbonylContact C-O 3.6Å; S41-V51 VanDerWaalsContact CA-O 3.28Å; S41-V51 WeakPolarHBondContact CA-O 3.38Å; A42-V51 HydrophobicContact CB-CG2 4.05Å; A42-V51 PolarHBondContact N-O 3.45Å; A42-V51 PolarHBondContact O-N 3.43Å; D44-V51 HydrophobicContact CB-CG1 4.03Å; D44-V51 HydrophobicContact CB-CG2 4.24Å; L49-V51 HydrophobicContact CB-CG1 4.5Å; V51-V53 HydrophobicContact CG2-CG2 4.11Å; V51-L88 HydrophobicContact CG1-CD1 3.84Å; V51-V106 HydrophobicContact CB-CG1 3.71Å; V51-V106 HydrophobicContact CG1-CG1 4.1Å; V51-V106 HydrophobicContact CG2-CG1 3.81Å; V51-T107 CarbonylContact C-O 3.6Å; V51-T107 WeakPolarHBondContact CA-O 3.41Å; V51-T107 WeakPolarHBondContact CB-O 3.44Å
52A94.3Very high93.3Very high12 Ų1254 Ų5410%0.09927%0.267CS..EExtended strand (participates in β ladder)trans-98.4121.3166.800000108.9V39 C40 V106 T107 L109V39-A52 HydrophobicContact CG1-CB 4.11Å; C40-A52 CarbonylContact O-C 3.57Å; A52-V106 WeakPolarHBondContact O-CA 3.23Å; A52-T107 PolarHBondContact N-O 3.46Å; A52-T107 PolarHBondContact O-N 3.43Å; A52-L109 HydrophobicContact CB-CD1 4.05Å
53V95.8Very high93.1Very high0 Ų057.3 Ų57.30%028%0.283CS..EExtended strand (participates in β ladder)trans-105115.6174.6-170.90000108.2W19 V39 C40 A42 V51 F91 Y104 L105 V106W19-V53 HydrophobicContact CE3-CG1 4.5Å; W19-V53 VanDerWaalsContact CH2-O 3.26Å; W19-V53 WeakPolarHBondContact CH2-O 3.41Å; W19-V53 HydrophobicContact CZ3-CB 4.1Å; W19-V53 HydrophobicContact CZ3-CG1 3.82Å; W19-V53 WeakPolarHBondContact CZ3-O 3.37Å; V39-V53 WeakPolarHBondContact CA-O 3.37Å; C40-V53 PolarHBondContact N-O 3.25Å; C40-V53 PolarHBondContact O-N 2.95Å; A42-V53 HydrophobicContact CB-CG2 3.98Å; V51-V53 HydrophobicContact CG2-CG2 4.11Å; V53-F91 HydrophobicContact CG1-CE1 4.36Å; V53-F91 HydrophobicContact CG1-CZ 4.06Å; V53-Y104 HydrophobicContact CG1-CD1 4.15Å; V53-L105 CarbonylContact C-O 2.97Å; V53-L105 WeakPolarHBondContact CA-O 3.38Å; V53-V106 HydrophobicContact CG1-CG2 4.31Å; V53-V106 HydrophobicContact CG2-CG1 4.46Å; V53-V106 HydrophobicContact CG2-CG2 4.26Å
54K93.8Very high92.7Very high41 Ų4159.9 Ų59.918%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-102.4116.9177-178179.7178.4-173.70109.9S38 V39 L56 E72 Y104 L105S38-K54 WeakPolarHBondContact O-CA 3.42Å; V39-K54 HydrophobicContact CG2-CB 4.11Å; V39-K54 HydrophobicContact CG2-CD 4.48Å; V39-K54 HydrophobicContact CG2-CG 3.99Å; K54-L56 HydrophobicContact CD-CD2 4.09Å; K54-L56 HydrophobicContact CG-CD2 4.21Å; K54-E72 IonicContact NZ-OE1 3.05Å; K54-E72 PolarHBondContact NZ-OE1 3.48Å; K54-E72 IonicContact NZ-OE2 3.39Å; K54-Y104 WeakPolarHBondContact O-CA 3.48Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.31Å; K54-L105 PolarHBondContact O-N 2.91Å
55K95Very high92.3Very high28 Ų2862.7 Ų62.712%0.12231%0.312CS..EExtended strand (participates in β ladder)trans-85.9119.9166.7-173.4179.2-170.2174.60109V18 W19 G37 S38 D102 Y104V18-K55 PolarHBondContact O-NZ 3.4Å; W19-K55 HydrophobicContact CD2-CB 4.37Å; W19-K55 HydrophobicContact CE3-CB 4.32Å; W19-K55 HydrophobicContact CH2-CB 3.75Å; W19-K55 HydrophobicContact CZ2-CB 3.79Å; W19-K55 HydrophobicContact CZ3-CB 4.02Å; G37-K55 CarbonylContact C-O 3.57Å; G37-K55 WeakPolarHBondContact CA-O 3.46Å; S38-K55 PolarHBondContact N-O 2.89Å; S38-K55 PolarHBondContact O-N 3.47Å; K55-D102 VanDerWaalsContact CE-OD1 3.22Å; K55-D102 WeakPolarHBondContact CE-OD1 3.24Å; K55-D102 VanDerWaalsContact CE-OD2 3.31Å; K55-D102 WeakPolarHBondContact CE-OD2 3.41Å; K55-D102 VanDerWaalsContact NZ-CG 3.35Å; K55-D102 IonicContact NZ-OD1 2.79Å; K55-D102 PolarHBondContact NZ-OD1 3.28Å; K55-D102 IonicContact NZ-OD2 3.91Å; K55-D102 PolarHBondContact NZ-OD2 2.65Å; K55-Y104 HydrophobicContact CB-CD1 3.85Å; K55-Y104 HydrophobicContact CB-CE1 3.62Å; K55-Y104 HydrophobicContact CD-CE1 3.74Å; K55-Y104 WeakPolarHBondContact CD-OH 3.26Å; K55-Y104 WeakPolarHBondContact CE-OH 3.49Å; K55-Y104 HydrophobicContact CG-CD1 4.08Å; K55-Y104 HydrophobicContact CG-CE1 3.55Å; K55-Y104 PolarHBondContact NZ-OH 3Å
56L92.2Very high92.2Very high7 Ų756.8 Ų56.84%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-70.7132.5176.4-62-171.1000111.2K54 R58 P59 T69 V103 L105K54-L56 HydrophobicContact CD-CD2 4.09Å; K54-L56 HydrophobicContact CG-CD2 4.21Å; L56-R58 PolarHBondContact O-N 2.61Å; L56-P59 HydrophobicContact CB-CB 4.27Å; L56-P59 HydrophobicContact CB-CG 4.44Å; L56-T69 HydrophobicContact CD1-CG2 3.56Å; L56-V103 HydrophobicContact CD1-CB 4Å; L56-V103 HydrophobicContact CD1-CG1 4.06Å; L56-V103 HydrophobicContact CG-CB 4.33Å; L56-V103 PolarHBondContact N-O 2.91Å; L56-L105 HydrophobicContact CD1-CD1 4.39Å; L56-L105 HydrophobicContact CD2-CD1 4Å; L56-L105 HydrophobicContact CG-CD1 4.38Å
57S88Confident92.2Very high54 Ų5452.5 Ų52.538%0.37827%0.266SS..SBendtrans-85.5111.3-179.1-74.80000110.9Y36 G37Y36-S57 PolarHBondContact O-N 2.79Å; G37-S57 WeakPolarHBondContact CA-OG 3.46Å
58R88.8Confident92.1Very high189 Ų18952 Ų5271%0.71326%0.26SS*.SBendtrans48.756.7176.1-56.3-179.3-177.1170.31112.9L56 F60 Q61L56-R58 PolarHBondContact O-N 2.61Å; R58-F60 PolarHBondContact O-N 2.96Å; R58-Q61 HydrophobicContact CB-CB 4.09Å; R58-Q61 HydrophobicContact CB-CG 4.28Å; R58-Q61 VanDerWaalsContact CD-OE1 3.29Å; R58-Q61 WeakPolarHBondContact O-CG 3.47Å; R58-Q61 PolarHBondContact O-N 3.45Å
59P92.5Very high92.2Very high5 Ų550.3 Ų50.33%0.03224%0.24CC..THydrogen-bonded Turntrans-58.8-26.4-170.622-32.7000114.1L56 H65 A66 T69 N101 V103L56-P59 HydrophobicContact CB-CB 4.27Å; L56-P59 HydrophobicContact CB-CG 4.44Å; P59-H65 CarbonylContact O-C 3.59Å; P59-H65 WeakPolarHBondContact O-CB 3.34Å; P59-H65 VanDerWaalsContact O-O 3.1Å; P59-A66 VanDerWaalsContact O-CA 3.28Å; P59-A66 WeakPolarHBondContact O-CA 3.36Å; P59-A66 PolarHBondContact O-N 2.93Å; P59-T69 WeakPolarHBondContact CA-OG1 3.28Å; P59-T69 HydrophobicContact CB-CG2 3.82Å; P59-T69 WeakPolarHBondContact CB-OG1 3.38Å; P59-T69 PolarHBondContact O-OG1 3.35Å; P59-N101 WeakPolarHBondContact CG-O 3.33Å; P59-V103 HydrophobicContact CG-CG2 4.49Å
60F95.4Very high92.4Very high27 Ų2748.3 Ų48.312%0.11823%0.23CC..THydrogen-bonded Turntrans-111.321.4-175.1-47.8-60.6000114R58 S62 A66 T69 F100 V103 I335 K339 T342R58-F60 PolarHBondContact O-N 2.96Å; F60-S62 VanDerWaalsContact C-N 3.3Å; F60-S62 PolarHBondContact O-N 2.69Å; F60-A66 HydrophobicContact CD1-CB 4Å; F60-T69 HydrophobicContact CE1-CG2 4.34Å; F60-F100 HydrophobicContact CE1-CE1 4.32Å; F60-F100 AromaticContact CE2-CD1 3.93Å; F60-F100 HydrophobicContact CE2-CD1 3.93Å; F60-F100 AromaticContact CE2-CE1 3.73Å; F60-F100 HydrophobicContact CE2-CE1 3.73Å; F60-F100 HydrophobicContact CE2-CZ 4.16Å; F60-F100 AromaticContact CZ-CD1 3.96Å; F60-F100 HydrophobicContact CZ-CD1 3.96Å; F60-F100 AromaticContact CZ-CE1 3.33Å; F60-F100 HydrophobicContact CZ-CE1 3.33Å; F60-F100 AromaticContact CZ-CZ 3.78Å; F60-F100 HydrophobicContact CZ-CZ 3.78Å; F60-V103 HydrophobicContact CE2-CG2 4.44Å; F60-V103 HydrophobicContact CZ-CG2 4.11Å; F60-I335 HydrophobicContact CB-CG2 4.07Å; F60-I335 WeakPolarHBondContact O-CG2 3.36Å; F60-K339 HydrophobicContact CD1-CB 3.89Å; F60-K339 HydrophobicContact CD1-CG 4.14Å; F60-K339 HydrophobicContact CD2-CD 4.06Å; F60-K339 HydrophobicContact CD2-CG 4.13Å; F60-K339 HydrophobicContact CE1-CB 4.03Å; F60-K339 HydrophobicContact CE1-CG 4.11Å; F60-K339 HydrophobicContact CE2-CD 4.41Å; F60-K339 HydrophobicContact CE2-CG 4.09Å; F60-K339 HydrophobicContact CG-CB 4.27Å; F60-K339 HydrophobicContact CG-CD 4.19Å; F60-K339 HydrophobicContact CG-CG 4.17Å; F60-K339 HydrophobicContact CZ-CG 4.09Å; F60-T342 HydrophobicContact CE1-CG2 4.31Å; F60-T342 HydrophobicContact CZ-CG2 4.16Å
61Q92.8Very high92.3Very high98 Ų9841.7 Ų41.746%0.45820%0.2SC..SBendtrans-70.9-21.6-176.469.1179.70.800115R58 H65R58-Q61 HydrophobicContact CB-CB 4.09Å; R58-Q61 HydrophobicContact CB-CG 4.28Å; R58-Q61 VanDerWaalsContact CD-OE1 3.29Å; R58-Q61 WeakPolarHBondContact O-CG 3.47Å; R58-Q61 PolarHBondContact O-N 3.45Å; Q61-H65 HydrophobicContact CG-CB 4.01Å; Q61-H65 WeakPolarHBondContact CG-ND1 3.44Å; Q61-H65 PolarHBondContact NE2-CD2 3.35Å; Q61-H65 VanDerWaalsContact NE2-CD2 3.29Å; Q61-H65 PolarHBondContact NE2-CE1 3.34Å; Q61-H65 PolarHBondContact NE2-ND1 3.07Å; Q61-H65 PolarHBondContact NE2-NE2 3.26Å
62S92.9Very high92.1Very high38 Ų3842.2 Ų42.227%0.26620%0.203SC..SBendtrans-156.1165.8172.978.80000110.1F60 I64 H65 A66F60-S62 VanDerWaalsContact C-N 3.3Å; F60-S62 PolarHBondContact O-N 2.69Å; S62-I64 PolarHBondContact O-N 2.92Å; S62-H65 PolarHBondContact O-N 3.44Å; S62-H65 PolarHBondContact OG-ND1 3.18Å; S62-A66 PolarHBondContact O-N 2.86Å
63I92.7Very high92.1Very high75 Ų7541.7 Ų41.739%0.38520%0.198SC..Hα-helixtrans-52.6-43.7178.7-62.3172.5000111.2H65 A66 K67 I335I63-H65 VanDerWaalsContact C-N 3.34Å; I63-H65 PolarHBondContact O-N 2.91Å; I63-A66 PolarHBondContact O-N 3.39Å; I63-K67 WeakPolarHBondContact O-CB 3.31Å; I63-K67 PolarHBondContact O-N 3.02Å; I63-I335 HydrophobicContact CB-CG1 4.48Å; I63-I335 HydrophobicContact CG1-CD1 4.37Å; I63-I335 HydrophobicContact CG1-CG1 3.66Å
64I87.9Confident92Very high135 Ų13544 Ų4469%0.69221%0.207SC*.Hα-helixtrans-61.5-41.1178.9-62.2171000111.5S62 R68S62-I64 PolarHBondContact O-N 2.92Å; I64-R68 WeakPolarHBondContact O-CB 3.33Å; I64-R68 PolarHBondContact O-N 3.04Å; I64-R68 VanDerWaalsContact O-N 3.1Å
65H88.6Confident91.9Very high61 Ų6142.1 Ų42.128%0.28220%0.199SC..Hα-helixtrans-72.5-40.1179.3-65.885.5000111.6P59 Q61 S62 I63 R68 T69P59-H65 CarbonylContact O-C 3.59Å; P59-H65 WeakPolarHBondContact O-CB 3.34Å; P59-H65 VanDerWaalsContact O-O 3.1Å; Q61-H65 HydrophobicContact CG-CB 4.01Å; Q61-H65 WeakPolarHBondContact CG-ND1 3.44Å; Q61-H65 PolarHBondContact NE2-CD2 3.35Å; Q61-H65 VanDerWaalsContact NE2-CD2 3.29Å; Q61-H65 PolarHBondContact NE2-CE1 3.34Å; Q61-H65 PolarHBondContact NE2-ND1 3.07Å; Q61-H65 PolarHBondContact NE2-NE2 3.26Å; S62-H65 PolarHBondContact O-N 3.44Å; S62-H65 PolarHBondContact OG-ND1 3.18Å; I63-H65 VanDerWaalsContact C-N 3.34Å; I63-H65 PolarHBondContact O-N 2.91Å; H65-R68 PolarHBondContact O-N 2.86Å; H65-T69 WeakPolarHBondContact O-CB 3.43Å; H65-T69 PolarHBondContact O-N 3.42Å; H65-T69 PolarHBondContact O-OG1 3.35Å
66A93.8Very high91.8Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-65.2-49.1-179.900000111P59 F60 S62 I63 R68 T69 Y70 I335 W338P59-A66 VanDerWaalsContact O-CA 3.28Å; P59-A66 WeakPolarHBondContact O-CA 3.36Å; P59-A66 PolarHBondContact O-N 2.93Å; F60-A66 HydrophobicContact CD1-CB 4Å; S62-A66 PolarHBondContact O-N 2.86Å; I63-A66 PolarHBondContact O-N 3.39Å; A66-R68 VanDerWaalsContact C-N 3.32Å; A66-R68 PolarHBondContact O-N 2.87Å; A66-T69 WeakPolarHBondContact O-CB 3.28Å; A66-T69 PolarHBondContact O-N 2.74Å; A66-Y70 PolarHBondContact O-N 3Å; A66-I335 HydrophobicContact CB-CG2 4.39Å; A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.21Å
67K92.3Very high91.8Very high43 Ų4343.4 Ų43.419%0.18721%0.205CC..Hα-helixtrans-59.7-41.8174.7-173.4174.4-177-176.70112.1I63 Y70 R71 E329 W338I63-K67 WeakPolarHBondContact O-CB 3.31Å; I63-K67 PolarHBondContact O-N 3.02Å; K67-Y70 PolarHBondContact O-N 2.71Å; K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 2.79Å; K67-E329 WeakPolarHBondContact CE-OE2 3.41Å; K67-E329 PolarHBondContact NZ-O 2.87Å; K67-E329 IonicContact NZ-OE2 3.62Å; K67-E329 PolarHBondContact NZ-OE2 3.35Å; K67-W338 HydrophobicContact CB-CD2 4.09Å; K67-W338 HydrophobicContact CB-CG 4.4Å; K67-W338 HydrophobicContact CB-CZ2 4.25Å; K67-W338 HydrophobicContact CD-CH2 4.39Å; K67-W338 HydrophobicContact CD-CZ2 3.78Å; K67-W338 HydrophobicContact CG-CD2 4.34Å; K67-W338 HydrophobicContact CG-CH2 4.12Å; K67-W338 HydrophobicContact CG-CZ2 3.77Å
68R88.3Confident92Very high28 Ų2842.8 Ų42.811%0.10620%0.196CC..Hα-helixtrans-62.2-42.5175.8178.7175.5-178.7157.94.2112.3Y36 I64 H65 A66 R71 E72 G171Y36-R68 VanDerWaalsContact CD2-NH2 3.28Å; Y36-R68 VanDerWaalsContact CZ-CZ 3.49Å; Y36-R68 VanDerWaalsContact CZ-NH2 3.27Å; Y36-R68 PolarHBondContact OH-NH1 3.46Å; I64-R68 WeakPolarHBondContact O-CB 3.33Å; I64-R68 PolarHBondContact O-N 3.04Å; I64-R68 VanDerWaalsContact O-N 3.1Å; H65-R68 PolarHBondContact O-N 2.86Å; A66-R68 VanDerWaalsContact C-N 3.32Å; A66-R68 PolarHBondContact O-N 2.87Å; R68-R71 PolarHBondContact O-N 3.01Å; R68-E72 WeakPolarHBondContact O-CB 3.22Å; R68-E72 PolarHBondContact O-N 3.32Å; R68-G171 WeakPolarHBondContact CG-O 3.47Å; R68-G171 PolarHBondContact NE-O 2.86Å
69T92.1Very high92.2Very high9 Ų934 Ų346%0.05516%0.163CC..Hα-helixtrans-60.8-48.7177.6-62.30000110.7L56 P59 F60 H65 A66 R71 E72 L73 V103 T342L56-T69 HydrophobicContact CD1-CG2 3.56Å; P59-T69 WeakPolarHBondContact CA-OG1 3.28Å; P59-T69 HydrophobicContact CB-CG2 3.82Å; P59-T69 WeakPolarHBondContact CB-OG1 3.38Å; P59-T69 PolarHBondContact O-OG1 3.35Å; F60-T69 HydrophobicContact CE1-CG2 4.34Å; H65-T69 WeakPolarHBondContact O-CB 3.43Å; H65-T69 PolarHBondContact O-N 3.42Å; H65-T69 PolarHBondContact O-OG1 3.35Å; A66-T69 WeakPolarHBondContact O-CB 3.28Å; A66-T69 PolarHBondContact O-N 2.74Å; T69-R71 PolarHBondContact O-N 3.43Å; T69-E72 PolarHBondContact O-N 2.69Å; T69-L73 PolarHBondContact O-N 3.12Å; T69-L73 VanDerWaalsContact O-N 3.09Å; T69-V103 HydrophobicContact CG2-CG2 4.44Å; T69-T342 HydrophobicContact CG2-CG2 3.85Å
70Y94.8Very high92.3Very high11 Ų1141.7 Ų41.74%0.04320%0.196CC..Hα-helixtrans-57.5-48.6176.5179.9-107.9000111.6A66 K67 L73 R74 F328 W338 L341 E345A66-Y70 PolarHBondContact O-N 3Å; K67-Y70 PolarHBondContact O-N 2.71Å; Y70-L73 PolarHBondContact O-N 3.11Å; Y70-R74 HydrophobicContact CD1-CG 4.14Å; Y70-R74 HydrophobicContact CD2-CG 4.29Å; Y70-R74 HydrophobicContact CE1-CG 3.75Å; Y70-R74 HydrophobicContact CE2-CG 3.91Å; Y70-R74 HydrophobicContact CG-CG 4.4Å; Y70-R74 WeakPolarHBondContact O-CB 3.44Å; Y70-R74 VanDerWaalsContact O-CG 3.25Å; Y70-R74 WeakPolarHBondContact O-CG 3.23Å; Y70-R74 PolarHBondContact O-N 2.95Å; Y70-R74 PolarHBondContact OH-NH1 3.4Å; Y70-R74 VanDerWaalsContact OH-NH1 3.07Å; Y70-F328 AromaticContact CD1-CD2 3.77Å; Y70-F328 HydrophobicContact CD1-CD2 3.77Å; Y70-F328 HydrophobicContact CD1-CE2 4.01Å; Y70-F328 HydrophobicContact CD1-CG 4.14Å; Y70-F328 HydrophobicContact CE1-CB 4.02Å; Y70-F328 AromaticContact CE1-CD1 3.94Å; Y70-F328 HydrophobicContact CE1-CD1 3.94Å; Y70-F328 AromaticContact CE1-CD2 3.75Å; Y70-F328 HydrophobicContact CE1-CD2 3.75Å; Y70-F328 HydrophobicContact CE1-CE1 4.37Å; Y70-F328 HydrophobicContact CE1-CE2 4.21Å; Y70-F328 AromaticContact CE1-CG 3.61Å; Y70-F328 HydrophobicContact CE1-CG 3.61Å; Y70-F328 HydrophobicContact CE1-CZ 4.5Å; Y70-W338 AromaticContact CD1-CE3 3.84Å; Y70-W338 HydrophobicContact CD1-CE3 3.84Å; Y70-W338 AromaticContact CD1-CZ3 3.52Å; Y70-W338 HydrophobicContact CD1-CZ3 3.52Å; Y70-W338 AromaticContact CE1-CZ3 3.93Å; Y70-W338 HydrophobicContact CE1-CZ3 3.93Å; Y70-W338 AromaticContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CZ3 4.14Å; Y70-L341 HydrophobicContact CD2-CB 3.78Å; Y70-L341 HydrophobicContact CE2-CB 3.53Å; Y70-E345 HydrophobicContact CD2-CG 4.24Å; Y70-E345 HydrophobicContact CE2-CG 3.53Å
71R91.3Very high92.3Very high14 Ų1441.3 Ų41.35%0.05319%0.194CC..Hα-helixtrans-60.5-47178.6179.317172.6-154.9-3.7113.2K67 R68 T69 L73 R74 L75 G171 A173 R174 F328 E329K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 2.79Å; R68-R71 PolarHBondContact O-N 3.01Å; T69-R71 PolarHBondContact O-N 3.43Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 2.95Å; R71-R74 PolarHBondContact O-N 3.08Å; R71-L75 HydrophobicContact CG-CD1 3.62Å; R71-L75 HydrophobicContact CG-CG 4.24Å; R71-L75 WeakPolarHBondContact O-CB 3.27Å; R71-L75 VanDerWaalsContact O-CG 3.32Å; R71-L75 WeakPolarHBondContact O-CG 3.5Å; R71-L75 PolarHBondContact O-N 3.25Å; R71-G171 PolarHBondContact NH2-O 3.2Å; R71-A173 WeakPolarHBondContact CD-O 3.02Å; R71-A173 PolarHBondContact NE-O 3.28Å; R71-A173 VanDerWaalsContact NE-O 3.08Å; R71-R174 VanDerWaalsContact NH1-CG 3.33Å; R71-F328 HydrophobicContact CB-CE2 4.02Å; R71-F328 HydrophobicContact CB-CZ 4.24Å; R71-F328 HydrophobicContact CG-CE2 4.3Å; R71-F328 HydrophobicContact CG-CZ 4.16Å; R71-E329 WeakPolarHBondContact CD-OE1 3.11Å; R71-E329 IonicContact CZ-OE1 2.88Å; R71-E329 IonicContact NE-OE1 2.96Å; R71-E329 IonicContact NH1-OE1 2.66Å; R71-E329 PolarHBondContact NH1-OE1 2.98Å; R71-E329 IonicContact NH1-OE2 2.64Å
72E90.8Very high92.4Very high11 Ų1142.4 Ų42.45%0.05120%0.199CC..Hα-helixtrans-60.2-44179.9-175.3173.4173.600110.6K54 R68 T69 L76 L105K54-E72 IonicContact NZ-OE1 3.05Å; K54-E72 PolarHBondContact NZ-OE1 3.48Å; K54-E72 IonicContact NZ-OE2 3.39Å; R68-E72 WeakPolarHBondContact O-CB 3.22Å; R68-E72 PolarHBondContact O-N 3.32Å; T69-E72 PolarHBondContact O-N 2.69Å; E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.43Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.06Å; E72-L76 PolarHBondContact O-N 3.27Å; E72-L105 HydrophobicContact CG-CD1 4.35Å
73L93.9Very high92.6Very high2 Ų241 Ų411%0.0119%0.189CC..Hα-helixtrans-62.9-47.4176.1178.156.2000112.2T69 Y70 R71 L75 L76 K77 L87 V90 L105 T342 E345 V346T69-L73 PolarHBondContact O-N 3.12Å; T69-L73 VanDerWaalsContact O-N 3.09Å; Y70-L73 PolarHBondContact O-N 3.11Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 2.95Å; L73-L75 PolarHBondContact O-N 2.92Å; L73-L76 PolarHBondContact O-N 3.32Å; L73-K77 HydrophobicContact CD1-CD 4.12Å; L73-K77 HydrophobicContact CD1-CG 4.19Å; L73-K77 HydrophobicContact CG-CD 4.26Å; L73-K77 WeakPolarHBondContact O-CG 3.25Å; L73-K77 PolarHBondContact O-N 3.38Å; L73-L87 HydrophobicContact CD1-CD2 3.7Å; L73-V90 HydrophobicContact CD1-CB 4.19Å; L73-V90 HydrophobicContact CD1-CG1 4.15Å; L73-V90 HydrophobicContact CD1-CG2 3.87Å; L73-L105 HydrophobicContact CD1-CD2 3.96Å; L73-T342 HydrophobicContact CD2-CG2 4.11Å; L73-E345 HydrophobicContact CD2-CB 3.57Å; L73-E345 HydrophobicContact CG-CB 4.14Å; L73-V346 HydrophobicContact CD2-CG2 3.73Å
74R93.6Very high92.7Very high47 Ų4737.5 Ų37.518%0.17717%0.171CC..Hα-helixtrans-58.5-46.1178.1-76.5-78.4-63.9-134.4-8.7112.5Y70 R71 K77 H78 Y324 D325 E345Y70-R74 HydrophobicContact CD1-CG 4.14Å; Y70-R74 HydrophobicContact CD2-CG 4.29Å; Y70-R74 HydrophobicContact CE1-CG 3.75Å; Y70-R74 HydrophobicContact CE2-CG 3.91Å; Y70-R74 HydrophobicContact CG-CG 4.4Å; Y70-R74 WeakPolarHBondContact O-CB 3.44Å; Y70-R74 VanDerWaalsContact O-CG 3.25Å; Y70-R74 WeakPolarHBondContact O-CG 3.23Å; Y70-R74 PolarHBondContact O-N 2.95Å; Y70-R74 PolarHBondContact OH-NH1 3.4Å; Y70-R74 VanDerWaalsContact OH-NH1 3.07Å; R71-R74 PolarHBondContact O-N 3.08Å; R74-K77 PolarHBondContact O-N 2.81Å; R74-H78 WeakPolarHBondContact O-CB 3.49Å; R74-H78 PolarHBondContact O-N 2.97Å; R74-H78 VanDerWaalsContact O-N 3.09Å; R74-Y324 HydrophobicContact CB-CE2 4.24Å; R74-Y324 VanDerWaalsContact CB-OH 3.23Å; R74-Y324 WeakPolarHBondContact CB-OH 3.43Å; R74-D325 PolarHBondContact NH2-O 2.72Å; R74-E345 VanDerWaalsContact CD-CD 3.43Å; R74-E345 WeakPolarHBondContact CD-OE1 3.34Å; R74-E345 HydrophobicContact CG-CG 4.46Å; R74-E345 IonicContact CZ-OE1 3.54Å; R74-E345 IonicContact NE-OE1 3.9Å; R74-E345 IonicContact NH1-OE1 3.58Å; R74-E345 PolarHBondContact NH1-OE1 2.92Å
75L92.2Very high92.9Very high2 Ų231.5 Ų31.51%0.0114%0.14CC..Hα-helixtrans-64.2-48.2178.4-73.5170.6000110.8R71 L73 K77 H78 M79 I147 F170 A173 Y324R71-L75 HydrophobicContact CG-CD1 3.62Å; R71-L75 HydrophobicContact CG-CG 4.24Å; R71-L75 WeakPolarHBondContact O-CB 3.27Å; R71-L75 VanDerWaalsContact O-CG 3.32Å; R71-L75 WeakPolarHBondContact O-CG 3.5Å; R71-L75 PolarHBondContact O-N 3.25Å; L73-L75 PolarHBondContact O-N 2.92Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 2.82Å; L75-H78 PolarHBondContact O-N 3.26Å; L75-M79 HydrophobicContact CD2-CE 4.16Å; L75-M79 VanDerWaalsContact O-CG 3.28Å; L75-M79 WeakPolarHBondContact O-CG 3.32Å; L75-M79 PolarHBondContact O-N 3.07Å; L75-I147 HydrophobicContact CD2-CD1 3.43Å; L75-I147 VanDerWaalsContact CD2-CD1 3.43Å; L75-I147 HydrophobicContact CD2-CG1 4.03Å; L75-I147 HydrophobicContact CD2-CG2 4.33Å; L75-F170 HydrophobicContact CB-CB 4.1Å; L75-F170 HydrophobicContact CB-CG 4.37Å; L75-F170 HydrophobicContact CD1-CB 3.71Å; L75-F170 HydrophobicContact CD1-CG 4.42Å; L75-A173 HydrophobicContact CD1-CB 3.9Å; L75-Y324 HydrophobicContact CD2-CD1 3.94Å; L75-Y324 HydrophobicContact CD2-CE1 3.41Å; L75-Y324 VanDerWaalsContact CD2-CE1 3.41Å; L75-Y324 HydrophobicContact CD2-CE2 4.29Å; L75-Y324 HydrophobicContact CG-CE1 4.21Å
76L92.9Very high93.1Very high11 Ų1129.3 Ų29.36%0.05814%0.135CC..Hα-helixtrans-62.3-31.3178.6-72.4171000113.4E72 L73 I85 L87 L105 F170E72-L76 HydrophobicContact CG-CD1 3.98Å; E72-L76 WeakPolarHBondContact O-CB 3.43Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.06Å; E72-L76 PolarHBondContact O-N 3.27Å; L73-L76 PolarHBondContact O-N 3.32Å; L76-I85 HydrophobicContact CD2-CG2 3.75Å; L76-L87 HydrophobicContact CB-CB 4.11Å; L76-L87 HydrophobicContact CB-CD1 4.35Å; L76-L87 HydrophobicContact CB-CD2 4.4Å; L76-L87 HydrophobicContact CD1-CD1 4.35Å; L76-L87 PolarHBondContact O-N 3.37Å; L76-L105 HydrophobicContact CD1-CD1 3.75Å; L76-F170 HydrophobicContact CD2-CD2 4.4Å
77K92.6Very high93.1Very high51 Ų5129.9 Ų29.922%0.22214%0.138CC..Hα-helixtrans-70.9-32.5172.6-74.7-179.868.7173.40112.7L73 R74 L75 L87 E345 S348 F349L73-K77 HydrophobicContact CD1-CD 4.12Å; L73-K77 HydrophobicContact CD1-CG 4.19Å; L73-K77 HydrophobicContact CG-CD 4.26Å; L73-K77 WeakPolarHBondContact O-CG 3.25Å; L73-K77 PolarHBondContact O-N 3.38Å; R74-K77 PolarHBondContact O-N 2.81Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 2.82Å; K77-L87 HydrophobicContact CG-CD2 3.77Å; K77-E345 WeakPolarHBondContact CE-OE2 3.42Å; K77-E345 PolarHBondContact NZ-O 3.06Å; K77-E345 IonicContact NZ-OE2 2.82Å; K77-E345 PolarHBondContact NZ-OE2 3.19Å; K77-S348 PolarHBondContact NZ-OG 2.84Å; K77-F349 HydrophobicContact CD-CD2 4.11Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.17Å
78H92.6Very high93.2Very high41 Ų4129.2 Ų29.219%0.1914%0.136CC..Hα-helixtrans-80-36.4-178.3-167.779.7000112.9R74 L75 K80 E322 P323 Y324R74-H78 WeakPolarHBondContact O-CB 3.49Å; R74-H78 PolarHBondContact O-N 2.97Å; R74-H78 VanDerWaalsContact O-N 3.09Å; L75-H78 PolarHBondContact O-N 3.26Å; H78-K80 PolarHBondContact O-N 2.86Å; H78-E322 PolarHBondContact CE1-O 3.43Å; H78-E322 VanDerWaalsContact CE1-O 3.26Å; H78-E322 PolarHBondContact NE2-O 3.19Å; H78-P323 PolarHBondContact CE1-O 3.07Å; H78-Y324 HydrophobicContact CB-CD2 3.86Å; H78-Y324 HydrophobicContact CB-CE2 4.17Å; H78-Y324 AromaticContact CG-CD2 3.57Å; H78-Y324 AromaticContact ND1-CD2 3.68Å
79M92.9Very high93.5Very high4 Ų428.9 Ų28.92%0.0214%0.136CC..  trans-71.3119.3-174.9-65.7-58.9142.400112.2L75 V84 Y141 I142 I147 F170L75-M79 HydrophobicContact CD2-CE 4.16Å; L75-M79 VanDerWaalsContact O-CG 3.28Å; L75-M79 WeakPolarHBondContact O-CG 3.32Å; L75-M79 PolarHBondContact O-N 3.07Å; M79-V84 HydrophobicContact CB-CG1 3.78Å; M79-V84 HydrophobicContact CG-CG1 3.77Å; M79-V84 HydrophobicContact SD-CG1 4.07Å; M79-Y141 HydrophobicContact SD-CD1 4.01Å; M79-Y141 HydrophobicContact SD-CE1 3.69Å; M79-I142 HydrophobicContact SD-CG1 4.23Å; M79-I147 HydrophobicContact CE-CD1 3.22Å; M79-F170 HydrophobicContact CG-CE2 4.25Å; M79-F170 HydrophobicContact CG-CZ 4.2Å
80K93.6Very high93.8Very high168 Ų16828.9 Ų28.973%0.7314%0.136SC*.  trans-136.877177.5-64.2-179.3-176.3178.20109.4H78 Y141H78-K80 PolarHBondContact O-N 2.86Å; K80-Y141 PolarHBondContact N-OH 3.08Å; K80-Y141 PolarHBondContact O-OH 3.47Å
81H95.3Very high93.9Very high19 Ų1929 Ų299%0.08814%0.137CC..  trans-150.4143-176.9-176.4-84000109.9N83 V84 R137 Y141H81-N83 VanDerWaalsContact C-N 3.3Å; H81-N83 PolarHBondContact CE1-OD1 2.97Å; H81-N83 PolarHBondContact ND1-N 3.28Å; H81-N83 PolarHBondContact O-N 3.09Å; H81-V84 HydrophobicContact CB-CB 4.08Å; H81-V84 HydrophobicContact CB-CG2 4.02Å; H81-V84 PolarHBondContact O-N 2.95Å; H81-V84 VanDerWaalsContact O-N 3.12Å; H81-R137 PolarHBondContact CE1-NH1 3.24Å; H81-Y141 HydrophobicContact CB-CD1 3.72Å; H81-Y141 HydrophobicContact CB-CD2 3.91Å; H81-Y141 HydrophobicContact CB-CE1 3.95Å; H81-Y141 HydrophobicContact CB-CE2 4.09Å; H81-Y141 HydrophobicContact CB-CG 3.72Å; H81-Y141 AromaticContact CD2-CD2 3.54Å; H81-Y141 AromaticContact CD2-CG 3.62Å; H81-Y141 AromaticContact CG-CG 3.79Å
82E94.8Very high94.2Very high120 Ų12029 Ų2956%0.56114%0.139SC*.THydrogen-bonded Turntrans-63.1-37.3-174.7-62.8174.2127.300112.6V84 R137 K166E82-V84 VanDerWaalsContact C-N 3.32Å; E82-V84 PolarHBondContact O-N 3.01Å; E82-R137 IonicContact OE2-CZ 3.4Å; E82-R137 IonicContact OE2-NH1 2.82Å; E82-R137 PolarHBondContact OE2-NH1 3.48Å; E82-R137 IonicContact OE2-NH2 3.15Å; E82-R137 PolarHBondContact OE2-NH2 2.82Å; E82-R137 VanDerWaalsContact OE2-NH2 3.11Å; E82-K166 WeakPolarHBondContact O-CG 3.24Å; E82-K166 PolarHBondContact O-NZ 2.78Å
83N97Very high94.5Very high10 Ų1029.6 Ų29.65%0.05314%0.143CC..THydrogen-bonded Turntrans-90.113.1178.3-49.9112.1000115H81 Q134 R137 L165 I167H81-N83 VanDerWaalsContact C-N 3.3Å; H81-N83 PolarHBondContact CE1-OD1 2.97Å; H81-N83 PolarHBondContact ND1-N 3.28Å; H81-N83 PolarHBondContact O-N 3.09Å; N83-Q134 VanDerWaalsContact CB-O 3.26Å; N83-Q134 WeakPolarHBondContact CB-O 3.39Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.39Å; N83-Q134 WeakPolarHBondContact ND2-CG 3.47Å; N83-Q134 PolarHBondContact ND2-OE1 3.5Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.13Å; N83-R137 WeakPolarHBondContact OD1-CD 2.99Å; N83-R137 PolarHBondContact OD1-NH1 3.5Å; N83-L165 VanDerWaalsContact CA-O 3.23Å; N83-L165 WeakPolarHBondContact CA-O 3.29Å; N83-L165 PolarHBondContact ND2-O 3.39Å; N83-I167 WeakPolarHBondContact O-CG1 3.42Å; N83-I167 PolarHBondContact O-N 2.85Å
