A0A077YYP2_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YYP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 501 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.6Very low35.9Very low243 Ų243133.3 Ų133.3100%1.19788%0.883SS**  098.60-74.7179171.900108.7
2S38.4Very low35.3Very low123 Ų123137.2 Ų137.286%0.8688%0.879SS**  trans166.1107.4151.2380000107.8
3N37.6Very low35.3Very low169 Ų169135.6 Ų135.690%0.90487%0.87SS**  trans-77.3140.4176.2-87-13.4000110.3
4S32.2Very low35.3Very low120 Ų120132 Ų13284%0.83986%0.858SS**  trans-70.3138.8163.242.40000111
5A40.3Very low36.5Very low104 Ų104136.9 Ų136.986%0.8686%0.861SS**  trans-134.1112.2163.700000108.8
6S36.6Very low38.5Very low123 Ų123138 Ų13886%0.8684%0.843SS**PPolyproline II helixtrans-81121.3172.453.60000110.1
7S38.3Very low41.1Very low119 Ų119138.9 Ų138.983%0.83284%0.842SS**PPolyproline II helixtrans-83116.8166.9520000110
8G33.6Very low43.8Very low80 Ų80133.2 Ų133.283%0.82580%0.803SS**PPolyproline II helixtrans-71130.9169.500000110.8
9A34.1Very low46.3Very low99 Ų99127.4 Ų127.482%0.81877%0.769SS**PPolyproline II helixtrans-83.2123.9172.300000109.7S11A9-S11 PolarHBondContact O-N 3.35Å
10D32.7Very low48.7Very low172 Ų172127.5 Ų127.592%0.9276%0.761SS**PPolyproline II helixtrans-61.4120.5167.2-89.6-34000109.7
11S31.1Very low50.8Low114 Ų114127.7 Ų127.780%0.79775%0.752SS**PPolyproline II helixtrans-81.9122.8175.449.80000110A9A9-S11 PolarHBondContact O-N 3.35Å
12Q28.6Very low53.4Low180 Ų180121 Ų12184%0.84172%0.716SS**PPolyproline II helixtrans-62.3138.1165.9-73.8179.3-13.600109.2A14Q12-A14 PolarHBondContact O-N 2.85Å
13P35Very low56.2Low117 Ų117121.6 Ų121.676%0.7671%0.705SS**PPolyproline II helixtrans-62124.117525-31.4000109.2K15P13-K15 PolarHBondContact O-N 2.97Å
14A35.8Very low59Low85 Ų85115.7 Ų115.770%0.70267%0.674SS**PPolyproline II helixtrans-50.6132.2175.900000110.1Q12 R16Q12-A14 PolarHBondContact O-N 2.85Å; A14-R16 PolarHBondContact O-N 2.74Å
15K53.3Low62.1Low206 Ų206110.6 Ų110.690%0.89664%0.636SS**  trans-52.2108.3172.1-86.4-176.3174.5-177.40108.3P13P13-K15 PolarHBondContact O-N 2.97Å
16R67.5Low64.8Low154 Ų154111 Ų11158%0.58162%0.62SS**  trans-73.2133.4179.4-67-178.1-177.6151.62.8108.9A14 W18 E49A14-R16 PolarHBondContact O-N 2.74Å; R16-W18 PolarHBondContact O-N 2.89Å; R16-E49 IonicContact CZ-OE2 3.44Å; R16-E49 IonicContact NE-OE2 2.86Å; R16-E49 IonicContact NH1-OE1 3.83Å; R16-E49 PolarHBondContact NH1-OE1 3.12Å; R16-E49 IonicContact NH1-OE2 2.72Å; R16-E49 PolarHBondContact NH1-OE2 2.79Å
17N82.9Confident67.6Low154 Ų154108 Ų10882%0.82459%0.594SS**  trans-85.599.6174.4-71.9-18.6000109
18W89.6Confident70.2Confident35 Ų35104.6 Ų104.613%0.13357%0.568CS.*  trans-73.8132.8172.8-67.985.7000110.2R16 Y25 F44 E49 C51 Y87 T88 V99R16-W18 PolarHBondContact O-N 2.89Å; W18-Y25 HydrophobicContact CE3-CE1 4.36Å; W18-F44 HydrophobicContact CE3-CB 4.15Å; W18-F44 AromaticContact CE3-CD1 3.79Å; W18-F44 HydrophobicContact CE3-CD1 3.79Å; W18-F44 HydrophobicContact CE3-CD2 4.39Å; W18-F44 HydrophobicContact CE3-CE1 4.3Å; W18-F44 AromaticContact CE3-CG 3.86Å; W18-F44 HydrophobicContact CE3-CG 3.86Å; W18-F44 HydrophobicContact CZ3-CB 3.62Å; W18-F44 AromaticContact CZ3-CD1 3.82Å; W18-F44 HydrophobicContact CZ3-CD1 3.82Å; W18-F44 AromaticContact CZ3-CG 3.81Å; W18-F44 HydrophobicContact CZ3-CG 3.81Å; W18-E49 HydrophobicContact CH2-CB 4.39Å; W18-E49 HydrophobicContact CH2-CG 4.04Å; W18-C51 HydrophobicContact CH2-CB 4.32Å; W18-C51 HydrophobicContact CZ3-CB 4.02Å; W18-Y87 AromaticContact CD2-CD2 3.76Å; W18-Y87 HydrophobicContact CD2-CD2 3.76Å; W18-Y87 AromaticContact CD2-CG 3.83Å; W18-Y87 HydrophobicContact CD2-CG 3.83Å; W18-Y87 AromaticContact CE2-CD1 3.93Å; W18-Y87 AromaticContact CE2-CD2 3.39Å; W18-Y87 AromaticContact CE2-CE2 3.83Å; W18-Y87 AromaticContact CE2-CG 3.43Å; W18-Y87 VanDerWaalsContact CE2-CG 3.43Å; W18-Y87 AromaticContact CE3-CD2 3.9Å; W18-Y87 HydrophobicContact CE3-CD2 3.9Å; W18-Y87 HydrophobicContact CE3-CG 4.4Å; W18-Y87 HydrophobicContact CG-CG 4.22Å; W18-Y87 AromaticContact CH2-CD2 3.42Å; W18-Y87 HydrophobicContact CH2-CD2 3.42Å; W18-Y87 VanDerWaalsContact CH2-CD2 3.42Å; W18-Y87 AromaticContact CH2-CE2 3.32Å; W18-Y87 HydrophobicContact CH2-CE2 3.32Å; W18-Y87 HydrophobicContact CH2-CG 4.32Å; W18-Y87 HydrophobicContact CZ2-CD1 4.15Å; W18-Y87 AromaticContact CZ2-CD2 3.24Å; W18-Y87 HydrophobicContact CZ2-CD2 3.24Å; W18-Y87 HydrophobicContact CZ2-CE1 4.11Å; W18-Y87 AromaticContact CZ2-CE2 3.18Å; W18-Y87 HydrophobicContact CZ2-CE2 3.18Å; W18-Y87 AromaticContact CZ2-CG 3.74Å; W18-Y87 HydrophobicContact CZ2-CG 3.74Å; W18-Y87 AromaticContact CZ2-CZ 3.64Å; W18-Y87 AromaticContact CZ3-CD2 3.73Å; W18-Y87 HydrophobicContact CZ3-CD2 3.73Å; W18-Y87 HydrophobicContact CZ3-CE2 4.06Å; W18-Y87 AromaticContact NE1-CD1 3.71Å; W18-Y87 AromaticContact NE1-CG 3.56Å; W18-T88 HydrophobicContact CB-CG2 3.73Å; W18-V99 HydrophobicContact CE3-CG1 4.13Å; W18-V99 HydrophobicContact CZ3-CG1 4.32Å
19S92.2Very high73Confident23 Ų23102.7 Ų102.716%0.16154%0.537CS..  trans-71.6154.5-175.4-169.20000112.6K21 D24 Y25 T88S19-K21 PolarHBondContact OG-N 3.21Å; S19-D24 WeakPolarHBondContact CB-OD2 3.29Å; S19-D24 PolarHBondContact OG-OD2 2.95Å; S19-Y25 PolarHBondContact N-OH 2.81Å; S19-Y25 WeakPolarHBondContact O-CE2 3.46Å; S19-Y25 PolarHBondContact O-OH 3.27Å; S19-T88 WeakPolarHBondContact O-CG2 3.43Å
20Q93.2Very high75.7Confident130 Ų130101.1 Ų101.161%0.60752%0.515SS*.  trans-107.623.6172.8-69.6178.8-18.400111.9T88 F90Q20-T88 WeakPolarHBondContact CG-OG1 3.45Å; Q20-T88 PolarHBondContact NE2-OG1 3.45Å; Q20-F90 HydrophobicContact CB-CB 3.96Å; Q20-F90 HydrophobicContact CB-CD1 4.23Å; Q20-F90 HydrophobicContact CB-CG 4.27Å; Q20-F90 HydrophobicContact CG-CB 4.33Å; Q20-F90 HydrophobicContact CG-CD1 4.38Å
21K93.6Very high78.2Confident131 Ų13196.8 Ų96.857%0.5749%0.49SS*.  trans-112129.5-178.7-62.8-179.2-178.3178.40110.1S19 E23 D24 Y25S19-K21 PolarHBondContact OG-N 3.21Å; K21-E23 PolarHBondContact O-N 3.38Å; K21-D24 PolarHBondContact O-N 3.03Å; K21-Y25 WeakPolarHBondContact O-CD2 3.42Å; K21-Y25 WeakPolarHBondContact O-CE2 3.33Å
22K95.3Very high80.5Confident103 Ų10392.9 Ų92.945%0.44847%0.468SS..G310 helixtrans-55.8-38.2179.6-174.7-162.6-175.21740111.7D24 Y25 F90 V92 W97K22-D24 PolarHBondContact O-N 2.87Å; K22-Y25 PolarHBondContact O-N 3.41Å; K22-Y25 VanDerWaalsContact O-N 3.1Å; K22-F90 HydrophobicContact CB-CE2 4.48Å; K22-V92 HydrophobicContact CB-CG1 4.4Å; K22-V92 HydrophobicContact CB-CG2 4.06Å; K22-V92 HydrophobicContact CD-CG1 3.61Å; K22-V92 HydrophobicContact CG-CG1 4.05Å; K22-V92 HydrophobicContact CG-CG2 4.26Å; K22-W97 HydrophobicContact CG-CH2 3.98Å; K22-W97 HydrophobicContact CG-CZ3 4.14Å
23E96Very high82.8Confident136 Ų13689.6 Ų89.664%0.63646%0.46SS*.G310 helixtrans-67.2-19.1-173.8-55.971.6-148.900112.9K21 Y25 L45K21-E23 PolarHBondContact O-N 3.38Å; E23-Y25 PolarHBondContact O-N 3.02Å; E23-L45 WeakPolarHBondContact O-CD1 3.37Å
24D96.7Very high84.5Confident44 Ų4486.2 Ų86.224%0.23545%0.447CS..G310 helixtrans-83.51.7177.2-67.2-32.8000112.7S19 K21 K22 F44 L45 P46S19-D24 WeakPolarHBondContact CB-OD2 3.29Å; S19-D24 PolarHBondContact OG-OD2 2.95Å; K21-D24 PolarHBondContact O-N 3.03Å; K22-D24 PolarHBondContact O-N 2.87Å; D24-F44 HydrophobicContact CB-CD2 4.29Å; D24-F44 HydrophobicContact CB-CE2 3.93Å; D24-F44 WeakPolarHBondContact O-CD2 3.26Å; D24-L45 PolarHBondContact O-N 3.34Å; D24-P46 HydrophobicContact CB-CG 4.07Å
25Y97Very high86.1Confident13 Ų1386 Ų865%0.05145%0.445CS..EExtended strand (participates in β ladder)trans-126.1120.9-178.7-62.1-86000111.7W18 S19 K21 K22 E23 V43 F44 I53 F90 V99W18-Y25 HydrophobicContact CE3-CE1 4.36Å; S19-Y25 PolarHBondContact N-OH 2.81Å; S19-Y25 WeakPolarHBondContact O-CE2 3.46Å; S19-Y25 PolarHBondContact O-OH 3.27Å; K21-Y25 WeakPolarHBondContact O-CD2 3.42Å; K21-Y25 WeakPolarHBondContact O-CE2 3.33Å; K22-Y25 PolarHBondContact O-N 3.41Å; K22-Y25 VanDerWaalsContact O-N 3.1Å; E23-Y25 PolarHBondContact O-N 3.02Å; Y25-V43 WeakPolarHBondContact CA-O 3.44Å; Y25-F44 HydrophobicContact CD1-CB 4.19Å; Y25-F44 AromaticContact CD1-CD2 3.98Å; Y25-F44 HydrophobicContact CD1-CD2 3.98Å; Y25-F44 HydrophobicContact CE1-CB 3.96Å; Y25-F44 AromaticContact CE1-CD2 3.45Å; Y25-F44 HydrophobicContact CE1-CD2 3.45Å; Y25-F44 VanDerWaalsContact CE1-CD2 3.45Å; Y25-F44 HydrophobicContact CE1-CE2 4.31Å; Y25-F44 HydrophobicContact CE1-CG 4.02Å; Y25-F44 HydrophobicContact CE2-CD2 4.21Å; Y25-F44 HydrophobicContact CE2-CE2 4.42Å; Y25-F44 AromaticContact CZ-CD2 3.57Å; Y25-F44 AromaticContact CZ-CE2 3.97Å; Y25-I53 HydrophobicContact CD1-CD1 3.73Å; Y25-I53 HydrophobicContact CG-CD1 3.85Å; Y25-F90 HydrophobicContact CD2-CE1 4.12Å; Y25-F90 AromaticContact CD2-CZ 3.63Å; Y25-F90 HydrophobicContact CD2-CZ 3.63Å; Y25-F90 AromaticContact CE2-CE1 3.54Å; Y25-F90 HydrophobicContact CE2-CE1 3.54Å; Y25-F90 AromaticContact CE2-CZ 3.55Å; Y25-F90 HydrophobicContact CE2-CZ 3.55Å; Y25-V99 HydrophobicContact CE1-CG1 3.76Å; Y25-V99 HydrophobicContact CE1-CG2 4Å
26E96.9Very high87Confident112 Ų11278.1 Ų78.152%0.52341%0.414SS..EExtended strand (participates in β ladder)trans-95.6114.6170.7-175.9-176.6165.600109.5A42 V43 L45E26-A42 CarbonylContact O-C 3.59Å; E26-A42 WeakPolarHBondContact O-CA 3.21Å; E26-A42 WeakPolarHBondContact O-CB 3.43Å; E26-V43 PolarHBondContact N-O 3.45Å; E26-V43 PolarHBondContact O-N 2.8Å; E26-L45 HydrophobicContact CB-CD2 3.9Å; E26-L45 HydrophobicContact CB-CG 4.35Å
27L95.8Very high87.7Confident60 Ų6071.3 Ų71.331%0.31439%0.39SS..EExtended strand (participates in β ladder)trans-71.5128.5173.3-61.3-175.7000109.9Y40 A42 I53 W97L27-Y40 HydrophobicContact CB-CD1 4.42Å; L27-Y40 HydrophobicContact CD1-CD1 4.34Å; L27-Y40 HydrophobicContact CD1-CG 4.4Å; L27-Y40 HydrophobicContact CD2-CG 4.34Å; L27-A42 HydrophobicContact CD2-CB 4.03Å; L27-I53 HydrophobicContact CD2-CB 4.44Å; L27-I53 HydrophobicContact CD2-CD1 3.96Å; L27-W97 HydrophobicContact CD1-CH2 3.82Å; L27-W97 HydrophobicContact CD1-CZ2 4.25Å; L27-W97 HydrophobicContact CD2-CH2 4.01Å; L27-W97 HydrophobicContact CD2-CZ3 4.07Å; L27-W97 HydrophobicContact CG-CH2 4.03Å; L27-W97 HydrophobicContact CG-CZ3 4.49Å
28V94.1Very high88Confident49 Ų4964.7 Ų64.730%0.29736%0.357SS..EExtended strand (participates in β ladder)trans-105.3-56.8-174.7179.80000112.1S41 V43V28-S41 PolarHBondContact N-O 2.79Å; V28-V43 HydrophobicContact CG2-CG2 3.92Å
29K91.1Very high88.1Confident40 Ų4065 Ų6517%0.17436%0.362CS..EExtended strand (participates in β ladder)trans-146.1137.2-174.5173.2177.4174.4176.80111M31 Y40 S41 Q324 A325 A328K29-M31 HydrophobicContact CD-SD 4.22Å; K29-M31 HydrophobicContact CG-SD 4.26Å; K29-M31 PolarHBondContact O-N 2.71Å; K29-Y40 CarbonylContact O-C 3.55Å; K29-Y40 VanDerWaalsContact O-CA 3.24Å; K29-Y40 WeakPolarHBondContact O-CA 3.4Å; K29-S41 WeakPolarHBondContact CB-OG 3.4Å; K29-S41 PolarHBondContact N-O 3.31Å; K29-S41 PolarHBondContact N-OG 2.92Å; K29-S41 PolarHBondContact O-N 3.47Å; K29-S41 PolarHBondContact O-OG 3.33Å; K29-Q324 PolarHBondContact NZ-O 2.97Å; K29-A325 HydrophobicContact CD-CB 4.15Å; K29-A328 HydrophobicContact CD-CB 4.13Å
30L90.9Very high88.1Confident65 Ų6566.3 Ų66.334%0.3436%0.364SS..EExtended strand (participates in β ladder)trans-69.6118.3167.5-179.466.2000109.4V33 Y40L30-V33 HydrophobicContact CD1-CG2 3.93Å; L30-V33 HydrophobicContact CD2-CG2 3.75Å; L30-V33 HydrophobicContact CG-CG2 4.19Å; L30-Y40 HydrophobicContact CB-CD1 4.14Å; L30-Y40 HydrophobicContact CB-CE1 3.83Å; L30-Y40 HydrophobicContact CD1-CD1 4.35Å; L30-Y40 HydrophobicContact CD1-CD2 4.09Å; L30-Y40 HydrophobicContact CD1-CE1 3.96Å; L30-Y40 HydrophobicContact CD1-CE2 3.67Å; L30-Y40 HydrophobicContact CD1-CG 4.41Å; L30-Y40 HydrophobicContact CG-CE1 4.46Å