84V95.9Very high94.5Very high1 Ų130 Ų301%0.00615%0.147CC..BIsolated β-bridgetrans-127.1137.9176.2-177.90000109.4M79 H81 E82 G86 Y141 I142 F170M79-V84 HydrophobicContact CB-CG1 3.78Å; M79-V84 HydrophobicContact CG-CG1 3.77Å; M79-V84 HydrophobicContact SD-CG1 4.07Å; H81-V84 HydrophobicContact CB-CB 4.08Å; H81-V84 HydrophobicContact CB-CG2 4.02Å; H81-V84 PolarHBondContact O-N 2.95Å; H81-V84 VanDerWaalsContact O-N 3.12Å; E82-V84 VanDerWaalsContact C-N 3.32Å; E82-V84 PolarHBondContact O-N 3.01Å; V84-G86 PolarHBondContact O-N 2.99Å; V84-Y141 HydrophobicContact CG2-CD1 4.48Å; V84-I142 HydrophobicContact CG1-CD1 4.43Å; V84-I142 HydrophobicContact CG1-CG1 4.5Å; V84-I142 HydrophobicContact CG2-CD1 3.89Å; V84-I142 HydrophobicContact CG2-CG1 3.95Å; V84-F170 HydrophobicContact CG1-CE2 3.63Å; V84-F170 HydrophobicContact CG1-CZ 3.38Å
85I92.9Very high94.6Very high8 Ų831.6 Ų31.64%0.04116%0.162CC..  trans-66.9124.2177.5-162.268.3000110.8L76 T107 H108 K166 I167 L168 F170L76-I85 HydrophobicContact CD2-CG2 3.75Å; I85-T107 HydrophobicContact CD1-CG2 4.49Å; I85-T107 HydrophobicContact CG1-CG2 3.92Å; I85-H108 HydrophobicContact CD1-CB 4.5Å; I85-K166 HydrophobicContact CD1-CD 3.97Å; I85-I167 WeakPolarHBondContact CB-O 3.36Å; I85-I167 VanDerWaalsContact CG2-O 3.29Å; I85-I167 WeakPolarHBondContact CG2-O 3.45Å; I85-I167 PolarHBondContact N-O 2.97Å; I85-L168 HydrophobicContact CB-CD2 3.67Å; I85-L168 HydrophobicContact CD1-CD2 4.04Å; I85-L168 HydrophobicContact CG1-CD2 3.91Å; I85-L168 HydrophobicContact CG2-CD2 4.03Å; I85-F170 HydrophobicContact CG2-CD2 4.45Å; I85-F170 HydrophobicContact CG2-CE2 4.08Å
86G91.3Very high94.7Very high16 Ų1633 Ų3317%0.16517%0.172CC..  trans-106.8162.717400000112.3V84 T107V84-G86 PolarHBondContact O-N 2.99Å; G86-T107 WeakPolarHBondContact O-CG2 3.38Å
87L93.8Very high94.9Very high12 Ų1234.8 Ų34.86%0.06318%0.181CC..  trans-87.8123.5178.2-159.661.5000111.2L73 L76 K77 D89 V90 L105 F349L73-L87 HydrophobicContact CD1-CD2 3.7Å; L76-L87 HydrophobicContact CB-CB 4.11Å; L76-L87 HydrophobicContact CB-CD1 4.35Å; L76-L87 HydrophobicContact CB-CD2 4.4Å; L76-L87 HydrophobicContact CD1-CD1 4.35Å; L76-L87 PolarHBondContact O-N 3.37Å; K77-L87 HydrophobicContact CG-CD2 3.77Å; L87-D89 VanDerWaalsContact CD1-O 3.31Å; L87-D89 WeakPolarHBondContact CD1-O 3.49Å; L87-V90 HydrophobicContact CD2-CB 3.99Å; L87-V90 HydrophobicContact CD2-CG1 3.96Å; L87-L105 HydrophobicContact CD1-CB 4.03Å; L87-L105 HydrophobicContact CD1-CD2 4.07Å; L87-F349 HydrophobicContact CB-CE2 4.17Å; L87-F349 HydrophobicContact CB-CZ 4.34Å; L87-F349 HydrophobicContact CD2-CD2 4.01Å; L87-F349 HydrophobicContact CD2-CE2 3.64Å; L87-F349 HydrophobicContact CD2-CZ 4.22Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.11Å
88L94.3Very high95Very high28 Ų2839.4 Ų39.415%0.14720%0.204CC..SBendtrans-88.3-37.9172.5-67.9179.8000111.9V51 V106 H108 P352V51-L88 HydrophobicContact CG1-CD1 3.84Å; L88-V106 HydrophobicContact CB-CG1 4.33Å; L88-V106 PolarHBondContact N-O 2.92Å; L88-H108 VanDerWaalsContact CD2-CE1 3.5Å; L88-H108 WeakPolarHBondContact CD2-CE1 3.3Å; L88-P352 HydrophobicContact CD2-CG 4.15Å
89D95.9Very high95.1Very high22 Ų2242.3 Ų42.312%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-155.9156.6178.5-159.711.4000110.5R24 Y25 L87 V106R24-D89 IonicContact CZ-OD2 3.18Å; R24-D89 IonicContact NH1-OD2 3.72Å; R24-D89 PolarHBondContact NH1-OD2 2.68Å; Y25-D89 WeakPolarHBondContact OH-CB 3.42Å; Y25-D89 VanDerWaalsContact OH-CG 3.27Å; Y25-D89 PolarHBondContact OH-OD2 2.96Å; L87-D89 VanDerWaalsContact CD1-O 3.31Å; L87-D89 WeakPolarHBondContact CD1-O 3.49Å; D89-V106 HydrophobicContact CB-CB 3.76Å; D89-V106 HydrophobicContact CB-CG1 4.45Å; D89-V106 HydrophobicContact CB-CG2 3.87Å; D89-V106 PolarHBondContact N-O 3.46Å; D89-V106 PolarHBondContact O-N 3.45Å
90V97.2Very high95.3Very high8 Ų842.1 Ų42.15%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-142.5135168.653.50000108.8L73 L87 V103 Y104 L105 V346 F349L73-V90 HydrophobicContact CD1-CB 4.19Å; L73-V90 HydrophobicContact CD1-CG1 4.15Å; L73-V90 HydrophobicContact CD1-CG2 3.87Å; L87-V90 HydrophobicContact CD2-CB 3.99Å; L87-V90 HydrophobicContact CD2-CG1 3.96Å; V90-V103 HydrophobicContact CG2-CG1 4.26Å; V90-Y104 WeakPolarHBondContact CA-O 3.27Å; V90-Y104 WeakPolarHBondContact CG2-O 3.45Å; V90-L105 HydrophobicContact CB-CD2 4.37Å; V90-L105 HydrophobicContact CG2-CD2 3.91Å; V90-V346 HydrophobicContact CG2-CB 4.38Å; V90-V346 HydrophobicContact CG2-CG1 4.19Å; V90-V346 HydrophobicContact CG2-CG2 3.77Å; V90-F349 HydrophobicContact CG1-CB 3.44Å; V90-F349 VanDerWaalsContact CG1-CB 3.44Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.78Å; V90-F349 HydrophobicContact CG1-CE2 4.49Å; V90-F349 HydrophobicContact CG1-CG 3.37Å
91F97.4Very high95.3Very high14 Ų1438.8 Ų38.86%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-148.3163.5-177.662.8-97.9000113.1F9 V21 P22 Y25 V53 Y104 V106F9-F91 AromaticContact CE1-CD2 3.8Å; F9-F91 HydrophobicContact CE1-CD2 3.8Å; F9-F91 HydrophobicContact CE1-CE2 4.27Å; F9-F91 HydrophobicContact CZ-CD2 4.41Å; V21-F91 HydrophobicContact CB-CE2 4.1Å; V21-F91 HydrophobicContact CB-CZ 3.94Å; V21-F91 HydrophobicContact CG1-CE2 3.97Å; V21-F91 HydrophobicContact CG1-CZ 3.81Å; P22-F91 VanDerWaalsContact CD-CZ 3.49Å; P22-F91 HydrophobicContact CG-CD1 4.18Å; P22-F91 HydrophobicContact CG-CD2 4.13Å; P22-F91 HydrophobicContact CG-CE1 4.37Å; P22-F91 HydrophobicContact CG-CE2 4.33Å; P22-F91 HydrophobicContact CG-CG 4.05Å; P22-F91 HydrophobicContact CG-CZ 4.44Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.34Å; Y25-F91 HydrophobicContact CE2-CD1 4.02Å; Y25-F91 AromaticContact CE2-CE1 3.55Å; Y25-F91 HydrophobicContact CE2-CE1 3.55Å; Y25-F91 HydrophobicContact CE2-CZ 4.38Å; V53-F91 HydrophobicContact CG1-CE1 4.36Å; V53-F91 HydrophobicContact CG1-CZ 4.06Å; F91-Y104 AromaticContact CD2-CD2 3.8Å; F91-Y104 HydrophobicContact CD2-CD2 3.8Å; F91-Y104 AromaticContact CD2-CG 3.89Å; F91-Y104 HydrophobicContact CD2-CG 3.89Å; F91-Y104 AromaticContact CE2-CD1 3.86Å; F91-Y104 HydrophobicContact CE2-CD1 3.86Å; F91-Y104 AromaticContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CD2 3.47Å; F91-Y104 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CE2 4.23Å; F91-Y104 AromaticContact CE2-CG 3.26Å; F91-Y104 HydrophobicContact CE2-CG 3.26Å; F91-Y104 AromaticContact CZ-CD1 3.99Å; F91-Y104 HydrophobicContact CZ-CD1 3.99Å; F91-Y104 HydrophobicContact CZ-CD2 4.34Å; F91-Y104 AromaticContact CZ-CG 3.67Å; F91-Y104 HydrophobicContact CZ-CG 3.67Å; F91-Y104 PolarHBondContact N-O 3.33Å; F91-Y104 PolarHBondContact O-N 3.31Å; F91-V106 HydrophobicContact CD1-CG2 4.07Å; F91-V106 HydrophobicContact CE1-CG2 3.56Å
92T97.6Very high95.3Very high15 Ų1540.1 Ų40.19%0.09221%0.214CC..  trans-138.9144.2169-175.20000109.2F9 A94 F100 D102 Y343 V346F9-T92 WeakPolarHBondContact CZ-O 3.23Å; T92-A94 HydrophobicContact CG2-CB 4.07Å; T92-A94 PolarHBondContact O-N 3.03Å; T92-A94 PolarHBondContact OG1-N 3.33Å; T92-F100 HydrophobicContact CG2-CD2 3.88Å; T92-F100 HydrophobicContact CG2-CE2 3.94Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.43Å; T92-D102 VanDerWaalsContact CB-O 3.22Å; T92-D102 WeakPolarHBondContact CB-O 3.28Å; T92-D102 PolarHBondContact OG1-O 2.77Å; T92-Y343 HydrophobicContact CG2-CE2 4.46Å; T92-V346 HydrophobicContact CG2-CG1 4.19Å
93P96.1Very high95.4Very high22 Ų2234.4 Ų34.414%0.14319%0.188CC..SBendtrans-73.4-9.7170.531.8-37.3000112.8R6 F9 E20 Y104R6-P93 PolarHBondContact NH2-O 3.08Å; F9-P93 HydrophobicContact CD1-CB 4.05Å; F9-P93 HydrophobicContact CE1-CB 4.12Å; E20-P93 HydrophobicContact CB-CB 4.07Å; E20-P93 HydrophobicContact CB-CG 4.17Å; E20-P93 HydrophobicContact CG-CB 3.69Å; E20-P93 HydrophobicContact CG-CG 4.33Å; P93-Y104 HydrophobicContact CG-CE2 4.47Å
94A95.8Very high95.4Very high12 Ų1233.9 Ų33.910%0.09919%0.185CC..  trans-64.1144.4-179.500000112.4R6 T92 E99 F100R6-A94 PolarHBondContact NH2-O 3.18Å; T92-A94 HydrophobicContact CG2-CB 4.07Å; T92-A94 PolarHBondContact O-N 3.03Å; T92-A94 PolarHBondContact OG1-N 3.33Å; A94-E99 HydrophobicContact CB-CB 4.06Å; A94-F100 HydrophobicContact CB-CB 4.14Å; A94-F100 HydrophobicContact CB-CD2 4.31Å
95T93.9Very high95.4Very high80 Ų8034 Ų3449%0.49119%0.186SC..SBendtrans-94.8-18.6178.374.10000112.9R6 E99R6-T95 VanDerWaalsContact NH1-CA 3.31Å; R6-T95 VanDerWaalsContact NH2-CG2 3.34Å; T95-E99 WeakPolarHBondContact CB-OE2 3.43Å; T95-E99 WeakPolarHBondContact CG2-OE2 3.5Å; T95-E99 PolarHBondContact N-OE2 3.26Å; T95-E99 PolarHBondContact OG1-OE2 2.86Å
96S95.8Very high95.5Very high31 Ų3133.7 Ų33.722%0.21718%0.184CC..SBendtrans-150.7171.1-178780000110.6E98 E99 F100S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.37Å; S96-E98 PolarHBondContact O-N 3.21Å; S96-E98 PolarHBondContact OG-N 3.32Å; S96-E98 PolarHBondContact OG-OE2 3.36Å; S96-E99 PolarHBondContact O-N 2.91Å; S96-F100 PolarHBondContact O-N 2.93Å
97L95.6Very high95.7Very high48 Ų4834 Ų3425%0.25118%0.183SC..THydrogen-bonded Turntrans-62.9-34.3177.417860.2000112.3E99 F100 K339 Y343L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.11Å; L97-F100 HydrophobicContact CD1-CB 4.49Å; L97-F100 HydrophobicContact CD1-CD1 4.28Å; L97-F100 VanDerWaalsContact O-CB 3.32Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.37Å; L97-K339 HydrophobicContact CD1-CG 4.18Å; L97-K339 VanDerWaalsContact O-CE 3.29Å; L97-K339 WeakPolarHBondContact O-CE 3.5Å; L97-K339 PolarHBondContact O-NZ 2.89Å; L97-Y343 HydrophobicContact CB-CD1 4.35Å; L97-Y343 HydrophobicContact CB-CE1 4.47Å; L97-Y343 HydrophobicContact CD1-CD1 4.36Å; L97-Y343 HydrophobicContact CD1-CG 3.99Å
98E94.8Very high95.5Very high148 Ų14836.2 Ų36.269%0.69219%0.192SC*.THydrogen-bonded Turntrans-62.7-36.4179-60.576.5-165.600111.5S96S96-E98 VanDerWaalsContact C-N 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.37Å; S96-E98 PolarHBondContact O-N 3.21Å; S96-E98 PolarHBondContact OG-N 3.32Å; S96-E98 PolarHBondContact OG-OE2 3.36Å
99E95.1Very high95.2Very high103 Ų10337.4 Ų37.448%0.48120%0.199SC..THydrogen-bonded Turntrans-87.6-6179.2-63.2-179.5166.500113.5A94 T95 S96 L97 N101A94-E99 HydrophobicContact CB-CB 4.06Å; T95-E99 WeakPolarHBondContact CB-OE2 3.43Å; T95-E99 WeakPolarHBondContact CG2-OE2 3.5Å; T95-E99 PolarHBondContact N-OE2 3.26Å; T95-E99 PolarHBondContact OG1-OE2 2.86Å; S96-E99 PolarHBondContact O-N 2.91Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.11Å; E99-N101 PolarHBondContact O-N 3.18Å; E99-N101 VanDerWaalsContact O-N 3.14Å; E99-N101 PolarHBondContact O-ND2 3.14Å
100F97.2Very high94.8Very high0 Ų037.9 Ų37.90%020%0.201CC..  trans-70.7108.1-173.4-177.7-130.9000112.1F60 T92 A94 S96 L97 V103 K339 T342 Y343 V346F60-F100 HydrophobicContact CE1-CE1 4.32Å; F60-F100 AromaticContact CE2-CD1 3.93Å; F60-F100 HydrophobicContact CE2-CD1 3.93Å; F60-F100 AromaticContact CE2-CE1 3.73Å; F60-F100 HydrophobicContact CE2-CE1 3.73Å; F60-F100 HydrophobicContact CE2-CZ 4.16Å; F60-F100 AromaticContact CZ-CD1 3.96Å; F60-F100 HydrophobicContact CZ-CD1 3.96Å; F60-F100 AromaticContact CZ-CE1 3.33Å; F60-F100 HydrophobicContact CZ-CE1 3.33Å; F60-F100 AromaticContact CZ-CZ 3.78Å; F60-F100 HydrophobicContact CZ-CZ 3.78Å; T92-F100 HydrophobicContact CG2-CD2 3.88Å; T92-F100 HydrophobicContact CG2-CE2 3.94Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.43Å; A94-F100 HydrophobicContact CB-CB 4.14Å; A94-F100 HydrophobicContact CB-CD2 4.31Å; S96-F100 PolarHBondContact O-N 2.93Å; L97-F100 HydrophobicContact CD1-CB 4.49Å; L97-F100 HydrophobicContact CD1-CD1 4.28Å; L97-F100 VanDerWaalsContact O-CB 3.32Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.37Å; F100-V103 HydrophobicContact CE1-CG2 4.45Å; F100-V103 HydrophobicContact CE2-CG2 3.63Å; F100-V103 HydrophobicContact CZ-CG2 3.41Å; F100-V103 VanDerWaalsContact CZ-CG2 3.41Å; F100-K339 HydrophobicContact CD1-CD 4.42Å; F100-K339 HydrophobicContact CD1-CG 3.66Å; F100-K339 HydrophobicContact CE1-CG 4.17Å; F100-K339 WeakPolarHBondContact CE1-O 3.35Å; F100-K339 WeakPolarHBondContact O-CE 3.25Å; F100-K339 PolarHBondContact O-NZ 3.16Å; F100-T342 HydrophobicContact CE1-CG2 4.1Å; F100-T342 HydrophobicContact CZ-CG2 3.95Å; F100-Y343 HydrophobicContact CB-CD2 3.9Å; F100-Y343 HydrophobicContact CB-CE2 4.32Å; F100-Y343 AromaticContact CD1-CD2 3.83Å; F100-Y343 HydrophobicContact CD1-CD2 3.83Å; F100-Y343 HydrophobicContact CD1-CG 4.24Å; F100-Y343 AromaticContact CD2-CD2 3.81Å; F100-Y343 HydrophobicContact CD2-CD2 3.81Å; F100-Y343 HydrophobicContact CD2-CE2 4.42Å; F100-Y343 HydrophobicContact CE1-CD2 4.24Å; F100-Y343 HydrophobicContact CE2-CD2 4.22Å; F100-Y343 AromaticContact CG-CD2 3.59Å; F100-Y343 HydrophobicContact CG-CD2 3.59Å; F100-Y343 HydrophobicContact CG-CE2 4.36Å; F100-Y343 HydrophobicContact CG-CG 4.43Å; F100-Y343 HydrophobicContact CZ-CD2 4.41Å; F100-V346 HydrophobicContact CZ-CG2 4.26Å
101N94.4Very high93.8Very high97 Ų9740.7 Ų40.752%0.51923%0.231SC..  trans-133.8-33.2-177.2-70.1-71.6000113.2P59 E99P59-N101 WeakPolarHBondContact CG-O 3.33Å; E99-N101 PolarHBondContact O-N 3.18Å; E99-N101 VanDerWaalsContact O-N 3.14Å; E99-N101 PolarHBondContact O-ND2 3.14Å
102D94.9Very high93.2Very high47 Ų4741.9 Ų41.925%0.25124%0.243SC..  trans-113.2136.7-176.5-74.3-31.5000110.6K55 T92 Y104K55-D102 VanDerWaalsContact CE-OD1 3.22Å; K55-D102 WeakPolarHBondContact CE-OD1 3.24Å; K55-D102 VanDerWaalsContact CE-OD2 3.31Å; K55-D102 WeakPolarHBondContact CE-OD2 3.41Å; K55-D102 VanDerWaalsContact NZ-CG 3.35Å; K55-D102 IonicContact NZ-OD1 2.79Å; K55-D102 PolarHBondContact NZ-OD1 3.28Å; K55-D102 IonicContact NZ-OD2 3.91Å; K55-D102 PolarHBondContact NZ-OD2 2.65Å; T92-D102 VanDerWaalsContact CB-O 3.22Å; T92-D102 WeakPolarHBondContact CB-O 3.28Å; T92-D102 PolarHBondContact OG1-O 2.77Å; D102-Y104 HydrophobicContact CB-CD2 4.48Å; D102-Y104 HydrophobicContact CB-CE2 3.78Å
103V97.1Very high92.6Very high0 Ų043 Ų430%025%0.249CC..  trans-123130.9173.9-178.30000108.3L56 P59 F60 T69 V90 F100 L105 T342 V346L56-V103 HydrophobicContact CD1-CB 4Å; L56-V103 HydrophobicContact CD1-CG1 4.06Å; L56-V103 HydrophobicContact CG-CB 4.33Å; L56-V103 PolarHBondContact N-O 2.91Å; P59-V103 HydrophobicContact CG-CG2 4.49Å; F60-V103 HydrophobicContact CE2-CG2 4.44Å; F60-V103 HydrophobicContact CZ-CG2 4.11Å; T69-V103 HydrophobicContact CG2-CG2 4.44Å; V90-V103 HydrophobicContact CG2-CG1 4.26Å; F100-V103 HydrophobicContact CE1-CG2 4.45Å; F100-V103 HydrophobicContact CE2-CG2 3.63Å; F100-V103 HydrophobicContact CZ-CG2 3.41Å; F100-V103 VanDerWaalsContact CZ-CG2 3.41Å; V103-L105 HydrophobicContact CG1-CD2 4.21Å; V103-T342 HydrophobicContact CG2-CG2 4.34Å; V103-V346 HydrophobicContact CG1-CG2 4.5Å
104Y97.1Very high92Very high0 Ų042 Ų420%024%0.242CC..EExtended strand (participates in β ladder)trans-117.9129.3176.5-64.5-98.6000109.7W19 E20 V21 V53 K54 K55 V90 F91 P93 D102W19-Y104 HydrophobicContact CD2-CE1 4.16Å; W19-Y104 HydrophobicContact CE3-CD1 4.11Å; W19-Y104 AromaticContact CE3-CE1 3.66Å; W19-Y104 HydrophobicContact CE3-CE1 3.66Å; W19-Y104 HydrophobicContact CZ3-CD1 4.2Å; W19-Y104 HydrophobicContact CZ3-CE1 4.15Å; E20-Y104 PolarHBondContact N-OH 3.45Å; E20-Y104 VanDerWaalsContact N-OH 3.11Å; V21-Y104 HydrophobicContact CG1-CD1 4.25Å; V21-Y104 HydrophobicContact CG1-CE1 4.05Å; V53-Y104 HydrophobicContact CG1-CD1 4.15Å; K54-Y104 WeakPolarHBondContact O-CA 3.48Å; K55-Y104 HydrophobicContact CB-CD1 3.85Å; K55-Y104 HydrophobicContact CB-CE1 3.62Å; K55-Y104 HydrophobicContact CD-CE1 3.74Å; K55-Y104 WeakPolarHBondContact CD-OH 3.26Å; K55-Y104 WeakPolarHBondContact CE-OH 3.49Å; K55-Y104 HydrophobicContact CG-CD1 4.08Å; K55-Y104 HydrophobicContact CG-CE1 3.55Å; K55-Y104 PolarHBondContact NZ-OH 3Å; V90-Y104 WeakPolarHBondContact CA-O 3.27Å; V90-Y104 WeakPolarHBondContact CG2-O 3.45Å; F91-Y104 AromaticContact CD2-CD2 3.8Å; F91-Y104 HydrophobicContact CD2-CD2 3.8Å; F91-Y104 AromaticContact CD2-CG 3.89Å; F91-Y104 HydrophobicContact CD2-CG 3.89Å; F91-Y104 AromaticContact CE2-CD1 3.86Å; F91-Y104 HydrophobicContact CE2-CD1 3.86Å; F91-Y104 AromaticContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CD2 3.47Å; F91-Y104 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y104 HydrophobicContact CE2-CE2 4.23Å; F91-Y104 AromaticContact CE2-CG 3.26Å; F91-Y104 HydrophobicContact CE2-CG 3.26Å; F91-Y104 AromaticContact CZ-CD1 3.99Å; F91-Y104 HydrophobicContact CZ-CD1 3.99Å; F91-Y104 HydrophobicContact CZ-CD2 4.34Å; F91-Y104 AromaticContact CZ-CG 3.67Å; F91-Y104 HydrophobicContact CZ-CG 3.67Å; F91-Y104 PolarHBondContact N-O 3.33Å; F91-Y104 PolarHBondContact O-N 3.31Å; P93-Y104 HydrophobicContact CG-CE2 4.47Å; D102-Y104 HydrophobicContact CB-CD2 4.48Å; D102-Y104 HydrophobicContact CB-CE2 3.78Å
105L95.8Very high91.4Very high4 Ų443.6 Ų43.62%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-109.7132.6176.9-54172.3000108.5V53 K54 L56 E72 L73 L76 L87 V90 V103V53-L105 CarbonylContact C-O 2.97Å; V53-L105 WeakPolarHBondContact CA-O 3.38Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.31Å; K54-L105 PolarHBondContact O-N 2.91Å; L56-L105 HydrophobicContact CD1-CD1 4.39Å; L56-L105 HydrophobicContact CD2-CD1 4Å; L56-L105 HydrophobicContact CG-CD1 4.38Å; E72-L105 HydrophobicContact CG-CD1 4.35Å; L73-L105 HydrophobicContact CD1-CD2 3.96Å; L76-L105 HydrophobicContact CD1-CD1 3.75Å; L87-L105 HydrophobicContact CD1-CB 4.03Å; L87-L105 HydrophobicContact CD1-CD2 4.07Å; V90-L105 HydrophobicContact CB-CD2 4.37Å; V90-L105 HydrophobicContact CG2-CD2 3.91Å; V103-L105 HydrophobicContact CG1-CD2 4.21Å
106V95.8Very high90.8Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-115126.8177.6-172.60000109.1Y25 V51 A52 V53 L88 D89 F91Y25-V106 HydrophobicContact CE1-CG1 3.93Å; Y25-V106 HydrophobicContact CE1-CG2 4.36Å; Y25-V106 HydrophobicContact CE2-CG2 4.16Å; V51-V106 HydrophobicContact CB-CG1 3.71Å; V51-V106 HydrophobicContact CG1-CG1 4.1Å; V51-V106 HydrophobicContact CG2-CG1 3.81Å; A52-V106 WeakPolarHBondContact O-CA 3.23Å; V53-V106 HydrophobicContact CG1-CG2 4.31Å; V53-V106 HydrophobicContact CG2-CG1 4.46Å; V53-V106 HydrophobicContact CG2-CG2 4.26Å; L88-V106 HydrophobicContact CB-CG1 4.33Å; L88-V106 PolarHBondContact N-O 2.92Å; D89-V106 HydrophobicContact CB-CB 3.76Å; D89-V106 HydrophobicContact CB-CG1 4.45Å; D89-V106 HydrophobicContact CB-CG2 3.87Å; D89-V106 PolarHBondContact N-O 3.46Å; D89-V106 PolarHBondContact O-N 3.45Å; F91-V106 HydrophobicContact CD1-CG2 4.07Å; F91-V106 HydrophobicContact CE1-CG2 3.56Å
107T93.5Very high90Very high23 Ų2343.4 Ų43.414%0.14124%0.242CC..EExtended strand (participates in β ladder)trans-134.2172.9178.768.40000110.2V51 A52 I85 G86 L109V51-T107 CarbonylContact C-O 3.6Å; V51-T107 WeakPolarHBondContact CA-O 3.41Å; V51-T107 WeakPolarHBondContact CB-O 3.44Å; A52-T107 PolarHBondContact N-O 3.46Å; A52-T107 PolarHBondContact O-N 3.43Å; I85-T107 HydrophobicContact CD1-CG2 4.49Å; I85-T107 HydrophobicContact CG1-CG2 3.92Å; G86-T107 WeakPolarHBondContact O-CG2 3.38Å; T107-L109 PolarHBondContact O-N 3.16Å
108H89.6Confident89.1Confident58 Ų5842 Ų4227%0.26924%0.236SC..EExtended strand (participates in β ladder)trans-54.9138.4168-63.693.9000110.8I85 L88 M110I85-H108 HydrophobicContact CD1-CB 4.5Å; L88-H108 VanDerWaalsContact CD2-CE1 3.5Å; L88-H108 WeakPolarHBondContact CD2-CE1 3.3Å; H108-M110 PolarHBondContact O-N 2.84Å
109L89.9Confident88.3Confident54 Ų5441.9 Ų41.928%0.28323%0.233SC..PPolyproline II helixtrans-78.8118.7170.3-177.566.4000108.9V31 K50 A52 T107V31-L109 HydrophobicContact CG2-CD1 4.47Å; K50-L109 HydrophobicContact CB-CB 4.23Å; K50-L109 HydrophobicContact CB-CD2 3.83Å; K50-L109 HydrophobicContact CD-CD2 4.28Å; K50-L109 WeakPolarHBondContact O-CB 3.16Å; K50-L109 PolarHBondContact O-N 3.12Å; A52-L109 HydrophobicContact CB-CD1 4.05Å; T107-L109 PolarHBondContact O-N 3.16Å
110M85.8Confident87.4Confident32 Ų3242 Ų4216%0.15824%0.244CC..PPolyproline II helixtrans-94.8145.6172.3-56.7-62-69.400109.9H108 A158 K166H108-M110 PolarHBondContact O-N 2.84Å; M110-A158 HydrophobicContact CB-CB 3.44Å; M110-A158 VanDerWaalsContact CB-CB 3.44Å; M110-A158 HydrophobicContact CE-CB 4.34Å; M110-A158 WeakPolarHBondContact CE-O 3.43Å; M110-A158 HydrophobicContact CG-CB 3.6Å; M110-K166 HydrophobicContact CE-CB 3.99Å; M110-K166 HydrophobicContact CE-CD 4.27Å; M110-K166 HydrophobicContact CE-CG 3.86Å; M110-K166 HydrophobicContact SD-CB 4.29Å; M110-K166 HydrophobicContact SD-CD 3.77Å; M110-K166 HydrophobicContact SD-CG 4.04Å
111G77.9Confident86.4Confident67 Ų6748 Ų4869%0.69127%0.272SS*.SBendtrans-70.3-52.8-172.400000113.7V159G111-V159 PolarHBondContact N-O 2.82Å
112A83.2Confident85.7Confident38 Ų3853.4 Ų53.431%0.31429%0.291SS..EExtended strand (participates in β ladder)trans-140.3166.5179.300000111.1I117 A158 V159A112-I117 HydrophobicContact CB-CD1 4.43Å; A112-I117 HydrophobicContact CB-CG1 4.25Å; A112-A158 CarbonylContact O-C 3.59Å; A112-A158 WeakPolarHBondContact O-CA 3.41Å; A112-V159 PolarHBondContact N-O 3.49Å; A112-V159 PolarHBondContact O-N 3.33Å; A112-V159 VanDerWaalsContact O-O 3.07Å
113D84.6Confident85.5Confident39 Ų3952.9 Ų52.921%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-96.7156.1164.164.569.6000110.7N115 N116 I117 L157D113-N115 PolarHBondContact O-N 3.41Å; D113-N115 WeakPolarHBondContact OD1-CA 3.44Å; D113-N115 WeakPolarHBondContact OD1-CB 3.42Å; D113-N115 PolarHBondContact OD1-N 2.86Å; D113-N115 VanDerWaalsContact OD1-N 3.08Å; D113-N116 PolarHBondContact O-N 3.21Å; D113-N116 PolarHBondContact OD1-N 2.76Å; D113-N116 PolarHBondContact OD1-ND2 3.49Å; D113-N116 PolarHBondContact OD2-ND2 3.1Å; D113-I117 PolarHBondContact O-N 3.33Å; D113-L157 CarbonylContact C-O 3.45Å; D113-L157 WeakPolarHBondContact CA-O 3.26Å
114L84.9Confident85.4Confident0 Ų056.3 Ų56.30%031%0.309CS..Hα-helixtrans-61.5-31.2-177.8-168.363.6000111.6N116 I117 V118 L131 P154 L157 V159 I213 L217L114-N116 PolarHBondContact O-N 3.14Å; L114-I117 HydrophobicContact CD1-CB 4.39Å; L114-I117 PolarHBondContact O-N 2.87Å; L114-I117 VanDerWaalsContact O-N 3.15Å; L114-V118 HydrophobicContact CD1-CG2 4.39Å; L114-V118 HydrophobicContact CG-CG2 4.19Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.28Å; L114-V118 PolarHBondContact O-N 2.86Å; L114-L131 HydrophobicContact CD1-CD1 3.93Å; L114-P154 HydrophobicContact CB-CB 4.04Å; L114-P154 WeakPolarHBondContact CB-O 3.21Å; L114-P154 HydrophobicContact CD2-CB 4.49Å; L114-P154 HydrophobicContact CG-CB 4.35Å; L114-P154 PolarHBondContact N-O 3.34Å; L114-L157 HydrophobicContact CB-CB 4.04Å; L114-L157 HydrophobicContact CD2-CB 4.35Å; L114-L157 HydrophobicContact CD2-CD1 3.77Å; L114-L157 PolarHBondContact N-O 3.29Å; L114-V159 HydrophobicContact CD1-CG2 4.41Å; L114-I213 HydrophobicContact CD2-CG2 3.89Å; L114-L217 HydrophobicContact CD1-CD2 3.85Å; L114-L217 HydrophobicContact CD2-CD1 4.28Å; L114-L217 HydrophobicContact CD2-CD2 3.93Å; L114-L217 HydrophobicContact CG-CD2 3.96Å
115N83.5Confident85.3Confident47 Ų4758.5 Ų58.525%0.25132%0.321SS..Hα-helixtrans-60.5-31175.4162.185.3000112.6D113 K119 P154D113-N115 PolarHBondContact O-N 3.41Å; D113-N115 WeakPolarHBondContact OD1-CA 3.44Å; D113-N115 WeakPolarHBondContact OD1-CB 3.42Å; D113-N115 PolarHBondContact OD1-N 2.86Å; D113-N115 VanDerWaalsContact OD1-N 3.08Å; N115-K119 VanDerWaalsContact CG-NZ 3.32Å; N115-K119 PolarHBondContact ND2-NZ 3.33Å; N115-K119 VanDerWaalsContact ND2-NZ 3.14Å; N115-K119 WeakPolarHBondContact O-CD 3.43Å; N115-K119 WeakPolarHBondContact O-CE 3.46Å; N115-K119 WeakPolarHBondContact O-CG 3.25Å; N115-K119 WeakPolarHBondContact OD1-CE 3.29Å; N115-K119 PolarHBondContact OD1-NZ 3.09Å; N115-P154 HydrophobicContact CB-CB 3.81Å; N115-P154 PolarHBondContact N-O 2.9Å
116N79.9Confident85.3Confident74 Ų7462.4 Ų62.440%0.39634%0.342SS..Hα-helixtrans-80.2-37.9173.9-62.3-29.3000111.9D113 L114 K119 C120D113-N116 PolarHBondContact O-N 3.21Å; D113-N116 PolarHBondContact OD1-N 2.76Å; D113-N116 PolarHBondContact OD1-ND2 3.49Å; D113-N116 PolarHBondContact OD2-ND2 3.1Å; L114-N116 PolarHBondContact O-N 3.14Å; N116-K119 PolarHBondContact O-N 3.24Å; N116-C120 PolarHBondContact O-N 3.5Å; N116-C120 PolarHBondContact O-SG 2.86Å
117I79Confident85.2Confident32 Ų3266.2 Ų66.216%0.16436%0.36CS..Hα-helixtrans-62.1-48.6178.9-65.7174.5000111.2A112 D113 L114 K119 C120 Q121 L123 V159A112-I117 HydrophobicContact CB-CD1 4.43Å; A112-I117 HydrophobicContact CB-CG1 4.25Å; D113-I117 PolarHBondContact O-N 3.33Å; L114-I117 HydrophobicContact CD1-CB 4.39Å; L114-I117 PolarHBondContact O-N 2.87Å; L114-I117 VanDerWaalsContact O-N 3.15Å; I117-K119 PolarHBondContact O-N 3.13Å; I117-C120 PolarHBondContact O-N 3.47Å; I117-C120 VanDerWaalsContact O-N 3.09Å; I117-Q121 PolarHBondContact O-N 2.84Å; I117-L123 HydrophobicContact CG2-CD2 4.17Å; I117-V159 HydrophobicContact CD1-CB 3.6Å; I117-V159 HydrophobicContact CD1-CG1 3.84Å; I117-V159 HydrophobicContact CD1-CG2 4.07Å
118V78.3Confident85.4Confident20 Ų2065.2 Ų65.212%0.12135%0.353CS..Hα-helixtrans-61.4-30.9-178.8-179.30000112.7L114 E216 L217L114-V118 HydrophobicContact CD1-CG2 4.39Å; L114-V118 HydrophobicContact CG-CG2 4.19Å; L114-V118 VanDerWaalsContact O-CG2 3.3Å; L114-V118 WeakPolarHBondContact O-CG2 3.28Å; L114-V118 PolarHBondContact O-N 2.86Å; V118-E216 HydrophobicContact CG1-CG 4.18Å; V118-L217 HydrophobicContact CG2-CD2 3.28Å
119K77.8Confident85.7Confident145 Ų14562.9 Ų62.963%0.6334%0.342SS*.Hα-helixtrans-75.1-27.8178.7-72.1172.6-171.4159.70113N115 N116 I117N115-K119 VanDerWaalsContact CG-NZ 3.32Å; N115-K119 PolarHBondContact ND2-NZ 3.33Å; N115-K119 VanDerWaalsContact ND2-NZ 3.14Å; N115-K119 WeakPolarHBondContact O-CD 3.43Å; N115-K119 WeakPolarHBondContact O-CE 3.46Å; N115-K119 WeakPolarHBondContact O-CG 3.25Å; N115-K119 WeakPolarHBondContact OD1-CE 3.29Å; N115-K119 PolarHBondContact OD1-NZ 3.09Å; N116-K119 PolarHBondContact O-N 3.24Å; I117-K119 PolarHBondContact O-N 3.13Å
120C75Confident86Confident105 Ų10563.3 Ų63.371%0.70934%0.342SS*.Hα-helixtrans-99.3-25.6-171.4-69.20000113.1N116 I117N116-C120 PolarHBondContact O-N 3.5Å; N116-C120 PolarHBondContact O-SG 2.86Å; I117-C120 PolarHBondContact O-N 3.47Å; I117-C120 VanDerWaalsContact O-N 3.09Å
121Q76.5Confident86.6Confident127 Ų12762 Ų6259%0.59334%0.336SS*.  trans-138.4144.8-170.4-58.7-172.611.200112.3I117I117-Q121 PolarHBondContact O-N 2.84Å
122K80.3Confident87.5Confident209 Ų20958.8 Ų58.891%0.90930%0.303SS*.PPolyproline II helixtrans-84.2125.3164.4-69.6-173.2179.1-176.30108.3
123L90.1Very high88.3Confident36 Ų3657.6 Ų57.619%0.18829%0.29CS..PPolyproline II helixtrans-86.2146.7177.9-61174.8000110.3I117 H127 V128 L131 L217I117-L123 HydrophobicContact CG2-CD2 4.17Å; L123-H127 HydrophobicContact CB-CB 4.08Å; L123-H127 HydrophobicContact CD2-CB 4.11Å; L123-V128 HydrophobicContact CB-CG2 4.09Å; L123-L131 HydrophobicContact CD1-CD1 4.02Å; L123-L217 HydrophobicContact CD1-CB 4.31Å; L123-L217 HydrophobicContact CD1-CD2 3.52Å; L123-L217 HydrophobicContact CD1-CG 4.39Å
124T94.3Very high88.9Confident72 Ų7256.2 Ų56.244%0.44228%0.282SS..PPolyproline II helixtrans-81.7165.1170.258.60000109.1D126 H127 V128T124-D126 VanDerWaalsContact C-N 3.26Å; T124-D126 PolarHBondContact O-N 3.14Å; T124-H127 PolarHBondContact N-ND1 3.06Å; T124-H127 PolarHBondContact O-N 3.02Å; T124-H127 VanDerWaalsContact OG1-CG 3.27Å; T124-H127 PolarHBondContact OG1-N 3.38Å; T124-H127 PolarHBondContact OG1-ND1 2.89Å; T124-V128 WeakPolarHBondContact O-CG2 3.41Å; T124-V128 PolarHBondContact O-N 2.88Å
125D96Very high89.6Confident46 Ų4656.2 Ų56.225%0.24628%0.282CS..Hα-helixtrans-57-41.4175-169.352.1000111.3H127 V128 Q129 N279 Y308D125-H127 PolarHBondContact O-N 2.9Å; D125-V128 PolarHBondContact O-N 3.18Å; D125-V128 VanDerWaalsContact O-N 3.12Å; D125-Q129 VanDerWaalsContact O-CB 3.31Å; D125-Q129 WeakPolarHBondContact O-CB 3.33Å; D125-Q129 PolarHBondContact O-N 3.48Å; D125-N279 WeakPolarHBondContact OD2-CB 3.41Å; D125-N279 PolarHBondContact OD2-ND2 3.42Å; D125-Y308 WeakPolarHBondContact OD1-CE2 3.36Å; D125-Y308 PolarHBondContact OD1-OH 2.74Å
126D95.8Very high90.3Very high87 Ų8754 Ų5447%0.46527%0.27SS..Hα-helixtrans-61.2-40.5177.3-57.5-24.4000112.5T124 Q129 F130T124-D126 VanDerWaalsContact C-N 3.26Å; T124-D126 PolarHBondContact O-N 3.14Å; D126-Q129 PolarHBondContact O-N 2.84Å; D126-F130 WeakPolarHBondContact O-CB 3.15Å; D126-F130 PolarHBondContact O-N 3.36Å
127H94.3Very high91.2Very high80 Ų8050.9 Ų50.937%0.3725%0.253SS..Hα-helixtrans-63.8-42.5174.1-66.9144.9000111.4L123 T124 D125 L131L123-H127 HydrophobicContact CB-CB 4.08Å; L123-H127 HydrophobicContact CD2-CB 4.11Å; T124-H127 PolarHBondContact N-ND1 3.06Å; T124-H127 PolarHBondContact O-N 3.02Å; T124-H127 VanDerWaalsContact OG1-CG 3.27Å; T124-H127 PolarHBondContact OG1-N 3.38Å; T124-H127 PolarHBondContact OG1-ND1 2.89Å; D125-H127 PolarHBondContact O-N 2.9Å; H127-L131 WeakPolarHBondContact O-CB 3.24Å; H127-L131 WeakPolarHBondContact O-CD1 3.37Å; H127-L131 VanDerWaalsContact O-CG 3.24Å; H127-L131 WeakPolarHBondContact O-CG 3.42Å; H127-L131 PolarHBondContact O-N 3.45Å
128V95.9Very high92.1Very high2 Ų249.4 Ų49.41%0.01225%0.246CC..Hα-helixtrans-63.8-46.4176.9178.70000110.4L123 T124 D125 F130 L131 I132 M214 L217 L218L123-V128 HydrophobicContact CB-CG2 4.09Å; T124-V128 WeakPolarHBondContact O-CG2 3.41Å; T124-V128 PolarHBondContact O-N 2.88Å; D125-V128 PolarHBondContact O-N 3.18Å; D125-V128 VanDerWaalsContact O-N 3.12Å; V128-F130 PolarHBondContact O-N 2.92Å; V128-L131 PolarHBondContact O-N 3.47Å; V128-I132 HydrophobicContact CG1-CG1 4Å; V128-I132 WeakPolarHBondContact O-CB 3.2Å; V128-I132 VanDerWaalsContact O-CG1 3.27Å; V128-I132 WeakPolarHBondContact O-CG1 3.41Å; V128-I132 PolarHBondContact O-N 2.89Å; V128-M214 HydrophobicContact CG1-CG 4.27Å; V128-L217 HydrophobicContact CG1-CB 4.19Å; V128-L217 HydrophobicContact CG1-CD1 4.35Å; V128-L217 HydrophobicContact CG2-CB 3.84Å; V128-L218 HydrophobicContact CB-CD2 4.4Å; V128-L218 HydrophobicContact CG1-CD2 4.09Å; V128-L218 HydrophobicContact CG1-CG 4.18Å; V128-L218 HydrophobicContact CG2-CD2 4.22Å
129Q97.4Very high93Very high8 Ų848.4 Ų48.44%0.03724%0.24CC..Hα-helixtrans-55.5-49.5178.2-167.2-172.645.700111D125 D126 Y133 Y308 F309 Y312D125-Q129 VanDerWaalsContact O-CB 3.31Å; D125-Q129 WeakPolarHBondContact O-CB 3.33Å; D125-Q129 PolarHBondContact O-N 3.48Å; D126-Q129 PolarHBondContact O-N 2.84Å; Q129-Y133 WeakPolarHBondContact O-CB 3.47Å; Q129-Y133 PolarHBondContact O-N 2.76Å; Q129-Y308 HydrophobicContact CB-CE1 4.1Å; Q129-Y308 VanDerWaalsContact CD-O 3.26Å; Q129-Y308 HydrophobicContact CG-CD1 4.38Å; Q129-Y308 HydrophobicContact CG-CE1 4.14Å; Q129-Y308 HydrophobicContact CG-CE2 4.44Å; Q129-Y308 WeakPolarHBondContact CG-O 3.22Å; Q129-Y308 PolarHBondContact NE2-O 2.55Å; Q129-F309 HydrophobicContact CG-CD1 3.94Å; Q129-F309 HydrophobicContact CG-CE1 4.38Å; Q129-F309 WeakPolarHBondContact O-CE1 3.26Å; Q129-Y312 HydrophobicContact CB-CE2 4.04Å; Q129-Y312 HydrophobicContact CG-CD2 3.97Å; Q129-Y312 HydrophobicContact CG-CE2 3.65Å
130F96.5Very high94Very high63 Ų6342.8 Ų42.828%0.27622%0.215SC..Hα-helixtrans-67.9-41.8-179.3-172.3-128.1000113.2D126 V128 Q134 C163 Y312D126-F130 WeakPolarHBondContact O-CB 3.15Å; D126-F130 PolarHBondContact O-N 3.36Å; V128-F130 PolarHBondContact O-N 2.92Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.33Å; F130-Q134 HydrophobicContact CE2-CG 4.31Å; F130-Q134 HydrophobicContact CZ-CG 4.46Å; F130-Q134 WeakPolarHBondContact O-CG 3.44Å; F130-Q134 PolarHBondContact O-N 3.46Å; F130-Q134 VanDerWaalsContact O-N 3.11Å; F130-Q134 PolarHBondContact O-NE2 3.06Å; F130-C163 HydrophobicContact CD1-CB 4.09Å; F130-C163 HydrophobicContact CE1-CB 4.13Å; F130-Y312 HydrophobicContact CB-CE2 4.02Å; F130-Y312 AromaticContact CD2-CD1 3.92Å; F130-Y312 HydrophobicContact CD2-CD1 3.92Å; F130-Y312 AromaticContact CD2-CE1 3.75Å; F130-Y312 HydrophobicContact CD2-CE1 3.75Å; F130-Y312 HydrophobicContact CD2-CE2 4.35Å; F130-Y312 HydrophobicContact CD2-CG 4.32Å; F130-Y312 HydrophobicContact CE2-CD1 4.4Å; F130-Y312 HydrophobicContact CE2-CE1 4.41Å; F130-Y312 HydrophobicContact CG-CE1 4.43Å
131L96.8Very high95.1Very high4 Ų438.5 Ų38.52%0.02118%0.184CC..Hα-helixtrans-67.2-44.6178.3-71.3168.6000111.9L114 L123 H127 V128 Q134 I135 V159 L165L114-L131 HydrophobicContact CD1-CD1 3.93Å; L123-L131 HydrophobicContact CD1-CD1 4.02Å; H127-L131 WeakPolarHBondContact O-CB 3.24Å; H127-L131 WeakPolarHBondContact O-CD1 3.37Å; H127-L131 VanDerWaalsContact O-CG 3.24Å; H127-L131 WeakPolarHBondContact O-CG 3.42Å; H127-L131 PolarHBondContact O-N 3.45Å; V128-L131 PolarHBondContact O-N 3.47Å; L131-Q134 PolarHBondContact O-N 2.84Å; L131-I135 WeakPolarHBondContact O-CD1 2.99Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.41Å; L131-I135 PolarHBondContact O-N 3.48Å; L131-I135 VanDerWaalsContact O-N 3.08Å; L131-V159 HydrophobicContact CD2-CG1 4.2Å; L131-V159 HydrophobicContact CD2-CG2 4.14Å; L131-L165 HydrophobicContact CD2-CB 4.46Å; L131-L165 HydrophobicContact CD2-CD1 4.09Å
132I98.3Very high96Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-67.9-38.2178.3-61.5-56.3000111V128 Q134 I135 L136 V210 I213 M214 L217 M289 F309V128-I132 HydrophobicContact CG1-CG1 4Å; V128-I132 WeakPolarHBondContact O-CB 3.2Å; V128-I132 VanDerWaalsContact O-CG1 3.27Å; V128-I132 WeakPolarHBondContact O-CG1 3.41Å; V128-I132 PolarHBondContact O-N 2.89Å; I132-Q134 PolarHBondContact O-N 3.23Å; I132-I135 HydrophobicContact CD1-CD1 3.96Å; I132-I135 PolarHBondContact O-N 2.98Å; I132-L136 HydrophobicContact CG2-CD1 3.88Å; I132-L136 HydrophobicContact CG2-CG 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.32Å; I132-L136 PolarHBondContact O-N 3.24Å; I132-V210 HydrophobicContact CD1-CG1 4.39Å; I132-V210 HydrophobicContact CG2-CG1 3.96Å; I132-I213 HydrophobicContact CD1-CG2 4.39Å; I132-M214 HydrophobicContact CD1-CB 3.7Å; I132-M214 HydrophobicContact CD1-CG 4.27Å; I132-M214 HydrophobicContact CG1-CB 3.96Å; I132-M214 HydrophobicContact CG1-CG 3.96Å; I132-M214 HydrophobicContact CG1-SD 4.35Å; I132-M214 HydrophobicContact CG2-SD 4.32Å; I132-L217 HydrophobicContact CD1-CD1 3.78Å; I132-L217 HydrophobicContact CG1-CD1 4.26Å; I132-M289 HydrophobicContact CG2-CE 4.48Å; I132-F309 HydrophobicContact CB-CE1 4.1Å; I132-F309 HydrophobicContact CB-CZ 4.14Å; I132-F309 HydrophobicContact CG2-CE1 4.07Å; I132-F309 HydrophobicContact CG2-CZ 3.59Å
133Y98.6Very high96.8Very high14 Ų1423.4 Ų23.46%0.05512%0.117CC..Hα-helixtrans-54.6-52.2173172.8-100.7000111.3Q129 I135 L136 R137 L304 F309 Y312 E318Q129-Y133 WeakPolarHBondContact O-CB 3.47Å; Q129-Y133 PolarHBondContact O-N 2.76Å; Y133-I135 VanDerWaalsContact C-N 3.33Å; Y133-I135 PolarHBondContact O-N 3.39Å; Y133-L136 PolarHBondContact O-N 3.31Å; Y133-L136 VanDerWaalsContact O-N 3.14Å; Y133-R137 WeakPolarHBondContact O-CB 2.91Å; Y133-R137 PolarHBondContact O-N 3.37Å; Y133-L304 HydrophobicContact CD2-CD2 3.61Å; Y133-L304 HydrophobicContact CE2-CD2 3.53Å; Y133-F309 HydrophobicContact CD2-CB 4.07Å; Y133-F309 HydrophobicContact CD2-CD1 4.42Å; Y133-F309 HydrophobicContact CD2-CG 4.23Å; Y133-Y312 HydrophobicContact CD1-CG 4.5Å; Y133-Y312 PolarHBondContact OH-O 3.11Å; Y133-E318 WeakPolarHBondContact CE2-OE1 3.5Å; Y133-E318 PolarHBondContact OH-OE1 3.08Å
134Q98.4Very high97.1Very high9 Ų923.5 Ų23.54%0.04212%0.12CC..Hα-helixtrans-62-37.7179.3-72.217982.100113.2N83 F130 L131 I132 G138 C163 L165N83-Q134 VanDerWaalsContact CB-O 3.26Å; N83-Q134 WeakPolarHBondContact CB-O 3.39Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.39Å; N83-Q134 WeakPolarHBondContact ND2-CG 3.47Å; N83-Q134 PolarHBondContact ND2-OE1 3.5Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.13Å; F130-Q134 VanDerWaalsContact CD1-NE2 3.33Å; F130-Q134 HydrophobicContact CE2-CG 4.31Å; F130-Q134 HydrophobicContact CZ-CG 4.46Å; F130-Q134 WeakPolarHBondContact O-CG 3.44Å; F130-Q134 PolarHBondContact O-N 3.46Å; F130-Q134 VanDerWaalsContact O-N 3.11Å; F130-Q134 PolarHBondContact O-NE2 3.06Å; L131-Q134 PolarHBondContact O-N 2.84Å; I132-Q134 PolarHBondContact O-N 3.23Å; Q134-G138 PolarHBondContact O-N 2.88Å; Q134-C163 PolarHBondContact NE2-O 3.42Å; Q134-L165 HydrophobicContact CB-CB 4.04Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å
135I98.4Very high97Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-62.9-47174.3-65161000110.2L131 I132 Y133 G138 L139 L157 L165 V210 I213L131-I135 WeakPolarHBondContact O-CD1 2.99Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.41Å; L131-I135 PolarHBondContact O-N 3.48Å; L131-I135 VanDerWaalsContact O-N 3.08Å; I132-I135 HydrophobicContact CD1-CD1 3.96Å; I132-I135 PolarHBondContact O-N 2.98Å; Y133-I135 VanDerWaalsContact C-N 3.33Å; Y133-I135 PolarHBondContact O-N 3.39Å; I135-G138 PolarHBondContact O-N 2.93Å; I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.84Å; I135-L157 HydrophobicContact CD1-CD1 3.51Å; I135-L157 HydrophobicContact CD1-CD2 4.42Å; I135-L157 HydrophobicContact CG1-CD1 4.04Å; I135-L157 HydrophobicContact CG1-CD2 4.01Å; I135-L165 HydrophobicContact CD1-CD1 3.91Å; I135-L165 HydrophobicContact CG1-CD1 3.53Å; I135-L165 HydrophobicContact CG1-CD2 3.74Å; I135-L165 HydrophobicContact CG1-CG 4.31Å; I135-V210 HydrophobicContact CG2-CG2 3.68Å; I135-I213 HydrophobicContact CD1-CG2 4.48Å
136L98.8Very high96.8Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-66.8-38.1-179.9-70.2169.8000112.2I132 Y133 L139 K140 I207 V210 M289 A303 L304 F309I132-L136 HydrophobicContact CG2-CD1 3.88Å; I132-L136 HydrophobicContact CG2-CG 4.24Å; I132-L136 WeakPolarHBondContact O-CG 3.32Å; I132-L136 PolarHBondContact O-N 3.24Å; Y133-L136 PolarHBondContact O-N 3.31Å; Y133-L136 VanDerWaalsContact O-N 3.14Å; L136-L139 PolarHBondContact O-N 2.94Å; L136-K140 PolarHBondContact O-N 2.8Å; L136-I207 HydrophobicContact CD2-CD1 3.93Å; L136-V210 HydrophobicContact CD2-CG1 4.15Å; L136-V210 HydrophobicContact CG-CG1 4.42Å; L136-M289 HydrophobicContact CD1-CE 3.91Å; L136-M289 HydrophobicContact CD2-CE 4.04Å; L136-M289 HydrophobicContact CG-CE 4.45Å; L136-A303 HydrophobicContact CD1-CB 3.73Å; L136-A303 HydrophobicContact CD2-CB 3.97Å; L136-A303 HydrophobicContact CG-CB 4.46Å; L136-L304 HydrophobicContact CB-CD2 3.8Å; L136-L304 HydrophobicContact CB-CG 3.96Å; L136-F309 HydrophobicContact CD1-CD2 4.39Å; L136-F309 HydrophobicContact CD1-CE2 3.44Å; L136-F309 VanDerWaalsContact CD1-CE2 3.44Å; L136-F309 HydrophobicContact CD1-CZ 3.65Å
137R98.6Very high96.6Very high10 Ų1017.7 Ų17.74%0.0389%0.087CC..Hα-helixtrans-61.5-50.5175.7-172.4-180173.3-108.98110.9H81 E82 N83 Y133 L139 K140 Y141 L304 D317 E318H81-R137 PolarHBondContact CE1-NH1 3.24Å; E82-R137 IonicContact OE2-CZ 3.4Å; E82-R137 IonicContact OE2-NH1 2.82Å; E82-R137 PolarHBondContact OE2-NH1 3.48Å; E82-R137 IonicContact OE2-NH2 3.15Å; E82-R137 PolarHBondContact OE2-NH2 2.82Å; E82-R137 VanDerWaalsContact OE2-NH2 3.11Å; N83-R137 WeakPolarHBondContact OD1-CD 2.99Å; N83-R137 PolarHBondContact OD1-NH1 3.5Å; Y133-R137 WeakPolarHBondContact O-CB 2.91Å; Y133-R137 PolarHBondContact O-N 3.37Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 2.92Å; R137-K140 PolarHBondContact O-N 3.11Å; R137-Y141 PolarHBondContact O-N 3.27Å; R137-L304 HydrophobicContact CB-CD2 4.22Å; R137-D317 VanDerWaalsContact CZ-O 3.25Å; R137-D317 IonicContact CZ-OD1 2.86Å; R137-D317 PolarHBondContact NE-O 2.94Å; R137-D317 PolarHBondContact NH2-O 3.44Å; R137-D317 IonicContact NH2-OD1 3.72Å; R137-D317 PolarHBondContact NH2-OD1 3.38Å; R137-D317 IonicContact NH2-OD2 3.41Å; R137-E318 HydrophobicContact CG-CG 4.27Å
138G98.1Very high96.4Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-62-35.7173.800000113.1Q134 I135 Y141 I142Q134-G138 PolarHBondContact O-N 2.88Å; I135-G138 PolarHBondContact O-N 2.93Å; G138-Y141 PolarHBondContact O-N 3.31Å; G138-I142 WeakPolarHBondContact O-CD1 3.3Å; G138-I142 VanDerWaalsContact O-CG1 3.28Å; G138-I142 WeakPolarHBondContact O-CG1 2.94Å; G138-I142 PolarHBondContact O-N 3.48Å
139L97.9Very high96.2Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-72.3-36.9-179.8-16562.7000112.7I135 L136 R137 Y141 I142 H143 L152 D206 I207 V210 A300I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.84Å; L136-L139 PolarHBondContact O-N 2.94Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 2.92Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.44Å; L139-I142 PolarHBondContact O-N 3.09Å; L139-H143 VanDerWaalsContact CD1-NE2 3.28Å; L139-H143 WeakPolarHBondContact CD1-NE2 3.41Å; L139-H143 WeakPolarHBondContact CG-CE1 3.49Å; L139-H143 VanDerWaalsContact O-CB 3.26Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.39Å; L139-L152 HydrophobicContact CD1-CD1 4.08Å; L139-L152 HydrophobicContact CD2-CD1 4.24Å; L139-D206 HydrophobicContact CD1-CB 3.83Å; L139-D206 HydrophobicContact CD2-CB 3.7Å; L139-D206 HydrophobicContact CG-CB 4.31Å; L139-I207 HydrophobicContact CD2-CD1 3.78Å; L139-V210 HydrophobicContact CD2-CG2 4.09Å; L139-A300 HydrophobicContact CB-CB 4.34Å; L139-A300 HydrophobicContact CG-CB 4.44Å
140K98.2Very high95.7Very high26 Ų2614.9 Ų14.911%0.1137%0.073CC..Hα-helixtrans-54.8-49.3170.2175.8-174.5179.3-172.30110.6L136 R137 I142 H143 S144 A300 L304 E318L136-K140 PolarHBondContact O-N 2.8Å; R137-K140 PolarHBondContact O-N 3.11Å; K140-I142 PolarHBondContact O-N 3.27Å; K140-H143 PolarHBondContact O-N 3.01Å; K140-S144 PolarHBondContact O-N 3.3Å; K140-A300 HydrophobicContact CB-CB 4.15Å; K140-L304 HydrophobicContact CB-CD1 3.96Å; K140-L304 HydrophobicContact CD-CD1 3.71Å; K140-L304 HydrophobicContact CG-CD1 4.43Å; K140-E318 HydrophobicContact CD-CB 4.25Å; K140-E318 WeakPolarHBondContact CE-O 3.36Å; K140-E318 PolarHBondContact NZ-O 3.37Å; K140-E318 IonicContact NZ-OE2 3.89Å
141Y97.9Very high95.2Very high16 Ų1612.4 Ų12.46%0.0636%0.062CC..Hα-helixtrans-60-44.6177.5-177.7-86.3000112.4M79 K80 H81 V84 R137 G138 L139 S144 A321M79-Y141 HydrophobicContact SD-CD1 4.01Å; M79-Y141 HydrophobicContact SD-CE1 3.69Å; K80-Y141 PolarHBondContact N-OH 3.08Å; K80-Y141 PolarHBondContact O-OH 3.47Å; H81-Y141 HydrophobicContact CB-CD1 3.72Å; H81-Y141 HydrophobicContact CB-CD2 3.91Å; H81-Y141 HydrophobicContact CB-CE1 3.95Å; H81-Y141 HydrophobicContact CB-CE2 4.09Å; H81-Y141 HydrophobicContact CB-CG 3.72Å; H81-Y141 AromaticContact CD2-CD2 3.54Å; H81-Y141 AromaticContact CD2-CG 3.62Å; H81-Y141 AromaticContact CG-CG 3.79Å; V84-Y141 HydrophobicContact CG2-CD1 4.48Å; R137-Y141 PolarHBondContact O-N 3.27Å; G138-Y141 PolarHBondContact O-N 3.31Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.44Å; Y141-S144 PolarHBondContact O-OG 3.38Å; Y141-S144 VanDerWaalsContact O-OG 3.08Å; Y141-A321 HydrophobicContact CD1-CB 3.93Å; Y141-A321 HydrophobicContact CD2-CB 3.96Å; Y141-A321 HydrophobicContact CE1-CB 3.58Å; Y141-A321 VanDerWaalsContact CE2-CA 3.44Å; Y141-A321 HydrophobicContact CE2-CB 3.65Å; Y141-A321 HydrophobicContact CG-CB 4.1Å; Y141-A321 VanDerWaalsContact CZ-CB 3.42Å; Y141-A321 VanDerWaalsContact O-CB 3.28Å; Y141-A321 WeakPolarHBondContact O-CB 3.43Å
142I96.1Very high95Very high0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-64.2-45.1177.8-66.9161.8000110.7M79 V84 G138 L139 K140 A145 I147 I167 F170M79-I142 HydrophobicContact SD-CG1 4.23Å; V84-I142 HydrophobicContact CG1-CD1 4.43Å; V84-I142 HydrophobicContact CG1-CG1 4.5Å; V84-I142 HydrophobicContact CG2-CD1 3.89Å; V84-I142 HydrophobicContact CG2-CG1 3.95Å; G138-I142 WeakPolarHBondContact O-CD1 3.3Å; G138-I142 VanDerWaalsContact O-CG1 3.28Å; G138-I142 WeakPolarHBondContact O-CG1 2.94Å; G138-I142 PolarHBondContact O-N 3.48Å; L139-I142 PolarHBondContact O-N 3.09Å; K140-I142 PolarHBondContact O-N 3.27Å; I142-A145 PolarHBondContact O-N 2.95Å; I142-I147 HydrophobicContact CG2-CB 3.8Å; I142-I147 HydrophobicContact CG2-CG2 3.69Å; I142-I147 WeakPolarHBondContact CG2-O 3.4Å; I142-I147 PolarHBondContact O-N 3.45Å; I142-I167 HydrophobicContact CD1-CD1 3.95Å; I142-I167 HydrophobicContact CD1-CG2 4.14Å; I142-F170 HydrophobicContact CD1-CE1 3.77Å; I142-F170 HydrophobicContact CD1-CZ 3.79Å; I142-F170 HydrophobicContact CG1-CE1 4.05Å; I142-F170 HydrophobicContact CG1-CZ 4.19Å; I142-F170 HydrophobicContact CG2-CE1 4.34Å
143H95.9Very high94.7Very high18 Ų1813.7 Ų13.78%0.0837%0.068CC..Hα-helixtrans-67.6-34.9-177.4-72.7-177.9000112.1L139 K140 A145 D146 I147 M203 D206L139-H143 VanDerWaalsContact CD1-NE2 3.28Å; L139-H143 WeakPolarHBondContact CD1-NE2 3.41Å; L139-H143 WeakPolarHBondContact CG-CE1 3.49Å; L139-H143 VanDerWaalsContact O-CB 3.26Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.39Å; K140-H143 PolarHBondContact O-N 3.01Å; H143-A145 PolarHBondContact O-N 3.02Å; H143-D146 PolarHBondContact O-N 3.19Å; H143-I147 PolarHBondContact CD2-O 2.89Å; H143-I147 VanDerWaalsContact CD2-O 3.3Å; H143-M203 HydrophobicContact CB-CG 4.3Å; H143-M203 HydrophobicContact CB-SD 3.66Å; H143-M203 PolarHBondContact CE1-O 2.9Å; H143-M203 PolarHBondContact NE2-O 3.46Å; H143-M203 WeakPolarHBondContact O-CE 3.37Å; H143-D206 IonicContact CD2-OD2 3.37Å; H143-D206 IonicContact CE1-OD2 3.88Å; H143-D206 IonicContact NE2-OD2 3.09Å; H143-D206 PolarHBondContact NE2-OD2 2.98Å
144S96.2Very high94.4Very high38 Ų3813.2 Ų13.227%0.2667%0.066SC..Hα-helixtrans-67.8-16.217778.50000113.7K140 Y141 D146 E320 A321K140-S144 PolarHBondContact O-N 3.3Å; Y141-S144 PolarHBondContact O-OG 3.38Å; Y141-S144 VanDerWaalsContact O-OG 3.08Å; S144-D146 VanDerWaalsContact C-N 3.33Å; S144-E320 WeakPolarHBondContact OG-CA 3.33Å; S144-E320 WeakPolarHBondContact OG-CB 3.33Å; S144-A321 PolarHBondContact OG-N 3.21Å
145A93.8Very high93.8Very high1 Ų115.2 Ų15.21%0.0088%0.082CC..THydrogen-bonded Turntrans-92.314.4171.800000113.6I142 H143 I147 A321 Q326I142-A145 PolarHBondContact O-N 2.95Å; H143-A145 PolarHBondContact O-N 3.02Å; A145-I147 VanDerWaalsContact C-N 3.26Å; A145-I147 HydrophobicContact CB-CD1 3.78Å; A145-I147 HydrophobicContact CB-CG1 4.36Å; A145-I147 PolarHBondContact O-N 3.42Å; A145-A321 HydrophobicContact CB-CB 3.72Å; A145-Q326 PolarHBondContact O-NE2 2.88Å
146D91.3Very high93.5Very high83 Ų8315.8 Ų15.844%0.4449%0.085SC..THydrogen-bonded Turntrans59.832.1-176.5-64.4-47.4000114.2H143 S144 H175 M203 Q326H143-D146 PolarHBondContact O-N 3.19Å; S144-D146 VanDerWaalsContact C-N 3.33Å; D146-H175 PolarHBondContact O-CD2 3.29Å; D146-M203 VanDerWaalsContact CA-CE 3.46Å; D146-M203 HydrophobicContact CB-CE 4.27Å; D146-M203 WeakPolarHBondContact OD1-CE 3.35Å; D146-Q326 PolarHBondContact O-NE2 2.87Å
147I91.2Very high93.2Very high0 Ų015.8 Ų15.80%09%0.085CC..  trans-109.5134.9-179.9-63.4156.3000109.7L75 M79 I142 H143 A145 A173 Y324 Q326L75-I147 HydrophobicContact CD2-CD1 3.43Å; L75-I147 VanDerWaalsContact CD2-CD1 3.43Å; L75-I147 HydrophobicContact CD2-CG1 4.03Å; L75-I147 HydrophobicContact CD2-CG2 4.33Å; M79-I147 HydrophobicContact CE-CD1 3.22Å; I142-I147 HydrophobicContact CG2-CB 3.8Å; I142-I147 HydrophobicContact CG2-CG2 3.69Å; I142-I147 WeakPolarHBondContact CG2-O 3.4Å; I142-I147 PolarHBondContact O-N 3.45Å; H143-I147 PolarHBondContact CD2-O 2.89Å; H143-I147 VanDerWaalsContact CD2-O 3.3Å; A145-I147 VanDerWaalsContact C-N 3.26Å; A145-I147 HydrophobicContact CB-CD1 3.78Å; A145-I147 HydrophobicContact CB-CG1 4.36Å; A145-I147 PolarHBondContact O-N 3.42Å; I147-A173 HydrophobicContact CG2-CB 3.92Å; I147-Y324 HydrophobicContact CD1-CD1 3.53Å; I147-Y324 HydrophobicContact CD1-CE1 4.22Å; I147-Y324 HydrophobicContact CD1-CG 3.98Å; I147-Y324 HydrophobicContact CG1-CD1 3.75Å; I147-Y324 HydrophobicContact CG1-CE1 4.37Å; I147-Q326 VanDerWaalsContact CG1-NE2 3.34Å
148I90.3Very high92.9Very high1 Ų115.5 Ų15.51%0.0058%0.084CC..BIsolated β-bridgetrans-107.6132.5169.8-48.1179.4000108.8R150 A173 R174 T176 Y201 M203 V205 D206I148-R150 HydrophobicContact CB-CG 3.9Å; I148-R150 HydrophobicContact CG2-CG 3.43Å; I148-R150 VanDerWaalsContact CG2-CG 3.43Å; I148-A173 WeakPolarHBondContact O-CA 3.49Å; I148-A173 VanDerWaalsContact O-CB 3.28Å; I148-A173 WeakPolarHBondContact O-CB 3.21Å; I148-R174 PolarHBondContact N-O 3.18Å; I148-R174 PolarHBondContact O-N 3.08Å; I148-T176 HydrophobicContact CD1-CG2 3.87Å; I148-T176 HydrophobicContact CG1-CG2 4.07Å; I148-Y201 HydrophobicContact CD1-CD2 4.39Å; I148-Y201 HydrophobicContact CD1-CE2 4.39Å; I148-M203 HydrophobicContact CG1-CG 3.97Å; I148-V205 HydrophobicContact CG2-CG2 3.37Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.47Å
149H91.5Very high92.6Very high1 Ų115.7 Ų15.71%0.0059%0.085CC..  trans-73.1-46.4178.8-173.6-38000112.6D151 L152 I167 L168 D169 D206H149-D151 PolarHBondContact ND1-N 2.82Å; H149-D151 PolarHBondContact O-N 2.9Å; H149-L152 HydrophobicContact CB-CG 4.13Å; H149-L152 WeakPolarHBondContact CD2-CD2 3.44Å; H149-I167 WeakPolarHBondContact CD2-CG2 3.25Å; H149-L168 PolarHBondContact CE1-O 3.09Å; H149-L168 PolarHBondContact NE2-O 2.79Å; H149-D169 PolarHBondContact CE1-O 3.4Å; H149-D169 VanDerWaalsContact CE1-O 3.3Å; H149-D206 PolarHBondContact N-OD2 2.79Å
150R87Confident92Very high29 Ų2917.5 Ų17.511%0.10910%0.095CC..  trans66-5.8175.5-55.8177.357.3-162.9-1.6118I148 M180 Y201 D206I148-R150 HydrophobicContact CB-CG 3.9Å; I148-R150 HydrophobicContact CG2-CG 3.43Å; I148-R150 VanDerWaalsContact CG2-CG 3.43Å; R150-M180 PolarHBondContact NH1-SD 2.95Å; R150-Y201 PolarHBondContact NE-OH 3.34Å; R150-Y201 VanDerWaalsContact NE-OH 3.13Å; R150-Y201 PolarHBondContact NH2-OH 2.64Å; R150-D206 PolarHBondContact N-OD1 2.97Å
151D86.6Confident91.2Very high11 Ų1125.2 Ų25.26%0.05913%0.132CC..  trans-139.433.3-179.8-162.539.3000110.9H149 K153 N156 L172H149-D151 PolarHBondContact ND1-N 2.82Å; H149-D151 PolarHBondContact O-N 2.9Å; D151-K153 PolarHBondContact O-N 3.32Å; D151-K153 IonicContact OD1-NZ 3.47Å; D151-K153 PolarHBondContact OD1-NZ 3.46Å; D151-K153 VanDerWaalsContact OD1-NZ 3.09Å; D151-K153 IonicContact OD2-NZ 2.84Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å; D151-N156 PolarHBondContact O-ND2 3.27Å; D151-L172 HydrophobicContact CB-CD1 3.98Å
152L92.4Very high90.5Very high2 Ų230.1 Ų30.11%0.0116%0.159CC..  trans-62.6125.4170.5-82.7-179.3000109.9L139 H149 L157 I167 Y189 D206 V210L139-L152 HydrophobicContact CD1-CD1 4.08Å; L139-L152 HydrophobicContact CD2-CD1 4.24Å; H149-L152 HydrophobicContact CB-CG 4.13Å; H149-L152 WeakPolarHBondContact CD2-CD2 3.44Å; L152-L157 HydrophobicContact CD2-CD2 4.07Å; L152-I167 HydrophobicContact CD2-CG2 4Å; L152-Y189 VanDerWaalsContact O-CB 3.32Å; L152-Y189 WeakPolarHBondContact O-CB 3.37Å; L152-D206 HydrophobicContact CD1-CB 3.85Å; L152-V210 HydrophobicContact CD1-CG2 4.15Å
153K90.8Very high90.1Very high28 Ų2832.1 Ų32.112%0.12217%0.173CC..  trans-161.9161.7178.161-170.4166.9-148.30108.5D151 S155 N156 Y189D151-K153 PolarHBondContact O-N 3.32Å; D151-K153 IonicContact OD1-NZ 3.47Å; D151-K153 PolarHBondContact OD1-NZ 3.46Å; D151-K153 VanDerWaalsContact OD1-NZ 3.09Å; D151-K153 IonicContact OD2-NZ 2.84Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å; K153-S155 WeakPolarHBondContact CD-OG 3.35Å; K153-S155 VanDerWaalsContact CE-OG 3.26Å; K153-S155 WeakPolarHBondContact CE-OG 3.24Å; K153-S155 WeakPolarHBondContact CG-OG 3.16Å; K153-S155 PolarHBondContact O-N 3.13Å; K153-N156 WeakPolarHBondContact CE-ND2 3.37Å; K153-N156 WeakPolarHBondContact CE-OD1 3.28Å; K153-N156 HydrophobicContact CG-CB 4.22Å; K153-N156 PolarHBondContact O-N 3.36Å; K153-Y189 HydrophobicContact CB-CD2 3.48Å; K153-Y189 VanDerWaalsContact CB-CD2 3.48Å; K153-Y189 HydrophobicContact CB-CE2 3.93Å; K153-Y189 HydrophobicContact CB-CG 4.01Å
154P91.9Very high89.8Confident4 Ų436.2 Ų36.23%0.02619%0.192CC..G310 helixtrans-59.8-25.1-175.4-25.935.3000115L114 N115 N156 L157 Y189 I213L114-P154 HydrophobicContact CB-CB 4.04Å; L114-P154 WeakPolarHBondContact CB-O 3.21Å; L114-P154 HydrophobicContact CD2-CB 4.49Å; L114-P154 HydrophobicContact CG-CB 4.35Å; L114-P154 PolarHBondContact N-O 3.34Å; N115-P154 HydrophobicContact CB-CB 3.81Å; N115-P154 PolarHBondContact N-O 2.9Å; P154-N156 VanDerWaalsContact C-N 3.28Å; P154-N156 PolarHBondContact O-N 2.64Å; P154-L157 PolarHBondContact O-N 3.16Å; P154-Y189 VanDerWaalsContact CD-CE1 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 HydrophobicContact CG-CE2 4.43Å; P154-I213 HydrophobicContact CG-CG1 4.12Å