31M85.9Confident88.2Confident81 Ų8160.9 Ų60.940%0.39934%0.34SS..EExtended strand (participates in β ladder)trans-94.8-30.8-178-62.1-63.3-66.800112.1K29 V39K29-M31 HydrophobicContact CD-SD 4.22Å; K29-M31 HydrophobicContact CG-SD 4.26Å; K29-M31 PolarHBondContact O-N 2.71Å; M31-V39 WeakPolarHBondContact CA-O 3.44Å; M31-V39 HydrophobicContact CB-CG1 4.31Å; M31-V39 WeakPolarHBondContact CB-O 3.3Å; M31-V39 PolarHBondContact N-O 3.33Å
32G78.4Confident88.3Confident33 Ų3354.7 Ų54.734%0.3431%0.314SS..EExtended strand (participates in β ladder)trans-172.5157.4178.300000113.1S38 V39G32-S38 CarbonylContact O-C 3.55Å; G32-S38 WeakPolarHBondContact O-CA 3.14Å; G32-V39 PolarHBondContact N-O 3.31Å; G32-V39 PolarHBondContact O-N 2.91Å
33V78.4Confident88.3Confident110 Ų11050.9 Ų50.967%0.66730%0.299SS*.EExtended strand (participates in β ladder)trans-127.9127.2176.8-177.10000108.3L30L30-V33 HydrophobicContact CD1-CG2 3.93Å; L30-V33 HydrophobicContact CD2-CG2 3.75Å; L30-V33 HydrophobicContact CG-CG2 4.19Å
34G70.9Confident88.4Confident47 Ų4745 Ų4549%0.48527%0.271SS..  trans-109.8-178.516900000111.3T36 A37G34-T36 VanDerWaalsContact C-N 3.31Å; G34-T36 PolarHBondContact O-N 3.04Å; G34-A37 WeakPolarHBondContact CA-O 3.31Å; G34-A37 PolarHBondContact N-O 3.13Å
35A68Low88.3Confident80 Ų8046.6 Ų46.666%0.66128%0.279SS*.SBendtrans-60.5-38.5-177.700000113.4
36T72.7Confident88.2Confident40 Ų4049.8 Ų49.825%0.24530%0.302CS..SBendtrans-113.3-11.5-174.355.80000113.9G34 N57 L179G34-T36 VanDerWaalsContact C-N 3.31Å; G34-T36 PolarHBondContact O-N 3.04Å; T36-N57 PolarHBondContact O-N 2.89Å; T36-L179 HydrophobicContact CG2-CD1 4.12Å; T36-L179 VanDerWaalsContact OG1-CD1 3.27Å; T36-L179 WeakPolarHBondContact OG1-CD1 3.41Å
37A82.9Confident87.9Confident11 Ų1147.8 Ų47.89%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-148.6153.9-170.600000112.9G34 K54 R55 I56G34-A37 WeakPolarHBondContact CA-O 3.31Å; G34-A37 PolarHBondContact N-O 3.13Å; A37-K54 HydrophobicContact CB-CG 4Å; A37-R55 CarbonylContact C-O 3.54Å; A37-R55 WeakPolarHBondContact CA-O 3.47Å; A37-R55 WeakPolarHBondContact CB-O 3.37Å; A37-I56 HydrophobicContact CB-CB 4.34Å; A37-I56 HydrophobicContact CB-CG1 3.88Å
38S88.7Confident87.7Confident16 Ų1650.9 Ų50.911%0.11232%0.316CS..EExtended strand (participates in β ladder)trans-118.9144.9170.153.30000110.1G32 Y40 K54 R55G32-S38 CarbonylContact O-C 3.55Å; G32-S38 WeakPolarHBondContact O-CA 3.14Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.44Å; S38-K54 CarbonylContact O-C 3.43Å; S38-K54 WeakPolarHBondContact O-CA 3.22Å; S38-R55 PolarHBondContact N-O 3.41Å; S38-R55 PolarHBondContact O-N 3.01Å
39V90.7Very high87.6Confident41 Ų4150.6 Ų50.625%0.24831%0.312CS..EExtended strand (participates in β ladder)trans-113.5125.2179.6-178.20000108.9M31 G32 I53 K54M31-V39 WeakPolarHBondContact CA-O 3.44Å; M31-V39 HydrophobicContact CB-CG1 4.31Å; M31-V39 WeakPolarHBondContact CB-O 3.3Å; M31-V39 PolarHBondContact N-O 3.33Å; G32-V39 PolarHBondContact N-O 3.31Å; G32-V39 PolarHBondContact O-N 2.91Å; V39-I53 WeakPolarHBondContact CA-O 3.28Å; V39-K54 HydrophobicContact CG2-CB 4.2Å; V39-K54 HydrophobicContact CG2-CD 4.35Å; V39-K54 HydrophobicContact CG2-CG 3.97Å
40Y93.9Very high87.7Confident51 Ų5152.5 Ų52.520%0.233%0.328CS..EExtended strand (participates in β ladder)trans-114.3144.3176.1-71.1-100.6000110.2L27 K29 L30 S38 A52 I53 R55L27-Y40 HydrophobicContact CB-CD1 4.42Å; L27-Y40 HydrophobicContact CD1-CD1 4.34Å; L27-Y40 HydrophobicContact CD1-CG 4.4Å; L27-Y40 HydrophobicContact CD2-CG 4.34Å; K29-Y40 CarbonylContact O-C 3.55Å; K29-Y40 VanDerWaalsContact O-CA 3.24Å; K29-Y40 WeakPolarHBondContact O-CA 3.4Å; L30-Y40 HydrophobicContact CB-CD1 4.14Å; L30-Y40 HydrophobicContact CB-CE1 3.83Å; L30-Y40 HydrophobicContact CD1-CD1 4.35Å; L30-Y40 HydrophobicContact CD1-CD2 4.09Å; L30-Y40 HydrophobicContact CD1-CE1 3.96Å; L30-Y40 HydrophobicContact CD1-CE2 3.67Å; L30-Y40 HydrophobicContact CD1-CG 4.41Å; L30-Y40 HydrophobicContact CG-CE1 4.46Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.44Å; Y40-A52 CarbonylContact O-C 3.48Å; Y40-A52 VanDerWaalsContact O-CA 3.29Å; Y40-A52 WeakPolarHBondContact O-CA 3.33Å; Y40-I53 PolarHBondContact N-O 3.24Å; Y40-I53 PolarHBondContact O-N 3.02Å; Y40-R55 HydrophobicContact CD2-CG 4.29Å; Y40-R55 PolarHBondContact OH-NH1 3.17Å
41S93.9Very high87.9Confident15 Ų1549.4 Ų49.411%0.10531%0.312CS..EExtended strand (participates in β ladder)trans-76142154.765.30000108.7V28 K29V28-S41 PolarHBondContact N-O 2.79Å; K29-S41 WeakPolarHBondContact CB-OG 3.4Å; K29-S41 PolarHBondContact N-O 3.31Å; K29-S41 PolarHBondContact N-OG 2.92Å; K29-S41 PolarHBondContact O-N 3.47Å; K29-S41 PolarHBondContact O-OG 3.33Å
42A96.1Very high88.2Confident2 Ų245.9 Ų45.92%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-144.2165.9-177.800000110.5E26 L27 C51 I53E26-A42 CarbonylContact O-C 3.59Å; E26-A42 WeakPolarHBondContact O-CA 3.21Å; E26-A42 WeakPolarHBondContact O-CB 3.43Å; L27-A42 HydrophobicContact CD2-CB 4.03Å; A42-C51 PolarHBondContact N-O 3.17Å; A42-C51 PolarHBondContact O-N 2.88Å; A42-C51 VanDerWaalsContact O-O 3.05Å; A42-I53 HydrophobicContact CB-CD1 3.56Å; A42-I53 HydrophobicContact CB-CG1 3.81Å
43V96.3Very high89Confident22 Ų2244.3 Ų44.313%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-117.4126.2171.2179.20000108.3Y25 E26 V28 L45 N48Y25-V43 WeakPolarHBondContact CA-O 3.44Å; E26-V43 PolarHBondContact N-O 3.45Å; E26-V43 PolarHBondContact O-N 2.8Å; V28-V43 HydrophobicContact CG2-CG2 3.92Å; V43-L45 PolarHBondContact O-N 2.99Å; V43-N48 WeakPolarHBondContact CG1-OD1 3.17Å
44F96.3Very high89.6Confident12 Ų1239.8 Ų39.85%0.05325%0.251CS..EExtended strand (participates in β ladder)trans-78.4105.4169.6178.8-126.6000108.6W18 D24 Y25 P46 C47 N48 E49W18-F44 HydrophobicContact CE3-CB 4.15Å; W18-F44 AromaticContact CE3-CD1 3.79Å; W18-F44 HydrophobicContact CE3-CD1 3.79Å; W18-F44 HydrophobicContact CE3-CD2 4.39Å; W18-F44 HydrophobicContact CE3-CE1 4.3Å; W18-F44 AromaticContact CE3-CG 3.86Å; W18-F44 HydrophobicContact CE3-CG 3.86Å; W18-F44 HydrophobicContact CZ3-CB 3.62Å; W18-F44 AromaticContact CZ3-CD1 3.82Å; W18-F44 HydrophobicContact CZ3-CD1 3.82Å; W18-F44 AromaticContact CZ3-CG 3.81Å; W18-F44 HydrophobicContact CZ3-CG 3.81Å; D24-F44 HydrophobicContact CB-CD2 4.29Å; D24-F44 HydrophobicContact CB-CE2 3.93Å; D24-F44 WeakPolarHBondContact O-CD2 3.26Å; Y25-F44 HydrophobicContact CD1-CB 4.19Å; Y25-F44 AromaticContact CD1-CD2 3.98Å; Y25-F44 HydrophobicContact CD1-CD2 3.98Å; Y25-F44 HydrophobicContact CE1-CB 3.96Å; Y25-F44 AromaticContact CE1-CD2 3.45Å; Y25-F44 HydrophobicContact CE1-CD2 3.45Å; Y25-F44 VanDerWaalsContact CE1-CD2 3.45Å; Y25-F44 HydrophobicContact CE1-CE2 4.31Å; Y25-F44 HydrophobicContact CE1-CG 4.02Å; Y25-F44 HydrophobicContact CE2-CD2 4.21Å; Y25-F44 HydrophobicContact CE2-CE2 4.42Å; Y25-F44 AromaticContact CZ-CD2 3.57Å; Y25-F44 AromaticContact CZ-CE2 3.97Å; F44-P46 VanDerWaalsContact C-CD 3.48Å; F44-P46 HydrophobicContact CD2-CG 4.16Å; F44-P46 HydrophobicContact CE1-CB 4Å; F44-P46 HydrophobicContact CE1-CG 4.12Å; F44-P46 HydrophobicContact CE2-CB 4.3Å; F44-P46 VanDerWaalsContact CE2-CD 3.41Å; F44-P46 HydrophobicContact CE2-CG 3.52Å; F44-P46 HydrophobicContact CZ-CB 3.8Å; F44-P46 HydrophobicContact CZ-CG 3.49Å; F44-P46 VanDerWaalsContact CZ-CG 3.49Å; F44-C47 WeakPolarHBondContact CD1-SG 3.43Å; F44-C47 PolarHBondContact O-N 3.08Å; F44-N48 VanDerWaalsContact O-CA 3.31Å; F44-N48 WeakPolarHBondContact O-CA 3.49Å; F44-N48 PolarHBondContact O-N 3Å; F44-E49 PolarHBondContact N-O 2.75Å; F44-E49 PolarHBondContact O-N 2.82Å; F44-E49 VanDerWaalsContact O-N 3.12Å
45L95.5Very high90.5Very high79 Ų7940 Ų4041%0.41424%0.237SC..G310 helixtrans-60.7-40.5-168.5-63.3177.5000114.3E23 D24 E26 V43 C47 N48E23-L45 WeakPolarHBondContact O-CD1 3.37Å; D24-L45 PolarHBondContact O-N 3.34Å; E26-L45 HydrophobicContact CB-CD2 3.9Å; E26-L45 HydrophobicContact CB-CG 4.35Å; V43-L45 PolarHBondContact O-N 2.99Å; L45-C47 PolarHBondContact O-N 2.98Å; L45-N48 PolarHBondContact O-N 3.28Å
46P94.3Very high91.5Very high80 Ų8036.2 Ų36.252%0.51921%0.206SC..G310 helixtrans-56.2-27.9-176.6-3139.2000115.3D24 F44D24-P46 HydrophobicContact CB-CG 4.07Å; F44-P46 VanDerWaalsContact C-CD 3.48Å; F44-P46 HydrophobicContact CD2-CG 4.16Å; F44-P46 HydrophobicContact CE1-CB 4Å; F44-P46 HydrophobicContact CE1-CG 4.12Å; F44-P46 HydrophobicContact CE2-CB 4.3Å; F44-P46 VanDerWaalsContact CE2-CD 3.41Å; F44-P46 HydrophobicContact CE2-CG 3.52Å; F44-P46 HydrophobicContact CZ-CB 3.8Å; F44-P46 HydrophobicContact CZ-CG 3.49Å; F44-P46 VanDerWaalsContact CZ-CG 3.49Å
47C91Very high92.1Very high69 Ų6935.7 Ų35.747%0.46620%0.201SC..G310 helixtrans-131.714.8175.564.30000114F44 L45 E49F44-C47 WeakPolarHBondContact CD1-SG 3.43Å; F44-C47 PolarHBondContact O-N 3.08Å; L45-C47 PolarHBondContact O-N 2.98Å; C47-E49 PolarHBondContact O-N 2.83Å
48N92.2Very high92Very high125 Ų12536.8 Ų36.867%0.66821%0.205SC*.THydrogen-bonded Turntrans50.441.2-178.9-165.141.6000113.2V43 F44 L45V43-N48 WeakPolarHBondContact CG1-OD1 3.17Å; F44-N48 VanDerWaalsContact O-CA 3.31Å; F44-N48 WeakPolarHBondContact O-CA 3.49Å; F44-N48 PolarHBondContact O-N 3Å; L45-N48 PolarHBondContact O-N 3.28Å
49E92.2Very high91.6Very high44 Ų4443.5 Ų43.521%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-99125.2-175.4-173.4159.7-17000111.3R16 W18 F44 C47R16-E49 IonicContact CZ-OE2 3.44Å; R16-E49 IonicContact NE-OE2 2.86Å; R16-E49 IonicContact NH1-OE1 3.83Å; R16-E49 PolarHBondContact NH1-OE1 3.12Å; R16-E49 IonicContact NH1-OE2 2.72Å; R16-E49 PolarHBondContact NH1-OE2 2.79Å; W18-E49 HydrophobicContact CH2-CB 4.39Å; W18-E49 HydrophobicContact CH2-CG 4.04Å; F44-E49 PolarHBondContact N-O 2.75Å; F44-E49 PolarHBondContact O-N 2.82Å; F44-E49 VanDerWaalsContact O-N 3.12Å; C47-E49 PolarHBondContact O-N 2.83Å
50P93.3Very high90.6Very high79 Ų7948.2 Ų48.251%0.51325%0.252SS..EExtended strand (participates in β ladder)trans-63.5135.7175-21.733000112.2L102P50-L102 HydrophobicContact CB-CD2 3.97Å
51C93.9Very high89.2Confident0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-141.7168.8176.260.70000111W18 A42 V99W18-C51 HydrophobicContact CH2-CB 4.32Å; W18-C51 HydrophobicContact CZ3-CB 4.02Å; A42-C51 PolarHBondContact N-O 3.17Å; A42-C51 PolarHBondContact O-N 2.88Å; A42-C51 VanDerWaalsContact O-O 3.05Å; C51-V99 HydrophobicContact CB-CG1 4.08Å
52A93.4Very high87.7Confident8 Ų850.8 Ų50.87%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-110141.516800000109Y40 V99 M100 L102Y40-A52 CarbonylContact O-C 3.48Å; Y40-A52 VanDerWaalsContact O-CA 3.29Å; Y40-A52 WeakPolarHBondContact O-CA 3.33Å; A52-V99 WeakPolarHBondContact O-CA 3.32Å; A52-M100 HydrophobicContact CB-CG 3.8Å; A52-M100 PolarHBondContact N-O 3.27Å; A52-M100 PolarHBondContact O-N 3.48Å; A52-L102 HydrophobicContact CB-CD1 4Å