155S87.1Confident89.7Confident52 Ų5234.5 Ų34.536%0.36418%0.179SC..G310 helixtrans-74.5-15174.369.50000114.5K153K153-S155 WeakPolarHBondContact CD-OG 3.35Å; K153-S155 VanDerWaalsContact CE-OG 3.26Å; K153-S155 WeakPolarHBondContact CE-OG 3.24Å; K153-S155 WeakPolarHBondContact CG-OG 3.16Å; K153-S155 PolarHBondContact O-N 3.13Å
156N91.3Very high89.8Confident12 Ų1236.2 Ų36.26%0.06419%0.187CC..G310 helixtrans-101.510.6177.3-70.84.4000111.3D151 K153 P154 L168D151-N156 PolarHBondContact O-ND2 3.27Å; K153-N156 WeakPolarHBondContact CE-ND2 3.37Å; K153-N156 WeakPolarHBondContact CE-OD1 3.28Å; K153-N156 HydrophobicContact CG-CB 4.22Å; K153-N156 PolarHBondContact O-N 3.36Å; P154-N156 VanDerWaalsContact C-N 3.28Å; P154-N156 PolarHBondContact O-N 2.64Å; N156-L168 WeakPolarHBondContact O-CB 3.39Å; N156-L168 PolarHBondContact O-N 3.44Å
157L93.7Very high90Very high0 Ų032.2 Ų32.20%017%0.166CC..EExtended strand (participates in β ladder)trans-118.8105.8176.3-64.1176.3000107.2D113 L114 I135 L152 P154 L165 I167 I213D113-L157 CarbonylContact C-O 3.45Å; D113-L157 WeakPolarHBondContact CA-O 3.26Å; L114-L157 HydrophobicContact CB-CB 4.04Å; L114-L157 HydrophobicContact CD2-CB 4.35Å; L114-L157 HydrophobicContact CD2-CD1 3.77Å; L114-L157 PolarHBondContact N-O 3.29Å; I135-L157 HydrophobicContact CD1-CD1 3.51Å; I135-L157 HydrophobicContact CD1-CD2 4.42Å; I135-L157 HydrophobicContact CG1-CD1 4.04Å; I135-L157 HydrophobicContact CG1-CD2 4.01Å; L152-L157 HydrophobicContact CD2-CD2 4.07Å; P154-L157 PolarHBondContact O-N 3.16Å; L157-L165 HydrophobicContact CB-CD1 4.19Å; L157-L165 HydrophobicContact CD2-CD1 4.46Å; L157-L165 HydrophobicContact CD2-CD2 4.2Å; L157-I167 HydrophobicContact CD2-CG1 3.88Å; L157-I213 HydrophobicContact CD1-CD1 3.85Å; L157-I213 HydrophobicContact CD1-CG2 4.21Å
158A91.4Very high89.9Confident4 Ų434.4 Ų34.43%0.03318%0.177CC..EExtended strand (participates in β ladder)trans-98.9141.9-178.900000110.8M110 A112 L165 K166 L168M110-A158 HydrophobicContact CB-CB 3.44Å; M110-A158 VanDerWaalsContact CB-CB 3.44Å; M110-A158 HydrophobicContact CE-CB 4.34Å; M110-A158 WeakPolarHBondContact CE-O 3.43Å; M110-A158 HydrophobicContact CG-CB 3.6Å; A112-A158 CarbonylContact O-C 3.59Å; A112-A158 WeakPolarHBondContact O-CA 3.41Å; A158-L165 CarbonylContact O-C 3.58Å; A158-L165 VanDerWaalsContact O-CA 3.27Å; A158-L165 WeakPolarHBondContact O-CA 3.15Å; A158-K166 PolarHBondContact N-O 2.95Å; A158-K166 PolarHBondContact O-N 3.36Å; A158-L168 HydrophobicContact CB-CD1 3.57Å; A158-L168 HydrophobicContact CB-CD2 4.04Å; A158-L168 HydrophobicContact CB-CG 3.84Å
159V91.1Very high89.4Confident3 Ų336 Ų362%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-135.8139.1-170.1-173.50000109.1G111 A112 L114 I117 L131 E164 L165G111-V159 PolarHBondContact N-O 2.82Å; A112-V159 PolarHBondContact N-O 3.49Å; A112-V159 PolarHBondContact O-N 3.33Å; A112-V159 VanDerWaalsContact O-O 3.07Å; L114-V159 HydrophobicContact CD1-CG2 4.41Å; I117-V159 HydrophobicContact CD1-CB 3.6Å; I117-V159 HydrophobicContact CD1-CG1 3.84Å; I117-V159 HydrophobicContact CD1-CG2 4.07Å; L131-V159 HydrophobicContact CD2-CG1 4.2Å; L131-V159 HydrophobicContact CD2-CG2 4.14Å; V159-E164 VanDerWaalsContact CA-O 3.25Å; V159-E164 WeakPolarHBondContact CA-O 3.28Å; V159-L165 HydrophobicContact CG2-CB 4.35Å; V159-L165 HydrophobicContact CG2-CD1 4.13Å; V159-L165 HydrophobicContact CG2-CG 4.33Å
160N85.5Confident88.4Confident39 Ų3936 Ų3621%0.20919%0.185CC..  trans-97.5-174.5174.876.3-6000112.2D162 C163 E164N160-D162 PolarHBondContact ND2-OD2 2.63Å; N160-D162 PolarHBondContact O-N 3.28Å; N160-D162 PolarHBondContact OD1-N 2.94Å; N160-D162 VanDerWaalsContact OD1-N 3.1Å; N160-C163 PolarHBondContact O-N 3.21Å; N160-C163 PolarHBondContact OD1-N 2.96Å; N160-E164 PolarHBondContact N-O 3.11Å; N160-E164 VanDerWaalsContact N-O 3.09Å; N160-E164 PolarHBondContact ND2-OE2 3.43Å; N160-E164 VanDerWaalsContact OD1-CB 3.3Å; N160-E164 WeakPolarHBondContact OD1-CB 3.33Å; N160-E164 PolarHBondContact OD1-N 3.38Å
161E81.3Confident87.3Confident187 Ų18734.6 Ų34.687%0.87418%0.18SC*.THydrogen-bonded Turntrans-66.4-24.6-178-63.9-178.9-176.900112.7C163E161-C163 VanDerWaalsContact C-N 3.3Å; E161-C163 PolarHBondContact O-N 3.42Å
162D83.9Confident86.2Confident119 Ų11935.4 Ų35.464%0.63618%0.184SC*.THydrogen-bonded Turntrans-90.19.4179.9-49.6-65.3000113.1N160 E164N160-D162 PolarHBondContact ND2-OD2 2.63Å; N160-D162 PolarHBondContact O-N 3.28Å; N160-D162 PolarHBondContact OD1-N 2.94Å; N160-D162 VanDerWaalsContact OD1-N 3.1Å; D162-E164 HydrophobicContact CB-CG 4.24Å; D162-E164 PolarHBondContact O-N 3.02Å
163C86.9Confident84.8Confident43 Ų4335.3 Ų35.329%0.29118%0.184SC..  trans62.720.5-174.7-62.20000114.8F130 Q134 N160 E161F130-C163 HydrophobicContact CD1-CB 4.09Å; F130-C163 HydrophobicContact CE1-CB 4.13Å; Q134-C163 PolarHBondContact NE2-O 3.42Å; N160-C163 PolarHBondContact O-N 3.21Å; N160-C163 PolarHBondContact OD1-N 2.96Å; E161-C163 VanDerWaalsContact C-N 3.3Å; E161-C163 PolarHBondContact O-N 3.42Å
164E90.1Very high83.6Confident104 Ų10436.6 Ų36.649%0.48619%0.188SC..  trans-75.4130.3170.9-57.1175.7153.800110V159 N160 D162V159-E164 VanDerWaalsContact CA-O 3.25Å; V159-E164 WeakPolarHBondContact CA-O 3.28Å; N160-E164 PolarHBondContact N-O 3.11Å; N160-E164 VanDerWaalsContact N-O 3.09Å; N160-E164 PolarHBondContact ND2-OE2 3.43Å; N160-E164 VanDerWaalsContact OD1-CB 3.3Å; N160-E164 WeakPolarHBondContact OD1-CB 3.33Å; N160-E164 PolarHBondContact OD1-N 3.38Å; D162-E164 HydrophobicContact CB-CG 4.24Å; D162-E164 PolarHBondContact O-N 3.02Å
165L95Very high81.8Confident1 Ų138.5 Ų38.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-111.4136.7-173.7179.4149000111.3N83 L131 Q134 I135 L157 A158 V159 I167N83-L165 VanDerWaalsContact CA-O 3.23Å; N83-L165 WeakPolarHBondContact CA-O 3.29Å; N83-L165 PolarHBondContact ND2-O 3.39Å; L131-L165 HydrophobicContact CD2-CB 4.46Å; L131-L165 HydrophobicContact CD2-CD1 4.09Å; Q134-L165 HydrophobicContact CB-CB 4.04Å; Q134-L165 HydrophobicContact CB-CD2 4.37Å; I135-L165 HydrophobicContact CD1-CD1 3.91Å; I135-L165 HydrophobicContact CG1-CD1 3.53Å; I135-L165 HydrophobicContact CG1-CD2 3.74Å; I135-L165 HydrophobicContact CG1-CG 4.31Å; L157-L165 HydrophobicContact CB-CD1 4.19Å; L157-L165 HydrophobicContact CD2-CD1 4.46Å; L157-L165 HydrophobicContact CD2-CD2 4.2Å; A158-L165 CarbonylContact O-C 3.58Å; A158-L165 VanDerWaalsContact O-CA 3.27Å; A158-L165 WeakPolarHBondContact O-CA 3.15Å; V159-L165 HydrophobicContact CG2-CB 4.35Å; V159-L165 HydrophobicContact CG2-CD1 4.13Å; V159-L165 HydrophobicContact CG2-CG 4.33Å; L165-I167 HydrophobicContact CD2-CG1 4.16Å
166K95.5Very high80.2Confident37 Ų3737.6 Ų37.616%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-124130.7166.8-64.5-171.3-170.1-73.20111.3E82 I85 M110 A158 L168E82-K166 WeakPolarHBondContact O-CG 3.24Å; E82-K166 PolarHBondContact O-NZ 2.78Å; I85-K166 HydrophobicContact CD1-CD 3.97Å; M110-K166 HydrophobicContact CE-CB 3.99Å; M110-K166 HydrophobicContact CE-CD 4.27Å; M110-K166 HydrophobicContact CE-CG 3.86Å; M110-K166 HydrophobicContact SD-CB 4.29Å; M110-K166 HydrophobicContact SD-CD 3.77Å; M110-K166 HydrophobicContact SD-CG 4.04Å; A158-K166 PolarHBondContact N-O 2.95Å; A158-K166 PolarHBondContact O-N 3.36Å; K166-L168 HydrophobicContact CB-CD2 4.46Å
167I95.8Very high78.2Confident0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-72.3130.7171-62.4171.5000109.3N83 I85 I142 H149 L152 L157 L165 F170N83-I167 WeakPolarHBondContact O-CG1 3.42Å; N83-I167 PolarHBondContact O-N 2.85Å; I85-I167 WeakPolarHBondContact CB-O 3.36Å; I85-I167 VanDerWaalsContact CG2-O 3.29Å; I85-I167 WeakPolarHBondContact CG2-O 3.45Å; I85-I167 PolarHBondContact N-O 2.97Å; I142-I167 HydrophobicContact CD1-CD1 3.95Å; I142-I167 HydrophobicContact CD1-CG2 4.14Å; H149-I167 WeakPolarHBondContact CD2-CG2 3.25Å; L152-I167 HydrophobicContact CD2-CG2 4Å; L157-I167 HydrophobicContact CD2-CG1 3.88Å; L165-I167 HydrophobicContact CD2-CG1 4.16Å; I167-F170 HydrophobicContact CG2-CZ 4.49Å
168L89.8Confident76Confident46 Ų4645.4 Ų45.424%0.24123%0.23CC..  trans-115.5168-176.1-52.4-169.6000113.2I85 H149 N156 A158 K166I85-L168 HydrophobicContact CB-CD2 3.67Å; I85-L168 HydrophobicContact CD1-CD2 4.04Å; I85-L168 HydrophobicContact CG1-CD2 3.91Å; I85-L168 HydrophobicContact CG2-CD2 4.03Å; H149-L168 PolarHBondContact CE1-O 3.09Å; H149-L168 PolarHBondContact NE2-O 2.79Å; N156-L168 WeakPolarHBondContact O-CB 3.39Å; N156-L168 PolarHBondContact O-N 3.44Å; A158-L168 HydrophobicContact CB-CD1 3.57Å; A158-L168 HydrophobicContact CB-CD2 4.04Å; A158-L168 HydrophobicContact CB-CG 3.84Å; K166-L168 HydrophobicContact CB-CD2 4.46Å
169D78.6Confident73.6Confident34 Ų3454.2 Ų54.218%0.18227%0.271CS..  trans57.779.5167.7-1654.7000115.8H149 G171H149-D169 PolarHBondContact CE1-O 3.4Å; H149-D169 VanDerWaalsContact CE1-O 3.3Å; D169-G171 PolarHBondContact O-N 2.92Å; D169-G171 PolarHBondContact OD1-N 3.44Å
170F71.2Confident71.6Confident1 Ų154.9 Ų54.90%0.00427%0.274CS..G310 helixtrans-80.79.4169.5-66.8-79.5000114L75 L76 M79 V84 I85 I142 I167 L172 A173L75-F170 HydrophobicContact CB-CB 4.1Å; L75-F170 HydrophobicContact CB-CG 4.37Å; L75-F170 HydrophobicContact CD1-CB 3.71Å; L75-F170 HydrophobicContact CD1-CG 4.42Å; L76-F170 HydrophobicContact CD2-CD2 4.4Å; M79-F170 HydrophobicContact CG-CE2 4.25Å; M79-F170 HydrophobicContact CG-CZ 4.2Å; V84-F170 HydrophobicContact CG1-CE2 3.63Å; V84-F170 HydrophobicContact CG1-CZ 3.38Å; I85-F170 HydrophobicContact CG2-CD2 4.45Å; I85-F170 HydrophobicContact CG2-CE2 4.08Å; I142-F170 HydrophobicContact CD1-CE1 3.77Å; I142-F170 HydrophobicContact CD1-CZ 3.79Å; I142-F170 HydrophobicContact CG1-CE1 4.05Å; I142-F170 HydrophobicContact CG1-CZ 4.19Å; I142-F170 HydrophobicContact CG2-CE1 4.34Å; I167-F170 HydrophobicContact CG2-CZ 4.49Å; F170-L172 PolarHBondContact O-N 2.99Å; F170-A173 HydrophobicContact CB-CB 4.12Å; F170-A173 HydrophobicContact CD1-CB 3.93Å; F170-A173 WeakPolarHBondContact O-CB 3.47Å; F170-A173 PolarHBondContact O-N 2.93Å
171G62.4Low69.5Low0 Ų058.2 Ų58.20%030%0.296CS..G310 helixtrans-61.9-17-173.500000114.2R68 R71 D169R68-G171 WeakPolarHBondContact CG-O 3.47Å; R68-G171 PolarHBondContact NE-O 2.86Å; R71-G171 PolarHBondContact NH2-O 3.2Å; D169-G171 PolarHBondContact O-N 2.92Å; D169-G171 PolarHBondContact OD1-N 3.44Å
172L65.1Low67.6Low28 Ų2853 Ų5315%0.14729%0.293CS..G310 helixtrans-113.3-1.9175.6-61.6180000114D151 F170D151-L172 HydrophobicContact CB-CD1 3.98Å; F170-L172 PolarHBondContact O-N 2.99Å
173A62.3Low65.9Low0 Ų052.6 Ų52.60%028%0.283CS..  trans-68143-177.700000111.3R71 L75 I147 I148 F170R71-A173 WeakPolarHBondContact CD-O 3.02Å; R71-A173 PolarHBondContact NE-O 3.28Å; R71-A173 VanDerWaalsContact NE-O 3.08Å; L75-A173 HydrophobicContact CD1-CB 3.9Å; I147-A173 HydrophobicContact CG2-CB 3.92Å; I148-A173 WeakPolarHBondContact O-CA 3.49Å; I148-A173 VanDerWaalsContact O-CB 3.28Å; I148-A173 WeakPolarHBondContact O-CB 3.21Å; F170-A173 HydrophobicContact CB-CB 4.12Å; F170-A173 HydrophobicContact CD1-CB 3.93Å; F170-A173 WeakPolarHBondContact O-CB 3.47Å; F170-A173 PolarHBondContact O-N 2.93Å
174R65.5Low64Low55 Ų5556.1 Ų56.121%0.20830%0.303CS..BIsolated β-bridgetrans-154.9170.9-177.7-58.8-162.8-150.9176.2-3.5111.7R71 I148 M180R71-R174 VanDerWaalsContact NH1-CG 3.33Å; I148-R174 PolarHBondContact N-O 3.18Å; I148-R174 PolarHBondContact O-N 3.08Å; R174-M180 HydrophobicContact CB-CE 3.63Å; R174-M180 HydrophobicContact CB-SD 4.47Å; R174-M180 VanDerWaalsContact CD-SD 3.55Å; R174-M180 HydrophobicContact CG-CE 4.28Å; R174-M180 HydrophobicContact CG-SD 4.5Å; R174-M180 PolarHBondContact NH1-SD 2.81Å
175H53.9Low62.4Low44 Ų4452.7 Ų52.720%0.20429%0.292CS..  trans-64.2162.3171.4-162.1-101.9000112.7D146 D177 M180D146-H175 PolarHBondContact O-CD2 3.29Å; H175-D177 VanDerWaalsContact C-N 3.27Å; H175-D177 IonicContact CE1-OD2 2.74Å; H175-D177 PolarHBondContact ND1-N 2.86Å; H175-D177 IonicContact ND1-OD2 2.69Å; H175-D177 PolarHBondContact O-N 2.99Å; H175-M180 WeakPolarHBondContact O-CE 3.39Å
176T54.6Low61.1Low32 Ų3256 Ų5620%0.19631%0.313CS..THydrogen-bonded Turntrans-65.6-24.7178.353.70000114.3I148 M203I148-T176 HydrophobicContact CD1-CG2 3.87Å; I148-T176 HydrophobicContact CG1-CG2 4.07Å; T176-M203 HydrophobicContact CG2-CE 3.84Å; T176-M203 HydrophobicContact CG2-CG 4.03Å
177D48.3Very low60.5Low125 Ų12556.4 Ų56.467%0.66831%0.313SS*.THydrogen-bonded Turntrans-106.3-4.7-161.6-65.5-9000115.8H175H175-D177 VanDerWaalsContact C-N 3.27Å; H175-D177 IonicContact CE1-OD2 2.74Å; H175-D177 PolarHBondContact ND1-N 2.86Å; H175-D177 IonicContact ND1-OD2 2.69Å; H175-D177 PolarHBondContact O-N 2.99Å
178D47.1Very low60.3Low52 Ų5260.7 Ų60.728%0.27833%0.329SS..SBendtrans-79.5155-178.3-62.7-36.1000112.7M180D178-M180 HydrophobicContact CB-CE 3.53Å; D178-M180 HydrophobicContact CB-SD 4.13Å; D178-M180 WeakPolarHBondContact O-CG 3.22Å
179E41.6Very low60.5Low189 Ų18959.1 Ų59.188%0.88332%0.32SS*.  trans-76.1134.4170.1-74.3-172.2164.500111.6
180M49.3Very low61Low17 Ų1758.5 Ų58.58%0.08432%0.315CS..  trans-131.6125.6-157.4-59.1-72.7-162.700113.4R150 R174 H175 D178 Y201R150-M180 PolarHBondContact NH1-SD 2.95Å; R174-M180 HydrophobicContact CB-CE 3.63Å; R174-M180 HydrophobicContact CB-SD 4.47Å; R174-M180 VanDerWaalsContact CD-SD 3.55Å; R174-M180 HydrophobicContact CG-CE 4.28Å; R174-M180 HydrophobicContact CG-SD 4.5Å; R174-M180 PolarHBondContact NH1-SD 2.81Å; H175-M180 WeakPolarHBondContact O-CE 3.39Å; D178-M180 HydrophobicContact CB-CE 3.53Å; D178-M180 HydrophobicContact CB-SD 4.13Å; D178-M180 WeakPolarHBondContact O-CG 3.22Å; M180-Y201 HydrophobicContact CB-CE1 4.23Å; M180-Y201 WeakPolarHBondContact CB-OH 3.47Å; M180-Y201 HydrophobicContact CG-CE1 4.38Å; M180-Y201 WeakPolarHBondContact CG-OH 3.48Å
181T41.1Very low62Low109 Ų10958.5 Ų58.567%0.66932%0.315SS*.  trans-84.3145.9-177.7530000113.2Y183T181-Y183 PolarHBondContact O-N 2.88Å
182G42Very low63.4Low78 Ų7858.5 Ų58.580%0.80432%0.316SS*.  trans-71.9121.8174.700000111.8
183Y48.1Very low64.4Low110 Ų11057.2 Ų57.243%0.43131%0.309SS..  trans-109.3145.5179.2-175.6-109.6000112Y36 T181 A185 R190Y36-Y183 PolarHBondContact OH-OH 2.59Å; Y36-Y183 VanDerWaalsContact OH-OH 3.13Å; T181-Y183 PolarHBondContact O-N 2.88Å; Y183-A185 HydrophobicContact CD1-CB 3.98Å; Y183-A185 HydrophobicContact CE1-CB 3.83Å; Y183-A185 PolarHBondContact O-N 3.48Å; Y183-R190 PolarHBondContact O-NH1 2.88Å
184V46.8Very low65.2Low116 Ų11658.3 Ų58.370%0.70332%0.315SS*.  trans-96.196.1-178.7-173.20000109.7
185A56.8Low65.6Low32 Ų3257 Ų5726%0.26431%0.311SS..SBendtrans-140-174.8165.500000109.3Y183 R187Y183-A185 HydrophobicContact CD1-CB 3.98Å; Y183-A185 HydrophobicContact CE1-CB 3.83Å; Y183-A185 PolarHBondContact O-N 3.48Å; A185-R187 PolarHBondContact O-N 3.08Å
186T66.6Low66.3Low71 Ų7156.8 Ų56.844%0.43631%0.311SS..  trans-51.3114.4173.8-50.80000110.1W188T186-W188 HydrophobicContact CG2-CB 4.34Å; T186-W188 HydrophobicContact CG2-CD2 3.77Å; T186-W188 HydrophobicContact CG2-CE3 3.78Å; T186-W188 HydrophobicContact CG2-CG 4.02Å; T186-W188 HydrophobicContact CG2-CZ3 4.43Å
187R82.9Confident67.1Low46 Ų4660 Ų6017%0.17433%0.327CS..  trans-91.7-6.2-171.368.8-17272.190.6-3.3114.1A185 Y189 R190 M195 G226 T227 Q232A185-R187 PolarHBondContact O-N 3.08Å; R187-Y189 PolarHBondContact O-N 2.97Å; R187-Y189 VanDerWaalsContact O-N 3.12Å; R187-R190 PolarHBondContact O-N 3.47Å; R187-M195 HydrophobicContact CB-CE 4.03Å; R187-M195 HydrophobicContact CB-SD 4.39Å; R187-M195 HydrophobicContact CG-CE 4.09Å; R187-G226 PolarHBondContact NH1-O 3.06Å; R187-G226 VanDerWaalsContact NH1-O 3.13Å; R187-T227 PolarHBondContact NH1-O 2.94Å; R187-Q232 HydrophobicContact CG-CG 4.49Å
188W92.1Very high68.1Low89 Ų8954 Ų5434%0.33730%0.295SS..THydrogen-bonded Turntrans-61-27.8-165-59.8-24.9000115.2T186 T222 F224 G226 Q232T186-W188 HydrophobicContact CG2-CB 4.34Å; T186-W188 HydrophobicContact CG2-CD2 3.77Å; T186-W188 HydrophobicContact CG2-CE3 3.78Å; T186-W188 HydrophobicContact CG2-CG 4.02Å; T186-W188 HydrophobicContact CG2-CZ3 4.43Å; W188-T222 HydrophobicContact CB-CG2 3.86Å; W188-T222 HydrophobicContact CD2-CG2 3.91Å; W188-T222 HydrophobicContact CE3-CG2 3.65Å; W188-T222 HydrophobicContact CG-CG2 4.04Å; W188-T222 HydrophobicContact CZ3-CG2 4.4Å; W188-F224 WeakPolarHBondContact CB-O 3.19Å; W188-G226 PolarHBondContact NE1-O 2.83Å; W188-Q232 PolarHBondContact O-NE2 3.28Å
189Y93.6Very high69Low13 Ų1352.2 Ų52.25%0.05129%0.285CS..THydrogen-bonded Turntrans-103.8-0.6-178.1-51.3-82.5000113L152 K153 P154 R187 S209 C212 I213 E216L152-Y189 VanDerWaalsContact O-CB 3.32Å; L152-Y189 WeakPolarHBondContact O-CB 3.37Å; K153-Y189 HydrophobicContact CB-CD2 3.48Å; K153-Y189 VanDerWaalsContact CB-CD2 3.48Å; K153-Y189 HydrophobicContact CB-CE2 3.93Å; K153-Y189 HydrophobicContact CB-CG 4.01Å; P154-Y189 VanDerWaalsContact CD-CE1 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.84Å; P154-Y189 HydrophobicContact CG-CE2 4.43Å; R187-Y189 PolarHBondContact O-N 2.97Å; R187-Y189 VanDerWaalsContact O-N 3.12Å; Y189-S209 VanDerWaalsContact O-CA 3.28Å; Y189-S209 WeakPolarHBondContact O-CA 3.19Å; Y189-S209 WeakPolarHBondContact O-CB 3.5Å; Y189-S209 PolarHBondContact O-OG 3.23Å; Y189-C212 HydrophobicContact CD1-CB 3.8Å; Y189-I213 HydrophobicContact CD1-CG1 3.76Å; Y189-I213 HydrophobicContact CE1-CG1 4.05Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.43Å; Y189-E216 VanDerWaalsContact CZ-OE2 3.24Å; Y189-E216 PolarHBondContact OH-OE2 3.13Å
190R90.8Very high70.3Confident21 Ų2151.4 Ų51.48%0.07928%0.281CS..SBendtrans-80140.4-175.9-66.8-176.2179.6176.5-1.4110.9Y183 R187 M195 W208Y183-R190 PolarHBondContact O-NH1 2.88Å; R187-R190 PolarHBondContact O-N 3.47Å; R190-M195 HydrophobicContact CB-CG 3.76Å; R190-M195 HydrophobicContact CB-SD 4.16Å; R190-W208 PolarHBondContact O-NE1 3.06Å
191A92Very high71.4Confident1 Ų151.6 Ų51.61%0.00828%0.281CS..  trans-62.4142.5172.100000111.1E193 I194 M195 V205 W208A191-E193 VanDerWaalsContact CB-CD 3.41Å; A191-E193 HydrophobicContact CB-CG 4.27Å; A191-E193 VanDerWaalsContact CB-OE1 3.25Å; A191-E193 WeakPolarHBondContact CB-OE1 3.38Å; A191-E193 WeakPolarHBondContact CB-OE2 3.31Å; A191-E193 PolarHBondContact O-N 3.07Å; A191-E193 VanDerWaalsContact O-N 3.16Å; A191-I194 PolarHBondContact O-N 2.79Å; A191-I194 VanDerWaalsContact O-N 3.11Å; A191-M195 PolarHBondContact O-N 2.83Å; A191-V205 HydrophobicContact CB-CB 4.01Å; A191-V205 HydrophobicContact CB-CG1 4.07Å; A191-W208 HydrophobicContact CB-CB 3.74Å; A191-W208 HydrophobicContact CB-CD2 4.48Å; A191-W208 HydrophobicContact CB-CG 3.8Å
192P90.4Very high73.3Confident1 Ų149 Ų491%0.00626%0.263CS..Hα-helixtrans-58.7-30.7-17621.5-31.5000112.8M195 L196 W198 W208 L233 I236 L292P192-M195 PolarHBondContact O-N 3.15Å; P192-L196 PolarHBondContact O-N 2.94Å; P192-L196 VanDerWaalsContact O-N 3.11Å; P192-W198 HydrophobicContact CB-CH2 4.35Å; P192-W198 HydrophobicContact CB-CZ2 3.98Å; P192-W198 HydrophobicContact CG-CZ2 4.46Å; P192-W208 HydrophobicContact CG-CH2 4.31Å; P192-W208 HydrophobicContact CG-CZ2 4.37Å; P192-W208 HydrophobicContact CG-CZ3 4.46Å; P192-L233 HydrophobicContact CB-CD1 4.19Å; P192-I236 HydrophobicContact CB-CD1 4.24Å; P192-L292 HydrophobicContact CG-CD2 3.75Å
193E86.7Confident75.6Confident0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-67.4-35.7176.962-84-163.800115.1A191 N197 W198 M199 V205 T294 R297A191-E193 VanDerWaalsContact CB-CD 3.41Å; A191-E193 HydrophobicContact CB-CG 4.27Å; A191-E193 VanDerWaalsContact CB-OE1 3.25Å; A191-E193 WeakPolarHBondContact CB-OE1 3.38Å; A191-E193 WeakPolarHBondContact CB-OE2 3.31Å; A191-E193 PolarHBondContact O-N 3.07Å; A191-E193 VanDerWaalsContact O-N 3.16Å; E193-N197 WeakPolarHBondContact O-CA 3.43Å; E193-N197 PolarHBondContact O-N 3.41Å; E193-N197 VanDerWaalsContact O-N 3.08Å; E193-W198 VanDerWaalsContact CA-CD1 3.43Å; E193-W198 VanDerWaalsContact CB-NE1 3.26Å; E193-M199 HydrophobicContact CB-CE 3.55Å; E193-M199 HydrophobicContact CB-CG 3.92Å; E193-M199 HydrophobicContact CG-CE 3.98Å; E193-V205 HydrophobicContact CG-CG1 4.03Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.38Å; E193-T294 HydrophobicContact CG-CG2 3.98Å; E193-T294 WeakPolarHBondContact OE1-CG2 3.07Å; E193-R297 IonicContact OE1-CZ 2.74Å; E193-R297 IonicContact OE1-NH1 3.82Å; E193-R297 PolarHBondContact OE1-NH1 3.14Å; E193-R297 IonicContact OE1-NH2 3.55Å; E193-R297 PolarHBondContact OE1-NH2 3.16Å; E193-R297 IonicContact OE2-NH2 3.8Å; E193-R297 PolarHBondContact OE2-NH2 2.76Å
194I80Confident77.7Confident24 Ų2442.3 Ų42.312%0.12322%0.216CC..Hα-helixtrans-69.6-40.5171.7-68.8-176.5000109.9A191 L196 Y201 V205A191-I194 PolarHBondContact O-N 2.79Å; A191-I194 VanDerWaalsContact O-N 3.11Å; I194-L196 VanDerWaalsContact C-N 3.3Å; I194-L196 PolarHBondContact O-N 2.84Å; I194-Y201 HydrophobicContact CD1-CD2 4.35Å; I194-Y201 HydrophobicContact CD1-CE2 4.22Å; I194-Y201 HydrophobicContact CG1-CD1 4.18Å; I194-Y201 HydrophobicContact CG1-CD2 4.13Å; I194-Y201 HydrophobicContact CG1-CE1 4.24Å; I194-Y201 HydrophobicContact CG1-CE2 4.18Å; I194-Y201 HydrophobicContact CG1-CG 4.1Å; I194-V205 HydrophobicContact CD1-CB 3.56Å; I194-V205 HydrophobicContact CD1-CG1 3.67Å; I194-V205 HydrophobicContact CD1-CG2 3.77Å; I194-V205 HydrophobicContact CG1-CB 4.21Å; I194-V205 HydrophobicContact CG1-CG1 3.78Å
195M73.1Confident79.9Confident26 Ų2636.8 Ų36.813%0.12818%0.183CC..Hα-helixtrans-66.5-32.9-175.4-69.5-172.357.200113.4R187 R190 A191 P192 H229 Q232R187-M195 HydrophobicContact CB-CE 4.03Å; R187-M195 HydrophobicContact CB-SD 4.39Å; R187-M195 HydrophobicContact CG-CE 4.09Å; R190-M195 HydrophobicContact CB-CG 3.76Å; R190-M195 HydrophobicContact CB-SD 4.16Å; A191-M195 PolarHBondContact O-N 2.83Å; P192-M195 PolarHBondContact O-N 3.15Å; M195-H229 HydrophobicContact CE-CB 4.37Å; M195-Q232 HydrophobicContact CE-CB 3.64Å; M195-Q232 HydrophobicContact CE-CG 3.55Å; M195-Q232 HydrophobicContact SD-CB 4.47Å; M195-Q232 HydrophobicContact SD-CG 3.73Å
196L69.2Low81.8Confident41 Ų4135.3 Ų35.322%0.21517%0.17CC..Hα-helixtrans-105.8-4.8-175-62.1172000113.1P192 I194 W198 L233P192-L196 PolarHBondContact O-N 2.94Å; P192-L196 VanDerWaalsContact O-N 3.11Å; I194-L196 VanDerWaalsContact C-N 3.3Å; I194-L196 PolarHBondContact O-N 2.84Å; L196-W198 HydrophobicContact CB-CB 3.87Å; L196-W198 HydrophobicContact CB-CD2 3.9Å; L196-W198 HydrophobicContact CB-CE3 3.95Å; L196-W198 HydrophobicContact CB-CG 3.89Å; L196-W198 HydrophobicContact CD1-CD2 3.84Å; L196-W198 HydrophobicContact CD1-CE3 3.23Å; L196-W198 HydrophobicContact CD1-CH2 3.75Å; L196-W198 HydrophobicContact CD1-CZ2 4.31Å; L196-W198 HydrophobicContact CD1-CZ3 3.16Å; L196-W198 HydrophobicContact CG-CE3 4.23Å; L196-W198 HydrophobicContact CG-CZ3 4.49Å; L196-W198 PolarHBondContact O-N 2.86Å; L196-W198 VanDerWaalsContact O-N 3.13Å; L196-L233 HydrophobicContact CD1-CD1 3.7Å; L196-L233 HydrophobicContact CD1-CD2 3.59Å; L196-L233 HydrophobicContact CD1-CG 4.19Å
197N70.6Confident83.3Confident99 Ų9932 Ų3253%0.52915%0.15SC..THydrogen-bonded Turntrans46.140.3-174.7-162.943.4000112.1E193E193-N197 WeakPolarHBondContact O-CA 3.43Å; E193-N197 PolarHBondContact O-N 3.41Å; E193-N197 VanDerWaalsContact O-N 3.08Å
198W70.3Confident84Confident0 Ų029.8 Ų29.80%014%0.141CC..  trans-100-6.6-160.674-6.3000113.6P192 E193 L196 L233 M237 I251 S252 S253 A256 I260P192-W198 HydrophobicContact CB-CH2 4.35Å; P192-W198 HydrophobicContact CB-CZ2 3.98Å; P192-W198 HydrophobicContact CG-CZ2 4.46Å; E193-W198 VanDerWaalsContact CA-CD1 3.43Å; E193-W198 VanDerWaalsContact CB-NE1 3.26Å; L196-W198 HydrophobicContact CB-CB 3.87Å; L196-W198 HydrophobicContact CB-CD2 3.9Å; L196-W198 HydrophobicContact CB-CE3 3.95Å; L196-W198 HydrophobicContact CB-CG 3.89Å; L196-W198 HydrophobicContact CD1-CD2 3.84Å; L196-W198 HydrophobicContact CD1-CE3 3.23Å; L196-W198 HydrophobicContact CD1-CH2 3.75Å; L196-W198 HydrophobicContact CD1-CZ2 4.31Å; L196-W198 HydrophobicContact CD1-CZ3 3.16Å; L196-W198 HydrophobicContact CG-CE3 4.23Å; L196-W198 HydrophobicContact CG-CZ3 4.49Å; L196-W198 PolarHBondContact O-N 2.86Å; L196-W198 VanDerWaalsContact O-N 3.13Å; W198-L233 HydrophobicContact CH2-CD1 4.11Å; W198-L233 HydrophobicContact CZ3-CD1 4.38Å; W198-M237 HydrophobicContact CH2-CE 4.4Å; W198-I251 HydrophobicContact CB-CG2 3.89Å; W198-I251 HydrophobicContact CD2-CD1 4.06Å; W198-I251 HydrophobicContact CD2-CG1 4.2Å; W198-I251 HydrophobicContact CD2-CG2 4.37Å; W198-I251 HydrophobicContact CE3-CD1 3.87Å; W198-I251 HydrophobicContact CE3-CG1 4.47Å; W198-I251 HydrophobicContact CE3-CG2 4.43Å; W198-I251 HydrophobicContact CG-CG1 4.41Å; W198-I251 HydrophobicContact CG-CG2 4.15Å; W198-I251 HydrophobicContact CH2-CD1 4.48Å; W198-I251 HydrophobicContact CZ3-CD1 4.12Å; W198-I251 CarbonylContact O-C 3.56Å; W198-I251 VanDerWaalsContact O-CA 3.29Å; W198-I251 WeakPolarHBondContact O-CA 3.22Å; W198-S252 PolarHBondContact O-N 3.49Å; W198-S252 PolarHBondContact O-OG 3.3Å; W198-S253 PolarHBondContact O-N 3.37Å; W198-A256 HydrophobicContact CB-CB 3.86Å; W198-A256 HydrophobicContact CE3-CB 4.08Å; W198-I260 HydrophobicContact CE3-CD1 3.54Å; W198-I260 HydrophobicContact CE3-CG1 4.46Å; W198-I260 HydrophobicContact CH2-CD1 4.07Å; W198-I260 HydrophobicContact CZ3-CD1 3.13Å; W198-I260 HydrophobicContact CZ3-CG1 3.83Å
199M65.6Low84.2Confident14 Ų1425.7 Ų25.77%0.06913%0.127CC..SBendtrans-160.3159.5174.265.5-169.1179.100109.5E193 Y201 L247 T294E193-M199 HydrophobicContact CB-CE 3.55Å; E193-M199 HydrophobicContact CB-CG 3.92Å; E193-M199 HydrophobicContact CG-CE 3.98Å; M199-Y201 PolarHBondContact O-N 2.98Å; M199-L247 HydrophobicContact SD-CD1 4.39Å; M199-T294 HydrophobicContact CE-CG2 3.46Å; M199-T294 VanDerWaalsContact CE-CG2 3.46Å
200H68.2Low84.5Confident172 Ų17225.1 Ų25.180%0.79612%0.124SC*.  trans-58.7135.5164.9-68.2-75.3000108.5