53I93.8Very high86.1Confident0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-123.2115.3177.6-59.2-176.7000108.3Y25 L27 V39 Y40 A42 R55 W97 V98 V99Y25-I53 HydrophobicContact CD1-CD1 3.73Å; Y25-I53 HydrophobicContact CG-CD1 3.85Å; L27-I53 HydrophobicContact CD2-CB 4.44Å; L27-I53 HydrophobicContact CD2-CD1 3.96Å; V39-I53 WeakPolarHBondContact CA-O 3.28Å; Y40-I53 PolarHBondContact N-O 3.24Å; Y40-I53 PolarHBondContact O-N 3.02Å; A42-I53 HydrophobicContact CB-CD1 3.56Å; A42-I53 HydrophobicContact CB-CG1 3.81Å; I53-R55 HydrophobicContact CG2-CG 4.07Å; I53-W97 HydrophobicContact CD1-CE3 3.94Å; I53-W97 HydrophobicContact CD1-CZ3 3.98Å; I53-W97 HydrophobicContact CG2-CB 3.92Å; I53-W97 HydrophobicContact CG2-CD2 3.79Å; I53-W97 HydrophobicContact CG2-CE3 3.61Å; I53-W97 HydrophobicContact CG2-CG 3.97Å; I53-W97 HydrophobicContact CG2-CZ3 4.32Å; I53-V98 WeakPolarHBondContact CA-O 3.32Å; I53-V99 HydrophobicContact CG1-CG2 4.35Å
54K90.8Very high84.9Confident15 Ų1553.8 Ų53.87%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-90.6112.9170.4-172.7170.9-167173.50108.5A37 S38 V39 I56 W97 V98 M100 D172A37-K54 HydrophobicContact CB-CG 4Å; S38-K54 CarbonylContact O-C 3.43Å; S38-K54 WeakPolarHBondContact O-CA 3.22Å; V39-K54 HydrophobicContact CG2-CB 4.2Å; V39-K54 HydrophobicContact CG2-CD 4.35Å; V39-K54 HydrophobicContact CG2-CG 3.97Å; K54-I56 HydrophobicContact CG-CG1 4.17Å; K54-W97 WeakPolarHBondContact O-CA 3.23Å; K54-V98 HydrophobicContact CB-CB 4.38Å; K54-V98 PolarHBondContact N-O 3.34Å; K54-V98 PolarHBondContact O-N 3.47Å; K54-M100 HydrophobicContact CB-CE 3.62Å; K54-M100 HydrophobicContact CD-CE 4.46Å; K54-D172 IonicContact NZ-OD1 3.9Å; K54-D172 PolarHBondContact NZ-OD1 2.81Å; K54-D172 IonicContact NZ-OD2 3.48Å; K54-D172 PolarHBondContact NZ-OD2 3.33Å
55R91.6Very high83.7Confident52 Ų5256.6 Ų56.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-95.5106.2178.2-59.8174.254-161.3-2.9108.4A37 S38 Y40 I53 E95 W97A37-R55 CarbonylContact C-O 3.54Å; A37-R55 WeakPolarHBondContact CA-O 3.47Å; A37-R55 WeakPolarHBondContact CB-O 3.37Å; S38-R55 PolarHBondContact N-O 3.41Å; S38-R55 PolarHBondContact O-N 3.01Å; Y40-R55 HydrophobicContact CD2-CG 4.29Å; Y40-R55 PolarHBondContact OH-NH1 3.17Å; I53-R55 HydrophobicContact CG2-CG 4.07Å; R55-E95 IonicContact CZ-OE1 2.66Å; R55-E95 IonicContact CZ-OE2 3.49Å; R55-E95 IonicContact NE-OE1 3.44Å; R55-E95 PolarHBondContact NE-OE1 3.03Å; R55-E95 IonicContact NE-OE2 3.41Å; R55-E95 PolarHBondContact NE-OE2 2.9Å; R55-E95 IonicContact NH2-OE1 2.84Å; R55-E95 PolarHBondContact NH2-OE1 2.82Å; R55-E95 IonicContact NH2-OE2 3.49Å; R55-E95 PolarHBondContact NH2-OE2 3.03Å; R55-W97 HydrophobicContact CG-CD2 4.11Å; R55-W97 HydrophobicContact CG-CG 4.14Å; R55-W97 HydrophobicContact CG-CZ2 4.24Å
56I87.3Confident82.6Confident0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-97.6120.5-177.9-58.1159.5000107.6A37 K54 L58 C61 E95 L96 V98 V175A37-I56 HydrophobicContact CB-CB 4.34Å; A37-I56 HydrophobicContact CB-CG1 3.88Å; K54-I56 HydrophobicContact CG-CG1 4.17Å; I56-L58 PolarHBondContact O-N 3.47Å; I56-C61 WeakPolarHBondContact CG2-SG 3.44Å; I56-E95 CarbonylContact O-C 3.57Å; I56-E95 WeakPolarHBondContact O-CA 3.43Å; I56-L96 HydrophobicContact CB-CB 4.38Å; I56-L96 PolarHBondContact N-O 2.79Å; I56-L96 PolarHBondContact O-N 2.87Å; I56-V98 HydrophobicContact CD1-CG2 3.85Å; I56-V175 HydrophobicContact CD1-CB 4.4Å; I56-V175 HydrophobicContact CD1-CG1 3.62Å; I56-V175 HydrophobicContact CD1-CG2 3.93Å; I56-V175 HydrophobicContact CG1-CG1 4.3Å
57N85.3Confident81.3Confident28 Ų2857.9 Ų57.915%0.1530%0.3CS..EExtended strand (participates in β ladder)trans-75.2117.1176.7-177.9-70.1000109.5T36 E59 K60 C61 D94T36-N57 PolarHBondContact O-N 2.89Å; N57-E59 WeakPolarHBondContact OD1-CB 3.34Å; N57-E59 PolarHBondContact OD1-N 3.39Å; N57-K60 HydrophobicContact CB-CB 4.32Å; N57-K60 HydrophobicContact CB-CD 4.16Å; N57-K60 HydrophobicContact CB-CG 4.28Å; N57-K60 PolarHBondContact O-N 3.32Å; N57-K60 WeakPolarHBondContact OD1-CG 3.27Å; N57-K60 PolarHBondContact OD1-N 2.69Å; N57-C61 PolarHBondContact O-N 3.42Å; N57-C61 PolarHBondContact O-SG 3.13Å; N57-C61 VanDerWaalsContact O-SG 3.33Å; N57-D94 PolarHBondContact ND2-OD2 2.95Å
58L81.7Confident80.5Confident35 Ų3554.7 Ų54.718%0.18328%0.278CS..THydrogen-bonded Turntrans-73.1-28.2-173.9-65.2166000112.4I56 C61 M65 L68 V91 D94 L96I56-L58 PolarHBondContact O-N 3.47Å; L58-C61 CarbonylContact O-C 3.57Å; L58-C61 PolarHBondContact O-N 2.92Å; L58-M65 HydrophobicContact CD1-CE 3.41Å; L58-M65 VanDerWaalsContact CD1-CE 3.41Å; L58-M65 HydrophobicContact CD2-CE 3.85Å; L58-M65 HydrophobicContact CD2-SD 4.47Å; L58-M65 HydrophobicContact CG-CE 4.24Å; L58-L68 HydrophobicContact CD2-CD2 3.48Å; L58-L68 VanDerWaalsContact CD2-CD2 3.48Å; L58-V91 HydrophobicContact CD1-CG1 4.16Å; L58-D94 WeakPolarHBondContact CB-O 3.48Å; L58-D94 WeakPolarHBondContact CG-O 3.43Å; L58-D94 PolarHBondContact N-O 3.32Å; L58-L96 HydrophobicContact CD1-CB 4.44Å; L58-L96 HydrophobicContact CD2-CB 3.87Å; L58-L96 HydrophobicContact CG-CB 4.24Å
59E79.3Confident79.5Confident157 Ų15752.5 Ų52.573%0.73427%0.266SS*.THydrogen-bonded Turntrans-70.4-35.5177.6-57.6-170.7153.200111.9N57 C61 D94N57-E59 WeakPolarHBondContact OD1-CB 3.34Å; N57-E59 PolarHBondContact OD1-N 3.39Å; E59-C61 VanDerWaalsContact C-N 3.3Å; E59-D94 HydrophobicContact CG-CB 4.33Å
60K71.3Confident78.5Confident139 Ų13957.6 Ų57.660%0.60428%0.284SS*.THydrogen-bonded Turntrans-72.8-26.4172.5-66.2-178.3-176.4-177.10112N57 N62N57-K60 HydrophobicContact CB-CB 4.32Å; N57-K60 HydrophobicContact CB-CD 4.16Å; N57-K60 HydrophobicContact CB-CG 4.28Å; N57-K60 PolarHBondContact O-N 3.32Å; N57-K60 WeakPolarHBondContact OD1-CG 3.27Å; N57-K60 PolarHBondContact OD1-N 2.69Å; K60-N62 PolarHBondContact O-N 2.86Å
61C64.5Low77.4Confident5 Ų555.4 Ų55.43%0.03427%0.267CS..  trans-82.695.7175.3-71.30000109.5I56 N57 L58 E59 T63 L179I56-C61 WeakPolarHBondContact CG2-SG 3.44Å; N57-C61 PolarHBondContact O-N 3.42Å; N57-C61 PolarHBondContact O-SG 3.13Å; N57-C61 VanDerWaalsContact O-SG 3.33Å; L58-C61 CarbonylContact O-C 3.57Å; L58-C61 PolarHBondContact O-N 2.92Å; E59-C61 VanDerWaalsContact C-N 3.3Å; C61-T63 HydrophobicContact CB-CG2 4.08Å; C61-T63 PolarHBondContact O-N 2.84Å; C61-L179 HydrophobicContact CB-CD2 4.35Å
62N62.8Low76.5Confident115 Ų11555.9 Ų55.962%0.61527%0.269SS*.  trans-78.952.3-176.5-150.42.2000109.9K60 R191K60-N62 PolarHBondContact O-N 2.86Å; N62-R191 VanDerWaalsContact CB-CZ 3.43Å; N62-R191 PolarHBondContact ND2-NH2 3.15Å; N62-R191 VanDerWaalsContact O-CZ 3.31Å; N62-R191 PolarHBondContact O-NH1 2.87Å; N62-R191 PolarHBondContact O-NH2 2.55Å; N62-R191 PolarHBondContact OD1-NH2 3.2Å
63T62.4Low75.6Confident37 Ų3761.4 Ų61.423%0.22729%0.293CS..SBendtrans-136.6156.5-172.2-157.50000109.7C61 E67 L68 W178C61-T63 HydrophobicContact CB-CG2 4.08Å; C61-T63 PolarHBondContact O-N 2.84Å; T63-E67 PolarHBondContact OG1-OE2 3.02Å; T63-L68 HydrophobicContact CG2-CB 4.39Å; T63-W178 PolarHBondContact OG1-NE1 3.22Å
64S69.6Low74.4Confident51 Ų5162.8 Ų62.836%0.35731%0.305SS..  trans-73.3146.7174.970.40000111.7E66 E67 L68S64-E66 PolarHBondContact O-N 2.88Å; S64-E67 PolarHBondContact N-OE2 3.17Å; S64-E67 VanDerWaalsContact N-OE2 3.08Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 WeakPolarHBondContact OG-CB 3.44Å; S64-E67 WeakPolarHBondContact OG-CG 3.42Å; S64-E67 PolarHBondContact OG-N 3.43Å; S64-E67 PolarHBondContact OG-OE2 3.34Å; S64-L68 PolarHBondContact O-N 3.1Å
65M71.9Confident73.7Confident71 Ų7162.2 Ų62.235%0.3530%0.302SS..Hα-helixtrans-57.3-36.7173.5179.663.574.100111.8L58 E67 L68 L69 V91L58-M65 HydrophobicContact CD1-CE 3.41Å; L58-M65 VanDerWaalsContact CD1-CE 3.41Å; L58-M65 HydrophobicContact CD2-CE 3.85Å; L58-M65 HydrophobicContact CD2-SD 4.47Å; L58-M65 HydrophobicContact CG-CE 4.24Å; M65-E67 PolarHBondContact O-N 3.09Å; M65-L68 PolarHBondContact O-N 2.78Å; M65-L69 HydrophobicContact CG-CD1 3.86Å; M65-L69 HydrophobicContact CG-CG 4.2Å; M65-L69 WeakPolarHBondContact O-CB 3.22Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.12Å; M65-L69 PolarHBondContact O-N 3.34Å; M65-L69 HydrophobicContact SD-CD1 4.25Å; M65-L69 HydrophobicContact SD-CG 4.07Å; M65-V91 HydrophobicContact CE-CG2 3.88Å; M65-V91 HydrophobicContact SD-CG2 4.3Å
66E72.4Confident72.8Confident145 Ų14562.9 Ų62.968%0.67832%0.315SS*.Hα-helixtrans-62.3-41.7-179.4-66.5-178-178.200112.7S64 R70S64-E66 PolarHBondContact O-N 2.88Å; E66-R70 WeakPolarHBondContact O-CB 3.5Å; E66-R70 PolarHBondContact O-N 3.06Å; E66-R70 VanDerWaalsContact O-N 3.1Å
67E67.6Low72.2Confident40 Ų4069 Ų6919%0.18735%0.347CS..Hα-helixtrans-65.4-46.1175.9-75.1162.4158.800111.5T63 S64 M65 L69 R70 E71 W178T63-E67 PolarHBondContact OG1-OE2 3.02Å; S64-E67 PolarHBondContact N-OE2 3.17Å; S64-E67 VanDerWaalsContact N-OE2 3.08Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 WeakPolarHBondContact OG-CB 3.44Å; S64-E67 WeakPolarHBondContact OG-CG 3.42Å; S64-E67 PolarHBondContact OG-N 3.43Å; S64-E67 PolarHBondContact OG-OE2 3.34Å; M65-E67 PolarHBondContact O-N 3.09Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.43Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.27Å; E67-R70 VanDerWaalsContact O-N 3.17Å; E67-E71 PolarHBondContact O-N 3.3Å; E67-E71 VanDerWaalsContact O-N 3.09Å; E67-W178 HydrophobicContact CB-CH2 4.05Å; E67-W178 HydrophobicContact CB-CZ2 3.42Å; E67-W178 VanDerWaalsContact CB-CZ2 3.42Å; E67-W178 HydrophobicContact CG-CH2 3.97Å; E67-W178 HydrophobicContact CG-CZ2 3.52Å
68L73.2Confident71.8Confident2 Ų268.4 Ų68.41%0.0135%0.345CS..Hα-helixtrans-62.9-41.4-180-175.558.2000111.9L58 T63 S64 M65 R70 E71 I72 L96L58-L68 HydrophobicContact CD2-CD2 3.48Å; L58-L68 VanDerWaalsContact CD2-CD2 3.48Å; T63-L68 HydrophobicContact CG2-CB 4.39Å; S64-L68 PolarHBondContact O-N 3.1Å; M65-L68 PolarHBondContact O-N 2.78Å; L68-R70 VanDerWaalsContact C-N 3.34Å; L68-E71 PolarHBondContact O-N 2.81Å; L68-I72 HydrophobicContact CD1-CD1 4.37Å; L68-I72 HydrophobicContact CG-CD1 4.22Å; L68-I72 WeakPolarHBondContact O-CG1 3.07Å; L68-I72 PolarHBondContact O-N 3.43Å; L68-L96 HydrophobicContact CD1-CD2 4.26Å; L68-L96 HydrophobicContact CD2-CD2 3.28Å; L68-L96 HydrophobicContact CG-CD2 3.46Å; L68-L96 VanDerWaalsContact CG-CD2 3.46Å
69L72.2Confident71.9Confident80 Ų8072.4 Ų72.442%0.41937%0.367SS..Hα-helixtrans-64.7-36.8174.8-72.8174000112.3M65 E67 I72 Q73M65-L69 HydrophobicContact CG-CD1 3.86Å; M65-L69 HydrophobicContact CG-CG 4.2Å; M65-L69 WeakPolarHBondContact O-CB 3.22Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.12Å; M65-L69 PolarHBondContact O-N 3.34Å; M65-L69 HydrophobicContact SD-CD1 4.25Å; M65-L69 HydrophobicContact SD-CG 4.07Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.43Å; L69-I72 PolarHBondContact O-N 3.44Å; L69-Q73 WeakPolarHBondContact O-CB 3.41Å; L69-Q73 PolarHBondContact O-N 2.51Å
70R70.7Confident72.5Confident151 Ų15166.7 Ų66.757%0.5734%0.34SS*.Hα-helixtrans-64.2-42.6177.2-168-176.7-63.1143.63.2111.7E66 E67 L68 Q73 A74E66-R70 WeakPolarHBondContact O-CB 3.5Å; E66-R70 PolarHBondContact O-N 3.06Å; E66-R70 VanDerWaalsContact O-N 3.1Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.27Å; E67-R70 VanDerWaalsContact O-N 3.17Å; L68-R70 VanDerWaalsContact C-N 3.34Å; R70-Q73 WeakPolarHBondContact O-CB 3.22Å; R70-Q73 PolarHBondContact O-N 3.21Å; R70-A74 PolarHBondContact O-N 2.97Å
71E70.5Confident73.6Confident33 Ų3364.2 Ų64.215%0.15434%0.338CS..Hα-helixtrans-64.9-44.4176-72.8-62.5146.200111.8E67 L68 Q73 A74 M75 W178E67-E71 PolarHBondContact O-N 3.3Å; E67-E71 VanDerWaalsContact O-N 3.09Å; L68-E71 PolarHBondContact O-N 2.81Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.24Å; E71-A74 WeakPolarHBondContact O-CB 3.47Å; E71-A74 PolarHBondContact O-N 3.21Å; E71-A74 VanDerWaalsContact O-N 3.1Å; E71-M75 VanDerWaalsContact O-CG 3.28Å; E71-M75 WeakPolarHBondContact O-CG 3.35Å; E71-M75 PolarHBondContact O-N 3.21Å; E71-W178 VanDerWaalsContact CD-CE3 3.43Å; E71-W178 HydrophobicContact CG-CB 4.14Å; E71-W178 HydrophobicContact CG-CD2 3.77Å; E71-W178 HydrophobicContact CG-CE3 3.4Å; E71-W178 VanDerWaalsContact CG-CE3 3.4Å; E71-W178 HydrophobicContact CG-CG 4.09Å; E71-W178 HydrophobicContact CG-CZ3 4.04Å; E71-W178 VanDerWaalsContact OE1-CZ3 3.23Å; E71-W178 WeakPolarHBondContact OE1-CZ3 3.44Å
72I75.1Confident75Confident10 Ų1064.1 Ų64.15%0.05134%0.337CS..Hα-helixtrans-63.2-37.1175.9-71.4168.8000111.7L68 L69 A74 M75 S76 S89 L96 V98L68-I72 HydrophobicContact CD1-CD1 4.37Å; L68-I72 HydrophobicContact CG-CD1 4.22Å; L68-I72 WeakPolarHBondContact O-CG1 3.07Å; L68-I72 PolarHBondContact O-N 3.43Å; L69-I72 PolarHBondContact O-N 3.44Å; I72-A74 VanDerWaalsContact C-N 3.34Å; I72-M75 HydrophobicContact CG1-SD 4.18Å; I72-M75 WeakPolarHBondContact O-CB 3.31Å; I72-M75 PolarHBondContact O-N 3.48Å; I72-S76 PolarHBondContact O-N 2.86Å; I72-S89 VanDerWaalsContact CG2-OG 3.27Å; I72-S89 WeakPolarHBondContact CG2-OG 3.43Å; I72-L96 HydrophobicContact CD1-CD1 4.32Å; I72-L96 HydrophobicContact CD1-CD2 3.18Å; I72-L96 HydrophobicContact CD1-CG 3.94Å; I72-V98 HydrophobicContact CD1-CG2 3.95Å; I72-V98 HydrophobicContact CG1-CG2 4.43Å
73Q72.8Confident76.4Confident123 Ų12358.8 Ų58.858%0.57531%0.308SS*.Hα-helixtrans-62.1-43.7173.4-170.5179.93.800110.9L69 R70 E71 M75 S76 L77L69-Q73 WeakPolarHBondContact O-CB 3.41Å; L69-Q73 PolarHBondContact O-N 2.51Å; R70-Q73 WeakPolarHBondContact O-CB 3.22Å; R70-Q73 PolarHBondContact O-N 3.21Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.24Å; Q73-M75 VanDerWaalsContact C-N 3.31Å; Q73-M75 PolarHBondContact O-N 3.3Å; Q73-S76 PolarHBondContact O-N 2.93Å; Q73-S76 PolarHBondContact O-OG 2.84Å; Q73-L77 WeakPolarHBondContact O-CG 3.36Å; Q73-L77 PolarHBondContact O-N 2.85Å
74A70.4Confident77.7Confident29 Ų2957 Ų5724%0.2430%0.298CS..Hα-helixtrans-60.4-40.8174.200000111.9R70 E71 I72 S76 L77 C78R70-A74 PolarHBondContact O-N 2.97Å; E71-A74 WeakPolarHBondContact O-CB 3.47Å; E71-A74 PolarHBondContact O-N 3.21Å; E71-A74 VanDerWaalsContact O-N 3.1Å; I72-A74 VanDerWaalsContact C-N 3.34Å; A74-S76 PolarHBondContact O-N 3.1Å; A74-L77 PolarHBondContact O-N 3.44Å; A74-C78 PolarHBondContact O-N 3.22Å; A74-C78 PolarHBondContact O-SG 3.33Å; A74-C78 VanDerWaalsContact O-SG 3.34Å
75M74.3Confident78.4Confident3 Ų356.6 Ų56.62%0.01529%0.291CS..Hα-helixtrans-62.7-40.1174.8-65.9160.562.900112.4E71 I72 Q73 L77 C78 Y86 V98 F173 V175E71-M75 VanDerWaalsContact O-CG 3.28Å; E71-M75 WeakPolarHBondContact O-CG 3.35Å; E71-M75 PolarHBondContact O-N 3.21Å; I72-M75 HydrophobicContact CG1-SD 4.18Å; I72-M75 WeakPolarHBondContact O-CB 3.31Å; I72-M75 PolarHBondContact O-N 3.48Å; Q73-M75 VanDerWaalsContact C-N 3.31Å; Q73-M75 PolarHBondContact O-N 3.3Å; M75-L77 PolarHBondContact O-N 3.33Å; M75-C78 VanDerWaalsContact O-CB 3.3Å; M75-C78 WeakPolarHBondContact O-CB 3.36Å; M75-C78 PolarHBondContact O-N 2.91Å; M75-Y86 HydrophobicContact CB-CD2 3.71Å; M75-Y86 HydrophobicContact CB-CE2 3.99Å; M75-Y86 HydrophobicContact CB-CG 4.03Å; M75-Y86 HydrophobicContact CE-CD1 3.49Å; M75-Y86 VanDerWaalsContact CE-CD1 3.49Å; M75-Y86 HydrophobicContact CE-CD2 4.16Å; M75-Y86 HydrophobicContact CE-CE1 3.05Å; M75-Y86 HydrophobicContact CE-CE2 3.79Å; M75-Y86 HydrophobicContact CE-CG 4.01Å; M75-Y86 HydrophobicContact CG-CE2 4.33Å; M75-V98 HydrophobicContact CE-CG1 4.44Å; M75-F173 VanDerWaalsContact CE-O 3.26Å; M75-F173 WeakPolarHBondContact CE-O 3.48Å; M75-F173 HydrophobicContact CG-CD1 3.97Å; M75-F173 HydrophobicContact CG-CE1 4.43Å; M75-V175 HydrophobicContact CE-CG2 3.99Å; M75-V175 HydrophobicContact SD-CG2 3.81Å
76S74.4Confident79Confident66 Ų6654.2 Ų54.246%0.46228%0.279SS..Hα-helixtrans-65.7-22.2178.977.80000113.7I72 Q73 A74I72-S76 PolarHBondContact O-N 2.86Å; Q73-S76 PolarHBondContact O-N 2.93Å; Q73-S76 PolarHBondContact O-OG 2.84Å; A74-S76 PolarHBondContact O-N 3.1Å
77L73.7Confident79.8Confident128 Ų12850.2 Ų50.267%0.6726%0.258SS*.Hα-helixtrans-84.8-13.7175.9-63.8172000112.2Q73 A74 M75 N79Q73-L77 WeakPolarHBondContact O-CG 3.36Å; Q73-L77 PolarHBondContact O-N 2.85Å; A74-L77 PolarHBondContact O-N 3.44Å; M75-L77 PolarHBondContact O-N 3.33Å; L77-N79 PolarHBondContact O-N 3.03Å
78C76.7Confident80.8Confident16 Ų1649.4 Ų49.411%0.10826%0.255CS..  trans-75117.8179.1-66.70000110.3A74 M75 V83 Y144A74-C78 PolarHBondContact O-N 3.22Å; A74-C78 PolarHBondContact O-SG 3.33Å; A74-C78 VanDerWaalsContact O-SG 3.34Å; M75-C78 VanDerWaalsContact O-CB 3.3Å; M75-C78 WeakPolarHBondContact O-CB 3.36Å; M75-C78 PolarHBondContact O-N 2.91Å; C78-V83 HydrophobicContact CB-CG1 4.43Å; C78-Y144 WeakPolarHBondContact CA-OH 3.31Å; C78-Y144 HydrophobicContact CB-CE1 4.08Å
79N84.3Confident81.6Confident120 Ų12050.3 Ų50.364%0.64226%0.262SS*.  trans-136.998.7175.3-17527.7000110.2L77 N85 Y144L77-N79 PolarHBondContact O-N 3.03Å; N79-N85 PolarHBondContact OD1-ND2 2.72Å; N79-Y144 PolarHBondContact N-OH 3.47Å
80H92.1Very high82.5Confident37 Ų3747.3 Ų47.317%0.17125%0.246CC..  trans-147.2139.7179.7-175.9-94.3000109.7N82 V83 K140 Y144H80-N82 PolarHBondContact CE1-OD1 2.86Å; H80-N82 VanDerWaalsContact CE1-OD1 3.28Å; H80-N82 PolarHBondContact ND1-N 2.92Å; H80-N82 VanDerWaalsContact ND1-N 3.1Å; H80-N82 PolarHBondContact O-N 2.75Å; H80-N82 VanDerWaalsContact O-N 3.08Å; H80-V83 HydrophobicContact CB-CB 4.13Å; H80-V83 HydrophobicContact CB-CG2 3.97Å; H80-V83 PolarHBondContact O-N 3.11Å; H80-K140 PolarHBondContact CE1-O 3Å; H80-Y144 HydrophobicContact CB-CD1 3.73Å; H80-Y144 HydrophobicContact CB-CD2 3.87Å; H80-Y144 HydrophobicContact CB-CE1 3.96Å; H80-Y144 HydrophobicContact CB-CE2 4.1Å; H80-Y144 HydrophobicContact CB-CG 3.67Å; H80-Y144 AromaticContact CD2-CD2 3.74Å; H80-Y144 AromaticContact CD2-CG 3.81Å; H80-Y144 AromaticContact CG-CD2 3.98Å; H80-Y144 AromaticContact CG-CG 3.71Å
81P93.2Very high83.5Confident86 Ų8643.7 Ų43.756%0.55824%0.24SC*.THydrogen-bonded Turntrans-57.5-27.5-177.521.3-34.8000114.1Q169P81-Q169 WeakPolarHBondContact O-CG 3.24Å; P81-Q169 PolarHBondContact O-NE2 2.81Å
82N94.9Very high84.5Confident4 Ų443.2 Ų43.22%0.02124%0.24CC..THydrogen-bonded Turntrans-100.716.9178.1-52.7107.3000114.2H80 E137 K140 I168 Q169 V170H80-N82 PolarHBondContact CE1-OD1 2.86Å; H80-N82 VanDerWaalsContact CE1-OD1 3.28Å; H80-N82 PolarHBondContact ND1-N 2.92Å; H80-N82 VanDerWaalsContact ND1-N 3.1Å; H80-N82 PolarHBondContact O-N 2.75Å; H80-N82 VanDerWaalsContact O-N 3.08Å; N82-E137 WeakPolarHBondContact CB-O 3.45Å; N82-E137 WeakPolarHBondContact ND2-CB 3.43Å; N82-E137 PolarHBondContact ND2-OE2 3.31Å; N82-K140 WeakPolarHBondContact OD1-CB 3.41Å; N82-K140 WeakPolarHBondContact OD1-CD 3.44Å; N82-I168 WeakPolarHBondContact CA-O 3.19Å; N82-I168 PolarHBondContact ND2-O 2.76Å; N82-Q169 WeakPolarHBondContact O-CA 3.43Å; N82-V170 PolarHBondContact O-N 2.91Å
83V92.2Very high85.3Confident2 Ų246.3 Ų46.31%0.01227%0.274CS..BIsolated β-bridgetrans-124.9137.2173.3176.40000108.2C78 H80 N85 Y144 F145 Q169C78-V83 HydrophobicContact CB-CG1 4.43Å; H80-V83 HydrophobicContact CB-CB 4.13Å; H80-V83 HydrophobicContact CB-CG2 3.97Å; H80-V83 PolarHBondContact O-N 3.11Å; V83-N85 PolarHBondContact O-N 3.44Å; V83-Y144 HydrophobicContact CG2-CD1 3.97Å; V83-F145 HydrophobicContact CB-CZ 4.21Å; V83-F145 HydrophobicContact CG1-CE1 4.05Å; V83-F145 HydrophobicContact CG1-CE2 4.43Å; V83-F145 HydrophobicContact CG1-CZ 3.53Å; V83-F145 HydrophobicContact CG2-CE1 4.2Å; V83-F145 HydrophobicContact CG2-CE2 3.76Å; V83-F145 HydrophobicContact CG2-CZ 3.57Å; V83-Q169 PolarHBondContact O-NE2 3.11Å
84V89.4Confident86Confident1 Ų143.6 Ų43.61%0.00626%0.263CS..PPolyproline II helixtrans-62.5128179.7174.70000110.3Y86 M100 L103 L161 Q169 V170 A171V84-Y86 WeakPolarHBondContact O-CD2 3.35Å; V84-Y86 VanDerWaalsContact O-CE2 3.31Å; V84-Y86 WeakPolarHBondContact O-CE2 3.38Å; V84-Y86 PolarHBondContact O-N 3.02Å; V84-M100 HydrophobicContact CG1-CB 4.14Å; V84-M100 HydrophobicContact CG1-CG 4.34Å; V84-M100 HydrophobicContact CG1-SD 4.3Å; V84-L103 HydrophobicContact CG2-CD1 3.82Å; V84-L161 HydrophobicContact CG2-CD1 4.19Å; V84-Q169 HydrophobicContact CG2-CB 3.8Å; V84-V170 PolarHBondContact N-O 2.78Å; V84-A171 HydrophobicContact CG2-CB 3.7Å
85N83.7Confident87Confident41 Ų4143.5 Ų43.522%0.21926%0.258CS..PPolyproline II helixtrans-73.5122.8178.9-64.872.2000110.7N79 V83 Y87 M100 K101N79-N85 PolarHBondContact OD1-ND2 2.72Å; V83-N85 PolarHBondContact O-N 3.44Å; N85-Y87 HydrophobicContact CB-CD1 4.45Å; N85-Y87 HydrophobicContact CB-CE1 3.94Å; N85-M100 WeakPolarHBondContact O-CA 3.33Å; N85-M100 WeakPolarHBondContact O-CB 3.35Å; N85-K101 HydrophobicContact CB-CB 4.34Å; N85-K101 PolarHBondContact O-N 2.69Å
86Y86.1Confident87.7Confident22 Ų2243.4 Ų43.49%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-90.5129.7169.4-60.9-80.4000109.4M75 V84 V98 M100 F173M75-Y86 HydrophobicContact CB-CD2 3.71Å; M75-Y86 HydrophobicContact CB-CE2 3.99Å; M75-Y86 HydrophobicContact CB-CG 4.03Å; M75-Y86 HydrophobicContact CE-CD1 3.49Å; M75-Y86 VanDerWaalsContact CE-CD1 3.49Å; M75-Y86 HydrophobicContact CE-CD2 4.16Å; M75-Y86 HydrophobicContact CE-CE1 3.05Å; M75-Y86 HydrophobicContact CE-CE2 3.79Å; M75-Y86 HydrophobicContact CE-CG 4.01Å; M75-Y86 HydrophobicContact CG-CE2 4.33Å; V84-Y86 WeakPolarHBondContact O-CD2 3.35Å; V84-Y86 VanDerWaalsContact O-CE2 3.31Å; V84-Y86 WeakPolarHBondContact O-CE2 3.38Å; V84-Y86 PolarHBondContact O-N 3.02Å; Y86-V98 HydrophobicContact CD1-CG1 3.75Å; Y86-V98 HydrophobicContact CE1-CG1 4.22Å; Y86-M100 HydrophobicContact CD1-CB 4.09Å; Y86-M100 HydrophobicContact CD1-CE 4.31Å; Y86-M100 HydrophobicContact CE1-CB 4.45Å; Y86-M100 HydrophobicContact CE1-CE 3.95Å; Y86-M100 HydrophobicContact CE1-SD 4.25Å; Y86-F173 PolarHBondContact OH-N 3.28Å; Y86-F173 PolarHBondContact OH-O 3.08Å
87Y87.9Confident88.5Confident61 Ų6140.5 Ų40.524%0.23924%0.236CC..EExtended strand (participates in β ladder)trans-97.6-50.9-174.5-63.7-31.1000112.1W18 N85 V99 K101W18-Y87 AromaticContact CD2-CD2 3.76Å; W18-Y87 HydrophobicContact CD2-CD2 3.76Å; W18-Y87 AromaticContact CD2-CG 3.83Å; W18-Y87 HydrophobicContact CD2-CG 3.83Å; W18-Y87 AromaticContact CE2-CD1 3.93Å; W18-Y87 AromaticContact CE2-CD2 3.39Å; W18-Y87 AromaticContact CE2-CE2 3.83Å; W18-Y87 AromaticContact CE2-CG 3.43Å; W18-Y87 VanDerWaalsContact CE2-CG 3.43Å; W18-Y87 AromaticContact CE3-CD2 3.9Å; W18-Y87 HydrophobicContact CE3-CD2 3.9Å; W18-Y87 HydrophobicContact CE3-CG 4.4Å; W18-Y87 HydrophobicContact CG-CG 4.22Å; W18-Y87 AromaticContact CH2-CD2 3.42Å; W18-Y87 HydrophobicContact CH2-CD2 3.42Å; W18-Y87 VanDerWaalsContact CH2-CD2 3.42Å; W18-Y87 AromaticContact CH2-CE2 3.32Å; W18-Y87 HydrophobicContact CH2-CE2 3.32Å; W18-Y87 HydrophobicContact CH2-CG 4.32Å; W18-Y87 HydrophobicContact CZ2-CD1 4.15Å; W18-Y87 AromaticContact CZ2-CD2 3.24Å; W18-Y87 HydrophobicContact CZ2-CD2 3.24Å; W18-Y87 HydrophobicContact CZ2-CE1 4.11Å; W18-Y87 AromaticContact CZ2-CE2 3.18Å; W18-Y87 HydrophobicContact CZ2-CE2 3.18Å; W18-Y87 AromaticContact CZ2-CG 3.74Å; W18-Y87 HydrophobicContact CZ2-CG 3.74Å; W18-Y87 AromaticContact CZ2-CZ 3.64Å; W18-Y87 AromaticContact CZ3-CD2 3.73Å; W18-Y87 HydrophobicContact CZ3-CD2 3.73Å; W18-Y87 HydrophobicContact CZ3-CE2 4.06Å; W18-Y87 AromaticContact NE1-CD1 3.71Å; W18-Y87 AromaticContact NE1-CG 3.56Å; N85-Y87 HydrophobicContact CB-CD1 4.45Å; N85-Y87 HydrophobicContact CB-CE1 3.94Å; Y87-V99 HydrophobicContact CD2-CG1 4.16Å; Y87-V99 PolarHBondContact N-O 2.77Å; Y87-K101 HydrophobicContact CE1-CB 4.46Å; Y87-K101 HydrophobicContact CE2-CB 4.26Å; Y87-K101 WeakPolarHBondContact OH-CB 3.23Å