201Y72.4Confident84.9Confident21 Ų2124.1 Ų24.18%0.08212%0.12CC..  trans-119.2154.7-179.559.6-94.5000109.6I148 R150 M180 I194 M199 V205I148-Y201 HydrophobicContact CD1-CD2 4.39Å; I148-Y201 HydrophobicContact CD1-CE2 4.39Å; R150-Y201 PolarHBondContact NE-OH 3.34Å; R150-Y201 VanDerWaalsContact NE-OH 3.13Å; R150-Y201 PolarHBondContact NH2-OH 2.64Å; M180-Y201 HydrophobicContact CB-CE1 4.23Å; M180-Y201 WeakPolarHBondContact CB-OH 3.47Å; M180-Y201 HydrophobicContact CG-CE1 4.38Å; M180-Y201 WeakPolarHBondContact CG-OH 3.48Å; I194-Y201 HydrophobicContact CD1-CD2 4.35Å; I194-Y201 HydrophobicContact CD1-CE2 4.22Å; I194-Y201 HydrophobicContact CG1-CD1 4.18Å; I194-Y201 HydrophobicContact CG1-CD2 4.13Å; I194-Y201 HydrophobicContact CG1-CE1 4.24Å; I194-Y201 HydrophobicContact CG1-CE2 4.18Å; I194-Y201 HydrophobicContact CG1-CG 4.1Å; M199-Y201 PolarHBondContact O-N 2.98Å; Y201-V205 HydrophobicContact CD2-CG1 3.69Å; Y201-V205 HydrophobicContact CD2-CG2 4.34Å; Y201-V205 HydrophobicContact CG-CG1 3.92Å
202N81.7Confident85.2Confident55 Ų5524.1 Ų24.129%0.29412%0.12SC..  trans-119.9-168.9-179.262.622.8000109.8T204 V205N202-T204 PolarHBondContact O-N 3.04Å; N202-T204 VanDerWaalsContact OD1-CB 3.24Å; N202-T204 WeakPolarHBondContact OD1-CB 3.28Å; N202-T204 VanDerWaalsContact OD1-CG2 3.25Å; N202-T204 WeakPolarHBondContact OD1-CG2 3.25Å; N202-T204 PolarHBondContact OD1-N 2.98Å; N202-T204 PolarHBondContact OD1-OG1 3.09Å; N202-V205 WeakPolarHBondContact O-CG1 3.38Å; N202-V205 VanDerWaalsContact O-CG2 3.32Å; N202-V205 WeakPolarHBondContact O-CG2 3.45Å; N202-V205 PolarHBondContact O-N 2.93Å
203M89.1Confident85.5Confident36 Ų3624 Ų2418%0.17712%0.12CC..THydrogen-bonded Turntrans-53.5-24.2178.5-67.5164.8-177.500114.7H143 D146 I148 T176 V205 D206H143-M203 HydrophobicContact CB-CG 4.3Å; H143-M203 HydrophobicContact CB-SD 3.66Å; H143-M203 PolarHBondContact CE1-O 2.9Å; H143-M203 PolarHBondContact NE2-O 3.46Å; H143-M203 WeakPolarHBondContact O-CE 3.37Å; D146-M203 VanDerWaalsContact CA-CE 3.46Å; D146-M203 HydrophobicContact CB-CE 4.27Å; D146-M203 WeakPolarHBondContact OD1-CE 3.35Å; I148-M203 HydrophobicContact CG1-CG 3.97Å; T176-M203 HydrophobicContact CG2-CE 3.84Å; T176-M203 HydrophobicContact CG2-CG 4.03Å; M203-V205 PolarHBondContact O-N 3.31Å; M203-D206 PolarHBondContact O-N 3.46Å; M203-D206 VanDerWaalsContact O-N 3.09Å
204T92.6Very high86Confident10 Ų1024 Ų246%0.06112%0.12CC..Hα-helixtrans-65.5-11.5-178.4710000113.4N202 D206 I207 W208 R297N202-T204 PolarHBondContact O-N 3.04Å; N202-T204 VanDerWaalsContact OD1-CB 3.24Å; N202-T204 WeakPolarHBondContact OD1-CB 3.28Å; N202-T204 VanDerWaalsContact OD1-CG2 3.25Å; N202-T204 WeakPolarHBondContact OD1-CG2 3.25Å; N202-T204 PolarHBondContact OD1-N 2.98Å; N202-T204 PolarHBondContact OD1-OG1 3.09Å; T204-D206 PolarHBondContact O-N 3.04Å; T204-I207 WeakPolarHBondContact O-CB 3.21Å; T204-I207 PolarHBondContact O-N 3.17Å; T204-I207 VanDerWaalsContact O-N 3.11Å; T204-W208 PolarHBondContact O-N 3.34Å; T204-R297 VanDerWaalsContact C-NH1 3.29Å; T204-R297 HydrophobicContact CG2-CB 4.43Å; T204-R297 VanDerWaalsContact O-CD 3.27Å; T204-R297 WeakPolarHBondContact O-CD 3.28Å; T204-R297 PolarHBondContact O-NH1 3.01Å; T204-R297 PolarHBondContact OG1-NH1 3.46Å
205V93.5Very high86.9Confident1 Ų122.9 Ų22.91%0.00611%0.114CC..Hα-helixtrans-58.6-34.3170.7-63.70000112.4I148 A191 E193 I194 Y201 N202 M203 I207 W208 S209I148-V205 HydrophobicContact CG2-CG2 3.37Å; A191-V205 HydrophobicContact CB-CB 4.01Å; A191-V205 HydrophobicContact CB-CG1 4.07Å; E193-V205 HydrophobicContact CG-CG1 4.03Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.38Å; I194-V205 HydrophobicContact CD1-CB 3.56Å; I194-V205 HydrophobicContact CD1-CG1 3.67Å; I194-V205 HydrophobicContact CD1-CG2 3.77Å; I194-V205 HydrophobicContact CG1-CB 4.21Å; I194-V205 HydrophobicContact CG1-CG1 3.78Å; Y201-V205 HydrophobicContact CD2-CG1 3.69Å; Y201-V205 HydrophobicContact CD2-CG2 4.34Å; Y201-V205 HydrophobicContact CG-CG1 3.92Å; N202-V205 WeakPolarHBondContact O-CG1 3.38Å; N202-V205 VanDerWaalsContact O-CG2 3.32Å; N202-V205 WeakPolarHBondContact O-CG2 3.45Å; N202-V205 PolarHBondContact O-N 2.93Å; M203-V205 PolarHBondContact O-N 3.31Å; V205-I207 VanDerWaalsContact C-N 3.33Å; V205-W208 WeakPolarHBondContact O-CB 3.28Å; V205-W208 PolarHBondContact O-N 3.37Å; V205-S209 PolarHBondContact O-N 3.22Å; V205-S209 PolarHBondContact O-OG 3.38Å
206D95.9Very high87.9Confident0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-71.4-33.5177.5-67.8-29.9000110.4L139 H143 I148 H149 R150 L152 M203 T204 W208 S209 V210L139-D206 HydrophobicContact CD1-CB 3.83Å; L139-D206 HydrophobicContact CD2-CB 3.7Å; L139-D206 HydrophobicContact CG-CB 4.31Å; H143-D206 IonicContact CD2-OD2 3.37Å; H143-D206 IonicContact CE1-OD2 3.88Å; H143-D206 IonicContact NE2-OD2 3.09Å; H143-D206 PolarHBondContact NE2-OD2 2.98Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.47Å; H149-D206 PolarHBondContact N-OD2 2.79Å; R150-D206 PolarHBondContact N-OD1 2.97Å; L152-D206 HydrophobicContact CD1-CB 3.85Å; M203-D206 PolarHBondContact O-N 3.46Å; M203-D206 VanDerWaalsContact O-N 3.09Å; T204-D206 PolarHBondContact O-N 3.04Å; D206-W208 VanDerWaalsContact C-N 3.32Å; D206-W208 PolarHBondContact O-N 3.06Å; D206-S209 WeakPolarHBondContact O-CA 3.1Å; D206-S209 VanDerWaalsContact O-CB 3.28Å; D206-S209 WeakPolarHBondContact O-CB 3.17Å; D206-S209 PolarHBondContact O-N 3.08Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.1Å
207I98.4Very high89.1Confident1 Ų121.1 Ų21.11%0.00511%0.105CC..Hα-helixtrans-64.8-36.1175.5-57.8-65.9000111.7L136 L139 T204 V205 S209 V210 G211 M289 R297 I298 A300L136-I207 HydrophobicContact CD2-CD1 3.93Å; L139-I207 HydrophobicContact CD2-CD1 3.78Å; T204-I207 WeakPolarHBondContact O-CB 3.21Å; T204-I207 PolarHBondContact O-N 3.17Å; T204-I207 VanDerWaalsContact O-N 3.11Å; V205-I207 VanDerWaalsContact C-N 3.33Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.89Å; I207-V210 PolarHBondContact O-N 2.94Å; I207-G211 PolarHBondContact O-N 2.99Å; I207-M289 HydrophobicContact CG2-CB 3.98Å; I207-M289 HydrophobicContact CG2-CG 3.74Å; I207-R297 HydrophobicContact CB-CG 4.41Å; I207-R297 HydrophobicContact CG2-CG 4.07Å; I207-I298 WeakPolarHBondContact CG1-O 3.48Å; I207-I298 HydrophobicContact CG2-CG2 3.96Å; I207-I298 WeakPolarHBondContact CG2-O 3.25Å; I207-A300 HydrophobicContact CD1-CB 4.05Å
208W97.8Very high90.3Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-59.7-44.2171179.9-81.9000111.3R190 A191 P192 T204 V205 D206 V210 G211 C212 F224 I236 V240 L290 L292R190-W208 PolarHBondContact O-NE1 3.06Å; A191-W208 HydrophobicContact CB-CB 3.74Å; A191-W208 HydrophobicContact CB-CD2 4.48Å; A191-W208 HydrophobicContact CB-CG 3.8Å; P192-W208 HydrophobicContact CG-CH2 4.31Å; P192-W208 HydrophobicContact CG-CZ2 4.37Å; P192-W208 HydrophobicContact CG-CZ3 4.46Å; T204-W208 PolarHBondContact O-N 3.34Å; V205-W208 WeakPolarHBondContact O-CB 3.28Å; V205-W208 PolarHBondContact O-N 3.37Å; D206-W208 VanDerWaalsContact C-N 3.32Å; D206-W208 PolarHBondContact O-N 3.06Å; W208-V210 VanDerWaalsContact C-N 3.34Å; W208-V210 PolarHBondContact O-N 3.33Å; W208-G211 PolarHBondContact O-N 3.23Å; W208-C212 PolarHBondContact NE1-SG 3.12Å; W208-C212 VanDerWaalsContact NE1-SG 3.4Å; W208-C212 PolarHBondContact O-N 2.8Å; W208-C212 PolarHBondContact O-SG 2.79Å; W208-F224 HydrophobicContact CZ2-CD2 4.45Å; W208-F224 AromaticContact CZ2-CE2 3.66Å; W208-F224 HydrophobicContact CZ2-CE2 3.66Å; W208-F224 HydrophobicContact CZ2-CZ 4.13Å; W208-I236 HydrophobicContact CH2-CG2 3.58Å; W208-I236 HydrophobicContact CZ2-CB 4.47Å; W208-I236 HydrophobicContact CZ2-CD1 3.93Å; W208-I236 HydrophobicContact CZ2-CG1 3.96Å; W208-I236 HydrophobicContact CZ2-CG2 3.71Å; W208-V240 HydrophobicContact CH2-CG1 4.27Å; W208-V240 HydrophobicContact CH2-CG2 4.42Å; W208-L290 HydrophobicContact CD2-CD2 4.18Å; W208-L290 HydrophobicContact CE3-CD2 4.25Å; W208-L290 HydrophobicContact CH2-CD2 4.43Å; W208-L290 HydrophobicContact CZ2-CD2 4.37Å; W208-L290 HydrophobicContact CZ3-CB 4.44Å; W208-L290 HydrophobicContact CZ3-CD2 4.38Å; W208-L292 HydrophobicContact CH2-CD2 4.17Å; W208-L292 HydrophobicContact CZ3-CD2 4.3Å
209S97.3Very high91.4Very high4 Ų421.5 Ų21.53%0.02811%0.109CC..Hα-helixtrans-60.7-43.2175.9-560000111.6Y189 V205 D206 I207 G211 C212 I213Y189-S209 VanDerWaalsContact O-CA 3.28Å; Y189-S209 WeakPolarHBondContact O-CA 3.19Å; Y189-S209 WeakPolarHBondContact O-CB 3.5Å; Y189-S209 PolarHBondContact O-OG 3.23Å; V205-S209 PolarHBondContact O-N 3.22Å; V205-S209 PolarHBondContact O-OG 3.38Å; D206-S209 WeakPolarHBondContact O-CA 3.1Å; D206-S209 VanDerWaalsContact O-CB 3.28Å; D206-S209 WeakPolarHBondContact O-CB 3.17Å; D206-S209 PolarHBondContact O-N 3.08Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.89Å; S209-G211 PolarHBondContact O-N 3.37Å; S209-C212 WeakPolarHBondContact O-CB 3.37Å; S209-C212 PolarHBondContact O-N 3.36Å; S209-I213 WeakPolarHBondContact O-CD1 3.39Å; S209-I213 VanDerWaalsContact O-CG1 3.23Å; S209-I213 WeakPolarHBondContact O-CG1 3.37Å; S209-I213 PolarHBondContact O-N 3.4Å
210V98.6Very high92.6Very high0 Ų023.2 Ų23.20%013%0.13CC..Hα-helixtrans-59.1-44.7174179.40000111.2I132 I135 L136 L139 L152 D206 I207 W208 C212 I213 M214 M289I132-V210 HydrophobicContact CD1-CG1 4.39Å; I132-V210 HydrophobicContact CG2-CG1 3.96Å; I135-V210 HydrophobicContact CG2-CG2 3.68Å; L136-V210 HydrophobicContact CD2-CG1 4.15Å; L136-V210 HydrophobicContact CG-CG1 4.42Å; L139-V210 HydrophobicContact CD2-CG2 4.09Å; L152-V210 HydrophobicContact CD1-CG2 4.15Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.1Å; I207-V210 PolarHBondContact O-N 2.94Å; W208-V210 VanDerWaalsContact C-N 3.34Å; W208-V210 PolarHBondContact O-N 3.33Å; V210-C212 VanDerWaalsContact C-N 3.33Å; V210-C212 PolarHBondContact O-N 2.93Å; V210-I213 PolarHBondContact O-N 3.4Å; V210-M214 WeakPolarHBondContact O-CB 3.41Å; V210-M214 PolarHBondContact O-N 3.03Å; V210-M289 HydrophobicContact CB-SD 4.46Å; V210-M289 HydrophobicContact CG1-CE 3.87Å; V210-M289 HydrophobicContact CG1-SD 4Å
211G98.6Very high93.7Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-59.9-40.8175.800000113.1I207 W208 S209 A215 L286I207-G211 PolarHBondContact O-N 2.99Å; W208-G211 PolarHBondContact O-N 3.23Å; S209-G211 PolarHBondContact O-N 3.37Å; G211-A215 WeakPolarHBondContact O-CB 3.31Å; G211-A215 PolarHBondContact O-N 3.47Å; G211-L286 VanDerWaalsContact O-CD2 3.24Å; G211-L286 WeakPolarHBondContact O-CD2 3.49Å
212C98.2Very high94.7Very high1 Ų125 Ų251%0.00713%0.133CC..Hα-helixtrans-65-42.2175.2-64.50000112.1Y189 W208 S209 V210 E216Y189-C212 HydrophobicContact CD1-CB 3.8Å; W208-C212 PolarHBondContact NE1-SG 3.12Å; W208-C212 VanDerWaalsContact NE1-SG 3.4Å; W208-C212 PolarHBondContact O-N 2.8Å; W208-C212 PolarHBondContact O-SG 2.79Å; S209-C212 WeakPolarHBondContact O-CB 3.37Å; S209-C212 PolarHBondContact O-N 3.36Å; V210-C212 VanDerWaalsContact C-N 3.33Å; V210-C212 PolarHBondContact O-N 2.93Å; C212-E216 PolarHBondContact O-N 3.18Å; C212-E216 VanDerWaalsContact O-N 3.11Å
213I97.4Very high95.4Very high0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-65.7-49178.2-67.6161.7000109.9L114 I132 I135 P154 L157 Y189 S209 V210 A215 E216 L217L114-I213 HydrophobicContact CD2-CG2 3.89Å; I132-I213 HydrophobicContact CD1-CG2 4.39Å; I135-I213 HydrophobicContact CD1-CG2 4.48Å; P154-I213 HydrophobicContact CG-CG1 4.12Å; L157-I213 HydrophobicContact CD1-CD1 3.85Å; L157-I213 HydrophobicContact CD1-CG2 4.21Å; Y189-I213 HydrophobicContact CD1-CG1 3.76Å; Y189-I213 HydrophobicContact CE1-CG1 4.05Å; S209-I213 WeakPolarHBondContact O-CD1 3.39Å; S209-I213 VanDerWaalsContact O-CG1 3.23Å; S209-I213 WeakPolarHBondContact O-CG1 3.37Å; S209-I213 PolarHBondContact O-N 3.4Å; V210-I213 PolarHBondContact O-N 3.4Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.29Å; I213-E216 CarbonylContact O-C 3.51Å; I213-E216 WeakPolarHBondContact O-CA 3.42Å; I213-E216 WeakPolarHBondContact O-CB 3.4Å; I213-E216 PolarHBondContact O-N 3.06Å; I213-L217 HydrophobicContact CG2-CD1 4.18Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.46Å; I213-L217 PolarHBondContact O-N 2.69Å
214M98.1Very high95.8Very high0 Ų022.3 Ų22.30%012%0.12CC..Hα-helixtrans-57.1-45.8178.1-179.4174.4177.700112V128 I132 V210 E216 L217 L218 A282 L285 L286 M289 Y308V128-M214 HydrophobicContact CG1-CG 4.27Å; I132-M214 HydrophobicContact CD1-CB 3.7Å; I132-M214 HydrophobicContact CD1-CG 4.27Å; I132-M214 HydrophobicContact CG1-CB 3.96Å; I132-M214 HydrophobicContact CG1-CG 3.96Å; I132-M214 HydrophobicContact CG1-SD 4.35Å; I132-M214 HydrophobicContact CG2-SD 4.32Å; V210-M214 WeakPolarHBondContact O-CB 3.41Å; V210-M214 PolarHBondContact O-N 3.03Å; M214-E216 VanDerWaalsContact C-N 3.29Å; M214-E216 PolarHBondContact O-N 2.94Å; M214-L217 PolarHBondContact O-N 2.9Å; M214-L218 HydrophobicContact CE-CD1 4.21Å; M214-L218 HydrophobicContact CG-CD1 4.08Å; M214-L218 VanDerWaalsContact O-CG 3.32Å; M214-L218 WeakPolarHBondContact O-CG 3.27Å; M214-L218 PolarHBondContact O-N 2.86Å; M214-A282 HydrophobicContact CE-CB 3.58Å; M214-L285 HydrophobicContact CE-CB 4.42Å; M214-L285 HydrophobicContact CE-CD2 4.1Å; M214-L285 HydrophobicContact SD-CD2 3.99Å; M214-L285 HydrophobicContact SD-CG 4.38Å; M214-L286 HydrophobicContact CB-CD2 3.98Å; M214-L286 HydrophobicContact CE-CG 4.38Å; M214-L286 HydrophobicContact CG-CD2 3.96Å; M214-L286 HydrophobicContact CG-CG 4.35Å; M214-L286 HydrophobicContact SD-CD2 4.06Å; M214-L286 HydrophobicContact SD-CG 4.14Å; M214-M289 HydrophobicContact SD-SD 4.39Å; M214-Y308 HydrophobicContact CE-CD1 3.95Å; M214-Y308 HydrophobicContact CE-CE1 3.5Å
215A97.4Very high95.9Very high0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-60.9-38.1175.400000112.6G211 I213 T219 L223 F275 L286G211-A215 WeakPolarHBondContact O-CB 3.31Å; G211-A215 PolarHBondContact O-N 3.47Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.29Å; A215-T219 WeakPolarHBondContact O-CB 3.41Å; A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 3.17Å; A215-T219 VanDerWaalsContact O-N 3.1Å; A215-T219 PolarHBondContact O-OG1 3.03Å; A215-L223 HydrophobicContact CB-CB 4.14Å; A215-L223 HydrophobicContact CB-CD1 4.04Å; A215-L223 HydrophobicContact CB-CD2 3.71Å; A215-L223 HydrophobicContact CB-CG 4.17Å; A215-F275 HydrophobicContact CB-CE1 3.73Å; A215-F275 HydrophobicContact CB-CZ 3.97Å; A215-L286 HydrophobicContact CB-CD1 4.48Å; A215-L286 HydrophobicContact CB-CD2 4.11Å
216E95.6Very high95.7Very high19 Ų1925 Ų259%0.08914%0.138CC..Hα-helixtrans-69.5-38.1176177.3163-16800112.4V118 Y189 C212 I213 M214 T219 G220 R221 T222V118-E216 HydrophobicContact CG1-CG 4.18Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.43Å; Y189-E216 VanDerWaalsContact CZ-OE2 3.24Å; Y189-E216 PolarHBondContact OH-OE2 3.13Å; C212-E216 PolarHBondContact O-N 3.18Å; C212-E216 VanDerWaalsContact O-N 3.11Å; I213-E216 CarbonylContact O-C 3.51Å; I213-E216 WeakPolarHBondContact O-CA 3.42Å; I213-E216 WeakPolarHBondContact O-CB 3.4Å; I213-E216 PolarHBondContact O-N 3.06Å; M214-E216 VanDerWaalsContact C-N 3.29Å; M214-E216 PolarHBondContact O-N 2.94Å; E216-T219 PolarHBondContact O-N 3.25Å; E216-G220 WeakPolarHBondContact O-CA 3.36Å; E216-G220 PolarHBondContact O-N 3.46Å; E216-R221 WeakPolarHBondContact CA-O 3.45Å; E216-T222 PolarHBondContact OE1-OG1 3.36Å
217L94.6Very high95.4Very high10 Ų1030.2 Ų30.25%0.05217%0.17CC..Hα-helixtrans-64-40.5174.4-62.6175.5000112.1L114 V118 L123 V128 I132 I213 M214L114-L217 HydrophobicContact CD1-CD2 3.85Å; L114-L217 HydrophobicContact CD2-CD1 4.28Å; L114-L217 HydrophobicContact CD2-CD2 3.93Å; L114-L217 HydrophobicContact CG-CD2 3.96Å; V118-L217 HydrophobicContact CG2-CD2 3.28Å; L123-L217 HydrophobicContact CD1-CB 4.31Å; L123-L217 HydrophobicContact CD1-CD2 3.52Å; L123-L217 HydrophobicContact CD1-CG 4.39Å; V128-L217 HydrophobicContact CG1-CB 4.19Å; V128-L217 HydrophobicContact CG1-CD1 4.35Å; V128-L217 HydrophobicContact CG2-CB 3.84Å; I132-L217 HydrophobicContact CD1-CD1 3.78Å; I132-L217 HydrophobicContact CG1-CD1 4.26Å; I213-L217 HydrophobicContact CG2-CD1 4.18Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.46Å; I213-L217 PolarHBondContact O-N 2.69Å; M214-L217 PolarHBondContact O-N 2.9Å
218L94.6Very high94.7Very high45 Ų4533.6 Ų33.624%0.23619%0.187CC..Hα-helixtrans-69.8-33.9179.3-70.4167.1000112.9V128 M214 A282 L286V128-L218 HydrophobicContact CB-CD2 4.4Å; V128-L218 HydrophobicContact CG1-CD2 4.09Å; V128-L218 HydrophobicContact CG1-CG 4.18Å; V128-L218 HydrophobicContact CG2-CD2 4.22Å; M214-L218 HydrophobicContact CE-CD1 4.21Å; M214-L218 HydrophobicContact CG-CD1 4.08Å; M214-L218 VanDerWaalsContact O-CG 3.32Å; M214-L218 WeakPolarHBondContact O-CG 3.27Å; M214-L218 PolarHBondContact O-N 2.86Å; L218-A282 HydrophobicContact CD1-CB 4.26Å; L218-L286 HydrophobicContact CD1-CD1 3.8Å
219T92.9Very high94Very high63 Ų6337 Ų3739%0.38720%0.204SC..Hα-helixtrans-107.9-14.6-171.464.20000114.3A215 E216 R221 F275A215-T219 WeakPolarHBondContact O-CB 3.41Å; A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 3.17Å; A215-T219 VanDerWaalsContact O-N 3.1Å; A215-T219 PolarHBondContact O-OG1 3.03Å; E216-T219 PolarHBondContact O-N 3.25Å; T219-R221 PolarHBondContact O-N 3.24Å; T219-R221 PolarHBondContact OG1-N 2.97Å; T219-R221 PolarHBondContact OG1-O 2.94Å; T219-F275 HydrophobicContact CG2-CD1 3.8Å; T219-F275 HydrophobicContact CG2-CE1 4.16Å
220G91.1Very high93.4Very high49 Ų4940 Ų4051%0.50522%0.218SC..SBendtrans66.118-170.200000113.6E216E216-G220 WeakPolarHBondContact O-CA 3.36Å; E216-G220 PolarHBondContact O-N 3.46Å
221R91.3Very high93Very high195 Ų19542.2 Ų42.274%0.73623%0.23SC*.SBendtrans-136.3135-176.9-62.8-178.3-176.5-1781.4110.4E216 T219 L223E216-R221 WeakPolarHBondContact CA-O 3.45Å; T219-R221 PolarHBondContact O-N 3.24Å; T219-R221 PolarHBondContact OG1-N 2.97Å; T219-R221 PolarHBondContact OG1-O 2.94Å; R221-L223 PolarHBondContact O-N 3.08Å
222T94.2Very high92.7Very high35 Ų3542.2 Ų42.222%0.21523%0.23CC..  trans-53.3127.1170.7-52.20000110.3W188 E216 P225W188-T222 HydrophobicContact CB-CG2 3.86Å; W188-T222 HydrophobicContact CD2-CG2 3.91Å; W188-T222 HydrophobicContact CE3-CG2 3.65Å; W188-T222 HydrophobicContact CG-CG2 4.04Å; W188-T222 HydrophobicContact CZ3-CG2 4.4Å; E216-T222 PolarHBondContact OE1-OG1 3.36Å; T222-P225 HydrophobicContact CG2-CB 4.28Å
223L96.6Very high92.3Very high33 Ų3342.3 Ų42.317%0.17323%0.231CC..SBendtrans-66.1-43.6-173.3-177.660.9000112.8A215 R221 L239 F275 L290A215-L223 HydrophobicContact CB-CB 4.14Å; A215-L223 HydrophobicContact CB-CD1 4.04Å; A215-L223 HydrophobicContact CB-CD2 3.71Å; A215-L223 HydrophobicContact CB-CG 4.17Å; R221-L223 PolarHBondContact O-N 3.08Å; L223-L239 HydrophobicContact CD1-CD2 3.99Å; L223-L239 HydrophobicContact CD2-CD2 4.25Å; L223-L239 HydrophobicContact CG-CD2 4.42Å; L223-F275 HydrophobicContact CD1-CE1 4.26Å; L223-F275 HydrophobicContact CD1-CZ 4.07Å; L223-L290 HydrophobicContact CD2-CD1 3.62Å; L223-L290 HydrophobicContact CD2-CD2 4.3Å
224F96.6Very high92Very high3 Ų346.5 Ų46.51%0.01325%0.249CC..  trans-129.579.8-177.2-53-59.7000111.1W188 W208 G226 Q232 L235 I236 L239 L290W188-F224 WeakPolarHBondContact CB-O 3.19Å; W208-F224 HydrophobicContact CZ2-CD2 4.45Å; W208-F224 AromaticContact CZ2-CE2 3.66Å; W208-F224 HydrophobicContact CZ2-CE2 3.66Å; W208-F224 HydrophobicContact CZ2-CZ 4.13Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.43Å; F224-G226 VanDerWaalsContact O-N 3.07Å; F224-Q232 VanDerWaalsContact O-CD 3.27Å; F224-Q232 PolarHBondContact O-NE2 3.05Å; F224-Q232 PolarHBondContact O-OE1 3.41Å; F224-L235 HydrophobicContact CD1-CB 4.2Å; F224-I236 HydrophobicContact CD1-CG1 3.96Å; F224-I236 HydrophobicContact CD2-CG1 3.98Å; F224-I236 HydrophobicContact CE1-CB 4.43Å; F224-I236 HydrophobicContact CE1-CG1 4.08Å; F224-I236 HydrophobicContact CE2-CG1 4.09Å; F224-I236 HydrophobicContact CG-CG1 3.9Å; F224-I236 HydrophobicContact CZ-CG1 4.13Å; F224-L239 HydrophobicContact CE1-CB 4.13Å; F224-L239 HydrophobicContact CE1-CD2 3.82Å; F224-L239 HydrophobicContact CZ-CD2 3.79Å; F224-L290 HydrophobicContact CE2-CD2 4.36Å
225P94.3Very high91.9Very high66 Ų6648.9 Ų48.943%0.42926%0.261SS..  trans-85.955-177.635.7-37.1000112.4T222T222-P225 HydrophobicContact CG2-CB 4.28Å
226G90.9Very high91.9Very high2 Ų248.9 Ų48.92%0.02126%0.261CS..  trans-69.8137.4-174.900000113.7R187 W188 F224 D231R187-G226 PolarHBondContact NH1-O 3.06Å; R187-G226 VanDerWaalsContact NH1-O 3.13Å; W188-G226 PolarHBondContact NE1-O 2.83Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.43Å; F224-G226 VanDerWaalsContact O-N 3.07Å; G226-D231 VanDerWaalsContact CA-OD2 3.3Å; G226-D231 WeakPolarHBondContact CA-OD2 3.17Å
227T87.9Confident91.8Very high109 Ų10948 Ų4867%0.66926%0.257SS*.SBendtrans-71.8-31.3-178.656.40000112.6R187 D231R187-T227 PolarHBondContact NH1-O 2.94Å; T227-D231 PolarHBondContact N-OD2 2.64Å; T227-D231 PolarHBondContact OG1-OD2 3.02Å
228D84.6Confident91.9Very high71 Ų7152.7 Ų52.738%0.3828%0.28SS..SBendtrans-145.2-177.5175.961.356.2000111.1I230 D231 Q232D228-I230 VanDerWaalsContact C-N 3.28Å; D228-I230 PolarHBondContact O-N 3.44Å; D228-I230 WeakPolarHBondContact OD1-CA 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.39Å; D228-I230 PolarHBondContact OD1-N 3.28Å; D228-D231 PolarHBondContact OD1-N 2.9Å; D228-Q232 VanDerWaalsContact O-CB 3.3Å; D228-Q232 WeakPolarHBondContact O-CB 3.4Å; D228-Q232 PolarHBondContact O-N 2.88Å
229H82.8Confident92.1Very high73 Ų7351 Ų5134%0.33827%0.272SS..Hα-helixtrans-63.6-33.1-178-60.398.9000113.1M195 L233M195-H229 HydrophobicContact CE-CB 4.37Å; H229-L233 PolarHBondContact O-N 3.24Å; H229-L233 VanDerWaalsContact O-N 3.17Å
230I85.9Confident92.3Very high65 Ų6548.9 Ų48.933%0.33326%0.258SS..Hα-helixtrans-76.7-46.6-177.8-64.8-58.8000110.1D228 Q232 L233 K234 Y259D228-I230 VanDerWaalsContact C-N 3.28Å; D228-I230 PolarHBondContact O-N 3.44Å; D228-I230 WeakPolarHBondContact OD1-CA 3.36Å; D228-I230 WeakPolarHBondContact OD1-CB 3.39Å; D228-I230 PolarHBondContact OD1-N 3.28Å; I230-Q232 VanDerWaalsContact C-N 3.34Å; I230-L233 PolarHBondContact O-N 2.99Å; I230-K234 HydrophobicContact CG2-CD 4.46Å; I230-K234 WeakPolarHBondContact O-CG 3.45Å; I230-K234 PolarHBondContact O-N 3.37Å; I230-Y259 HydrophobicContact CD1-CD1 4.47Å; I230-Y259 HydrophobicContact CD1-CE1 3.87Å; I230-Y259 HydrophobicContact CD1-CE2 4.26Å; I230-Y259 WeakPolarHBondContact CG2-OH 3.45Å
231D89.4Confident92.5Very high47 Ų4746.7 Ų46.725%0.25124%0.236SC..Hα-helixtrans-61.3-43.8175.7-172.853000111.4G226 T227 D228 L233 K234 L235G226-D231 VanDerWaalsContact CA-OD2 3.3Å; G226-D231 WeakPolarHBondContact CA-OD2 3.17Å; T227-D231 PolarHBondContact N-OD2 2.64Å; T227-D231 PolarHBondContact OG1-OD2 3.02Å; D228-D231 PolarHBondContact OD1-N 2.9Å; D231-L233 PolarHBondContact O-N 3.16Å; D231-K234 WeakPolarHBondContact O-CB 3.44Å; D231-K234 PolarHBondContact O-N 2.7Å; D231-L235 WeakPolarHBondContact O-CG 3.4Å; D231-L235 PolarHBondContact O-N 3.23Å
232Q91.5Very high92.6Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-55.2-49.4173.6-170.186.110.300111.9R187 W188 M195 F224 D228 I230 K234 L235 I236R187-Q232 HydrophobicContact CG-CG 4.49Å; W188-Q232 PolarHBondContact O-NE2 3.28Å; M195-Q232 HydrophobicContact CE-CB 3.64Å; M195-Q232 HydrophobicContact CE-CG 3.55Å; M195-Q232 HydrophobicContact SD-CB 4.47Å; M195-Q232 HydrophobicContact SD-CG 3.73Å; F224-Q232 VanDerWaalsContact O-CD 3.27Å; F224-Q232 PolarHBondContact O-NE2 3.05Å; F224-Q232 PolarHBondContact O-OE1 3.41Å; D228-Q232 VanDerWaalsContact O-CB 3.3Å; D228-Q232 WeakPolarHBondContact O-CB 3.4Å; D228-Q232 PolarHBondContact O-N 2.88Å; I230-Q232 VanDerWaalsContact C-N 3.34Å; Q232-K234 VanDerWaalsContact C-N 3.28Å; Q232-K234 PolarHBondContact O-N 3.43Å; Q232-L235 PolarHBondContact O-N 2.91Å; Q232-I236 HydrophobicContact CG-CD1 4.07Å; Q232-I236 WeakPolarHBondContact O-CG1 3.42Å; Q232-I236 PolarHBondContact O-N 3.47Å
233L90.8Very high92.6Very high4 Ų437.5 Ų37.52%0.02120%0.202CC..Hα-helixtrans-61.8-38.9-178.5-173.364.2000111.6P192 L196 W198 H229 I230 D231 I236 M237 Y259P192-L233 HydrophobicContact CB-CD1 4.19Å; L196-L233 HydrophobicContact CD1-CD1 3.7Å; L196-L233 HydrophobicContact CD1-CD2 3.59Å; L196-L233 HydrophobicContact CD1-CG 4.19Å; W198-L233 HydrophobicContact CH2-CD1 4.11Å; W198-L233 HydrophobicContact CZ3-CD1 4.38Å; H229-L233 PolarHBondContact O-N 3.24Å; H229-L233 VanDerWaalsContact O-N 3.17Å; I230-L233 PolarHBondContact O-N 2.99Å; D231-L233 PolarHBondContact O-N 3.16Å; L233-I236 PolarHBondContact O-N 3.39Å; L233-M237 HydrophobicContact CD1-CE 3.84Å; L233-M237 HydrophobicContact CD2-CE 3.96Å; L233-M237 HydrophobicContact CG-CE 3.85Å; L233-M237 HydrophobicContact CG-SD 4.39Å; L233-M237 WeakPolarHBondContact O-CG 3.43Å; L233-M237 PolarHBondContact O-N 3.49Å; L233-Y259 HydrophobicContact CD2-CD1 4.14Å; L233-Y259 HydrophobicContact CD2-CE1 3.89Å
234K91.6Very high92.3Very high87 Ų8737.8 Ų37.838%0.37821%0.212SC..Hα-helixtrans-62.2-47.8175-71.4172.3-179.3175.70111.4I230 D231 Q232 I236 M237 M238I230-K234 HydrophobicContact CG2-CD 4.46Å; I230-K234 WeakPolarHBondContact O-CG 3.45Å; I230-K234 PolarHBondContact O-N 3.37Å; D231-K234 WeakPolarHBondContact O-CB 3.44Å; D231-K234 PolarHBondContact O-N 2.7Å; Q232-K234 VanDerWaalsContact C-N 3.28Å; Q232-K234 PolarHBondContact O-N 3.43Å; K234-I236 VanDerWaalsContact C-N 3.26Å; K234-I236 PolarHBondContact O-N 3.19Å; K234-M237 PolarHBondContact O-N 3.1Å; K234-M238 WeakPolarHBondContact O-CB 3.49Å; K234-M238 VanDerWaalsContact O-CG 3.23Å; K234-M238 WeakPolarHBondContact O-CG 3.41Å; K234-M238 PolarHBondContact O-N 3.27Å
235L95.6Very high92Very high51 Ų5142.5 Ų42.527%0.26724%0.243SC..Hα-helixtrans-58.3-40.6177.2-68.5172.7000111.9F224 D231 Q232F224-L235 HydrophobicContact CD1-CB 4.2Å; D231-L235 WeakPolarHBondContact O-CG 3.4Å; D231-L235 PolarHBondContact O-N 3.23Å; Q232-L235 PolarHBondContact O-N 2.91Å