88T89.8Confident89.3Confident22 Ų2234.5 Ų34.514%0.13521%0.205CC..EExtended strand (participates in β ladder)trans-164.7173.8179.7-168.90000110W18 S19 Q20 F90 V99W18-T88 HydrophobicContact CB-CG2 3.73Å; S19-T88 WeakPolarHBondContact O-CG2 3.43Å; Q20-T88 WeakPolarHBondContact CG-OG1 3.45Å; Q20-T88 PolarHBondContact NE2-OG1 3.45Å; T88-F90 HydrophobicContact CG2-CD1 4.4Å; T88-F90 HydrophobicContact CG2-CE1 4.44Å; T88-V99 HydrophobicContact CG2-CB 3.87Å; T88-V99 HydrophobicContact CG2-CG2 3.77Å; T88-V99 PolarHBondContact N-O 2.78Å; T88-V99 PolarHBondContact O-N 3.49Å
89S89.3Confident90Very high21 Ų2133.8 Ų33.815%0.14720%0.2CC..EExtended strand (participates in β ladder)trans-147150173.162.10000110.8I72 W97I72-S89 VanDerWaalsContact CG2-OG 3.27Å; I72-S89 WeakPolarHBondContact CG2-OG 3.43Å; S89-W97 CarbonylContact C-O 3.45Å; S89-W97 WeakPolarHBondContact CA-O 3.47Å; S89-W97 WeakPolarHBondContact CB-O 3.3Å
90F91Very high90.4Very high17 Ų1728.7 Ų28.78%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-159.7156.3176.153.1-86.6000111.2Q20 K22 Y25 T88 V92 W97 V99Q20-F90 HydrophobicContact CB-CB 3.96Å; Q20-F90 HydrophobicContact CB-CD1 4.23Å; Q20-F90 HydrophobicContact CB-CG 4.27Å; Q20-F90 HydrophobicContact CG-CB 4.33Å; Q20-F90 HydrophobicContact CG-CD1 4.38Å; K22-F90 HydrophobicContact CB-CE2 4.48Å; Y25-F90 HydrophobicContact CD2-CE1 4.12Å; Y25-F90 AromaticContact CD2-CZ 3.63Å; Y25-F90 HydrophobicContact CD2-CZ 3.63Å; Y25-F90 AromaticContact CE2-CE1 3.54Å; Y25-F90 HydrophobicContact CE2-CE1 3.54Å; Y25-F90 AromaticContact CE2-CZ 3.55Å; Y25-F90 HydrophobicContact CE2-CZ 3.55Å; T88-F90 HydrophobicContact CG2-CD1 4.4Å; T88-F90 HydrophobicContact CG2-CE1 4.44Å; F90-V92 HydrophobicContact CD2-CG2 3.57Å; F90-V92 HydrophobicContact CE2-CG2 3.49Å; F90-V92 VanDerWaalsContact CE2-CG2 3.49Å; F90-W97 HydrophobicContact CD2-CB 4.4Å; F90-W97 HydrophobicContact CE2-CB 4.15Å; F90-W97 HydrophobicContact CE2-CD2 4.3Å; F90-W97 AromaticContact CE2-CE3 3.9Å; F90-W97 HydrophobicContact CE2-CE3 3.9Å; F90-W97 HydrophobicContact CE2-CG 4.43Å; F90-W97 HydrophobicContact CZ-CB 4.27Å; F90-W97 AromaticContact CZ-CE3 3.87Å; F90-W97 HydrophobicContact CZ-CE3 3.87Å; F90-W97 PolarHBondContact N-O 3.33Å; F90-W97 WeakPolarHBondContact O-CB 3.43Å; F90-W97 PolarHBondContact O-N 2.91Å; F90-V99 HydrophobicContact CD1-CG2 4.47Å; F90-V99 HydrophobicContact CE1-CG2 3.66Å; F90-V99 HydrophobicContact CZ-CG2 4.39Å
91V91.1Very high90.3Very high75 Ų7530.4 Ų30.446%0.45518%0.179SC..EExtended strand (participates in β ladder)trans-89.1135-179.6178.60000109.8L58 M65 E95 L96L58-V91 HydrophobicContact CD1-CG1 4.16Å; M65-V91 HydrophobicContact CE-CG2 3.88Å; M65-V91 HydrophobicContact SD-CG2 4.3Å; V91-E95 CarbonylContact C-O 3.5Å; V91-E95 WeakPolarHBondContact CA-O 3.24Å; V91-L96 HydrophobicContact CG2-CD1 4.04Å
92V92.7Very high90.1Very high24 Ų2428.5 Ų28.515%0.14516%0.164CC..EExtended strand (participates in β ladder)trans-130.9104.8174.4-178.90000107.8K22 F90 D94 E95 W97K22-V92 HydrophobicContact CB-CG1 4.4Å; K22-V92 HydrophobicContact CB-CG2 4.06Å; K22-V92 HydrophobicContact CD-CG1 3.61Å; K22-V92 HydrophobicContact CG-CG1 4.05Å; K22-V92 HydrophobicContact CG-CG2 4.26Å; F90-V92 HydrophobicContact CD2-CG2 3.57Å; F90-V92 HydrophobicContact CE2-CG2 3.49Å; F90-V92 VanDerWaalsContact CE2-CG2 3.49Å; V92-D94 PolarHBondContact O-N 2.72Å; V92-E95 PolarHBondContact N-O 2.6Å; V92-E95 PolarHBondContact O-N 2.81Å; V92-E95 VanDerWaalsContact O-N 3.11Å; V92-W97 HydrophobicContact CB-CD2 4.39Å; V92-W97 HydrophobicContact CB-CG 4.42Å; V92-W97 HydrophobicContact CG1-CZ2 4.44Å; V92-W97 HydrophobicContact CG2-CD2 3.88Å; V92-W97 HydrophobicContact CG2-CE3 4.36Å; V92-W97 HydrophobicContact CG2-CG 3.99Å
93G91Very high89.7Confident74 Ų7428.9 Ų28.976%0.76317%0.166SC*.THydrogen-bonded Turntrans64-123.9-175.600000111.7E95G93-E95 VanDerWaalsContact C-N 3.34Å
94D88.3Confident89.3Confident67 Ų6730.9 Ų30.936%0.35818%0.18SC..THydrogen-bonded Turntrans-9210.4176.468.6-42.2000113.1N57 L58 E59 V92N57-D94 PolarHBondContact ND2-OD2 2.95Å; L58-D94 WeakPolarHBondContact CB-O 3.48Å; L58-D94 WeakPolarHBondContact CG-O 3.43Å; L58-D94 PolarHBondContact N-O 3.32Å; E59-D94 HydrophobicContact CG-CB 4.33Å; V92-D94 PolarHBondContact O-N 2.72Å
95E90.2Very high88.9Confident27 Ų2731.4 Ų31.413%0.12619%0.186CC..EExtended strand (participates in β ladder)trans-119.5145.3-177.5-61.9178.1149.400112.7R55 I56 V91 V92 G93 W97R55-E95 IonicContact CZ-OE1 2.66Å; R55-E95 IonicContact CZ-OE2 3.49Å; R55-E95 IonicContact NE-OE1 3.44Å; R55-E95 PolarHBondContact NE-OE1 3.03Å; R55-E95 IonicContact NE-OE2 3.41Å; R55-E95 PolarHBondContact NE-OE2 2.9Å; R55-E95 IonicContact NH2-OE1 2.84Å; R55-E95 PolarHBondContact NH2-OE1 2.82Å; R55-E95 IonicContact NH2-OE2 3.49Å; R55-E95 PolarHBondContact NH2-OE2 3.03Å; I56-E95 CarbonylContact O-C 3.57Å; I56-E95 WeakPolarHBondContact O-CA 3.43Å; V91-E95 CarbonylContact C-O 3.5Å; V91-E95 WeakPolarHBondContact CA-O 3.24Å; V92-E95 PolarHBondContact N-O 2.6Å; V92-E95 PolarHBondContact O-N 2.81Å; V92-E95 VanDerWaalsContact O-N 3.11Å; G93-E95 VanDerWaalsContact C-N 3.34Å; E95-W97 PolarHBondContact OE2-NE1 2.75Å
96L89.3Confident89.1Confident0 Ų029.8 Ų29.80%018%0.179CC..EExtended strand (participates in β ladder)trans-99.1120.2165.9177.758.5000110.1I56 L58 L68 I72 V91 V98I56-L96 HydrophobicContact CB-CB 4.38Å; I56-L96 PolarHBondContact N-O 2.79Å; I56-L96 PolarHBondContact O-N 2.87Å; L58-L96 HydrophobicContact CD1-CB 4.44Å; L58-L96 HydrophobicContact CD2-CB 3.87Å; L58-L96 HydrophobicContact CG-CB 4.24Å; L68-L96 HydrophobicContact CD1-CD2 4.26Å; L68-L96 HydrophobicContact CD2-CD2 3.28Å; L68-L96 HydrophobicContact CG-CD2 3.46Å; L68-L96 VanDerWaalsContact CG-CD2 3.46Å; I72-L96 HydrophobicContact CD1-CD1 4.32Å; I72-L96 HydrophobicContact CD1-CD2 3.18Å; I72-L96 HydrophobicContact CD1-CG 3.94Å; V91-L96 HydrophobicContact CG2-CD1 4.04Å; L96-V98 HydrophobicContact CG-CG2 4.44Å
97W92.3Very high89.4Confident5 Ų529.2 Ų29.22%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-94.4123.9177.3-72.730.6000108.9K22 L27 I53 K54 R55 S89 F90 V92 E95K22-W97 HydrophobicContact CG-CH2 3.98Å; K22-W97 HydrophobicContact CG-CZ3 4.14Å; L27-W97 HydrophobicContact CD1-CH2 3.82Å; L27-W97 HydrophobicContact CD1-CZ2 4.25Å; L27-W97 HydrophobicContact CD2-CH2 4.01Å; L27-W97 HydrophobicContact CD2-CZ3 4.07Å; L27-W97 HydrophobicContact CG-CH2 4.03Å; L27-W97 HydrophobicContact CG-CZ3 4.49Å; I53-W97 HydrophobicContact CD1-CE3 3.94Å; I53-W97 HydrophobicContact CD1-CZ3 3.98Å; I53-W97 HydrophobicContact CG2-CB 3.92Å; I53-W97 HydrophobicContact CG2-CD2 3.79Å; I53-W97 HydrophobicContact CG2-CE3 3.61Å; I53-W97 HydrophobicContact CG2-CG 3.97Å; I53-W97 HydrophobicContact CG2-CZ3 4.32Å; K54-W97 WeakPolarHBondContact O-CA 3.23Å; R55-W97 HydrophobicContact CG-CD2 4.11Å; R55-W97 HydrophobicContact CG-CG 4.14Å; R55-W97 HydrophobicContact CG-CZ2 4.24Å; S89-W97 CarbonylContact C-O 3.45Å; S89-W97 WeakPolarHBondContact CA-O 3.47Å; S89-W97 WeakPolarHBondContact CB-O 3.3Å; F90-W97 HydrophobicContact CD2-CB 4.4Å; F90-W97 HydrophobicContact CE2-CB 4.15Å; F90-W97 HydrophobicContact CE2-CD2 4.3Å; F90-W97 AromaticContact CE2-CE3 3.9Å; F90-W97 HydrophobicContact CE2-CE3 3.9Å; F90-W97 HydrophobicContact CE2-CG 4.43Å; F90-W97 HydrophobicContact CZ-CB 4.27Å; F90-W97 AromaticContact CZ-CE3 3.87Å; F90-W97 HydrophobicContact CZ-CE3 3.87Å; F90-W97 PolarHBondContact N-O 3.33Å; F90-W97 WeakPolarHBondContact O-CB 3.43Å; F90-W97 PolarHBondContact O-N 2.91Å; V92-W97 HydrophobicContact CB-CD2 4.39Å; V92-W97 HydrophobicContact CB-CG 4.42Å; V92-W97 HydrophobicContact CG1-CZ2 4.44Å; V92-W97 HydrophobicContact CG2-CD2 3.88Å; V92-W97 HydrophobicContact CG2-CE3 4.36Å; V92-W97 HydrophobicContact CG2-CG 3.99Å; E95-W97 PolarHBondContact OE2-NE1 2.75Å
98V89.6Confident89.7Confident3 Ų326.4 Ų26.42%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-110.8114173.5-175.10000108.2I53 K54 I56 I72 M75 Y86 L96 M100I53-V98 WeakPolarHBondContact CA-O 3.32Å; K54-V98 HydrophobicContact CB-CB 4.38Å; K54-V98 PolarHBondContact N-O 3.34Å; K54-V98 PolarHBondContact O-N 3.47Å; I56-V98 HydrophobicContact CD1-CG2 3.85Å; I72-V98 HydrophobicContact CD1-CG2 3.95Å; I72-V98 HydrophobicContact CG1-CG2 4.43Å; M75-V98 HydrophobicContact CE-CG1 4.44Å; Y86-V98 HydrophobicContact CD1-CG1 3.75Å; Y86-V98 HydrophobicContact CE1-CG1 4.22Å; L96-V98 HydrophobicContact CG-CG2 4.44Å; V98-M100 HydrophobicContact CB-CE 4.16Å; V98-M100 HydrophobicContact CG1-CE 3.9Å
99V92.4Very high89.8Confident0 Ų027.1 Ų27.10%017%0.17CC..EExtended strand (participates in β ladder)trans-91.3128.4-179.3-170.80000109.1W18 Y25 C51 A52 I53 Y87 T88 F90W18-V99 HydrophobicContact CE3-CG1 4.13Å; W18-V99 HydrophobicContact CZ3-CG1 4.32Å; Y25-V99 HydrophobicContact CE1-CG1 3.76Å; Y25-V99 HydrophobicContact CE1-CG2 4Å; C51-V99 HydrophobicContact CB-CG1 4.08Å; A52-V99 WeakPolarHBondContact O-CA 3.32Å; I53-V99 HydrophobicContact CG1-CG2 4.35Å; Y87-V99 HydrophobicContact CD2-CG1 4.16Å; Y87-V99 PolarHBondContact N-O 2.77Å; T88-V99 HydrophobicContact CG2-CB 3.87Å; T88-V99 HydrophobicContact CG2-CG2 3.77Å; T88-V99 PolarHBondContact N-O 2.78Å; T88-V99 PolarHBondContact O-N 3.49Å; F90-V99 HydrophobicContact CD1-CG2 4.47Å; F90-V99 HydrophobicContact CE1-CG2 3.66Å; F90-V99 HydrophobicContact CZ-CG2 4.39Å
100M91.1Very high89.9Confident13 Ų1329.2 Ų29.26%0.06418%0.179CC..EExtended strand (participates in β ladder)trans-143.8170.1-176.466.8-166.874.200111.9A52 K54 V84 N85 Y86 V98 L102A52-M100 HydrophobicContact CB-CG 3.8Å; A52-M100 PolarHBondContact N-O 3.27Å; A52-M100 PolarHBondContact O-N 3.48Å; K54-M100 HydrophobicContact CB-CE 3.62Å; K54-M100 HydrophobicContact CD-CE 4.46Å; V84-M100 HydrophobicContact CG1-CB 4.14Å; V84-M100 HydrophobicContact CG1-CG 4.34Å; V84-M100 HydrophobicContact CG1-SD 4.3Å; N85-M100 WeakPolarHBondContact O-CA 3.33Å; N85-M100 WeakPolarHBondContact O-CB 3.35Å; Y86-M100 HydrophobicContact CD1-CB 4.09Å; Y86-M100 HydrophobicContact CD1-CE 4.31Å; Y86-M100 HydrophobicContact CE1-CB 4.45Å; Y86-M100 HydrophobicContact CE1-CE 3.95Å; Y86-M100 HydrophobicContact CE1-SD 4.25Å; V98-M100 HydrophobicContact CB-CE 4.16Å; V98-M100 HydrophobicContact CG1-CE 3.9Å; M100-L102 PolarHBondContact O-N 3.43Å
101K89.9Confident89.9Confident74 Ų7428.5 Ų28.532%0.32218%0.177SC..EExtended strand (participates in β ladder)trans-59.7131.7174.3-174.2174.1179.2-1770111N85 Y87N85-K101 HydrophobicContact CB-CB 4.34Å; N85-K101 PolarHBondContact O-N 2.69Å; Y87-K101 HydrophobicContact CE1-CB 4.46Å; Y87-K101 HydrophobicContact CE2-CB 4.26Å; Y87-K101 WeakPolarHBondContact OH-CB 3.23Å
102L90Very high90Very high46 Ų4625 Ų2524%0.24116%0.155CC..  trans-78.1127.2170-175.663.5000109.9P50 A52 M100P50-L102 HydrophobicContact CB-CD2 3.97Å; A52-L102 HydrophobicContact CB-CD1 4Å; M100-L102 PolarHBondContact O-N 3.43Å
103L87.4Confident89.8Confident12 Ų1228.7 Ų28.76%0.06317%0.169CC..  trans-111.7102.5171.5-69169.8000108.8V84 G105 L161 A163 Q169V84-L103 HydrophobicContact CG2-CD1 3.82Å; L103-G105 VanDerWaalsContact C-N 3.32Å; L103-G105 PolarHBondContact O-N 3.2Å; L103-L161 HydrophobicContact CB-CB 4.09Å; L103-L161 HydrophobicContact CB-CD1 4.37Å; L103-L161 HydrophobicContact CD1-CB 3.34Å; L103-L161 HydrophobicContact CD1-CD1 3.83Å; L103-L161 HydrophobicContact CD1-CG 4.21Å; L103-L161 HydrophobicContact CG-CB 4.36Å; L103-A163 HydrophobicContact CD2-CB 3.67Å; L103-Q169 HydrophobicContact CD1-CB 3.86Å; L103-Q169 HydrophobicContact CD1-CG 4.11Å