236I96.4Very high91.8Very high0 Ų044.7 Ų44.70%025%0.248CC..Hα-helixtrans-59.8-58.4174.2-68.9170.8000110P192 W208 F224 Q232 L233 K234 M238 L239 V240 L292P192-I236 HydrophobicContact CB-CD1 4.24Å; W208-I236 HydrophobicContact CH2-CG2 3.58Å; W208-I236 HydrophobicContact CZ2-CB 4.47Å; W208-I236 HydrophobicContact CZ2-CD1 3.93Å; W208-I236 HydrophobicContact CZ2-CG1 3.96Å; W208-I236 HydrophobicContact CZ2-CG2 3.71Å; F224-I236 HydrophobicContact CD1-CG1 3.96Å; F224-I236 HydrophobicContact CD2-CG1 3.98Å; F224-I236 HydrophobicContact CE1-CB 4.43Å; F224-I236 HydrophobicContact CE1-CG1 4.08Å; F224-I236 HydrophobicContact CE2-CG1 4.09Å; F224-I236 HydrophobicContact CG-CG1 3.9Å; F224-I236 HydrophobicContact CZ-CG1 4.13Å; Q232-I236 HydrophobicContact CG-CD1 4.07Å; Q232-I236 WeakPolarHBondContact O-CG1 3.42Å; Q232-I236 PolarHBondContact O-N 3.47Å; L233-I236 PolarHBondContact O-N 3.39Å; K234-I236 VanDerWaalsContact C-N 3.26Å; K234-I236 PolarHBondContact O-N 3.19Å; I236-M238 PolarHBondContact O-N 2.91Å; I236-L239 PolarHBondContact O-N 2.88Å; I236-V240 HydrophobicContact CG2-CG2 3.74Å; I236-V240 WeakPolarHBondContact O-CG2 3.41Å; I236-V240 PolarHBondContact O-N 2.87Å; I236-L292 HydrophobicContact CG2-CD2 3.89Å
237M95.1Very high91.8Very high0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-63.1-28-176.7-69.1-174.7179.200113.5W198 L233 K234 L239 G241 T242 P243 I260 L263 M266W198-M237 HydrophobicContact CH2-CE 4.4Å; L233-M237 HydrophobicContact CD1-CE 3.84Å; L233-M237 HydrophobicContact CD2-CE 3.96Å; L233-M237 HydrophobicContact CG-CE 3.85Å; L233-M237 HydrophobicContact CG-SD 4.39Å; L233-M237 WeakPolarHBondContact O-CG 3.43Å; L233-M237 PolarHBondContact O-N 3.49Å; K234-M237 PolarHBondContact O-N 3.1Å; M237-L239 PolarHBondContact O-N 3.31Å; M237-G241 CarbonylContact O-C 3.53Å; M237-G241 WeakPolarHBondContact O-CA 3.43Å; M237-G241 PolarHBondContact O-N 2.95Å; M237-T242 HydrophobicContact SD-CG2 4.01Å; M237-P243 HydrophobicContact CE-CG 3.92Å; M237-I260 HydrophobicContact CE-CG1 4.03Å; M237-I260 HydrophobicContact CE-CG2 4.04Å; M237-L263 HydrophobicContact SD-CD1 3.75Å; M237-M266 HydrophobicContact CB-CE 4.31Å; M237-M266 HydrophobicContact CB-SD 4.1Å
238M95.9Very high91.9Very high109 Ų10941.1 Ų41.154%0.53722%0.224SC..Hα-helixtrans-63.8-25.1172.7-77.4176.665.400113.1K234 I236 M266 R269K234-M238 WeakPolarHBondContact O-CB 3.49Å; K234-M238 VanDerWaalsContact O-CG 3.23Å; K234-M238 WeakPolarHBondContact O-CG 3.41Å; K234-M238 PolarHBondContact O-N 3.27Å; I236-M238 PolarHBondContact O-N 2.91Å; M238-M266 HydrophobicContact CG-SD 3.87Å; M238-R269 WeakPolarHBondContact O-CD 3.28Å; M238-R269 WeakPolarHBondContact O-CG 3.12Å
239L97.6Very high92Very high10 Ų1045 Ų455%0.05224%0.242CC..Hα-helixtrans-93.9-55.9175.9-179.462.2000111.5L223 F224 I236 M237 R269 F271 V274 L290L223-L239 HydrophobicContact CD1-CD2 3.99Å; L223-L239 HydrophobicContact CD2-CD2 4.25Å; L223-L239 HydrophobicContact CG-CD2 4.42Å; F224-L239 HydrophobicContact CE1-CB 4.13Å; F224-L239 HydrophobicContact CE1-CD2 3.82Å; F224-L239 HydrophobicContact CZ-CD2 3.79Å; I236-L239 PolarHBondContact O-N 2.88Å; M237-L239 PolarHBondContact O-N 3.31Å; L239-R269 HydrophobicContact CD1-CB 4.41Å; L239-R269 PolarHBondContact O-N 3.05Å; L239-F271 HydrophobicContact CD1-CD1 4.15Å; L239-F271 HydrophobicContact CD1-CE1 3.82Å; L239-F271 HydrophobicContact CD1-CZ 4.4Å; L239-F271 HydrophobicContact CD2-CE1 4.44Å; L239-F271 HydrophobicContact CD2-CZ 4.23Å; L239-F271 HydrophobicContact CG-CE1 3.82Å; L239-F271 HydrophobicContact CG-CZ 4.05Å; L239-V274 HydrophobicContact CD1-CB 4.3Å; L239-V274 HydrophobicContact CD1-CG1 3.97Å; L239-V274 HydrophobicContact CD1-CG2 3.75Å; L239-L290 HydrophobicContact CD2-CD1 4.37Å
240V97.2Very high92.3Very high17 Ų1744.9 Ų44.910%0.10324%0.24CC..Hα-helixtrans-92.3-5.4-168.8-53.60000113.8W208 I236 F271 L290 L292W208-V240 HydrophobicContact CH2-CG1 4.27Å; W208-V240 HydrophobicContact CH2-CG2 4.42Å; I236-V240 HydrophobicContact CG2-CG2 3.74Å; I236-V240 WeakPolarHBondContact O-CG2 3.41Å; I236-V240 PolarHBondContact O-N 2.87Å; V240-F271 HydrophobicContact CG1-CZ 4.22Å; V240-L290 HydrophobicContact CG1-CB 4.21Å; V240-L290 VanDerWaalsContact CG1-O 3.29Å; V240-L290 WeakPolarHBondContact CG1-O 3.5Å; V240-L292 HydrophobicContact CB-CG 4.43Å; V240-L292 HydrophobicContact CG2-CD1 3.77Å; V240-L292 HydrophobicContact CG2-CD2 3.61Å; V240-L292 HydrophobicContact CG2-CG 3.46Å; V240-L292 VanDerWaalsContact CG2-CG 3.46Å
241G96.3Very high92.3Very high4 Ų441.8 Ų41.84%0.04122%0.224CC..  trans87.3167.4-177.600000113.8M237 M266 L292M237-G241 CarbonylContact O-C 3.53Å; M237-G241 WeakPolarHBondContact O-CA 3.43Å; M237-G241 PolarHBondContact O-N 2.95Å; G241-M266 CarbonylContact C-O 3.55Å; G241-M266 WeakPolarHBondContact CA-O 3.49Å; G241-L292 WeakPolarHBondContact O-CD1 3.29Å
242T94Very high92Very high25 Ų2543.4 Ų43.415%0.15324%0.239CC..PPolyproline II helixtrans-74.6145172.542.60000111.4M237 G244 H265 M266M237-T242 HydrophobicContact SD-CG2 4.01Å; T242-G244 PolarHBondContact O-N 3.05Å; T242-H265 PolarHBondContact OG1-CD2 3.41Å; T242-H265 VanDerWaalsContact OG1-CD2 3.31Å; T242-M266 HydrophobicContact CG2-CB 4.1Å; T242-M266 HydrophobicContact CG2-CE 4.31Å; T242-M266 HydrophobicContact CG2-CG 4.25Å; T242-M266 PolarHBondContact N-O 3.37Å; T242-M266 PolarHBondContact OG1-N 3.35Å; T242-M266 VanDerWaalsContact OG1-N 3.14Å; T242-M266 PolarHBondContact OG1-O 3.43Å
243P92.8Very high91.6Very high12 Ų1244.7 Ų44.78%0.07825%0.248CC..PPolyproline II helixtrans-52.2132.4175.7-28.434.9000113.2M237 L247 L248 I260 L292M237-P243 HydrophobicContact CE-CG 3.92Å; P243-L247 HydrophobicContact CB-CB 4.3Å; P243-L247 HydrophobicContact CB-CD2 3.96Å; P243-L247 HydrophobicContact CB-CG 4.22Å; P243-L247 HydrophobicContact CG-CD2 4.37Å; P243-L248 HydrophobicContact CB-CD2 3.91Å; P243-L248 HydrophobicContact CB-CG 4.04Å; P243-I260 HydrophobicContact CB-CG2 4.49Å; P243-I260 HydrophobicContact CG-CD1 4.48Å; P243-I260 HydrophobicContact CG-CG2 3.94Å; P243-L292 HydrophobicContact CG-CD1 4.04Å
244G91.2Very high91.3Very high38 Ų3849.5 Ų49.539%0.39227%0.274SS..PPolyproline II helixtrans-74.2170.9171.200000112.8T242 E246 L247 L248T242-G244 PolarHBondContact O-N 3.05Å; G244-E246 VanDerWaalsContact C-N 3.29Å; G244-E246 PolarHBondContact O-N 3.4Å; G244-L247 PolarHBondContact O-N 3.07Å; G244-L247 VanDerWaalsContact O-N 3.16Å; G244-L248 WeakPolarHBondContact O-CG 3.45Å; G244-L248 PolarHBondContact O-N 3.17Å
245P90Very high90.9Very high102 Ų10249.6 Ų49.666%0.66229%0.286SS*.Hα-helixtrans-55.6-38.7-177.3-26.634.9000114.4L248 M249P245-L248 PolarHBondContact O-N 3.43Å; P245-M249 WeakPolarHBondContact O-CG 3.28Å; P245-M249 PolarHBondContact O-N 3.2Å
246E91Very high90.3Very high112 Ų11247.8 Ų47.852%0.52328%0.278SS..Hα-helixtrans-61.2-47.8178.3-172.6-169.3173.400111.7G244 M249 K296G244-E246 VanDerWaalsContact C-N 3.29Å; G244-E246 PolarHBondContact O-N 3.4Å; E246-M249 PolarHBondContact O-N 3.46Å; E246-K296 IonicContact OE1-NZ 3.11Å; E246-K296 PolarHBondContact OE1-NZ 3.34Å; E246-K296 IonicContact OE2-NZ 3.28Å; E246-K296 PolarHBondContact OE2-NZ 3.11Å
247L89.8Confident89.9Confident11 Ų1151.2 Ų51.26%0.05829%0.291CS..Hα-helixtrans-68.7-37.9179.5-177.657.5000111.5M199 P243 G244 M249 K250 I251 L292 D293M199-L247 HydrophobicContact SD-CD1 4.39Å; P243-L247 HydrophobicContact CB-CB 4.3Å; P243-L247 HydrophobicContact CB-CD2 3.96Å; P243-L247 HydrophobicContact CB-CG 4.22Å; P243-L247 HydrophobicContact CG-CD2 4.37Å; G244-L247 PolarHBondContact O-N 3.07Å; G244-L247 VanDerWaalsContact O-N 3.16Å; L247-M249 PolarHBondContact O-N 3.44Å; L247-K250 HydrophobicContact CD1-CD 4.35Å; L247-K250 WeakPolarHBondContact O-CB 3.32Å; L247-K250 PolarHBondContact O-N 2.65Å; L247-I251 PolarHBondContact O-N 3.03Å; L247-L292 HydrophobicContact CD2-CB 3.54Å; L247-D293 HydrophobicContact CD1-CB 4.11Å; L247-D293 HydrophobicContact CD2-CB 4.31Å
248L89.6Confident89.6Confident26 Ų2656.4 Ų56.414%0.13632%0.319CS..Hα-helixtrans-59.7-30.2176.2-70.6171.4000113P243 G244 P245 I251 R257 I260P243-L248 HydrophobicContact CB-CD2 3.91Å; P243-L248 HydrophobicContact CB-CG 4.04Å; G244-L248 WeakPolarHBondContact O-CG 3.45Å; G244-L248 PolarHBondContact O-N 3.17Å; P245-L248 PolarHBondContact O-N 3.43Å; L248-I251 HydrophobicContact CD2-CD1 4.13Å; L248-R257 HydrophobicContact CD2-CG 4.44Å; L248-R257 PolarHBondContact O-NE 3.06Å; L248-I260 HydrophobicContact CD2-CB 4.23Å; L248-I260 HydrophobicContact CD2-CD1 4.18Å; L248-I260 HydrophobicContact CD2-CG2 3.78Å
249M88.2Confident89.1Confident153 Ų15354.3 Ų54.375%0.75431%0.305SS*.Hα-helixtrans-70.8-31174.8-70-178.6179.500112.7P245 E246 L247 I251P245-M249 WeakPolarHBondContact O-CG 3.28Å; P245-M249 PolarHBondContact O-N 3.2Å; E246-M249 PolarHBondContact O-N 3.46Å; L247-M249 PolarHBondContact O-N 3.44Å; M249-I251 VanDerWaalsContact C-N 3.33Å
250K87.8Confident88.7Confident69 Ų6954.2 Ų54.230%0.331%0.305SS..Hα-helixtrans-75.3-22.3177.9-59.2-176.9-173.1-178.70113.1L247 S252 D293 D295L247-K250 HydrophobicContact CD1-CD 4.35Å; L247-K250 WeakPolarHBondContact O-CB 3.32Å; L247-K250 PolarHBondContact O-N 2.65Å; K250-S252 PolarHBondContact O-N 2.79Å; K250-S252 VanDerWaalsContact O-N 3.14Å; K250-D293 IonicContact NZ-OD1 2.74Å; K250-D293 PolarHBondContact NZ-OD1 2.8Å; K250-D293 IonicContact NZ-OD2 2.81Å; K250-D293 PolarHBondContact NZ-OD2 2.84Å; K250-D295 IonicContact NZ-OD2 3.42Å; K250-D295 PolarHBondContact NZ-OD2 3.37Å
251I85.7Confident88.3Confident0 Ų058 Ų580%032%0.324CS..  trans-69.1108.3177.1-64.2176.2000108.9W198 L247 L248 M249 S253 A256 R257 I260W198-I251 HydrophobicContact CB-CG2 3.89Å; W198-I251 HydrophobicContact CD2-CD1 4.06Å; W198-I251 HydrophobicContact CD2-CG1 4.2Å; W198-I251 HydrophobicContact CD2-CG2 4.37Å; W198-I251 HydrophobicContact CE3-CD1 3.87Å; W198-I251 HydrophobicContact CE3-CG1 4.47Å; W198-I251 HydrophobicContact CE3-CG2 4.43Å; W198-I251 HydrophobicContact CG-CG1 4.41Å; W198-I251 HydrophobicContact CG-CG2 4.15Å; W198-I251 HydrophobicContact CH2-CD1 4.48Å; W198-I251 HydrophobicContact CZ3-CD1 4.12Å; W198-I251 CarbonylContact O-C 3.56Å; W198-I251 VanDerWaalsContact O-CA 3.29Å; W198-I251 WeakPolarHBondContact O-CA 3.22Å; L247-I251 PolarHBondContact O-N 3.03Å; L248-I251 HydrophobicContact CD2-CD1 4.13Å; M249-I251 VanDerWaalsContact C-N 3.33Å; I251-S253 VanDerWaalsContact C-N 3.35Å; I251-A256 HydrophobicContact CG2-CB 4.23Å; I251-R257 HydrophobicContact CG2-CB 4.32Å; I251-R257 PolarHBondContact O-NH2 3.45Å; I251-I260 HydrophobicContact CD1-CD1 3.36Å
252S83.5Confident88Confident81 Ų8161.9 Ų61.957%0.56635%0.351SS*.  trans-74.8-23-17958.70000113.4W198 K250 D254W198-S252 PolarHBondContact O-N 3.49Å; W198-S252 PolarHBondContact O-OG 3.3Å; K250-S252 PolarHBondContact O-N 2.79Å; K250-S252 VanDerWaalsContact O-N 3.14Å; S252-D254 PolarHBondContact O-N 3.3Å
253S83.1Confident87.8Confident28 Ų2862 Ų6220%0.19635%0.35CS..  trans-82.9110.5179.9176.60000112.4W198 I251 S255 A256 R257W198-S253 PolarHBondContact O-N 3.37Å; I251-S253 VanDerWaalsContact C-N 3.35Å; S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 2.66Å; S253-S255 PolarHBondContact OG-OG 3.03Å; S253-S255 VanDerWaalsContact OG-OG 3.08Å; S253-A256 PolarHBondContact O-N 3.46Å; S253-A256 PolarHBondContact OG-N 2.83Å; S253-R257 PolarHBondContact O-N 3.33Å
254D85Confident87.7Confident105 Ų10565.9 Ų65.956%0.56138%0.376SS*.Hα-helixtrans-60.5-38.2177.2-74.3-37.4000112.8S252 A256 R257 N258S252-D254 PolarHBondContact O-N 3.3Å; D254-A256 VanDerWaalsContact C-N 3.35Å; D254-R257 PolarHBondContact O-N 3.18Å; D254-R257 IonicContact OD1-NH1 2.79Å; D254-N258 WeakPolarHBondContact O-CB 3.45Å; D254-N258 PolarHBondContact O-N 2.95Å; D254-N258 PolarHBondContact O-ND2 3.32Å
255S83.9Confident87.9Confident89 Ų8971.1 Ų71.162%0.62239%0.39SS*.Hα-helixtrans-64.6-42.1178.361.60000111.2S253 Y259S253-S255 VanDerWaalsContact C-N 3.3Å; S253-S255 PolarHBondContact O-N 2.66Å; S253-S255 PolarHBondContact OG-OG 3.03Å; S253-S255 VanDerWaalsContact OG-OG 3.08Å; S255-Y259 WeakPolarHBondContact O-CB 3.27Å; S255-Y259 PolarHBondContact O-N 3.3Å
256A82.9Confident88.1Confident12 Ų1267.9 Ų67.910%0.09937%0.366CS..Hα-helixtrans-67.1-44.9176.800000111.2W198 I251 S253 D254 N258 Y259 I260W198-A256 HydrophobicContact CB-CB 3.86Å; W198-A256 HydrophobicContact CE3-CB 4.08Å; I251-A256 HydrophobicContact CG2-CB 4.23Å; S253-A256 PolarHBondContact O-N 3.46Å; S253-A256 PolarHBondContact OG-N 2.83Å; D254-A256 VanDerWaalsContact C-N 3.35Å; A256-N258 PolarHBondContact O-N 2.74Å; A256-Y259 WeakPolarHBondContact O-CB 3.24Å; A256-Y259 PolarHBondContact O-N 3.24Å; A256-I260 WeakPolarHBondContact O-CD1 3.02Å; A256-I260 WeakPolarHBondContact O-CG1 3.49Å; A256-I260 PolarHBondContact O-N 2.6Å
257R87.6Confident88.4Confident73 Ų7367 Ų6728%0.27537%0.37SS..Hα-helixtrans-59.4-45.4177.1-166.8-172-66.7153.4-4.1111.9L248 I251 S253 D254 I260 N261L248-R257 HydrophobicContact CD2-CG 4.44Å; L248-R257 PolarHBondContact O-NE 3.06Å; I251-R257 HydrophobicContact CG2-CB 4.32Å; I251-R257 PolarHBondContact O-NH2 3.45Å; S253-R257 PolarHBondContact O-N 3.33Å; D254-R257 PolarHBondContact O-N 3.18Å; D254-R257 IonicContact OD1-NH1 2.79Å; R257-I260 PolarHBondContact O-N 3.13Å; R257-N261 WeakPolarHBondContact O-CB 3.32Å; R257-N261 PolarHBondContact O-N 2.91Å; R257-N261 PolarHBondContact O-ND2 3.29Å
258N88.2Confident88.7Confident109 Ų10971.4 Ų71.458%0.58339%0.389SS*.Hα-helixtrans-63.5-40.8176.9-73-25.3000112.1D254 A256 N261 S262D254-N258 WeakPolarHBondContact O-CB 3.45Å; D254-N258 PolarHBondContact O-N 2.95Å; D254-N258 PolarHBondContact O-ND2 3.32Å; A256-N258 PolarHBondContact O-N 2.74Å; N258-N261 PolarHBondContact O-N 3.1Å; N258-S262 PolarHBondContact O-N 2.8Å; N258-S262 VanDerWaalsContact O-N 3.13Å
259Y86.4Confident89.1Confident65 Ų6576.2 Ų76.226%0.25541%0.405SS..Hα-helixtrans-61.3-48.8175.7179.4-106.5000111.8I230 L233 S255 A256 N261 S262 L263I230-Y259 HydrophobicContact CD1-CD1 4.47Å; I230-Y259 HydrophobicContact CD1-CE1 3.87Å; I230-Y259 HydrophobicContact CD1-CE2 4.26Å; I230-Y259 WeakPolarHBondContact CG2-OH 3.45Å; L233-Y259 HydrophobicContact CD2-CD1 4.14Å; L233-Y259 HydrophobicContact CD2-CE1 3.89Å; S255-Y259 WeakPolarHBondContact O-CB 3.27Å; S255-Y259 PolarHBondContact O-N 3.3Å; A256-Y259 WeakPolarHBondContact O-CB 3.24Å; A256-Y259 PolarHBondContact O-N 3.24Å; Y259-N261 VanDerWaalsContact C-N 3.34Å; Y259-N261 PolarHBondContact O-N 3.34Å; Y259-S262 WeakPolarHBondContact O-CB 3.41Å; Y259-S262 PolarHBondContact O-N 2.69Å; Y259-S262 VanDerWaalsContact O-N 3.07Å; Y259-S262 PolarHBondContact O-OG 3.45Å; Y259-L263 HydrophobicContact CE1-CD1 4.03Å; Y259-L263 HydrophobicContact CE1-CD2 4.47Å; Y259-L263 HydrophobicContact CE1-CG 4.45Å; Y259-L263 PolarHBondContact O-N 3.02Å
260I87.6Confident89.6Confident8 Ų873.1 Ų73.14%0.04139%0.392CS..Hα-helixtrans-60.9-44.1178.8-61.1159000111.1W198 M237 P243 L248 I251 A256 R257 S262 L263W198-I260 HydrophobicContact CE3-CD1 3.54Å; W198-I260 HydrophobicContact CE3-CG1 4.46Å; W198-I260 HydrophobicContact CH2-CD1 4.07Å; W198-I260 HydrophobicContact CZ3-CD1 3.13Å; W198-I260 HydrophobicContact CZ3-CG1 3.83Å; M237-I260 HydrophobicContact CE-CG1 4.03Å; M237-I260 HydrophobicContact CE-CG2 4.04Å; P243-I260 HydrophobicContact CB-CG2 4.49Å; P243-I260 HydrophobicContact CG-CD1 4.48Å; P243-I260 HydrophobicContact CG-CG2 3.94Å; L248-I260 HydrophobicContact CD2-CB 4.23Å; L248-I260 HydrophobicContact CD2-CD1 4.18Å; L248-I260 HydrophobicContact CD2-CG2 3.78Å; I251-I260 HydrophobicContact CD1-CD1 3.36Å; A256-I260 WeakPolarHBondContact O-CD1 3.02Å; A256-I260 WeakPolarHBondContact O-CG1 3.49Å; A256-I260 PolarHBondContact O-N 2.6Å; R257-I260 PolarHBondContact O-N 3.13Å; I260-S262 PolarHBondContact O-N 3.13Å; I260-L263 WeakPolarHBondContact O-CB 3.06Å; I260-L263 PolarHBondContact O-N 3.09Å
261N89.4Confident90.1Very high95 Ų9569.8 Ų69.851%0.50838%0.377SS..Hα-helixtrans-63.4-22.6177.8-76.7-27.1000113.1R257 N258 Y259 L263R257-N261 WeakPolarHBondContact O-CB 3.32Å; R257-N261 PolarHBondContact O-N 2.91Å; R257-N261 PolarHBondContact O-ND2 3.29Å; N258-N261 PolarHBondContact O-N 3.1Å; Y259-N261 VanDerWaalsContact C-N 3.34Å; Y259-N261 PolarHBondContact O-N 3.34Å; N261-L263 VanDerWaalsContact C-N 3.32Å
262S90.6Very high90.6Very high86 Ų8672.1 Ų72.160%0.60140%0.397SS*.Hα-helixtrans-78.9-15.117580.10000113.5N258 Y259 I260N258-S262 PolarHBondContact O-N 2.8Å; N258-S262 VanDerWaalsContact O-N 3.13Å; Y259-S262 WeakPolarHBondContact O-CB 3.41Å; Y259-S262 PolarHBondContact O-N 2.69Å; Y259-S262 VanDerWaalsContact O-N 3.07Å; Y259-S262 PolarHBondContact O-OG 3.45Å; I260-S262 PolarHBondContact O-N 3.13Å
263L88.8Confident91.2Very high27 Ų2773 Ų7314%0.14140%0.395CS..SBendtrans-79.7147.2179-62.3176.1000110.9M237 Y259 I260 N261M237-L263 HydrophobicContact SD-CD1 3.75Å; Y259-L263 HydrophobicContact CE1-CD1 4.03Å; Y259-L263 HydrophobicContact CE1-CD2 4.47Å; Y259-L263 HydrophobicContact CE1-CG 4.45Å; Y259-L263 PolarHBondContact O-N 3.02Å; I260-L263 WeakPolarHBondContact O-CB 3.06Å; I260-L263 PolarHBondContact O-N 3.09Å; N261-L263 VanDerWaalsContact C-N 3.32Å
264P92.3Very high91.9Very high95 Ų9573.6 Ų73.662%0.61740%0.397SS*.PPolyproline II helixtrans-63.1142.6170.928.2-33.8000110.1M266P264-M266 HydrophobicContact CG-CE 4.43Å; P264-M266 PolarHBondContact O-N 3.22Å
265H93.9Very high92.4Very high147 Ų14768.9 Ų68.968%0.68137%0.372SS*.PPolyproline II helixtrans-59.8130.5175.2174.6-85.1000110.8T242T242-H265 PolarHBondContact OG1-CD2 3.41Å; T242-H265 VanDerWaalsContact OG1-CD2 3.31Å
266M95.5Very high92.9Very high34 Ų3471.3 Ų71.317%0.16738%0.377CS..  trans-120.1121.5177.5-60.6174.8-129.900108.9M237 M238 G241 T242 P264M237-M266 HydrophobicContact CB-CE 4.31Å; M237-M266 HydrophobicContact CB-SD 4.1Å; M238-M266 HydrophobicContact CG-SD 3.87Å; G241-M266 CarbonylContact C-O 3.55Å; G241-M266 WeakPolarHBondContact CA-O 3.49Å; T242-M266 HydrophobicContact CG2-CB 4.1Å; T242-M266 HydrophobicContact CG2-CE 4.31Å; T242-M266 HydrophobicContact CG2-CG 4.25Å; T242-M266 PolarHBondContact N-O 3.37Å; T242-M266 PolarHBondContact OG1-N 3.35Å; T242-M266 VanDerWaalsContact OG1-N 3.14Å; T242-M266 PolarHBondContact OG1-O 3.43Å; P264-M266 HydrophobicContact CG-CE 4.43Å; P264-M266 PolarHBondContact O-N 3.22Å
267P96.1Very high93.4Very high94 Ų9475 Ų7561%0.6142%0.415SS*.PPolyproline II helixtrans-71.2147.9173.530.3-33.5000110.6R269P267-R269 PolarHBondContact O-N 2.92Å
268K97.3Very high93.9Very high104 Ų10472.8 Ų72.845%0.45241%0.413SS..PPolyproline II helixtrans-56.3131.7169.6180-177.8170.3-167.30109.1E287K268-E287 WeakPolarHBondContact CE-OE1 3.34Å; K268-E287 IonicContact NZ-OE1 3.56Å; K268-E287 PolarHBondContact NZ-OE1 3.39Å
269R97.5Very high94.3Very high127 Ų12769.9 Ų69.948%0.47940%0.398SS..PPolyproline II helixtrans-76.4151174.1-67.3-175.765.9-170.8-2.7110.3M238 L239 P267 F271 V274M238-R269 WeakPolarHBondContact O-CD 3.28Å; M238-R269 WeakPolarHBondContact O-CG 3.12Å; L239-R269 HydrophobicContact CD1-CB 4.41Å; L239-R269 PolarHBondContact O-N 3.05Å; P267-R269 PolarHBondContact O-N 2.92Å; R269-F271 WeakPolarHBondContact O-CD1 3.3Å; R269-F271 PolarHBondContact O-N 3Å; R269-V274 HydrophobicContact CB-CG2 4.17Å
270N97.6Very high94.9Very high87 Ų8771.7 Ų71.747%0.46542%0.418SS..PPolyproline II helixtrans-69.4118.7168.6179.2-0.2000109.5A272 D273 V274N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 3.27Å; N270-A272 WeakPolarHBondContact OD1-CB 3.32Å; N270-A272 PolarHBondContact OD1-N 3.26Å; N270-A272 VanDerWaalsContact OD1-N 3.11Å; N270-D273 HydrophobicContact CB-CB 4.47Å; N270-D273 WeakPolarHBondContact CB-OD2 3.35Å; N270-D273 PolarHBondContact ND2-OD2 3.4Å; N270-D273 PolarHBondContact O-N 2.98Å; N270-V274 PolarHBondContact O-N 2.97Å
271F98.3Very high95.4Very high0 Ų073.9 Ų73.90%043%0.429CS..Hα-helixtrans-67.9-27.9-175.4-83.531.9000112.4L239 V240 R269 D273 V274 F275 V283 L286 E287 L290L239-F271 HydrophobicContact CD1-CD1 4.15Å; L239-F271 HydrophobicContact CD1-CE1 3.82Å; L239-F271 HydrophobicContact CD1-CZ 4.4Å; L239-F271 HydrophobicContact CD2-CE1 4.44Å; L239-F271 HydrophobicContact CD2-CZ 4.23Å; L239-F271 HydrophobicContact CG-CE1 3.82Å; L239-F271 HydrophobicContact CG-CZ 4.05Å; V240-F271 HydrophobicContact CG1-CZ 4.22Å; R269-F271 WeakPolarHBondContact O-CD1 3.3Å; R269-F271 PolarHBondContact O-N 3Å; F271-D273 PolarHBondContact O-N 2.97Å; F271-V274 PolarHBondContact O-N 3.15Å; F271-F275 HydrophobicContact CB-CD2 4.02Å; F271-F275 HydrophobicContact CB-CE2 4.23Å; F271-F275 HydrophobicContact CD2-CD2 4.2Å; F271-F275 AromaticContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CE2-CE2 4.22Å; F271-F275 HydrophobicContact CG-CD2 4.3Å; F271-F275 AromaticContact CG-CE2 4Å; F271-F275 HydrophobicContact CG-CE2 4Å; F271-F275 VanDerWaalsContact O-CD2 3.29Å; F271-F275 WeakPolarHBondContact O-CD2 3.45Å; F271-F275 PolarHBondContact O-N 3.4Å; F271-V283 HydrophobicContact CB-CG1 3.66Å; F271-L286 HydrophobicContact CD2-CB 4Å; F271-L286 HydrophobicContact CE2-CB 4.17Å; F271-E287 HydrophobicContact CB-CG 3.74Å; F271-E287 HydrophobicContact CD1-CG 4.23Å; F271-E287 HydrophobicContact CD2-CB 4.27Å; F271-E287 HydrophobicContact CD2-CG 3.35Å; F271-E287 HydrophobicContact CE2-CB 4.48Å; F271-E287 HydrophobicContact CE2-CG 3.94Å; F271-E287 HydrophobicContact CG-CG 3.51Å; F271-L290 HydrophobicContact CE2-CB 4.07Å; F271-L290 HydrophobicContact CE2-CD1 3.9Å; F271-L290 HydrophobicContact CZ-CB 4.07Å; F271-L290 HydrophobicContact CZ-CD1 4.26Å
272A97.4Very high95.9Very high49 Ų4969.4 Ų69.441%0.40541%0.405SS..Hα-helixtrans-62.3-32.2174.900000112.4N270 V274 V283N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 3.27Å; N270-A272 WeakPolarHBondContact OD1-CB 3.32Å; N270-A272 PolarHBondContact OD1-N 3.26Å; N270-A272 VanDerWaalsContact OD1-N 3.11Å; A272-V274 VanDerWaalsContact C-N 3.35Å; A272-V283 HydrophobicContact CB-CG1 4.5Å
273D96.6Very high96.3Very high98 Ų9865.9 Ų65.952%0.52438%0.38SS..Hα-helixtrans-79.7-19.9176.8-61.2-32.7000112.5N270 F271N270-D273 HydrophobicContact CB-CB 4.47Å; N270-D273 WeakPolarHBondContact CB-OD2 3.35Å; N270-D273 PolarHBondContact ND2-OD2 3.4Å; N270-D273 PolarHBondContact O-N 2.98Å; F271-D273 PolarHBondContact O-N 2.97Å
274V96.6Very high96.7Very high41 Ų4167.4 Ų67.425%0.24839%0.388CS..Hα-helixtrans-86.6-45.3177.8178.70000110.3L239 R269 N270 F271 A272 L276L239-V274 HydrophobicContact CD1-CB 4.3Å; L239-V274 HydrophobicContact CD1-CG1 3.97Å; L239-V274 HydrophobicContact CD1-CG2 3.75Å; R269-V274 HydrophobicContact CB-CG2 4.17Å; N270-V274 PolarHBondContact O-N 2.97Å; F271-V274 PolarHBondContact O-N 3.15Å; A272-V274 VanDerWaalsContact C-N 3.35Å; V274-L276 PolarHBondContact O-N 3.24Å
275F96.4Very high97.1Very high7 Ų762.9 Ų62.93%0.03136%0.359CS..SBendtrans-101.557.3-178.5-55.8-69.7000110.6A215 T219 L223 F271 G277 A278 V283 L286A215-F275 HydrophobicContact CB-CE1 3.73Å; A215-F275 HydrophobicContact CB-CZ 3.97Å; T219-F275 HydrophobicContact CG2-CD1 3.8Å; T219-F275 HydrophobicContact CG2-CE1 4.16Å; L223-F275 HydrophobicContact CD1-CE1 4.26Å; L223-F275 HydrophobicContact CD1-CZ 4.07Å; F271-F275 HydrophobicContact CB-CD2 4.02Å; F271-F275 HydrophobicContact CB-CE2 4.23Å; F271-F275 HydrophobicContact CD2-CD2 4.2Å; F271-F275 AromaticContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CD2-CE2 3.67Å; F271-F275 HydrophobicContact CE2-CE2 4.22Å; F271-F275 HydrophobicContact CG-CD2 4.3Å; F271-F275 AromaticContact CG-CE2 4Å; F271-F275 HydrophobicContact CG-CE2 4Å; F271-F275 VanDerWaalsContact O-CD2 3.29Å; F271-F275 WeakPolarHBondContact O-CD2 3.45Å; F271-F275 PolarHBondContact O-N 3.4Å; F275-G277 PolarHBondContact O-N 2.87Å; F275-A278 HydrophobicContact CB-CB 4.03Å; F275-A278 VanDerWaalsContact O-CB 3.3Å; F275-A278 WeakPolarHBondContact O-CB 3.3Å; F275-A278 PolarHBondContact O-N 3.39Å; F275-A278 VanDerWaalsContact O-N 3.1Å; F275-V283 HydrophobicContact CB-CG2 4.19Å; F275-L286 HydrophobicContact CD1-CD1 4.24Å; F275-L286 HydrophobicContact CD2-CD1 3.86Å; F275-L286 HydrophobicContact CE1-CD1 4.13Å; F275-L286 HydrophobicContact CE2-CD1 3.75Å; F275-L286 HydrophobicContact CG-CD1 4.12Å; F275-L286 HydrophobicContact CZ-CD1 3.88Å
276L94.9Very high97.3Very high140 Ų14055.9 Ų55.973%0.73333%0.327SS*.THydrogen-bonded Turntrans-57.2124.6-176.3-71.9169.1000111.9V274 A278V274-L276 PolarHBondContact O-N 3.24Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 3.05Å
277G93.4Very high97.4Very high88 Ų8857 Ų5791%0.90733%0.331SS*.THydrogen-bonded Turntrans81.60.7178.300000114.9F275F275-G277 PolarHBondContact O-N 2.87Å
278A96.8Very high97.6Very high28 Ų2856 Ų5623%0.23132%0.317CS..SBendtrans-71156.6170.500000111.3F275 L276 V283F275-A278 HydrophobicContact CB-CB 4.03Å; F275-A278 VanDerWaalsContact O-CB 3.3Å; F275-A278 WeakPolarHBondContact O-CB 3.3Å; F275-A278 PolarHBondContact O-N 3.39Å; F275-A278 VanDerWaalsContact O-N 3.1Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 3.05Å; A278-V283 HydrophobicContact CB-CG2 4.01Å
279N98.1Very high97.6Very high48 Ų4851.1 Ų51.126%0.25730%0.296SS..  trans-56.9129.1173.6-176.9-27.5000110.1D125 L281 A282 V283 Y308D125-N279 WeakPolarHBondContact OD2-CB 3.41Å; D125-N279 PolarHBondContact OD2-ND2 3.42Å; N279-L281 PolarHBondContact O-N 3Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 WeakPolarHBondContact OD1-CB 3.47Å; N279-L281 PolarHBondContact OD1-N 3.24Å; N279-A282 HydrophobicContact CB-CB 4.02Å; N279-A282 WeakPolarHBondContact O-CA 3.35Å; N279-A282 VanDerWaalsContact O-CB 3.28Å; N279-A282 WeakPolarHBondContact O-CB 3.34Å; N279-A282 PolarHBondContact O-N 3.11Å; N279-V283 PolarHBondContact O-N 3.39Å; N279-Y308 HydrophobicContact CB-CE2 4.28Å
280P98.6Very high97.7Very high103 Ų10345.3 Ų45.367%0.66927%0.274SS*.Hα-helixtrans-54.7-32.2178.5-2835.7000114.1V283 D284P280-V283 PolarHBondContact O-N 3.03Å; P280-D284 PolarHBondContact O-N 2.8Å
281L98.7Very high97.6Very high54 Ų5442.8 Ų42.828%0.28326%0.262SS..Hα-helixtrans-70.8-33.4175.7-63.5177.5000112.2N279 L285 H306 Q307 Y308N279-L281 PolarHBondContact O-N 3Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 WeakPolarHBondContact OD1-CB 3.47Å; N279-L281 PolarHBondContact OD1-N 3.24Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 PolarHBondContact O-N 2.87Å; L281-H306 PolarHBondContact O-CE1 3.31Å; L281-Q307 HydrophobicContact CD1-CB 4.21Å; L281-Q307 HydrophobicContact CD2-CB 4.07Å; L281-Y308 HydrophobicContact CB-CD2 3.88Å; L281-Y308 HydrophobicContact CB-CG 4.38Å
282A98.5Very high97.4Very high0 Ų043.4 Ų43.40%027%0.266CS..Hα-helixtrans-67.3-40.6173.200000110.9M214 L218 N279 L285 L286 Y308M214-A282 HydrophobicContact CE-CB 3.58Å; L218-A282 HydrophobicContact CD1-CB 4.26Å; N279-A282 HydrophobicContact CB-CB 4.02Å; N279-A282 WeakPolarHBondContact O-CA 3.35Å; N279-A282 VanDerWaalsContact O-CB 3.28Å; N279-A282 WeakPolarHBondContact O-CB 3.34Å; N279-A282 PolarHBondContact O-N 3.11Å; A282-L285 PolarHBondContact O-N 3.33Å; A282-L286 WeakPolarHBondContact O-CG 3.45Å; A282-L286 PolarHBondContact O-N 3.38Å; A282-Y308 HydrophobicContact CB-CD2 4.08Å; A282-Y308 HydrophobicContact CB-CE1 4.32Å; A282-Y308 HydrophobicContact CB-CE2 3.61Å
283V98.7Very high97.1Very high13 Ų1341.5 Ų41.58%0.07925%0.249CC..Hα-helixtrans-62.9-47.8176.3176.80000111F271 A272 F275 A278 N279 P280 L285 L286 E287F271-V283 HydrophobicContact CB-CG1 3.66Å; A272-V283 HydrophobicContact CB-CG1 4.5Å; F275-V283 HydrophobicContact CB-CG2 4.19Å; A278-V283 HydrophobicContact CB-CG2 4.01Å; N279-V283 PolarHBondContact O-N 3.39Å; P280-V283 PolarHBondContact O-N 3.03Å; V283-L285 VanDerWaalsContact C-N 3.32Å; V283-L285 PolarHBondContact O-N 3.07Å; V283-L286 WeakPolarHBondContact O-CB 3.35Å; V283-L286 PolarHBondContact O-N 3.06Å; V283-E287 WeakPolarHBondContact O-CG 3.24Å; V283-E287 PolarHBondContact O-N 2.88Å
284D98.8Very high96.9Very high59 Ų5937.1 Ų37.132%0.31623%0.225SC..Hα-helixtrans-60.3-40.6176.6-18059.3000111.9P280 E287 K288 H306P280-D284 PolarHBondContact O-N 2.8Å; D284-E287 PolarHBondContact O-N 2.99Å; D284-K288 WeakPolarHBondContact O-CG 3.48Å; D284-K288 PolarHBondContact O-N 3.21Å; D284-K288 IonicContact OD1-NZ 2.96Å; D284-K288 WeakPolarHBondContact OD2-CE 3.48Å; D284-K288 IonicContact OD2-NZ 3.81Å; D284-K288 PolarHBondContact OD2-NZ 3.05Å; D284-H306 IonicContact OD2-CE1 2.69Å; D284-H306 PolarHBondContact OD2-CE1 2.76Å; D284-H306 IonicContact OD2-NE2 2.8Å; D284-H306 PolarHBondContact OD2-NE2 2.93Å
285L98.8Very high96.6Very high0 Ų040.2 Ų40.20%024%0.24CC..Hα-helixtrans-63.8-44.4175.2-17460000112.1M214 L281 A282 V283 E287 K288 M289 I298 A303 H306 Y308 F309M214-L285 HydrophobicContact CE-CB 4.42Å; M214-L285 HydrophobicContact CE-CD2 4.1Å; M214-L285 HydrophobicContact SD-CD2 3.99Å; M214-L285 HydrophobicContact SD-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 PolarHBondContact O-N 2.87Å; A282-L285 PolarHBondContact O-N 3.33Å; V283-L285 VanDerWaalsContact C-N 3.32Å; V283-L285 PolarHBondContact O-N 3.07Å; L285-E287 VanDerWaalsContact C-N 3.28Å; L285-E287 PolarHBondContact O-N 3.4Å; L285-K288 PolarHBondContact O-N 3.25Å; L285-K288 VanDerWaalsContact O-N 3.1Å; L285-M289 HydrophobicContact CD1-CE 3.86Å; L285-M289 HydrophobicContact CD2-CE 3.83Å; L285-M289 HydrophobicContact CG-CE 3.72Å; L285-M289 HydrophobicContact CG-SD 4.2Å; L285-M289 WeakPolarHBondContact O-CG 3.26Å; L285-M289 PolarHBondContact O-N 3.28Å; L285-I298 HydrophobicContact CD1-CD1 4.36Å; L285-A303 HydrophobicContact CD1-CB 4.29Å; L285-H306 HydrophobicContact CD1-CB 4.09Å; L285-Y308 HydrophobicContact CD2-CD1 3.81Å; L285-Y308 HydrophobicContact CD2-CG 4.47Å; L285-F309 HydrophobicContact CD2-CE2 3.42Å; L285-F309 VanDerWaalsContact CD2-CE2 3.42Å; L285-F309 HydrophobicContact CD2-CZ 3.39Å
286L98.8Very high96.5Very high0 Ų045.3 Ų45.30%026%0.263CS..Hα-helixtrans-59.2-38.5174.9-78.4172.8000112.1G211 M214 A215 L218 F271 F275 A282 V283 K288 M289 L290G211-L286 VanDerWaalsContact O-CD2 3.24Å; G211-L286 WeakPolarHBondContact O-CD2 3.49Å; M214-L286 HydrophobicContact CB-CD2 3.98Å; M214-L286 HydrophobicContact CE-CG 4.38Å; M214-L286 HydrophobicContact CG-CD2 3.96Å; M214-L286 HydrophobicContact CG-CG 4.35Å; M214-L286 HydrophobicContact SD-CD2 4.06Å; M214-L286 HydrophobicContact SD-CG 4.14Å; A215-L286 HydrophobicContact CB-CD1 4.48Å; A215-L286 HydrophobicContact CB-CD2 4.11Å; L218-L286 HydrophobicContact CD1-CD1 3.8Å; F271-L286 HydrophobicContact CD2-CB 4Å; F271-L286 HydrophobicContact CE2-CB 4.17Å; F275-L286 HydrophobicContact CD1-CD1 4.24Å; F275-L286 HydrophobicContact CD2-CD1 3.86Å; F275-L286 HydrophobicContact CE1-CD1 4.13Å; F275-L286 HydrophobicContact CE2-CD1 3.75Å; F275-L286 HydrophobicContact CG-CD1 4.12Å; F275-L286 HydrophobicContact CZ-CD1 3.88Å; A282-L286 WeakPolarHBondContact O-CG 3.45Å; A282-L286 PolarHBondContact O-N 3.38Å; V283-L286 WeakPolarHBondContact O-CB 3.35Å; V283-L286 PolarHBondContact O-N 3.06Å; L286-K288 PolarHBondContact O-N 3.09Å; L286-M289 PolarHBondContact O-N 2.98Å; L286-L290 HydrophobicContact CD2-CD1 4.23Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.22Å
287E98.5Very high96.6Very high57 Ų5739 Ų3927%0.26623%0.229SC..Hα-helixtrans-64.2-29.7176.7-72.8-161.6114.400113.2K268 F271 V283 D284 L285 V291K268-E287 WeakPolarHBondContact CE-OE1 3.34Å; K268-E287 IonicContact NZ-OE1 3.56Å; K268-E287 PolarHBondContact NZ-OE1 3.39Å; F271-E287 HydrophobicContact CB-CG 3.74Å; F271-E287 HydrophobicContact CD1-CG 4.23Å; F271-E287 HydrophobicContact CD2-CB 4.27Å; F271-E287 HydrophobicContact CD2-CG 3.35Å; F271-E287 HydrophobicContact CE2-CB 4.48Å; F271-E287 HydrophobicContact CE2-CG 3.94Å; F271-E287 HydrophobicContact CG-CG 3.51Å; V283-E287 WeakPolarHBondContact O-CG 3.24Å; V283-E287 PolarHBondContact O-N 2.88Å; D284-E287 PolarHBondContact O-N 2.99Å; L285-E287 VanDerWaalsContact C-N 3.28Å; L285-E287 PolarHBondContact O-N 3.4Å; E287-V291 WeakPolarHBondContact O-CG2 3.2Å
288K98.7Very high96.9Very high74 Ų7435.7 Ų35.732%0.32219%0.19SC..Hα-helixtrans-83.6-27.7177.2-68.1169.6-177.6162.60113D284 L285 L286 V291 I298 H306D284-K288 WeakPolarHBondContact O-CG 3.48Å; D284-K288 PolarHBondContact O-N 3.21Å; D284-K288 IonicContact OD1-NZ 2.96Å; D284-K288 WeakPolarHBondContact OD2-CE 3.48Å; D284-K288 IonicContact OD2-NZ 3.81Å; D284-K288 PolarHBondContact OD2-NZ 3.05Å; L285-K288 PolarHBondContact O-N 3.25Å; L285-K288 VanDerWaalsContact O-N 3.1Å; L286-K288 PolarHBondContact O-N 3.09Å; K288-V291 WeakPolarHBondContact O-CG2 3.23Å; K288-I298 HydrophobicContact CB-CB 4.09Å; K288-I298 HydrophobicContact CB-CD1 4.31Å; K288-I298 HydrophobicContact CB-CG2 4.05Å; K288-I298 HydrophobicContact CD-CD1 4.22Å; K288-I298 PolarHBondContact O-N 3.13Å; K288-H306 PolarHBondContact NZ-CD2 3.07Å; K288-H306 PolarHBondContact NZ-NE2 3.21Å
289M98.6Very high96.9Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-82.3-42.2175.6-67.4-179.6170.300112.8I132 L136 I207 V210 M214 L285 L286 V291 R297 I298 A303I132-M289 HydrophobicContact CG2-CE 4.48Å; L136-M289 HydrophobicContact CD1-CE 3.91Å; L136-M289 HydrophobicContact CD2-CE 4.04Å; L136-M289 HydrophobicContact CG-CE 4.45Å; I207-M289 HydrophobicContact CG2-CB 3.98Å; I207-M289 HydrophobicContact CG2-CG 3.74Å; V210-M289 HydrophobicContact CB-SD 4.46Å; V210-M289 HydrophobicContact CG1-CE 3.87Å; V210-M289 HydrophobicContact CG1-SD 4Å; M214-M289 HydrophobicContact SD-SD 4.39Å; L285-M289 HydrophobicContact CD1-CE 3.86Å; L285-M289 HydrophobicContact CD2-CE 3.83Å; L285-M289 HydrophobicContact CG-CE 3.72Å; L285-M289 HydrophobicContact CG-SD 4.2Å; L285-M289 WeakPolarHBondContact O-CG 3.26Å; L285-M289 PolarHBondContact O-N 3.28Å; L286-M289 PolarHBondContact O-N 2.98Å; M289-V291 PolarHBondContact O-N 3.11Å; M289-V291 VanDerWaalsContact O-N 3.07Å; M289-R297 WeakPolarHBondContact O-CD 3.45Å; M289-R297 VanDerWaalsContact O-CG 3.26Å; M289-R297 WeakPolarHBondContact O-CG 3.32Å; M289-I298 HydrophobicContact CG-CG2 3.86Å; M289-A303 HydrophobicContact CE-CB 4.23Å
290L98.4Very high96.9Very high5 Ų534.8 Ų34.83%0.02618%0.184CC..SBendtrans-9054.7-174.9-63.1174.5000111.8W208 L223 F224 L239 V240 F271 L286W208-L290 HydrophobicContact CD2-CD2 4.18Å; W208-L290 HydrophobicContact CE3-CD2 4.25Å; W208-L290 HydrophobicContact CH2-CD2 4.43Å; W208-L290 HydrophobicContact CZ2-CD2 4.37Å; W208-L290 HydrophobicContact CZ3-CB 4.44Å; W208-L290 HydrophobicContact CZ3-CD2 4.38Å; L223-L290 HydrophobicContact CD2-CD1 3.62Å; L223-L290 HydrophobicContact CD2-CD2 4.3Å; F224-L290 HydrophobicContact CE2-CD2 4.36Å; L239-L290 HydrophobicContact CD2-CD1 4.37Å; V240-L290 HydrophobicContact CG1-CB 4.21Å; V240-L290 VanDerWaalsContact CG1-O 3.29Å; V240-L290 WeakPolarHBondContact CG1-O 3.5Å; F271-L290 HydrophobicContact CE2-CB 4.07Å; F271-L290 HydrophobicContact CE2-CD1 3.9Å; F271-L290 HydrophobicContact CZ-CB 4.07Å; F271-L290 HydrophobicContact CZ-CD1 4.26Å; L286-L290 HydrophobicContact CD2-CD1 4.23Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.22Å
291V96.9Very high96.9Very high34 Ų3432.5 Ų32.521%0.20617%0.17CC..  trans-104.6129.6177.9-177.30000109.7E287 K288 M289 D293 K296 R297E287-V291 WeakPolarHBondContact O-CG2 3.2Å; K288-V291 WeakPolarHBondContact O-CG2 3.23Å; M289-V291 PolarHBondContact O-N 3.11Å; M289-V291 VanDerWaalsContact O-N 3.07Å; V291-D293 HydrophobicContact CG1-CB 4.33Å; V291-K296 HydrophobicContact CG1-CB 3.98Å; V291-R297 HydrophobicContact CB-CB 4.4Å; V291-R297 PolarHBondContact O-NE 3.3Å; V291-R297 PolarHBondContact O-NH2 3.16Å
292L93.6Very high96.9Very high14 Ų1435.2 Ų35.27%0.07318%0.181CC..SBendtrans-68-36.9179.3-71.4-179.7000113.2P192 W208 I236 V240 G241 P243 L247 T294P192-L292 HydrophobicContact CG-CD2 3.75Å; W208-L292 HydrophobicContact CH2-CD2 4.17Å; W208-L292 HydrophobicContact CZ3-CD2 4.3Å; I236-L292 HydrophobicContact CG2-CD2 3.89Å; V240-L292 HydrophobicContact CB-CG 4.43Å; V240-L292 HydrophobicContact CG2-CD1 3.77Å; V240-L292 HydrophobicContact CG2-CD2 3.61Å; V240-L292 HydrophobicContact CG2-CG 3.46Å; V240-L292 VanDerWaalsContact CG2-CG 3.46Å; G241-L292 WeakPolarHBondContact O-CD1 3.29Å; P243-L292 HydrophobicContact CG-CD1 4.04Å; L247-L292 HydrophobicContact CD2-CB 3.54Å; L292-T294 PolarHBondContact O-N 3.47Å
293D92Very high96.9Very high9 Ų935.2 Ų35.25%0.04818%0.181CC..SBendtrans-78.8108.1177.6-167.5-9.1000108.9L247 K250 V291 D295 K296 R297L247-D293 HydrophobicContact CD1-CB 4.11Å; L247-D293 HydrophobicContact CD2-CB 4.31Å; K250-D293 IonicContact NZ-OD1 2.74Å; K250-D293 PolarHBondContact NZ-OD1 2.8Å; K250-D293 IonicContact NZ-OD2 2.81Å; K250-D293 PolarHBondContact NZ-OD2 2.84Å; V291-D293 HydrophobicContact CG1-CB 4.33Å; D293-D295 PolarHBondContact O-N 2.71Å; D293-K296 HydrophobicContact CB-CB 4.26Å; D293-K296 HydrophobicContact CB-CD 4.07Å; D293-K296 HydrophobicContact CB-CG 4.27Å; D293-K296 PolarHBondContact O-N 3.28Å; D293-K296 WeakPolarHBondContact OD2-CD 3.19Å; D293-K296 VanDerWaalsContact OD2-CE 3.24Å; D293-K296 WeakPolarHBondContact OD2-CE 3.26Å; D293-K296 IonicContact OD2-NZ 3.39Å; D293-K296 PolarHBondContact OD2-NZ 3.08Å; D293-R297 PolarHBondContact O-N 3.4Å
294T91Very high96.9Very high6 Ų634.6 Ų34.64%0.03718%0.178CC..G310 helixtrans-58-32.5-176.144.60000112.7E193 M199 L292 K296 R297E193-T294 HydrophobicContact CG-CG2 3.98Å; E193-T294 WeakPolarHBondContact OE1-CG2 3.07Å; M199-T294 HydrophobicContact CE-CG2 3.46Å; M199-T294 VanDerWaalsContact CE-CG2 3.46Å; L292-T294 PolarHBondContact O-N 3.47Å; T294-K296 PolarHBondContact O-N 2.81Å; T294-R297 PolarHBondContact O-N 3.49Å
295D90.4Very high96.8Very high106 Ų10634.8 Ų34.857%0.56719%0.187SC*.G310 helixtrans-73.5-14.8-178.6-55.4-23000112.4K250 D293K250-D295 IonicContact NZ-OD2 3.42Å; K250-D295 PolarHBondContact NZ-OD2 3.37Å; D293-D295 PolarHBondContact O-N 2.71Å
296K94.8Very high96.8Very high114 Ų11435.5 Ų35.550%0.49619%0.191SC..G310 helixtrans-107.3-2.4179.4-63177.4-177.5142.20112.2E246 V291 D293 T294E246-K296 IonicContact OE1-NZ 3.11Å; E246-K296 PolarHBondContact OE1-NZ 3.34Å; E246-K296 IonicContact OE2-NZ 3.28Å; E246-K296 PolarHBondContact OE2-NZ 3.11Å; V291-K296 HydrophobicContact CG1-CB 3.98Å; D293-K296 HydrophobicContact CB-CB 4.26Å; D293-K296 HydrophobicContact CB-CD 4.07Å; D293-K296 HydrophobicContact CB-CG 4.27Å; D293-K296 PolarHBondContact O-N 3.28Å; D293-K296 WeakPolarHBondContact OD2-CD 3.19Å; D293-K296 VanDerWaalsContact OD2-CE 3.24Å; D293-K296 WeakPolarHBondContact OD2-CE 3.26Å; D293-K296 IonicContact OD2-NZ 3.39Å; D293-K296 PolarHBondContact OD2-NZ 3.08Å; T294-K296 PolarHBondContact O-N 2.81Å
297R96.9Very high96.8Very high7 Ų742 Ų423%0.02622%0.221CC..SBendtrans-78134.5178.6-163177.4-59144.52108.6E193 T204 I207 M289 V291 D293 T294E193-R297 IonicContact OE1-CZ 2.74Å; E193-R297 IonicContact OE1-NH1 3.82Å; E193-R297 PolarHBondContact OE1-NH1 3.14Å; E193-R297 IonicContact OE1-NH2 3.55Å; E193-R297 PolarHBondContact OE1-NH2 3.16Å; E193-R297 IonicContact OE2-NH2 3.8Å; E193-R297 PolarHBondContact OE2-NH2 2.76Å; T204-R297 VanDerWaalsContact C-NH1 3.29Å; T204-R297 HydrophobicContact CG2-CB 4.43Å; T204-R297 VanDerWaalsContact O-CD 3.27Å; T204-R297 WeakPolarHBondContact O-CD 3.28Å; T204-R297 PolarHBondContact O-NH1 3.01Å; T204-R297 PolarHBondContact OG1-NH1 3.46Å; I207-R297 HydrophobicContact CB-CG 4.41Å; I207-R297 HydrophobicContact CG2-CG 4.07Å; M289-R297 WeakPolarHBondContact O-CD 3.45Å; M289-R297 VanDerWaalsContact O-CG 3.26Å; M289-R297 WeakPolarHBondContact O-CG 3.32Å; V291-R297 HydrophobicContact CB-CB 4.4Å; V291-R297 PolarHBondContact O-NE 3.3Å; V291-R297 PolarHBondContact O-NH2 3.16Å; D293-R297 PolarHBondContact O-N 3.4Å; T294-R297 PolarHBondContact O-N 3.49Å
298I98.5Very high96.8Very high19 Ų1939.3 Ų39.310%0.09721%0.209CC..PPolyproline II helixtrans-57.8143.7177.3-163.9168.5000110.7I207 L285 K288 M289 E302 A303I207-I298 WeakPolarHBondContact CG1-O 3.48Å; I207-I298 HydrophobicContact CG2-CG2 3.96Å; I207-I298 WeakPolarHBondContact CG2-O 3.25Å; L285-I298 HydrophobicContact CD1-CD1 4.36Å; K288-I298 HydrophobicContact CB-CB 4.09Å; K288-I298 HydrophobicContact CB-CD1 4.31Å; K288-I298 HydrophobicContact CB-CG2 4.05Å; K288-I298 HydrophobicContact CD-CD1 4.22Å; K288-I298 PolarHBondContact O-N 3.13Å; M289-I298 HydrophobicContact CG-CG2 3.86Å; I298-E302 HydrophobicContact CD1-CB 4.02Å; I298-E302 HydrophobicContact CG1-CB 3.46Å; I298-E302 VanDerWaalsContact CG1-CB 3.46Å; I298-A303 HydrophobicContact CD1-CB 3.96Å; I298-A303 HydrophobicContact CG1-CB 4.18Å; I298-A303 HydrophobicContact CG2-CB 4.3Å
299T98.3Very high96.8Very high54 Ų5435.8 Ų35.833%0.33119%0.193SC..PPolyproline II helixtrans-84168.9173.261.40000111.7S301 E302 A303T299-S301 PolarHBondContact O-N 3.27Å; T299-E302 WeakPolarHBondContact CB-OE2 3.37Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.42Å; T299-E302 PolarHBondContact N-OE2 3.38Å; T299-E302 PolarHBondContact O-N 3.45Å; T299-E302 WeakPolarHBondContact OG1-CB 3.08Å; T299-E302 VanDerWaalsContact OG1-CD 3.22Å; T299-E302 WeakPolarHBondContact OG1-CG 3.24Å; T299-E302 PolarHBondContact OG1-N 2.76Å; T299-E302 PolarHBondContact OG1-OE2 3.49Å; T299-A303 VanDerWaalsContact O-CB 3.22Å; T299-A303 WeakPolarHBondContact O-CB 3.49Å; T299-A303 PolarHBondContact O-N 3.1Å
300A98.1Very high96.7Very high2 Ų240 Ų402%0.01722%0.223CC..Hα-helixtrans-60-45.5175.100000111.6L139 K140 I207 A303 L304L139-A300 HydrophobicContact CB-CB 4.34Å; L139-A300 HydrophobicContact CG-CB 4.44Å; K140-A300 HydrophobicContact CB-CB 4.15Å; I207-A300 HydrophobicContact CD1-CB 4.05Å; A300-A303 PolarHBondContact O-N 3.1Å; A300-L304 WeakPolarHBondContact O-CG 3.29Å; A300-L304 PolarHBondContact O-N 3.44Å
301S97.3Very high96.6Very high55 Ų5546 Ų4639%0.38525%0.251SS..Hα-helixtrans-62-44.7178.6-53.50000112.7T299 A303 L304 A305T299-S301 PolarHBondContact O-N 3.27Å; S301-A303 VanDerWaalsContact C-N 3.33Å; S301-L304 PolarHBondContact O-N 3.33Å; S301-A305 PolarHBondContact O-N 3.14Å
302E98.3Very high96.5Very high111 Ų11147.7 Ų47.752%0.51925%0.254SS..Hα-helixtrans-67.6-34.7176.2-69.6164.8147.100112.1I298 T299 A305I298-E302 HydrophobicContact CD1-CB 4.02Å; I298-E302 HydrophobicContact CG1-CB 3.46Å; I298-E302 VanDerWaalsContact CG1-CB 3.46Å; T299-E302 WeakPolarHBondContact CB-OE2 3.37Å; T299-E302 WeakPolarHBondContact CG2-OE2 3.42Å; T299-E302 PolarHBondContact N-OE2 3.38Å; T299-E302 PolarHBondContact O-N 3.45Å; T299-E302 WeakPolarHBondContact OG1-CB 3.08Å; T299-E302 VanDerWaalsContact OG1-CD 3.22Å; T299-E302 WeakPolarHBondContact OG1-CG 3.24Å; T299-E302 PolarHBondContact OG1-N 2.76Å; T299-E302 PolarHBondContact OG1-OE2 3.49Å; E302-A305 PolarHBondContact O-N 2.85Å
303A98.6Very high96.6Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-69.3-36.1178.400000112.3L136 L285 M289 I298 T299 A300 S301 A305 H306 F309L136-A303 HydrophobicContact CD1-CB 3.73Å; L136-A303 HydrophobicContact CD2-CB 3.97Å; L136-A303 HydrophobicContact CG-CB 4.46Å; L285-A303 HydrophobicContact CD1-CB 4.29Å; M289-A303 HydrophobicContact CE-CB 4.23Å; I298-A303 HydrophobicContact CD1-CB 3.96Å; I298-A303 HydrophobicContact CG1-CB 4.18Å; I298-A303 HydrophobicContact CG2-CB 4.3Å; T299-A303 VanDerWaalsContact O-CB 3.22Å; T299-A303 WeakPolarHBondContact O-CB 3.49Å; T299-A303 PolarHBondContact O-N 3.1Å; A300-A303 PolarHBondContact O-N 3.1Å; S301-A303 VanDerWaalsContact C-N 3.33Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A303-A305 PolarHBondContact O-N 3.37Å; A303-H306 WeakPolarHBondContact O-CB 3.37Å; A303-H306 PolarHBondContact O-N 3.11Å; A303-H306 VanDerWaalsContact O-N 3.08Å; A303-F309 WeakPolarHBondContact O-CD2 3.29Å; A303-F309 VanDerWaalsContact O-CE2 3.28Å; A303-F309 WeakPolarHBondContact O-CE2 3.33Å
304L98.6Very high96.8Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-61.3-39.1174.7-75162.4000112.1Y133 L136 R137 K140 A300 S301 H306 H313 E318Y133-L304 HydrophobicContact CD2-CD2 3.61Å; Y133-L304 HydrophobicContact CE2-CD2 3.53Å; L136-L304 HydrophobicContact CB-CD2 3.8Å; L136-L304 HydrophobicContact CB-CG 3.96Å; R137-L304 HydrophobicContact CB-CD2 4.22Å; K140-L304 HydrophobicContact CB-CD1 3.96Å; K140-L304 HydrophobicContact CD-CD1 3.71Å; K140-L304 HydrophobicContact CG-CD1 4.43Å; A300-L304 WeakPolarHBondContact O-CG 3.29Å; A300-L304 PolarHBondContact O-N 3.44Å; S301-L304 PolarHBondContact O-N 3.33Å; L304-H306 PolarHBondContact O-N 2.86Å; L304-H313 PolarHBondContact O-ND1 3.16Å; L304-E318 HydrophobicContact CD1-CG 4.36Å
305A98.3Very high97Very high63 Ų6356.6 Ų56.652%0.52130%0.304SS..THydrogen-bonded Turntrans-74.11.3175.600000114.1S301 E302 A303S301-A305 PolarHBondContact O-N 3.14Å; E302-A305 PolarHBondContact O-N 2.85Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A303-A305 PolarHBondContact O-N 3.37Å
306H98.8Very high97.2Very high15 Ų1559.3 Ų59.37%0.06932%0.318CS..SBendtrans-68.4143.8179.5-164.4-98.6000111.7L281 D284 L285 K288 A303 L304 Y308 F309L281-H306 PolarHBondContact O-CE1 3.31Å; D284-H306 IonicContact OD2-CE1 2.69Å; D284-H306 PolarHBondContact OD2-CE1 2.76Å; D284-H306 IonicContact OD2-NE2 2.8Å; D284-H306 PolarHBondContact OD2-NE2 2.93Å; L285-H306 HydrophobicContact CD1-CB 4.09Å; K288-H306 PolarHBondContact NZ-CD2 3.07Å; K288-H306 PolarHBondContact NZ-NE2 3.21Å; A303-H306 WeakPolarHBondContact O-CB 3.37Å; A303-H306 PolarHBondContact O-N 3.11Å; A303-H306 VanDerWaalsContact O-N 3.08Å; L304-H306 PolarHBondContact O-N 2.86Å; H306-Y308 VanDerWaalsContact ND1-CB 3.33Å; H306-Y308 WeakPolarHBondContact ND1-CB 3.44Å; H306-Y308 PolarHBondContact ND1-N 3.25Å; H306-Y308 VanDerWaalsContact ND1-N 3.2Å; H306-Y308 PolarHBondContact O-N 3.18Å; H306-F309 HydrophobicContact CB-CD2 4.29Å; H306-F309 PolarHBondContact O-N 3.33Å
307Q98.4Very high97.2Very high137 Ų13757.7 Ų57.764%0.6432%0.315SS*.G310 helixtrans-57.6-24.4179.5-71.2-174-7.300113.7L281 F309 S310L281-Q307 HydrophobicContact CD1-CB 4.21Å; L281-Q307 HydrophobicContact CD2-CB 4.07Å; Q307-F309 PolarHBondContact O-N 3.21Å; Q307-S310 WeakPolarHBondContact O-CB 3.34Å; Q307-S310 PolarHBondContact O-N 3.04Å; Q307-S310 PolarHBondContact O-OG 3.49Å
308Y98.7Very high97.2Very high1 Ų157.8 Ų57.80%0.00432%0.316CS..G310 helixtrans-60.6-20.9173.4-171.1-120.7000112.7D125 Q129 M214 N279 L281 A282 L285 H306D125-Y308 WeakPolarHBondContact OD1-CE2 3.36Å; D125-Y308 PolarHBondContact OD1-OH 2.74Å; Q129-Y308 HydrophobicContact CB-CE1 4.1Å; Q129-Y308 VanDerWaalsContact CD-O 3.26Å; Q129-Y308 HydrophobicContact CG-CD1 4.38Å; Q129-Y308 HydrophobicContact CG-CE1 4.14Å; Q129-Y308 HydrophobicContact CG-CE2 4.44Å; Q129-Y308 WeakPolarHBondContact CG-O 3.22Å; Q129-Y308 PolarHBondContact NE2-O 2.55Å; M214-Y308 HydrophobicContact CE-CD1 3.95Å; M214-Y308 HydrophobicContact CE-CE1 3.5Å; N279-Y308 HydrophobicContact CB-CE2 4.28Å; L281-Y308 HydrophobicContact CB-CD2 3.88Å; L281-Y308 HydrophobicContact CB-CG 4.38Å; A282-Y308 HydrophobicContact CB-CD2 4.08Å; A282-Y308 HydrophobicContact CB-CE1 4.32Å; A282-Y308 HydrophobicContact CB-CE2 3.61Å; L285-Y308 HydrophobicContact CD2-CD1 3.81Å; L285-Y308 HydrophobicContact CD2-CG 4.47Å; H306-Y308 VanDerWaalsContact ND1-CB 3.33Å; H306-Y308 WeakPolarHBondContact ND1-CB 3.44Å; H306-Y308 PolarHBondContact ND1-N 3.25Å; H306-Y308 VanDerWaalsContact ND1-N 3.2Å; H306-Y308 PolarHBondContact O-N 3.18Å
309F98.5Very high97.2Very high0 Ų059.5 Ų59.50%033%0.328CS..G310 helixtrans-110.916.1177.7-53.6-63.5000113.8Q129 I132 Y133 L136 L285 A303 H306 Q307 Q311 Y312 H313Q129-F309 HydrophobicContact CG-CD1 3.94Å; Q129-F309 HydrophobicContact CG-CE1 4.38Å; Q129-F309 WeakPolarHBondContact O-CE1 3.26Å; I132-F309 HydrophobicContact CB-CE1 4.1Å; I132-F309 HydrophobicContact CB-CZ 4.14Å; I132-F309 HydrophobicContact CG2-CE1 4.07Å; I132-F309 HydrophobicContact CG2-CZ 3.59Å; Y133-F309 HydrophobicContact CD2-CB 4.07Å; Y133-F309 HydrophobicContact CD2-CD1 4.42Å; Y133-F309 HydrophobicContact CD2-CG 4.23Å; L136-F309 HydrophobicContact CD1-CD2 4.39Å; L136-F309 HydrophobicContact CD1-CE2 3.44Å; L136-F309 VanDerWaalsContact CD1-CE2 3.44Å; L136-F309 HydrophobicContact CD1-CZ 3.65Å; L285-F309 HydrophobicContact CD2-CE2 3.42Å; L285-F309 VanDerWaalsContact CD2-CE2 3.42Å; L285-F309 HydrophobicContact CD2-CZ 3.39Å; A303-F309 WeakPolarHBondContact O-CD2 3.29Å; A303-F309 VanDerWaalsContact O-CE2 3.28Å; A303-F309 WeakPolarHBondContact O-CE2 3.33Å; H306-F309 HydrophobicContact CB-CD2 4.29Å; H306-F309 PolarHBondContact O-N 3.33Å; Q307-F309 PolarHBondContact O-N 3.21Å; F309-Q311 PolarHBondContact O-N 3.41Å; F309-Y312 PolarHBondContact O-N 3.32Å; F309-H313 WeakPolarHBondContact O-CB 3.47Å; F309-H313 PolarHBondContact O-N 3.12Å
310S96.3Very high97.1Very high88 Ų8863.1 Ų63.162%0.61534%0.341SS*.THydrogen-bonded Turntrans-54.1-20.2-175.350.50000116Q307Q307-S310 WeakPolarHBondContact O-CB 3.34Å; Q307-S310 PolarHBondContact O-N 3.04Å; Q307-S310 PolarHBondContact O-OG 3.49Å
311Q95.4Very high97Very high132 Ų13263.6 Ų63.662%0.61735%0.345SS*.THydrogen-bonded Turntrans-83.2-23.5176.4-60.4-17726.200113.8F309F309-Q311 PolarHBondContact O-N 3.41Å
312Y95.4Very high96.8Very high68 Ų6868 Ų6827%0.26736%0.36SS..THydrogen-bonded Turntrans-116-23.8-173.7-55-63.4000113.2Q129 F130 Y133 F309 D314Q129-Y312 HydrophobicContact CB-CE2 4.04Å; Q129-Y312 HydrophobicContact CG-CD2 3.97Å; Q129-Y312 HydrophobicContact CG-CE2 3.65Å; F130-Y312 HydrophobicContact CB-CE2 4.02Å; F130-Y312 AromaticContact CD2-CD1 3.92Å; F130-Y312 HydrophobicContact CD2-CD1 3.92Å; F130-Y312 AromaticContact CD2-CE1 3.75Å; F130-Y312 HydrophobicContact CD2-CE1 3.75Å; F130-Y312 HydrophobicContact CD2-CE2 4.35Å; F130-Y312 HydrophobicContact CD2-CG 4.32Å; F130-Y312 HydrophobicContact CE2-CD1 4.4Å; F130-Y312 HydrophobicContact CE2-CE1 4.41Å; F130-Y312 HydrophobicContact CG-CE1 4.43Å; Y133-Y312 HydrophobicContact CD1-CG 4.5Å; Y133-Y312 PolarHBondContact OH-O 3.11Å; F309-Y312 PolarHBondContact O-N 3.32Å; Y312-D314 PolarHBondContact O-N 3.27Å
313H95.9Very high96.4Very high62 Ų6267.9 Ų67.929%0.28737%0.369SS..  trans-61.5118.2-177178.250.8000111.2L304 F309 E318L304-H313 PolarHBondContact O-ND1 3.16Å; F309-H313 WeakPolarHBondContact O-CB 3.47Å; F309-H313 PolarHBondContact O-N 3.12Å; H313-E318 IonicContact CE1-OE1 3.41Å; H313-E318 IonicContact CE1-OE2 3.5Å; H313-E318 PolarHBondContact CE1-OE2 3.42Å; H313-E318 IonicContact CG-OE1 2.83Å; H313-E318 IonicContact ND1-OE1 3.73Å; H313-E318 PolarHBondContact ND1-OE1 3.22Å; H313-E318 IonicContact ND1-OE2 2.65Å; H313-E318 PolarHBondContact ND1-OE2 3.23Å
314D96Very high96.1Very high72 Ų7268.9 Ų68.939%0.38537%0.373SS..  trans-135.1102.4172.9-173.1-11.2000108.6Y312 D316 D317 E318Y312-D314 PolarHBondContact O-N 3.27Å; D314-D316 PolarHBondContact O-N 3.32Å; D314-D316 PolarHBondContact OD1-N 3.23Å; D314-D316 VanDerWaalsContact OD1-N 3.08Å; D314-D317 HydrophobicContact CB-CB 4.17Å; D314-D317 CarbonylContact O-C 3.5Å; D314-D317 PolarHBondContact O-N 2.67Å; D314-D317 VanDerWaalsContact O-N 3.09Å; D314-E318 VanDerWaalsContact O-CG 3.24Å; D314-E318 WeakPolarHBondContact O-CG 3.4Å; D314-E318 PolarHBondContact O-N 3.04Å
315P94.7Very high95.7Very high82 Ų8273.2 Ų73.253%0.53240%0.396SS..G310 helixtrans-57.5-28.6-179.7-23.931.7000114.5D317P315-D317 VanDerWaalsContact C-N 3.32Å
316D94.9Very high95.1Very high164 Ų16471.2 Ų71.288%0.87738%0.376SS*.G310 helixtrans-80.3-19.1-178.2-67.8-33.9000111.6D314D314-D316 PolarHBondContact O-N 3.32Å; D314-D316 PolarHBondContact OD1-N 3.23Å; D314-D316 VanDerWaalsContact OD1-N 3.08Å
317D95.4Very high94.7Very high79 Ų7974 Ų7442%0.42240%0.396SS..G310 helixtrans-110.228.5175.1-171.530.7000112.4R137 D314 P315 P319R137-D317 VanDerWaalsContact CZ-O 3.25Å; R137-D317 IonicContact CZ-OD1 2.86Å; R137-D317 PolarHBondContact NE-O 2.94Å; R137-D317 PolarHBondContact NH2-O 3.44Å; R137-D317 IonicContact NH2-OD1 3.72Å; R137-D317 PolarHBondContact NH2-OD1 3.38Å; R137-D317 IonicContact NH2-OD2 3.41Å; D314-D317 HydrophobicContact CB-CB 4.17Å; D314-D317 CarbonylContact O-C 3.5Å; D314-D317 PolarHBondContact O-N 2.67Å; D314-D317 VanDerWaalsContact O-N 3.09Å; P315-D317 VanDerWaalsContact C-N 3.32Å; D317-P319 VanDerWaalsContact C-CD 3.48Å; D317-P319 WeakPolarHBondContact O-CD 3.17Å