104S82.5Confident89.7Confident43 Ų4327.1 Ų27.130%0.30114%0.143SC..THydrogen-bonded Turntrans-77.9-10.3-170.641.80000114.8G106 E164 L321S104-G106 PolarHBondContact O-N 2.69Å; S104-E164 VanDerWaalsContact CB-OE1 3.28Å; S104-E164 WeakPolarHBondContact CB-OE1 3.35Å; S104-E164 VanDerWaalsContact OG-CG 3.28Å; S104-E164 WeakPolarHBondContact OG-CG 3.23Å; S104-E164 PolarHBondContact OG-OE1 3.29Å; S104-L321 VanDerWaalsContact O-CD1 3.23Å; S104-L321 WeakPolarHBondContact O-CD1 3.42Å
105G81.7Confident89.8Confident12 Ų1226 Ų2612%0.12413%0.134CC..THydrogen-bonded Turntrans-77.6-417700000114.4L103 L162L103-G105 VanDerWaalsContact C-N 3.32Å; L103-G105 PolarHBondContact O-N 3.2Å; G105-L162 CarbonylContact C-O 3.52Å; G105-L162 WeakPolarHBondContact CA-O 3.35Å; G105-L162 PolarHBondContact N-O 2.73Å
106G87.9Confident89.8Confident7 Ų728.3 Ų28.37%0.07215%0.146CC..  trans77.7-172.5-178.700000113.3S104 L161 L162S104-G106 PolarHBondContact O-N 2.69Å; G106-L161 WeakPolarHBondContact O-CA 3.29Å; G106-L162 PolarHBondContact O-N 3.29Å
107S92.4Very high89.8Confident10 Ų1036.9 Ų36.97%0.0718%0.183CC..BIsolated β-bridgetrans-88.1161175.469.50000111.7L109 D110 V111 G158 I160S107-L109 PolarHBondContact O-N 3.35Å; S107-L109 WeakPolarHBondContact OG-CB 3.39Å; S107-L109 PolarHBondContact OG-N 3.1Å; S107-D110 WeakPolarHBondContact CB-OD2 3.28Å; S107-D110 PolarHBondContact N-OD2 3.27Å; S107-D110 WeakPolarHBondContact O-CB 3.42Å; S107-D110 PolarHBondContact O-N 2.9Å; S107-D110 VanDerWaalsContact O-N 3.07Å; S107-D110 PolarHBondContact OG-N 2.87Å; S107-D110 PolarHBondContact OG-OD2 2.84Å; S107-V111 PolarHBondContact O-N 3.25Å; S107-G158 WeakPolarHBondContact CB-O 3.4Å; S107-I160 CarbonylContact C-O 3.52Å; S107-I160 VanDerWaalsContact CA-O 3.3Å; S107-I160 WeakPolarHBondContact CA-O 3.47Å
108L94.4Very high89.6Confident2 Ų241.4 Ų41.41%0.0121%0.207CC..Hα-helixtrans-62.8-26170.6-65.8-172.5000111.8D110 V111 L112 L134 S157 I160 L228 L312L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.43Å; L108-V111 WeakPolarHBondContact O-CB 3.32Å; L108-V111 PolarHBondContact O-N 3.45Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.29Å; L108-L112 PolarHBondContact O-N 2.87Å; L108-L134 HydrophobicContact CD1-CD1 4.09Å; L108-L134 HydrophobicContact CD1-CD2 4.11Å; L108-L134 HydrophobicContact CD2-CD1 4.27Å; L108-L134 HydrophobicContact CD2-CD2 3.9Å; L108-S157 PolarHBondContact N-O 2.84Å; L108-I160 HydrophobicContact CB-CB 4.38Å; L108-I160 HydrophobicContact CD1-CB 3.73Å; L108-I160 HydrophobicContact CD1-CG1 4.39Å; L108-I160 HydrophobicContact CD1-CG2 3.45Å; L108-I160 VanDerWaalsContact CD1-CG2 3.45Å; L108-I160 HydrophobicContact CG-CB 3.86Å; L108-I160 HydrophobicContact CG-CG2 3.79Å; L108-I160 PolarHBondContact N-O 2.9Å; L108-L228 HydrophobicContact CB-CD2 4.29Å; L108-L228 HydrophobicContact CD1-CD2 3.85Å; L108-L312 HydrophobicContact CD2-CD1 4.48Å
109L91.9Very high89.5Confident37 Ų3744.4 Ų44.419%0.19423%0.226CC..Hα-helixtrans-60.1-42.5171.5-178.761.4000111.5S107 V111 L112 K113 S157 W349S107-L109 PolarHBondContact O-N 3.35Å; S107-L109 WeakPolarHBondContact OG-CB 3.39Å; S107-L109 PolarHBondContact OG-N 3.1Å; L109-V111 VanDerWaalsContact C-N 3.33Å; L109-L112 PolarHBondContact O-N 2.94Å; L109-K113 HydrophobicContact CD1-CG 4.43Å; L109-K113 HydrophobicContact CG-CD 4.32Å; L109-K113 WeakPolarHBondContact O-CB 3.44Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.46Å; L109-S157 WeakPolarHBondContact CA-OG 3.34Å; L109-S157 WeakPolarHBondContact CB-OG 3.19Å; L109-S157 PolarHBondContact N-O 3.12Å; L109-W349 HydrophobicContact CD2-CH2 4.5Å
110D90.5Very high89.3Confident65 Ų6550.9 Ų50.935%0.34826%0.261SS..Hα-helixtrans-64.6-40.6177.8-56.1-48.9000111S107 L108 K113 N114S107-D110 WeakPolarHBondContact CB-OD2 3.28Å; S107-D110 PolarHBondContact N-OD2 3.27Å; S107-D110 WeakPolarHBondContact O-CB 3.42Å; S107-D110 PolarHBondContact O-N 2.9Å; S107-D110 VanDerWaalsContact O-N 3.07Å; S107-D110 PolarHBondContact OG-N 2.87Å; S107-D110 PolarHBondContact OG-OD2 2.84Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.43Å; D110-K113 PolarHBondContact O-N 2.87Å; D110-N114 VanDerWaalsContact O-CB 3.29Å; D110-N114 WeakPolarHBondContact O-CB 3.43Å; D110-N114 PolarHBondContact O-N 3.08Å
111V91.6Very high89.3Confident3 Ų351.5 Ų51.52%0.01827%0.266CS..Hα-helixtrans-61.4-47.1174.8176.40000111.2S107 L108 L109 N114 R115 L312S107-V111 PolarHBondContact O-N 3.25Å; L108-V111 WeakPolarHBondContact O-CB 3.32Å; L108-V111 PolarHBondContact O-N 3.45Å; L109-V111 VanDerWaalsContact C-N 3.33Å; V111-N114 PolarHBondContact O-N 2.83Å; V111-R115 PolarHBondContact O-N 3.3Å; V111-L312 HydrophobicContact CG1-CD2 4.02Å
112L92.5Very high89.4Confident0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-62.4-48.7178.2-68.3175.9000111.2L108 L109 N114 R115 M116 V125 L126 E227 L228L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.29Å; L108-L112 PolarHBondContact O-N 2.87Å; L109-L112 PolarHBondContact O-N 2.94Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.93Å; L112-R115 PolarHBondContact O-N 3.12Å; L112-M116 HydrophobicContact CB-CE 4.27Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.08Å; L112-V125 HydrophobicContact CD2-CB 4.23Å; L112-V125 HydrophobicContact CD2-CG1 3.59Å; L112-L126 HydrophobicContact CD2-CD1 4.16Å; L112-L126 HydrophobicContact CD2-CG 4.24Å; L112-E227 HydrophobicContact CD1-CG 3.96Å; L112-L228 HydrophobicContact CD1-CD2 4.26Å; L112-L228 HydrophobicContact CD2-CD2 4.37Å
113K90Very high89.6Confident103 Ų10354.4 Ų54.445%0.44828%0.278SS..Hα-helixtrans-57.3-45.5176.9-76.5180176.5-178.50111.7L109 D110 K117L109-K113 HydrophobicContact CD1-CG 4.43Å; L109-K113 HydrophobicContact CG-CD 4.32Å; L109-K113 WeakPolarHBondContact O-CB 3.44Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 3.46Å; D110-K113 PolarHBondContact O-N 2.87Å; K113-K117 WeakPolarHBondContact O-CB 3.2Å; K113-K117 PolarHBondContact O-N 2.87Å; K113-K117 VanDerWaalsContact O-N 3.11Å
114N88.7Confident89.9Confident40 Ų4054.5 Ų54.521%0.21428%0.282CS..Hα-helixtrans-64.4-40.7179.2-169.653.8000112D110 V111 L112 K117 N118D110-N114 VanDerWaalsContact O-CB 3.29Å; D110-N114 WeakPolarHBondContact O-CB 3.43Å; D110-N114 PolarHBondContact O-N 3.08Å; V111-N114 PolarHBondContact O-N 2.83Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.93Å; N114-K117 PolarHBondContact O-N 2.94Å; N114-N118 WeakPolarHBondContact O-CB 3.44Å; N114-N118 PolarHBondContact O-N 3.46Å; N114-N118 PolarHBondContact O-ND2 3.1Å; N114-N118 PolarHBondContact OD1-ND2 3.38Å
115R90.5Very high90.5Very high45 Ų4552.9 Ų52.917%0.1727%0.27CS..Hα-helixtrans-68.2-46.5176.9-79-167.5168-111.1-0.8112.7V111 L112 K117 N118 T119 V125 A311 S316V111-R115 PolarHBondContact O-N 3.3Å; L112-R115 PolarHBondContact O-N 3.12Å; R115-K117 PolarHBondContact O-N 3.04Å; R115-N118 PolarHBondContact O-N 3.45Å; R115-N118 VanDerWaalsContact O-N 3.1Å; R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 2.93Å; R115-V125 HydrophobicContact CB-CG1 3.99Å; R115-A311 PolarHBondContact NH2-O 3.27Å; R115-S316 PolarHBondContact NE-OG 3.06Å; R115-S316 PolarHBondContact NH2-OG 3.35Å
116M89.8Confident91.1Very high75 Ų7552.7 Ų52.737%0.36927%0.266SS..Hα-helixtrans-60.9-28.2178.1-70-174-67.700112.7L112 V125L112-M116 HydrophobicContact CB-CE 4.27Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.08Å; M116-V125 HydrophobicContact CG-CG1 4.47Å; M116-V125 HydrophobicContact CG-CG2 4.02Å; M116-V125 HydrophobicContact SD-CG2 4.44Å
117K89.7Confident91.5Very high180 Ų18055.7 Ų55.778%0.78328%0.281SS*.Hα-helixtrans-77.7-33.9175.4-173.1175.5179.2178.60113.6K113 N114 R115K113-K117 WeakPolarHBondContact O-CB 3.2Å; K113-K117 PolarHBondContact O-N 2.87Å; K113-K117 VanDerWaalsContact O-N 3.11Å; N114-K117 PolarHBondContact O-N 2.94Å; R115-K117 PolarHBondContact O-N 3.04Å
118N87.2Confident91.8Very high99 Ų9956.1 Ų56.153%0.52928%0.282SS..Hα-helixtrans-110.6-8.7-167.6-64.3-49.8000114.6N114 R115N114-N118 WeakPolarHBondContact O-CB 3.44Å; N114-N118 PolarHBondContact O-N 3.46Å; N114-N118 PolarHBondContact O-ND2 3.1Å; N114-N118 PolarHBondContact OD1-ND2 3.38Å; R115-N118 PolarHBondContact O-N 3.45Å; R115-N118 VanDerWaalsContact O-N 3.1Å
119T87.1Confident91.9Very high66 Ų6657.9 Ų57.941%0.40529%0.292SS..SBendtrans-136.5151.2-176.759.40000111R115 C121R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 2.93Å; T119-C121 PolarHBondContact O-N 2.85Å; T119-C121 PolarHBondContact OG1-SG 2.97Å; T119-C121 VanDerWaalsContact OG1-SG 3.39Å
120D89.3Confident92.2Very high137 Ų13756.1 Ų56.173%0.73328%0.283SS*.  trans-70.1109.8170179.910.3000109.5K122D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.9Å
121C91.4Very high92.6Very high25 Ų2553 Ų5317%0.16927%0.267CS..  trans-104.415.9178.8-620000112.8T119 H123 G124 V125T119-C121 PolarHBondContact O-N 2.85Å; T119-C121 PolarHBondContact OG1-SG 2.97Å; T119-C121 VanDerWaalsContact OG1-SG 3.39Å; C121-H123 PolarHBondContact O-N 3.46Å; C121-H123 VanDerWaalsContact O-N 3.14Å; C121-G124 PolarHBondContact O-N 2.76Å; C121-V125 HydrophobicContact CB-CG2 3.88Å
122K91.2Very high92.9Very high83 Ų8352.9 Ų52.936%0.36127%0.266SS..THydrogen-bonded Turntrans-51.5-41.3-179179.9174.7-177.9173.50112D120 E261 Q264D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.9Å; K122-E261 VanDerWaalsContact CE-CD 3.49Å; K122-E261 VanDerWaalsContact CE-OE1 3.29Å; K122-E261 WeakPolarHBondContact CE-OE1 3.49Å; K122-E261 WeakPolarHBondContact CE-OE2 3.27Å; K122-E261 IonicContact NZ-OE1 2.72Å; K122-E261 PolarHBondContact NZ-OE1 3.06Å; K122-E261 IonicContact NZ-OE2 2.97Å; K122-E261 PolarHBondContact NZ-OE2 2.79Å; K122-Q264 WeakPolarHBondContact O-CG 3.42Å; K122-Q264 PolarHBondContact O-NE2 3.28Å
123H93.2Very high93.2Very high98 Ų9853 Ų5345%0.45427%0.267SS..THydrogen-bonded Turntrans-102.236.2178.3-62.7-61.1000112.3C121 Q264 H267C121-H123 PolarHBondContact O-N 3.46Å; C121-H123 VanDerWaalsContact O-N 3.14Å; H123-Q264 PolarHBondContact ND1-O 3.11Å; H123-H267 PolarHBondContact O-CE1 3.2Å; H123-H267 PolarHBondContact O-ND1 2.98Å; H123-H267 PolarHBondContact O-NE2 3.32Å
124G94.1Very high93.6Very high15 Ų1548.1 Ų48.116%0.15525%0.246CC..  trans104.8152.317600000114.2C121 A229 Y268C121-G124 PolarHBondContact O-N 2.76Å; G124-A229 CarbonylContact C-O 3.59Å; G124-A229 VanDerWaalsContact CA-O 3.24Å; G124-A229 WeakPolarHBondContact CA-O 3.36Å; G124-Y268 WeakPolarHBondContact CA-OH 3.48Å
125V94.9Very high94Very high9 Ų946.3 Ų46.36%0.05524%0.236CC..SBendtrans-93.9-49-172.4-1760000111.9L112 R115 M116 C121 A229L112-V125 HydrophobicContact CD2-CB 4.23Å; L112-V125 HydrophobicContact CD2-CG1 3.59Å; R115-V125 HydrophobicContact CB-CG1 3.99Å; M116-V125 HydrophobicContact CG-CG1 4.47Å; M116-V125 HydrophobicContact CG-CG2 4.02Å; M116-V125 HydrophobicContact SD-CG2 4.44Å; C121-V125 HydrophobicContact CB-CG2 3.88Å; V125-A229 PolarHBondContact N-O 3.32Å
126L96Very high94.4Very high7 Ų747.5 Ų47.54%0.03724%0.242CC..SBendtrans-120.5143.1178.5-59.4-179.3000110.7L112 T130 I131 L134 L228 Y268 L312L112-L126 HydrophobicContact CD2-CD1 4.16Å; L112-L126 HydrophobicContact CD2-CG 4.24Å; L126-T130 HydrophobicContact CD1-CG2 4.47Å; L126-T130 HydrophobicContact CD2-CG2 4.44Å; L126-I131 HydrophobicContact CB-CD1 4.11Å; L126-I131 HydrophobicContact CB-CG1 3.72Å; L126-I131 WeakPolarHBondContact O-CD1 3.32Å; L126-L134 HydrophobicContact CD1-CD1 3.92Å; L126-L228 WeakPolarHBondContact CB-O 3.22Å; L126-L228 HydrophobicContact CD1-CB 4.31Å; L126-L228 HydrophobicContact CD1-CD2 4.09Å; L126-Y268 WeakPolarHBondContact O-CE1 3.35Å; L126-Y268 PolarHBondContact O-OH 2.93Å; L126-L312 HydrophobicContact CD2-CD2 3.95Å