318E97.4Very high94.3Very high9 Ų967.6 Ų67.64%0.04237%0.367CS..  trans-121.372.2173.8-74.5169-173.400110Y133 R137 K140 L304 H313 D314Y133-E318 WeakPolarHBondContact CE2-OE1 3.5Å; Y133-E318 PolarHBondContact OH-OE1 3.08Å; R137-E318 HydrophobicContact CG-CG 4.27Å; K140-E318 HydrophobicContact CD-CB 4.25Å; K140-E318 WeakPolarHBondContact CE-O 3.36Å; K140-E318 PolarHBondContact NZ-O 3.37Å; K140-E318 IonicContact NZ-OE2 3.89Å; L304-E318 HydrophobicContact CD1-CG 4.36Å; H313-E318 IonicContact CE1-OE1 3.41Å; H313-E318 IonicContact CE1-OE2 3.5Å; H313-E318 PolarHBondContact CE1-OE2 3.42Å; H313-E318 IonicContact CG-OE1 2.83Å; H313-E318 IonicContact ND1-OE1 3.73Å; H313-E318 PolarHBondContact ND1-OE1 3.22Å; H313-E318 IonicContact ND1-OE2 2.65Å; H313-E318 PolarHBondContact ND1-OE2 3.23Å; D314-E318 VanDerWaalsContact O-CG 3.24Å; D314-E318 WeakPolarHBondContact O-CG 3.4Å; D314-E318 PolarHBondContact O-N 3.04Å
319P97.6Very high93.6Very high56 Ų5668.2 Ų68.236%0.36437%0.37SS..PPolyproline II helixtrans-71.9158.1-169.130-36.3000113.2D317D317-P319 VanDerWaalsContact C-CD 3.48Å; D317-P319 WeakPolarHBondContact O-CD 3.17Å
320E97.2Very high93Very high130 Ų13072.7 Ų72.761%0.60740%0.401SS*.PPolyproline II helixtrans-104151170.3-70.1-17817900109.9S144S144-E320 WeakPolarHBondContact OG-CA 3.33Å; S144-E320 WeakPolarHBondContact OG-CB 3.33Å
321A95.5Very high92.7Very high12 Ų1273.4 Ų73.410%0.09939%0.39CS..PPolyproline II helixtrans-76152.3176.100000112.8Y141 S144 A145Y141-A321 HydrophobicContact CD1-CB 3.93Å; Y141-A321 HydrophobicContact CD2-CB 3.96Å; Y141-A321 HydrophobicContact CE1-CB 3.58Å; Y141-A321 VanDerWaalsContact CE2-CA 3.44Å; Y141-A321 HydrophobicContact CE2-CB 3.65Å; Y141-A321 HydrophobicContact CG-CB 4.1Å; Y141-A321 VanDerWaalsContact CZ-CB 3.42Å; Y141-A321 VanDerWaalsContact O-CB 3.28Å; Y141-A321 WeakPolarHBondContact O-CB 3.43Å; S144-A321 PolarHBondContact OG-N 3.21Å; A145-A321 HydrophobicContact CB-CB 3.72Å
322E93.2Very high92.6Very high146 Ų14674.8 Ų74.868%0.68240%0.402SS*.PPolyproline II helixtrans-61.8153.1163.3-69-63.2147.600111.1H78 Y324H78-E322 PolarHBondContact CE1-O 3.43Å; H78-E322 VanDerWaalsContact CE1-O 3.26Å; H78-E322 PolarHBondContact NE2-O 3.19Å; E322-Y324 PolarHBondContact O-N 2.96Å
323P90.9Very high92.6Very high110 Ų11072.4 Ų72.471%0.71439%0.393SS*.PPolyproline II helixtrans-55.1132.3177.6-25.134000112.3H78H78-P323 PolarHBondContact CE1-O 3.07Å
324Y92.3Very high92.7Very high21 Ų2175.3 Ų75.38%0.08241%0.407CS..PPolyproline II helixtrans-100.9118.5178.1177.3-122.1000110.7R74 L75 H78 I147 E322 Q326 F328R74-Y324 HydrophobicContact CB-CE2 4.24Å; R74-Y324 VanDerWaalsContact CB-OH 3.23Å; R74-Y324 WeakPolarHBondContact CB-OH 3.43Å; L75-Y324 HydrophobicContact CD2-CD1 3.94Å; L75-Y324 HydrophobicContact CD2-CE1 3.41Å; L75-Y324 VanDerWaalsContact CD2-CE1 3.41Å; L75-Y324 HydrophobicContact CD2-CE2 4.29Å; L75-Y324 HydrophobicContact CG-CE1 4.21Å; H78-Y324 HydrophobicContact CB-CD2 3.86Å; H78-Y324 HydrophobicContact CB-CE2 4.17Å; H78-Y324 AromaticContact CG-CD2 3.57Å; H78-Y324 AromaticContact ND1-CD2 3.68Å; I147-Y324 HydrophobicContact CD1-CD1 3.53Å; I147-Y324 HydrophobicContact CD1-CE1 4.22Å; I147-Y324 HydrophobicContact CD1-CG 3.98Å; I147-Y324 HydrophobicContact CG1-CD1 3.75Å; I147-Y324 HydrophobicContact CG1-CE1 4.37Å; E322-Y324 PolarHBondContact O-N 2.96Å; Y324-Q326 HydrophobicContact CD1-CB 4.41Å; Y324-Q326 VanDerWaalsContact CD1-CD 3.44Å; Y324-Q326 HydrophobicContact CD1-CG 3.32Å; Y324-Q326 HydrophobicContact CE1-CB 4.24Å; Y324-Q326 HydrophobicContact CE1-CG 3.59Å; Y324-Q326 HydrophobicContact CG-CG 4.21Å; Y324-Q326 VanDerWaalsContact O-CG 3.24Å; Y324-Q326 WeakPolarHBondContact O-CG 3.4Å; Y324-Q326 PolarHBondContact O-N 2.97Å; Y324-Q326 VanDerWaalsContact O-N 3.16Å; Y324-F328 HydrophobicContact CE1-CE1 4.38Å; Y324-F328 AromaticContact CZ-CE1 3.95Å; Y324-F328 VanDerWaalsContact OH-CE1 3.27Å; Y324-F328 WeakPolarHBondContact OH-CE1 3.37Å; Y324-F328 WeakPolarHBondContact OH-CZ 3.11Å
325D90.2Very high92.8Very high91 Ų9174.1 Ų74.149%0.48740%0.4SS..  trans-74107.7175.4175.916.9000111R74 S327R74-D325 PolarHBondContact NH2-O 2.72Å; D325-S327 WeakPolarHBondContact OD1-CB 3.34Å; D325-S327 PolarHBondContact OD1-N 2.88Å; D325-S327 PolarHBondContact OD1-OG 3.34Å; D325-S327 PolarHBondContact OD2-OG 3.37Å
326Q85.3Confident92.9Very high21 Ų2175.9 Ų75.910%0.09840%0.402CS..  trans-106.513.1179-27.6-16114.800112.8A145 D146 I147 Y324 F328 E329A145-Q326 PolarHBondContact O-NE2 2.88Å; D146-Q326 PolarHBondContact O-NE2 2.87Å; I147-Q326 VanDerWaalsContact CG1-NE2 3.34Å; Y324-Q326 HydrophobicContact CD1-CB 4.41Å; Y324-Q326 VanDerWaalsContact CD1-CD 3.44Å; Y324-Q326 HydrophobicContact CD1-CG 3.32Å; Y324-Q326 HydrophobicContact CE1-CB 4.24Å; Y324-Q326 HydrophobicContact CE1-CG 3.59Å; Y324-Q326 HydrophobicContact CG-CG 4.21Å; Y324-Q326 VanDerWaalsContact O-CG 3.24Å; Y324-Q326 WeakPolarHBondContact O-CG 3.4Å; Y324-Q326 PolarHBondContact O-N 2.97Å; Y324-Q326 VanDerWaalsContact O-N 3.16Å; Q326-F328 PolarHBondContact O-N 2.93Å; Q326-E329 HydrophobicContact CB-CG 4.48Å; Q326-E329 WeakPolarHBondContact O-CB 3.13Å; Q326-E329 PolarHBondContact O-N 2.9Å
327S89.1Confident93.1Very high72 Ų7272.4 Ų72.450%0.50338%0.38SS..G310 helixtrans-56.1-19.7-177.859.90000113.7D325 E329 S330D325-S327 WeakPolarHBondContact OD1-CB 3.34Å; D325-S327 PolarHBondContact OD1-N 2.88Å; D325-S327 PolarHBondContact OD1-OG 3.34Å; D325-S327 PolarHBondContact OD2-OG 3.37Å; S327-E329 VanDerWaalsContact C-N 3.28Å; S327-E329 PolarHBondContact O-N 2.98Å; S327-S330 PolarHBondContact O-OG 3.32Å
328F89.6Confident93.2Very high4 Ų468.7 Ų68.72%0.01836%0.36CS..G310 helixtrans-68.6-21.1173.372.8-92.2000114Y70 R71 Y324 Q326 S330 R331 W338Y70-F328 AromaticContact CD1-CD2 3.77Å; Y70-F328 HydrophobicContact CD1-CD2 3.77Å; Y70-F328 HydrophobicContact CD1-CE2 4.01Å; Y70-F328 HydrophobicContact CD1-CG 4.14Å; Y70-F328 HydrophobicContact CE1-CB 4.02Å; Y70-F328 AromaticContact CE1-CD1 3.94Å; Y70-F328 HydrophobicContact CE1-CD1 3.94Å; Y70-F328 AromaticContact CE1-CD2 3.75Å; Y70-F328 HydrophobicContact CE1-CD2 3.75Å; Y70-F328 HydrophobicContact CE1-CE1 4.37Å; Y70-F328 HydrophobicContact CE1-CE2 4.21Å; Y70-F328 AromaticContact CE1-CG 3.61Å; Y70-F328 HydrophobicContact CE1-CG 3.61Å; Y70-F328 HydrophobicContact CE1-CZ 4.5Å; R71-F328 HydrophobicContact CB-CE2 4.02Å; R71-F328 HydrophobicContact CB-CZ 4.24Å; R71-F328 HydrophobicContact CG-CE2 4.3Å; R71-F328 HydrophobicContact CG-CZ 4.16Å; Y324-F328 HydrophobicContact CE1-CE1 4.38Å; Y324-F328 AromaticContact CZ-CE1 3.95Å; Y324-F328 VanDerWaalsContact OH-CE1 3.27Å; Y324-F328 WeakPolarHBondContact OH-CE1 3.37Å; Y324-F328 WeakPolarHBondContact OH-CZ 3.11Å; Q326-F328 PolarHBondContact O-N 2.93Å; F328-S330 VanDerWaalsContact C-N 3.27Å; F328-S330 PolarHBondContact O-N 3.37Å; F328-R331 WeakPolarHBondContact O-CB 3.3Å; F328-R331 PolarHBondContact O-N 3.22Å; F328-R331 VanDerWaalsContact O-N 3.13Å; F328-W338 HydrophobicContact CB-CH2 4.09Å; F328-W338 HydrophobicContact CB-CZ3 4.22Å; F328-W338 HydrophobicContact CD2-CH2 4.07Å; F328-W338 HydrophobicContact CD2-CZ3 4.1Å; F328-W338 WeakPolarHBondContact O-CH2 3.3Å
329E84.8Confident93.2Very high14 Ų1468.9 Ų68.97%0.06536%0.361CS..G310 helixtrans-65.8-29.5-179.3-78.1-74.3-161.700112.6K67 R71 Q326 S327 R331K67-E329 WeakPolarHBondContact CE-OE2 3.41Å; K67-E329 PolarHBondContact NZ-O 2.87Å; K67-E329 IonicContact NZ-OE2 3.62Å; K67-E329 PolarHBondContact NZ-OE2 3.35Å; R71-E329 WeakPolarHBondContact CD-OE1 3.11Å; R71-E329 IonicContact CZ-OE1 2.88Å; R71-E329 IonicContact NE-OE1 2.96Å; R71-E329 IonicContact NH1-OE1 2.66Å; R71-E329 PolarHBondContact NH1-OE1 2.98Å; R71-E329 IonicContact NH1-OE2 2.64Å; Q326-E329 HydrophobicContact CB-CG 4.48Å; Q326-E329 WeakPolarHBondContact O-CB 3.13Å; Q326-E329 PolarHBondContact O-N 2.9Å; S327-E329 VanDerWaalsContact C-N 3.28Å; S327-E329 PolarHBondContact O-N 2.98Å; E329-R331 VanDerWaalsContact C-N 3.33Å
330S85.9Confident93.2Very high93 Ų9368 Ų6865%0.6536%0.356SS*.G310 helixtrans-87-1.5175.761.60000113.9S327 F328S327-S330 PolarHBondContact O-OG 3.32Å; F328-S330 VanDerWaalsContact C-N 3.27Å; F328-S330 PolarHBondContact O-N 3.37Å
331R90.9Very high93.3Very high103 Ų10363.6 Ų63.639%0.38934%0.336SS..  trans-82130.3179.1-65.9177.558.8-175-5.5111.2F328 E329 L333 W338F328-R331 WeakPolarHBondContact O-CB 3.3Å; F328-R331 PolarHBondContact O-N 3.22Å; F328-R331 VanDerWaalsContact O-N 3.13Å; E329-R331 VanDerWaalsContact C-N 3.33Å; R331-L333 HydrophobicContact CB-CD1 4.34Å; R331-L333 HydrophobicContact CB-CD2 4.25Å; R331-L333 HydrophobicContact CB-CG 3.97Å; R331-L333 VanDerWaalsContact CZ-CD1 3.45Å; R331-W338 HydrophobicContact CB-CH2 4.37Å; R331-W338 HydrophobicContact CB-CZ2 4.49Å
332D92.8Very high93.4Very high162 Ų16263 Ų6387%0.86633%0.332SS*.  trans-94.7100.7166.8-69.1-39.4000109.1
333L96Very high93.6Very high17 Ų1758.1 Ų58.19%0.08931%0.307CS..  trans-121.8153.1180-48.8174.3000111.7R331 E337 W338 L341R331-L333 HydrophobicContact CB-CD1 4.34Å; R331-L333 HydrophobicContact CB-CD2 4.25Å; R331-L333 HydrophobicContact CB-CG 3.97Å; R331-L333 VanDerWaalsContact CZ-CD1 3.45Å; L333-E337 WeakPolarHBondContact CA-OE2 3.43Å; L333-E337 HydrophobicContact CB-CB 3.91Å; L333-E337 WeakPolarHBondContact CB-OE2 3.22Å; L333-E337 HydrophobicContact CD1-CB 4.35Å; L333-W338 HydrophobicContact CB-CD2 4.28Å; L333-W338 HydrophobicContact CB-CG 4.41Å; L333-W338 HydrophobicContact CB-CZ2 4.07Å; L333-W338 HydrophobicContact CD1-CD2 3.91Å; L333-W338 HydrophobicContact CD1-CE3 3.95Å; L333-W338 HydrophobicContact CD1-CH2 3.66Å; L333-W338 HydrophobicContact CD1-CZ2 3.64Å; L333-W338 HydrophobicContact CD1-CZ3 3.83Å; L333-W338 HydrophobicContact CG-CH2 4.3Å; L333-W338 HydrophobicContact CG-CZ2 3.85Å; L333-W338 PolarHBondContact O-NE1 2.94Å; L333-L341 HydrophobicContact CD1-CD1 3.66Å
334E97.5Very high93.9Very high124 Ų12457.1 Ų57.158%0.57930%0.296SS*.  trans-73.8165.6172.3-66.1-64165.700112E336 E337 W338E334-E336 VanDerWaalsContact C-N 3.33Å; E334-E336 PolarHBondContact O-N 3.21Å; E334-E337 PolarHBondContact N-OE2 2.97Å; E334-E337 PolarHBondContact O-N 2.98Å; E334-W338 PolarHBondContact O-N 3.13Å; E334-W338 VanDerWaalsContact O-N 3.16Å
335I97.4Very high94.2Very high46 Ų4657.6 Ų57.624%0.23630%0.299CS..Hα-helixtrans-57-45.1-177.3-62.5177.4000111.8F60 I63 A66 E337 W338 K339F60-I335 HydrophobicContact CB-CG2 4.07Å; F60-I335 WeakPolarHBondContact O-CG2 3.36Å; I63-I335 HydrophobicContact CB-CG1 4.48Å; I63-I335 HydrophobicContact CG1-CD1 4.37Å; I63-I335 HydrophobicContact CG1-CG1 3.66Å; A66-I335 HydrophobicContact CB-CG2 4.39Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.37Å; I335-W338 PolarHBondContact O-N 2.86Å; I335-K339 VanDerWaalsContact O-CB 3.3Å; I335-K339 WeakPolarHBondContact O-CB 3.43Å; I335-K339 PolarHBondContact O-N 3.37Å
336E97.3Very high94.5Very high120 Ų12053.8 Ų53.856%0.56128%0.279SS*.Hα-helixtrans-67.3-31-177.3-67.5-56.5138.100112.6E334 K339 S340E334-E336 VanDerWaalsContact C-N 3.33Å; E334-E336 PolarHBondContact O-N 3.21Å; E336-K339 PolarHBondContact O-N 2.95Å; E336-S340 WeakPolarHBondContact O-CB 3.41Å; E336-S340 PolarHBondContact O-N 3.17Å
337E98Very high94.9Very high90 Ų9057.4 Ų57.442%0.42130%0.302SS..Hα-helixtrans-70.2-45.7175.7-64.6178.4109.300110.9L333 E334 I335 K339 S340 L341L333-E337 WeakPolarHBondContact CA-OE2 3.43Å; L333-E337 HydrophobicContact CB-CB 3.91Å; L333-E337 WeakPolarHBondContact CB-OE2 3.22Å; L333-E337 HydrophobicContact CD1-CB 4.35Å; E334-E337 PolarHBondContact N-OE2 2.97Å; E334-E337 PolarHBondContact O-N 2.98Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.37Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.07Å; E337-S340 PolarHBondContact O-N 3.29Å; E337-L341 WeakPolarHBondContact O-CG 3.34Å; E337-L341 PolarHBondContact O-N 3.39Å
338W98Very high95.2Very high1 Ų157.3 Ų57.30%0.00430%0.301CS..Hα-helixtrans-61.1-39172.9-75.6120.3000112.5A66 K67 Y70 F328 R331 L333 E334 I335 L341 T342A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.21Å; K67-W338 HydrophobicContact CB-CD2 4.09Å; K67-W338 HydrophobicContact CB-CG 4.4Å; K67-W338 HydrophobicContact CB-CZ2 4.25Å; K67-W338 HydrophobicContact CD-CH2 4.39Å; K67-W338 HydrophobicContact CD-CZ2 3.78Å; K67-W338 HydrophobicContact CG-CD2 4.34Å; K67-W338 HydrophobicContact CG-CH2 4.12Å; K67-W338 HydrophobicContact CG-CZ2 3.77Å; Y70-W338 AromaticContact CD1-CE3 3.84Å; Y70-W338 HydrophobicContact CD1-CE3 3.84Å; Y70-W338 AromaticContact CD1-CZ3 3.52Å; Y70-W338 HydrophobicContact CD1-CZ3 3.52Å; Y70-W338 AromaticContact CE1-CZ3 3.93Å; Y70-W338 HydrophobicContact CE1-CZ3 3.93Å; Y70-W338 AromaticContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CE3 3.97Å; Y70-W338 HydrophobicContact CG-CZ3 4.14Å; F328-W338 HydrophobicContact CB-CH2 4.09Å; F328-W338 HydrophobicContact CB-CZ3 4.22Å; F328-W338 HydrophobicContact CD2-CH2 4.07Å; F328-W338 HydrophobicContact CD2-CZ3 4.1Å; F328-W338 WeakPolarHBondContact O-CH2 3.3Å; R331-W338 HydrophobicContact CB-CH2 4.37Å; R331-W338 HydrophobicContact CB-CZ2 4.49Å; L333-W338 HydrophobicContact CB-CD2 4.28Å; L333-W338 HydrophobicContact CB-CG 4.41Å; L333-W338 HydrophobicContact CB-CZ2 4.07Å; L333-W338 HydrophobicContact CD1-CD2 3.91Å; L333-W338 HydrophobicContact CD1-CE3 3.95Å; L333-W338 HydrophobicContact CD1-CH2 3.66Å; L333-W338 HydrophobicContact CD1-CZ2 3.64Å; L333-W338 HydrophobicContact CD1-CZ3 3.83Å; L333-W338 HydrophobicContact CG-CH2 4.3Å; L333-W338 HydrophobicContact CG-CZ2 3.85Å; L333-W338 PolarHBondContact O-NE1 2.94Å; E334-W338 PolarHBondContact O-N 3.13Å; E334-W338 VanDerWaalsContact O-N 3.16Å; I335-W338 PolarHBondContact O-N 2.86Å; W338-L341 HydrophobicContact CE3-CD1 3.9Å; W338-L341 HydrophobicContact CZ3-CD1 3.89Å; W338-L341 PolarHBondContact O-N 3.31Å; W338-T342 WeakPolarHBondContact O-CB 3.23Å; W338-T342 PolarHBondContact O-N 3Å; W338-T342 PolarHBondContact O-OG1 3.4Å
339K98.1Very high95.4Very high14 Ų1458.1 Ų58.16%0.06131%0.305CS..Hα-helixtrans-64-43.9177178.4177.1156.7175.80111.4F60 L97 F100 I335 E336 E337 T342 Y343F60-K339 HydrophobicContact CD1-CB 3.89Å; F60-K339 HydrophobicContact CD1-CG 4.14Å; F60-K339 HydrophobicContact CD2-CD 4.06Å; F60-K339 HydrophobicContact CD2-CG 4.13Å; F60-K339 HydrophobicContact CE1-CB 4.03Å; F60-K339 HydrophobicContact CE1-CG 4.11Å; F60-K339 HydrophobicContact CE2-CD 4.41Å; F60-K339 HydrophobicContact CE2-CG 4.09Å; F60-K339 HydrophobicContact CG-CB 4.27Å; F60-K339 HydrophobicContact CG-CD 4.19Å; F60-K339 HydrophobicContact CG-CG 4.17Å; F60-K339 HydrophobicContact CZ-CG 4.09Å; L97-K339 HydrophobicContact CD1-CG 4.18Å; L97-K339 VanDerWaalsContact O-CE 3.29Å; L97-K339 WeakPolarHBondContact O-CE 3.5Å; L97-K339 PolarHBondContact O-NZ 2.89Å; F100-K339 HydrophobicContact CD1-CD 4.42Å; F100-K339 HydrophobicContact CD1-CG 3.66Å; F100-K339 HydrophobicContact CE1-CG 4.17Å; F100-K339 WeakPolarHBondContact CE1-O 3.35Å; F100-K339 WeakPolarHBondContact O-CE 3.25Å; F100-K339 PolarHBondContact O-NZ 3.16Å; I335-K339 VanDerWaalsContact O-CB 3.3Å; I335-K339 WeakPolarHBondContact O-CB 3.43Å; I335-K339 PolarHBondContact O-N 3.37Å; E336-K339 PolarHBondContact O-N 2.95Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.07Å; K339-T342 PolarHBondContact O-N 3.28Å; K339-Y343 WeakPolarHBondContact O-CB 3.43Å; K339-Y343 PolarHBondContact O-N 3.42Å
340S98.1Very high95.7Very high38 Ų3865 Ų6527%0.26634%0.337SS..Hα-helixtrans-60.7-48.3174.1-168.10000111.7E336 E337 T342 Y343 D344E336-S340 WeakPolarHBondContact O-CB 3.41Å; E336-S340 PolarHBondContact O-N 3.17Å; E337-S340 PolarHBondContact O-N 3.29Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 2.84Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.94Å; S340-Y343 VanDerWaalsContact O-N 3.11Å; S340-D344 VanDerWaalsContact O-CG 3.32Å; S340-D344 PolarHBondContact O-N 2.96Å
341L98.1Very high95.8Very high37 Ų3762.9 Ų62.919%0.19432%0.321CS..Hα-helixtrans-59.8-40.8177.3-69.1174.3000111.9Y70 L333 E337 W338 D344 E345Y70-L341 HydrophobicContact CD2-CB 3.78Å; Y70-L341 HydrophobicContact CE2-CB 3.53Å; L333-L341 HydrophobicContact CD1-CD1 3.66Å; E337-L341 WeakPolarHBondContact O-CG 3.34Å; E337-L341 PolarHBondContact O-N 3.39Å; W338-L341 HydrophobicContact CE3-CD1 3.9Å; W338-L341 HydrophobicContact CZ3-CD1 3.89Å; W338-L341 PolarHBondContact O-N 3.31Å; L341-D344 PolarHBondContact O-N 3.22Å; L341-E345 WeakPolarHBondContact O-CG 3.48Å; L341-E345 PolarHBondContact O-N 3.01Å; L341-E345 VanDerWaalsContact O-N 3.12Å
342T98Very high95.5Very high0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-63.5-44.1175.4-55.20000111F60 T69 L73 F100 V103 W338 K339 S340 D344 E345 V346F60-T342 HydrophobicContact CE1-CG2 4.31Å; F60-T342 HydrophobicContact CZ-CG2 4.16Å; T69-T342 HydrophobicContact CG2-CG2 3.85Å; L73-T342 HydrophobicContact CD2-CG2 4.11Å; F100-T342 HydrophobicContact CE1-CG2 4.1Å; F100-T342 HydrophobicContact CZ-CG2 3.95Å; V103-T342 HydrophobicContact CG2-CG2 4.34Å; W338-T342 WeakPolarHBondContact O-CB 3.23Å; W338-T342 PolarHBondContact O-N 3Å; W338-T342 PolarHBondContact O-OG1 3.4Å; K339-T342 PolarHBondContact O-N 3.28Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 2.84Å; T342-D344 VanDerWaalsContact C-N 3.33Å; T342-D344 PolarHBondContact O-N 3.44Å; T342-E345 PolarHBondContact O-N 3.38Å; T342-V346 VanDerWaalsContact O-CG2 3.32Å; T342-V346 WeakPolarHBondContact O-CG2 3.09Å; T342-V346 PolarHBondContact O-N 3.24Å
343Y98Very high95Very high42 Ų4258 Ų5817%0.16531%0.312CS..Hα-helixtrans-59.7-44.4178.3-175.1-102.9000111.7T92 L97 F100 K339 S340 E345 V346 V347T92-Y343 HydrophobicContact CG2-CE2 4.46Å; L97-Y343 HydrophobicContact CB-CD1 4.35Å; L97-Y343 HydrophobicContact CB-CE1 4.47Å; L97-Y343 HydrophobicContact CD1-CD1 4.36Å; L97-Y343 HydrophobicContact CD1-CG 3.99Å; F100-Y343 HydrophobicContact CB-CD2 3.9Å; F100-Y343 HydrophobicContact CB-CE2 4.32Å; F100-Y343 AromaticContact CD1-CD2 3.83Å; F100-Y343 HydrophobicContact CD1-CD2 3.83Å; F100-Y343 HydrophobicContact CD1-CG 4.24Å; F100-Y343 AromaticContact CD2-CD2 3.81Å; F100-Y343 HydrophobicContact CD2-CD2 3.81Å; F100-Y343 HydrophobicContact CD2-CE2 4.42Å; F100-Y343 HydrophobicContact CE1-CD2 4.24Å; F100-Y343 HydrophobicContact CE2-CD2 4.22Å; F100-Y343 AromaticContact CG-CD2 3.59Å; F100-Y343 HydrophobicContact CG-CD2 3.59Å; F100-Y343 HydrophobicContact CG-CE2 4.36Å; F100-Y343 HydrophobicContact CG-CG 4.43Å; F100-Y343 HydrophobicContact CZ-CD2 4.41Å; K339-Y343 WeakPolarHBondContact O-CB 3.43Å; K339-Y343 PolarHBondContact O-N 3.42Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.94Å; S340-Y343 VanDerWaalsContact O-N 3.11Å; Y343-E345 VanDerWaalsContact C-N 3.33Å; Y343-E345 PolarHBondContact O-N 3.24Å; Y343-V346 WeakPolarHBondContact O-CB 3.4Å; Y343-V346 PolarHBondContact O-N 3.4Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; Y343-V347 HydrophobicContact CD1-CG2 4.13Å; Y343-V347 HydrophobicContact CE1-CG2 3.75Å; Y343-V347 HydrophobicContact CE2-CG2 4.19Å; Y343-V347 HydrophobicContact CG-CG2 4.5Å; Y343-V347 WeakPolarHBondContact O-CG2 3.32Å; Y343-V347 PolarHBondContact O-N 3.2Å
344D97.6Very high93.8Very high89 Ų8962 Ų6248%0.47633%0.333SS..Hα-helixtrans-62.2-40.5177.8-64.9-25.6000111.6S340 L341 T342 V346 V347 S348S340-D344 VanDerWaalsContact O-CG 3.32Å; S340-D344 PolarHBondContact O-N 2.96Å; L341-D344 PolarHBondContact O-N 3.22Å; T342-D344 VanDerWaalsContact C-N 3.33Å; T342-D344 PolarHBondContact O-N 3.44Å; D344-V346 VanDerWaalsContact C-N 3.33Å; D344-V346 PolarHBondContact O-N 2.94Å; D344-V347 PolarHBondContact O-N 3.14Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.39Å; D344-S348 PolarHBondContact O-N 3.38Å; D344-S348 PolarHBondContact O-OG 3.01Å
345E96.9Very high91.8Very high31 Ų3161.7 Ų61.715%0.14534%0.335CS..Hα-helixtrans-65.4-33.7175.4-70-67.7171.600113Y70 L73 R74 K77 L341 T342 Y343 S348Y70-E345 HydrophobicContact CD2-CG 4.24Å; Y70-E345 HydrophobicContact CE2-CG 3.53Å; L73-E345 HydrophobicContact CD2-CB 3.57Å; L73-E345 HydrophobicContact CG-CB 4.14Å; R74-E345 VanDerWaalsContact CD-CD 3.43Å; R74-E345 WeakPolarHBondContact CD-OE1 3.34Å; R74-E345 HydrophobicContact CG-CG 4.46Å; R74-E345 IonicContact CZ-OE1 3.54Å; R74-E345 IonicContact NE-OE1 3.9Å; R74-E345 IonicContact NH1-OE1 3.58Å; R74-E345 PolarHBondContact NH1-OE1 2.92Å; K77-E345 WeakPolarHBondContact CE-OE2 3.42Å; K77-E345 PolarHBondContact NZ-O 3.06Å; K77-E345 IonicContact NZ-OE2 2.82Å; K77-E345 PolarHBondContact NZ-OE2 3.19Å; L341-E345 WeakPolarHBondContact O-CG 3.48Å; L341-E345 PolarHBondContact O-N 3.01Å; L341-E345 VanDerWaalsContact O-N 3.12Å; T342-E345 PolarHBondContact O-N 3.38Å; Y343-E345 VanDerWaalsContact C-N 3.33Å; Y343-E345 PolarHBondContact O-N 3.24Å; E345-S348 WeakPolarHBondContact CA-OG 3.36Å; E345-S348 PolarHBondContact O-OG 3.5Å
346V96.9Very high89.1Confident12 Ų1267.1 Ų67.17%0.07336%0.364CS..Hα-helixtrans-69-49.4174.6172.90000110.5L73 V90 T92 F100 V103 T342 Y343 D344 S348 F349L73-V346 HydrophobicContact CD2-CG2 3.73Å; V90-V346 HydrophobicContact CG2-CB 4.38Å; V90-V346 HydrophobicContact CG2-CG1 4.19Å; V90-V346 HydrophobicContact CG2-CG2 3.77Å; T92-V346 HydrophobicContact CG2-CG1 4.19Å; F100-V346 HydrophobicContact CZ-CG2 4.26Å; V103-V346 HydrophobicContact CG1-CG2 4.5Å; T342-V346 VanDerWaalsContact O-CG2 3.32Å; T342-V346 WeakPolarHBondContact O-CG2 3.09Å; T342-V346 PolarHBondContact O-N 3.24Å; Y343-V346 WeakPolarHBondContact O-CB 3.4Å; Y343-V346 PolarHBondContact O-N 3.4Å; Y343-V346 VanDerWaalsContact O-N 3.16Å; D344-V346 VanDerWaalsContact C-N 3.33Å; D344-V346 PolarHBondContact O-N 2.94Å; V346-S348 VanDerWaalsContact C-N 3.35Å; V346-S348 PolarHBondContact O-N 3.38Å; V346-F349 WeakPolarHBondContact O-CB 3.41Å; V346-F349 PolarHBondContact O-N 3.21Å
347V94.2Very high86.3Confident97 Ų9769.6 Ų69.659%0.58838%0.376SS*.Hα-helixtrans-69.4-33.7-175.7174.90000112Y343 D344 F349Y343-V347 HydrophobicContact CD1-CG2 4.13Å; Y343-V347 HydrophobicContact CE1-CG2 3.75Å; Y343-V347 HydrophobicContact CE2-CG2 4.19Å; Y343-V347 HydrophobicContact CG-CG2 4.5Å; Y343-V347 WeakPolarHBondContact O-CG2 3.32Å; Y343-V347 PolarHBondContact O-N 3.2Å; D344-V347 PolarHBondContact O-N 3.14Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.07Å
348S94.1Very high83.6Confident69 Ų6971.7 Ų71.748%0.48339%0.387SS..THydrogen-bonded Turntrans-81.41.1178.461.60000114.2K77 D344 E345 V346 E350K77-S348 PolarHBondContact NZ-OG 2.84Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.39Å; D344-S348 PolarHBondContact O-N 3.38Å; D344-S348 PolarHBondContact O-OG 3.01Å; E345-S348 WeakPolarHBondContact CA-OG 3.36Å; E345-S348 PolarHBondContact O-OG 3.5Å; V346-S348 VanDerWaalsContact C-N 3.35Å; V346-S348 PolarHBondContact O-N 3.38Å; S348-E350 PolarHBondContact O-N 3.13Å
349F94.7Very high80.3Confident22 Ų2280.9 Ų80.910%0.09643%0.43CS..  trans-65.7128.8-176.3-177.9-103.6000112.4K77 L87 V90 V346 V347 P351K77-F349 HydrophobicContact CD-CD2 4.11Å; K77-F349 HydrophobicContact CG-CD2 3.94Å; K77-F349 HydrophobicContact CG-CE2 4.17Å; L87-F349 HydrophobicContact CB-CE2 4.17Å; L87-F349 HydrophobicContact CB-CZ 4.34Å; L87-F349 HydrophobicContact CD2-CD2 4.01Å; L87-F349 HydrophobicContact CD2-CE2 3.64Å; L87-F349 HydrophobicContact CD2-CZ 4.22Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.11Å; V90-F349 HydrophobicContact CG1-CB 3.44Å; V90-F349 VanDerWaalsContact CG1-CB 3.44Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.78Å; V90-F349 HydrophobicContact CG1-CE2 4.49Å; V90-F349 HydrophobicContact CG1-CG 3.37Å; V346-F349 WeakPolarHBondContact O-CB 3.41Å; V346-F349 PolarHBondContact O-N 3.21Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.07Å; F349-P351 HydrophobicContact CD1-CG 4.21Å; F349-P351 VanDerWaalsContact CE1-CA 3.49Å; F349-P351 HydrophobicContact CE1-CB 4.07Å; F349-P351 HydrophobicContact CE1-CG 3.89Å
350E91.4Very high77Confident159 Ų15988.8 Ų88.874%0.74349%0.488SS*.  trans-109.4115.4170.8-65.7-170.4167.600108.4S348S348-E350 PolarHBondContact O-N 3.13Å
351P88.1Confident76Confident48 Ų4891.4 Ų91.431%0.31250%0.499SS..PPolyproline II helixtrans-58.3148.2176.8-2433.2000111.5F349F349-P351 HydrophobicContact CD1-CG 4.21Å; F349-P351 VanDerWaalsContact CE1-CA 3.49Å; F349-P351 HydrophobicContact CE1-CB 4.07Å; F349-P351 HydrophobicContact CE1-CG 3.89Å
352P85.3Confident74.8Confident59 Ų5994.2 Ų94.238%0.38352%0.515SS..PPolyproline II helixtrans-58.1157.8170.526.6-33.6000110.7L88L88-P352 HydrophobicContact CD2-CG 4.15Å
353P81.7Confident73.5Confident104 Ų10499.4 Ų99.468%0.67554%0.543SS*.PPolyproline II helixtrans-50.5145.7167.2-19.931.6000109.9D355P353-D355 PolarHBondContact O-N 3.43Å; P353-D355 VanDerWaalsContact O-N 3.14Å
354L69.8Low72.1Confident100 Ų100102.8 Ų102.852%0.52457%0.566SS.*  trans-72.5106.7163.9-63.2173.8000105T47 D356T47-L354 HydrophobicContact CG2-CD2 3.25Å; L354-D356 PolarHBondContact O-N 3.47Å
355D56.1Low70.5Confident118 Ų118103.7 Ų103.763%0.63157%0.571SS**  trans-63.8117.9174.6-67.2-31.9000107.6P353 E357P353-D355 PolarHBondContact O-N 3.43Å; P353-D355 VanDerWaalsContact O-N 3.14Å; D355-E357 PolarHBondContact O-N 2.62Å; D355-E357 VanDerWaalsContact O-N 3.08Å
356D40.2Very low68.7Low160 Ų160108.5 Ų108.586%0.85660%0.6SS**G310 helixtrans-66.41.7172.7-78.2-34.9000111.8L354L354-D356 PolarHBondContact O-N 3.47Å
357E38.9Very low66.7Low171 Ų171115.4 Ų115.480%0.79964%0.637SS**G310 helixtrans-93.70.2-169.1-66.5-167.9164.500115.3D355D355-E357 PolarHBondContact O-N 2.62Å; D355-E357 VanDerWaalsContact O-N 3.08Å
358M40.9Very low64.6Low135 Ų135116.8 Ų116.867%0.66564%0.641SS**G310 helixtrans-94.57.2177.9-59.7-165.585.400114.5L49L49-M358 HydrophobicContact CD1-SD 4.48Å; L49-M358 HydrophobicContact CD2-SD 4.28Å
359E29.9Very low62.1Low193 Ų193120.8 Ų120.890%0.90265%0.654SS**  trans-103.669.5165.1-73.1-168169.500110.7
360S28.8Very low59.2Low181 Ų181129.8 Ų129.8100%1.26671%0.705SS**  trans-143.80160.870.30000112.7

Retrieved 360 of 360 residues in 578.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).