127D95.6Very high94.8Very high71 Ų7146 Ų4638%0.3823%0.234SC..  trans-75161.2174.671.885000112V129 T130 I131D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.15Å; D127-V129 WeakPolarHBondContact OD1-CA 3.13Å; D127-V129 WeakPolarHBondContact OD1-CB 3.39Å; D127-V129 PolarHBondContact OD1-N 3.17Å; D127-T130 PolarHBondContact O-N 3.34Å; D127-T130 PolarHBondContact OD1-N 2.9Å; D127-T130 PolarHBondContact OD1-OG1 2.72Å; D127-T130 WeakPolarHBondContact OD2-CB 3.27Å; D127-T130 PolarHBondContact OD2-OG1 2.86Å; D127-I131 WeakPolarHBondContact O-CG1 3.34Å; D127-I131 PolarHBondContact O-N 3.4Å
128E98.1Very high95.2Very high18 Ų1837.5 Ų37.58%0.08420%0.197CC..Hα-helixtrans-62.7-28.5-177.3-73.6-164.5163.300115.1A132 Y268 G269 F272 F298 K301E128-A132 WeakPolarHBondContact O-CB 3.29Å; E128-A132 PolarHBondContact O-N 3.4Å; E128-Y268 HydrophobicContact CG-CD1 3.62Å; E128-Y268 HydrophobicContact CG-CE1 4.2Å; E128-Y268 WeakPolarHBondContact OE1-CA 3.39Å; E128-G269 PolarHBondContact OE1-N 2.87Å; E128-F272 WeakPolarHBondContact OE1-CB 3.28Å; E128-F298 HydrophobicContact CB-CE2 3.94Å; E128-F298 HydrophobicContact CB-CZ 4.44Å; E128-F298 HydrophobicContact CG-CE2 4.03Å; E128-K301 HydrophobicContact CB-CD 4.15Å; E128-K301 WeakPolarHBondContact OE2-CE 3.48Å; E128-K301 IonicContact OE2-NZ 3.55Å; E128-K301 PolarHBondContact OE2-NZ 3.42Å
129V97.8Very high95.7Very high39 Ų3932.8 Ų32.824%0.23617%0.172CC..Hα-helixtrans-69.3-45.8178.5177.70000108.9D127 A132 T133 K301 K303 W307D127-V129 VanDerWaalsContact C-N 3.29Å; D127-V129 PolarHBondContact O-N 3.15Å; D127-V129 WeakPolarHBondContact OD1-CA 3.13Å; D127-V129 WeakPolarHBondContact OD1-CB 3.39Å; D127-V129 PolarHBondContact OD1-N 3.17Å; V129-A132 PolarHBondContact O-N 2.8Å; V129-T133 WeakPolarHBondContact O-CB 3.47Å; V129-T133 PolarHBondContact O-N 2.9Å; V129-T133 PolarHBondContact O-OG1 3.07Å; V129-K301 WeakPolarHBondContact CG1-O 3.39Å; V129-K303 HydrophobicContact CG1-CD 4.45Å; V129-K303 HydrophobicContact CG1-CG 3.5Å; V129-K303 VanDerWaalsContact CG1-CG 3.5Å; V129-W307 HydrophobicContact CB-CZ2 4.14Å; V129-W307 HydrophobicContact CG1-CD2 4.29Å; V129-W307 HydrophobicContact CG1-CH2 4.45Å; V129-W307 HydrophobicContact CG1-CZ2 3.76Å
130T97.3Very high96.3Very high1 Ų132.8 Ų32.81%0.00617%0.166CC..Hα-helixtrans-63.7-47.8176.2-57.60000111.2L126 D127 A132 T133 L134 W307 L308 A311 L312L126-T130 HydrophobicContact CD1-CG2 4.47Å; L126-T130 HydrophobicContact CD2-CG2 4.44Å; D127-T130 PolarHBondContact O-N 3.34Å; D127-T130 PolarHBondContact OD1-N 2.9Å; D127-T130 PolarHBondContact OD1-OG1 2.72Å; D127-T130 WeakPolarHBondContact OD2-CB 3.27Å; D127-T130 PolarHBondContact OD2-OG1 2.86Å; T130-A132 PolarHBondContact O-N 3.27Å; T130-T133 PolarHBondContact O-N 3.36Å; T130-L134 HydrophobicContact CG2-CD1 4.21Å; T130-L134 WeakPolarHBondContact O-CG 3.5Å; T130-L134 PolarHBondContact O-N 2.91Å; T130-W307 PolarHBondContact OG1-NE1 3.17Å; T130-W307 VanDerWaalsContact OG1-NE1 3.1Å; T130-L308 HydrophobicContact CG2-CD2 4.46Å; T130-A311 HydrophobicContact CG2-CB 4.42Å; T130-L312 HydrophobicContact CG2-CD1 4.45Å; T130-L312 HydrophobicContact CG2-CD2 3.67Å; T130-L312 HydrophobicContact CG2-CG 4.18Å
131I98.3Very high96.6Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-59.8-47.6176.6-65.8174000111.3L126 D127 T133 L134 L135 L228 A229 Y268 F272 F298L126-I131 HydrophobicContact CB-CD1 4.11Å; L126-I131 HydrophobicContact CB-CG1 3.72Å; L126-I131 WeakPolarHBondContact O-CD1 3.32Å; D127-I131 WeakPolarHBondContact O-CG1 3.34Å; D127-I131 PolarHBondContact O-N 3.4Å; I131-T133 VanDerWaalsContact C-N 3.26Å; I131-T133 PolarHBondContact O-N 2.87Å; I131-L134 PolarHBondContact O-N 2.85Å; I131-L135 HydrophobicContact CG2-CD1 3.53Å; I131-L135 HydrophobicContact CG2-CG 3.98Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.19Å; I131-L135 PolarHBondContact O-N 3.46Å; I131-L228 HydrophobicContact CD1-CB 4.32Å; I131-L228 HydrophobicContact CG1-CB 4.09Å; I131-L228 HydrophobicContact CG2-CD1 4.46Å; I131-A229 HydrophobicContact CD1-CB 3.92Å; I131-Y268 HydrophobicContact CD1-CE1 3.88Å; I131-F272 HydrophobicContact CD1-CE1 4.48Å; I131-F272 HydrophobicContact CD1-CZ 4.12Å; I131-F272 HydrophobicContact CG2-CE2 3.74Å; I131-F272 HydrophobicContact CG2-CZ 3.97Å; I131-F298 HydrophobicContact CB-CZ 4.31Å; I131-F298 HydrophobicContact CG2-CE1 4.19Å; I131-F298 HydrophobicContact CG2-CZ 3.96Å
132A98.6Very high96.8Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-60.8-37.7178.900000112E128 V129 T130 K136 F298 F299 K301 A302E128-A132 WeakPolarHBondContact O-CB 3.29Å; E128-A132 PolarHBondContact O-N 3.4Å; V129-A132 PolarHBondContact O-N 2.8Å; T130-A132 PolarHBondContact O-N 3.27Å; A132-K136 VanDerWaalsContact O-CB 3.22Å; A132-K136 WeakPolarHBondContact O-CB 3.5Å; A132-K136 PolarHBondContact O-N 2.99Å; A132-K136 VanDerWaalsContact O-N 3.13Å; A132-F298 HydrophobicContact CB-CD1 4.16Å; A132-F298 HydrophobicContact CB-CE1 3.66Å; A132-F298 HydrophobicContact CB-CE2 4.38Å; A132-F298 HydrophobicContact CB-CZ 3.77Å; A132-F299 WeakPolarHBondContact O-CD1 3.49Å; A132-K301 HydrophobicContact CB-CB 4Å; A132-A302 HydrophobicContact CB-CB 4.27Å
133T98.3Very high97.1Very high3 Ų324.3 Ų24.32%0.01812%0.121CC..Hα-helixtrans-67.8-45.6178.8-51.80000111.2V129 T130 I131 A302 K303 L308V129-T133 WeakPolarHBondContact O-CB 3.47Å; V129-T133 PolarHBondContact O-N 2.9Å; V129-T133 PolarHBondContact O-OG1 3.07Å; T130-T133 PolarHBondContact O-N 3.36Å; I131-T133 VanDerWaalsContact C-N 3.26Å; I131-T133 PolarHBondContact O-N 2.87Å; T133-A302 WeakPolarHBondContact OG1-CA 3.49Å; T133-K303 WeakPolarHBondContact CG2-O 3.46Å; T133-K303 PolarHBondContact OG1-N 3.13Å; T133-L308 HydrophobicContact CG2-CD1 3.95Å; T133-L308 HydrophobicContact CG2-CD2 3.74Å; T133-L308 HydrophobicContact CG2-CG 3.68Å
134L98Very high97.1Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-62.1-55.8176.2-71.9170.2000112.1L108 L126 T130 I131 K136 E137 V138 I168 L228 L308 L312L108-L134 HydrophobicContact CD1-CD1 4.09Å; L108-L134 HydrophobicContact CD1-CD2 4.11Å; L108-L134 HydrophobicContact CD2-CD1 4.27Å; L108-L134 HydrophobicContact CD2-CD2 3.9Å; L126-L134 HydrophobicContact CD1-CD1 3.92Å; T130-L134 HydrophobicContact CG2-CD1 4.21Å; T130-L134 WeakPolarHBondContact O-CG 3.5Å; T130-L134 PolarHBondContact O-N 2.91Å; I131-L134 PolarHBondContact O-N 2.85Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.92Å; L134-E137 PolarHBondContact O-N 2.96Å; L134-E137 VanDerWaalsContact O-N 3.08Å; L134-V138 PolarHBondContact O-N 3.45Å; L134-V138 VanDerWaalsContact O-N 3.14Å; L134-I168 HydrophobicContact CD2-CD1 3.37Å; L134-I168 HydrophobicContact CD2-CG1 3.79Å; L134-L228 HydrophobicContact CD1-CD1 4.37Å; L134-L308 HydrophobicContact CD2-CD1 4.1Å; L134-L308 HydrophobicContact CD2-CD2 3.8Å; L134-L308 HydrophobicContact CG-CD2 3.86Å; L134-L312 HydrophobicContact CD1-CD1 4.15Å; L134-L312 HydrophobicContact CD2-CD1 3.87Å; L134-L312 HydrophobicContact CG-CD1 4.36Å
135L98.6Very high97Very high1 Ų121 Ų211%0.00510%0.101CC..Hα-helixtrans-65.5-28.7-173.6-71.7-174.7000112.6I131 E137 V138 L139 F221 L224 A225 L228 M275 F299I131-L135 HydrophobicContact CG2-CD1 3.53Å; I131-L135 HydrophobicContact CG2-CG 3.98Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.19Å; I131-L135 PolarHBondContact O-N 3.46Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.3Å; L135-V138 PolarHBondContact O-N 2.61Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.31Å; L135-F221 HydrophobicContact CB-CE2 3.86Å; L135-F221 HydrophobicContact CB-CZ 3.77Å; L135-F221 HydrophobicContact CD1-CE2 4.45Å; L135-F221 HydrophobicContact CD1-CZ 4.04Å; L135-F221 HydrophobicContact CD2-CD2 4.25Å; L135-F221 HydrophobicContact CD2-CE2 3.64Å; L135-F221 HydrophobicContact CD2-CZ 4.08Å; L135-F221 HydrophobicContact CG-CE2 4.18Å; L135-F221 HydrophobicContact CG-CZ 4.18Å; L135-L224 HydrophobicContact CD2-CD2 3.9Å; L135-L224 HydrophobicContact CD2-CG 4Å; L135-A225 HydrophobicContact CD1-CB 3.65Å; L135-L228 HydrophobicContact CD2-CD1 3.65Å; L135-L228 HydrophobicContact CG-CD1 3.97Å; L135-M275 HydrophobicContact CD1-CE 4.01Å; L135-F299 HydrophobicContact CB-CE1 3.8Å; L135-F299 HydrophobicContact CB-CZ 4.34Å
136K98.5Very high96.9Very high71 Ų7121.7 Ų21.731%0.30910%0.103SC..Hα-helixtrans-61.8-41.2173.5-174.7176.1-178.8179.40111.8A132 L134 L139 K140 L294 F299 A302A132-K136 VanDerWaalsContact O-CB 3.22Å; A132-K136 WeakPolarHBondContact O-CB 3.5Å; A132-K136 PolarHBondContact O-N 2.99Å; A132-K136 VanDerWaalsContact O-N 3.13Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.92Å; K136-L139 PolarHBondContact O-N 3.28Å; K136-K140 WeakPolarHBondContact O-CG 3.35Å; K136-K140 PolarHBondContact O-N 2.78Å; K136-L294 HydrophobicContact CG-CD2 4.01Å; K136-F299 HydrophobicContact CB-CD1 3.85Å; K136-F299 HydrophobicContact CB-CE1 4.3Å; K136-A302 HydrophobicContact CB-CB 4.49Å; K136-A302 HydrophobicContact CD-CB 3.79Å
137E98Very high96.7Very high43 Ų4325.6 Ų25.620%0.20113%0.131CC..Hα-helixtrans-71.8-37.6177.7-62.6-50.5114.300111.7N82 L134 L135 L139 K140 G141 I168N82-E137 WeakPolarHBondContact CB-O 3.45Å; N82-E137 WeakPolarHBondContact ND2-CB 3.43Å; N82-E137 PolarHBondContact ND2-OE2 3.31Å; L134-E137 PolarHBondContact O-N 2.96Å; L134-E137 VanDerWaalsContact O-N 3.08Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.3Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.83Å; E137-K140 VanDerWaalsContact CD-NZ 3.32Å; E137-K140 PolarHBondContact O-N 3.13Å; E137-K140 WeakPolarHBondContact OE1-CE 3.39Å; E137-K140 IonicContact OE1-NZ 2.95Å; E137-K140 PolarHBondContact OE1-NZ 3.37Å; E137-K140 IonicContact OE2-NZ 3.46Å; E137-K140 PolarHBondContact OE2-NZ 3.37Å; E137-K140 VanDerWaalsContact OE2-NZ 3.15Å; E137-G141 PolarHBondContact O-N 3.13Å; E137-I168 HydrophobicContact CB-CB 3.72Å; E137-I168 HydrophobicContact CB-CG1 4.28Å; E137-I168 HydrophobicContact CB-CG2 4.09Å; E137-I168 HydrophobicContact CG-CB 4.32Å; E137-I168 HydrophobicContact CG-CG1 4.49Å
138V98.2Very high96.2Very high1 Ų126.5 Ų26.51%0.00614%0.136CC..Hα-helixtrans-60.2-44.2171.9178.70000111L134 L135 K140 G141 L142 I160 I168 V170 F221 L224L134-V138 PolarHBondContact O-N 3.45Å; L134-V138 VanDerWaalsContact O-N 3.14Å; L135-V138 PolarHBondContact O-N 2.61Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 3.24Å; V138-G141 WeakPolarHBondContact O-CA 3.19Å; V138-G141 PolarHBondContact O-N 2.89Å; V138-G141 VanDerWaalsContact O-N 3.11Å; V138-L142 HydrophobicContact CG1-CD1 4.34Å; V138-L142 PolarHBondContact O-N 3.3Å; V138-I160 HydrophobicContact CG1-CD1 4.04Å; V138-I160 HydrophobicContact CG2-CD1 3.89Å; V138-I160 HydrophobicContact CG2-CG1 4.18Å; V138-I160 HydrophobicContact CG2-CG2 3.84Å; V138-I168 HydrophobicContact CG2-CG2 4.13Å; V138-V170 HydrophobicContact CG1-CG2 4.27Å; V138-F221 HydrophobicContact CB-CE2 4.38Å; V138-F221 HydrophobicContact CG1-CD2 4.06Å; V138-F221 HydrophobicContact CG1-CE2 4.28Å; V138-L224 HydrophobicContact CG1-CD2 4.24Å
139L98.5Very high95.5Very high0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-62.5-36177.8-79174.2000113.3L135 K136 E137 G141 L142 E143 F221 A290 L293 L294 F299L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.31Å; K136-L139 PolarHBondContact O-N 3.28Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.83Å; L139-G141 VanDerWaalsContact C-N 3.31Å; L139-L142 PolarHBondContact O-N 3.45Å; L139-E143 WeakPolarHBondContact O-CB 3.36Å; L139-E143 PolarHBondContact O-N 3.1Å; L139-F221 HydrophobicContact CD1-CE1 4.32Å; L139-F221 HydrophobicContact CD1-CE2 4.27Å; L139-F221 HydrophobicContact CD1-CZ 3.71Å; L139-F221 HydrophobicContact CD2-CD1 4.33Å; L139-F221 HydrophobicContact CD2-CD2 4.09Å; L139-F221 HydrophobicContact CD2-CE1 4.01Å; L139-F221 HydrophobicContact CD2-CE2 3.75Å; L139-F221 HydrophobicContact CD2-CG 4.36Å; L139-F221 HydrophobicContact CD2-CZ 3.7Å; L139-F221 HydrophobicContact CG-CD2 4.33Å; L139-F221 HydrophobicContact CG-CE1 4.24Å; L139-F221 HydrophobicContact CG-CE2 3.54Å; L139-F221 HydrophobicContact CG-CZ 3.48Å; L139-F221 VanDerWaalsContact CG-CZ 3.48Å; L139-A290 HydrophobicContact CD2-CB 4.14Å; L139-L293 HydrophobicContact CD1-CB 3.69Å; L139-L293 HydrophobicContact CD2-CB 3.94Å; L139-L293 HydrophobicContact CD2-CD1 3.84Å; L139-L294 HydrophobicContact CB-CD2 3.65Å; L139-L294 HydrophobicContact CB-CG 3.87Å; L139-L294 HydrophobicContact CD1-CD2 4.16Å; L139-L294 HydrophobicContact CD1-CG 4.26Å; L139-F299 HydrophobicContact CD1-CD2 4.36Å; L139-F299 HydrophobicContact CD1-CE1 3.97Å; L139-F299 HydrophobicContact CD1-CE2 3.5Å; L139-F299 HydrophobicContact CD1-CZ 3.28Å; L139-F299 HydrophobicContact CG-CZ 4.47Å
140K98Very high94.8Very high66 Ų6630.1 Ų30.129%0.28717%0.168SC..Hα-helixtrans-63.3-40.1173.5-67.9171.1179.6170.60111.5H80 N82 K136 E137 V138 Y144 L294H80-K140 PolarHBondContact CE1-O 3Å; N82-K140 WeakPolarHBondContact OD1-CB 3.41Å; N82-K140 WeakPolarHBondContact OD1-CD 3.44Å; K136-K140 WeakPolarHBondContact O-CG 3.35Å; K136-K140 PolarHBondContact O-N 2.78Å; E137-K140 VanDerWaalsContact CD-NZ 3.32Å; E137-K140 PolarHBondContact O-N 3.13Å; E137-K140 WeakPolarHBondContact OE1-CE 3.39Å; E137-K140 IonicContact OE1-NZ 2.95Å; E137-K140 PolarHBondContact OE1-NZ 3.37Å; E137-K140 IonicContact OE2-NZ 3.46Å; E137-K140 PolarHBondContact OE2-NZ 3.37Å; E137-K140 VanDerWaalsContact OE2-NZ 3.15Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 3.24Å; K140-Y144 PolarHBondContact O-N 3.16Å; K140-L294 HydrophobicContact CG-CD2 4.29Å
141G96Very high94.3Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-62.4-44.4173.100000112.4E137 V138 L139 Y144 F145E137-G141 PolarHBondContact O-N 3.13Å; V138-G141 WeakPolarHBondContact O-CA 3.19Å; V138-G141 PolarHBondContact O-N 2.89Å; V138-G141 VanDerWaalsContact O-N 3.11Å; L139-G141 VanDerWaalsContact C-N 3.31Å; G141-Y144 WeakPolarHBondContact O-CB 3.44Å; G141-Y144 PolarHBondContact O-N 3.03Å; G141-F145 WeakPolarHBondContact O-CD2 3.36Å; G141-F145 PolarHBondContact O-N 3.28Å; G141-F145 VanDerWaalsContact O-N 3.08Å
142L96.2Very high93.7Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-65.2-43.9176-73.3178.3000112.8V138 L139 Y144 F145 H146 H152 I155 D217 F221 A290V138-L142 HydrophobicContact CG1-CD1 4.34Å; V138-L142 PolarHBondContact O-N 3.3Å; L139-L142 PolarHBondContact O-N 3.45Å; L142-Y144 PolarHBondContact O-N 2.96Å; L142-F145 PolarHBondContact O-N 3.15Å; L142-F145 VanDerWaalsContact O-N 3.11Å; L142-H146 WeakPolarHBondContact O-CB 3.34Å; L142-H146 PolarHBondContact O-CD2 3.38Å; L142-H146 VanDerWaalsContact O-CD2 3.25Å; L142-H146 PolarHBondContact O-N 2.9Å; L142-H152 HydrophobicContact CD2-CB 4.23Å; L142-I155 HydrophobicContact CD2-CD1 3.69Å; L142-I155 HydrophobicContact CD2-CG1 3.92Å; L142-I155 HydrophobicContact CG-CD1 4.36Å; L142-D217 HydrophobicContact CD2-CB 3.88Å; L142-F221 HydrophobicContact CD1-CB 4.18Å; L142-F221 HydrophobicContact CD1-CD2 4.11Å; L142-F221 HydrophobicContact CD1-CG 4.43Å; L142-A290 HydrophobicContact CB-CB 4.16Å
143E96.8Very high93.1Very high67 Ų6735 Ų3531%0.31319%0.188SC..Hα-helixtrans-56.5-41.4174.4179.5177.3-116.300111.1L139 S147 A290 S291 L294L139-E143 WeakPolarHBondContact O-CB 3.36Å; L139-E143 PolarHBondContact O-N 3.1Å; E143-S147 VanDerWaalsContact O-CB 3.24Å; E143-S147 WeakPolarHBondContact O-CB 3.47Å; E143-S147 PolarHBondContact O-N 3.36Å; E143-S147 PolarHBondContact O-OG 3.08Å; E143-A290 HydrophobicContact CB-CB 3.91Å; E143-S291 WeakPolarHBondContact OE1-CA 3.3Å; E143-S291 WeakPolarHBondContact OE1-CB 3.26Å; E143-S291 PolarHBondContact OE1-OG 2.85Å; E143-L294 HydrophobicContact CB-CD1 4.5Å
144Y94.4Very high92.6Very high45 Ų4536 Ų3618%0.17619%0.193CC..Hα-helixtrans-61-48173.6176-100.3000112.3C78 N79 H80 V83 K140 G141 L142 S147 N148C78-Y144 WeakPolarHBondContact CA-OH 3.31Å; C78-Y144 HydrophobicContact CB-CE1 4.08Å; N79-Y144 PolarHBondContact N-OH 3.47Å; H80-Y144 HydrophobicContact CB-CD1 3.73Å; H80-Y144 HydrophobicContact CB-CD2 3.87Å; H80-Y144 HydrophobicContact CB-CE1 3.96Å; H80-Y144 HydrophobicContact CB-CE2 4.1Å; H80-Y144 HydrophobicContact CB-CG 3.67Å; H80-Y144 AromaticContact CD2-CD2 3.74Å; H80-Y144 AromaticContact CD2-CG 3.81Å; H80-Y144 AromaticContact CG-CD2 3.98Å; H80-Y144 AromaticContact CG-CG 3.71Å; V83-Y144 HydrophobicContact CG2-CD1 3.97Å; K140-Y144 PolarHBondContact O-N 3.16Å; G141-Y144 WeakPolarHBondContact O-CB 3.44Å; G141-Y144 PolarHBondContact O-N 3.03Å; L142-Y144 PolarHBondContact O-N 2.96Å; Y144-S147 PolarHBondContact O-OG 3.36Å; Y144-S147 VanDerWaalsContact O-OG 3.09Å; Y144-N148 WeakPolarHBondContact CE2-ND2 2.96Å; Y144-N148 PolarHBondContact O-N 3.34Å; Y144-N148 PolarHBondContact O-ND2 2.89Å
145F90.9Very high92.4Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-61.5-49.4176.7-69.6-55.6000111.9V83 G141 L142 S147 N148 G149 Q150 H152 V170 F173V83-F145 HydrophobicContact CB-CZ 4.21Å; V83-F145 HydrophobicContact CG1-CE1 4.05Å; V83-F145 HydrophobicContact CG1-CE2 4.43Å; V83-F145 HydrophobicContact CG1-CZ 3.53Å; V83-F145 HydrophobicContact CG2-CE1 4.2Å; V83-F145 HydrophobicContact CG2-CE2 3.76Å; V83-F145 HydrophobicContact CG2-CZ 3.57Å; G141-F145 WeakPolarHBondContact O-CD2 3.36Å; G141-F145 PolarHBondContact O-N 3.28Å; G141-F145 VanDerWaalsContact O-N 3.08Å; L142-F145 PolarHBondContact O-N 3.15Å; L142-F145 VanDerWaalsContact O-N 3.11Å; F145-S147 PolarHBondContact O-N 2.76Å; F145-N148 CarbonylContact O-C 3.59Å; F145-N148 PolarHBondContact O-N 3.35Å; F145-N148 VanDerWaalsContact O-N 3.08Å; F145-G149 PolarHBondContact O-N 3.38Å; F145-Q150 CarbonylContact C-O 3.5Å; F145-Q150 HydrophobicContact CB-CB 4.13Å; F145-Q150 HydrophobicContact CD1-CB 4.26Å; F145-Q150 WeakPolarHBondContact O-CA 3.32Å; F145-Q150 WeakPolarHBondContact O-CB 3.38Å; F145-Q150 PolarHBondContact O-N 3.31Å; F145-H152 HydrophobicContact CD2-CB 4.41Å; F145-H152 AromaticContact CE2-CD2 3.75Å; F145-V170 HydrophobicContact CE2-CB 4.39Å; F145-V170 HydrophobicContact CE2-CG1 4.23Å; F145-F173 HydrophobicContact CD1-CD1 4.29Å; F145-F173 AromaticContact CD1-CD2 3.73Å; F145-F173 HydrophobicContact CD1-CD2 3.73Å; F145-F173 HydrophobicContact CD1-CE1 4.2Å; F145-F173 AromaticContact CD1-CE2 3.64Å; F145-F173 HydrophobicContact CD1-CE2 3.64Å; F145-F173 HydrophobicContact CD1-CG 4.08Å; F145-F173 AromaticContact CD1-CZ 3.91Å; F145-F173 HydrophobicContact CD1-CZ 3.91Å; F145-F173 HydrophobicContact CE1-CB 3.95Å; F145-F173 AromaticContact CE1-CD1 3.51Å; F145-F173 HydrophobicContact CE1-CD1 3.51Å; F145-F173 AromaticContact CE1-CD2 3.39Å; F145-F173 HydrophobicContact CE1-CD2 3.39Å; F145-F173 AromaticContact CE1-CE1 3.85Å; F145-F173 HydrophobicContact CE1-CE1 3.85Å; F145-F173 AromaticContact CE1-CE2 3.74Å; F145-F173 HydrophobicContact CE1-CE2 3.74Å; F145-F173 AromaticContact CE1-CG 3.29Å; F145-F173 HydrophobicContact CE1-CG 3.29Å; F145-F173 AromaticContact CE1-CZ 3.97Å; F145-F173 HydrophobicContact CE1-CZ 3.97Å; F145-F173 HydrophobicContact CE2-CD2 4.28Å; F145-F173 HydrophobicContact CE2-CG 4.49Å; F145-F173 HydrophobicContact CG-CD2 4.32Å; F145-F173 HydrophobicContact CG-CE2 4.29Å; F145-F173 HydrophobicContact CZ-CB 3.66Å; F145-F173 HydrophobicContact CZ-CD1 4.14Å; F145-F173 AromaticContact CZ-CD2 3.68Å; F145-F173 HydrophobicContact CZ-CD2 3.68Å; F145-F173 HydrophobicContact CZ-CE2 4.44Å; F145-F173 AromaticContact CZ-CG 3.53Å; F145-F173 HydrophobicContact CZ-CG 3.53Å
146H92.1Very high92.1Very high22 Ų2237.6 Ų37.610%0.10220%0.2CC..Hα-helixtrans-66.1-39.4-173.2-60.8178.8000111.8L142 N148 G149 F214 D217L142-H146 WeakPolarHBondContact O-CB 3.34Å; L142-H146 PolarHBondContact O-CD2 3.38Å; L142-H146 VanDerWaalsContact O-CD2 3.25Å; L142-H146 PolarHBondContact O-N 2.9Å; H146-N148 PolarHBondContact O-N 2.9Å; H146-G149 PolarHBondContact O-N 3.09Å; H146-G149 VanDerWaalsContact O-N 3.09Å; H146-F214 HydrophobicContact CB-CB 4.28Å; H146-F214 HydrophobicContact CB-CD2 4.03Å; H146-F214 HydrophobicContact CB-CG 4.16Å; H146-F214 AromaticContact CE1-CD2 3.95Å; H146-F214 PolarHBondContact CE1-O 2.89Å; H146-F214 VanDerWaalsContact CE1-O 3.32Å; H146-F214 AromaticContact CG-CD2 3.72Å; H146-F214 AromaticContact CG-CG 3.95Å; H146-F214 AromaticContact ND1-CD2 3.46Å; H146-F214 WeakPolarHBondContact ND1-CD2 3.1Å; H146-F214 PolarHBondContact NE2-O 2.81Å; H146-D217 IonicContact CD2-OD2 3.15Å; H146-D217 IonicContact CE1-OD2 2.74Å; H146-D217 IonicContact NE2-OD2 2.69Å; H146-D217 PolarHBondContact NE2-OD2 3.41Å
147S91.9Very high91.9Very high90 Ų9034.2 Ų34.263%0.62919%0.186SC*.Hα-helixtrans-67-23175.658.70000113.6E143 Y144 F145E143-S147 VanDerWaalsContact O-CB 3.24Å; E143-S147 WeakPolarHBondContact O-CB 3.47Å; E143-S147 PolarHBondContact O-N 3.36Å; E143-S147 PolarHBondContact O-OG 3.08Å; Y144-S147 PolarHBondContact O-OG 3.36Å; Y144-S147 VanDerWaalsContact O-OG 3.09Å; F145-S147 PolarHBondContact O-N 2.76Å
148N86.4Confident91.5Very high89 Ų8933.2 Ų33.248%0.47619%0.186SC..THydrogen-bonded Turntrans-94.111.9173.5-70-67.4000113.1Y144 F145 H146 Q150Y144-N148 WeakPolarHBondContact CE2-ND2 2.96Å; Y144-N148 PolarHBondContact O-N 3.34Å; Y144-N148 PolarHBondContact O-ND2 2.89Å; F145-N148 CarbonylContact O-C 3.59Å; F145-N148 PolarHBondContact O-N 3.35Å; F145-N148 VanDerWaalsContact O-N 3.08Å; H146-N148 PolarHBondContact O-N 2.9Å; N148-Q150 HydrophobicContact CB-CG 4.33Å; N148-Q150 PolarHBondContact O-N 3.06Å
149G83.3Confident91.2Very high66 Ų6633.7 Ų33.768%0.6819%0.189SC*.THydrogen-bonded Turntrans70.818.9179.600000114.1F145 H146F145-G149 PolarHBondContact O-N 3.38Å; H146-G149 PolarHBondContact O-N 3.09Å; H146-G149 VanDerWaalsContact O-N 3.09Å
150Q83.4Confident91.1Very high68 Ų6833.7 Ų33.732%0.31819%0.189SC..  trans-101.7152.6-178.3-59.5-59.9-3100111.4F145 N148 F173F145-Q150 CarbonylContact C-O 3.5Å; F145-Q150 HydrophobicContact CB-CB 4.13Å; F145-Q150 HydrophobicContact CD1-CB 4.26Å; F145-Q150 WeakPolarHBondContact O-CA 3.32Å; F145-Q150 WeakPolarHBondContact O-CB 3.38Å; F145-Q150 PolarHBondContact O-N 3.31Å; N148-Q150 HydrophobicContact CB-CG 4.33Å; N148-Q150 PolarHBondContact O-N 3.06Å; Q150-F173 HydrophobicContact CB-CE2 3.93Å; Q150-F173 HydrophobicContact CB-CZ 3.64Å; Q150-F173 HydrophobicContact CG-CZ 3.87Å
151I85Confident90.9Very high27 Ų2732.4 Ų32.414%0.13819%0.185CC..  trans-125.2130.3176.4-47.9171.7000108.2R153 Y212 F214I151-R153 HydrophobicContact CB-CG 4.14Å; I151-R153 HydrophobicContact CG2-CG 3.76Å; I151-Y212 HydrophobicContact CD1-CD2 4.28Å; I151-Y212 HydrophobicContact CD1-CE2 4.21Å; I151-Y212 HydrophobicContact CG2-CE2 4.05Å; I151-F214 HydrophobicContact CG1-CB 4.14Å
152H87.2Confident90.7Very high0 Ų032.5 Ų32.50%019%0.186CC..  trans-75.8-41.2-176.7-174-83.3000113.4L142 F145 D154 I155 V170 A171 F173 D217L142-H152 HydrophobicContact CD2-CB 4.23Å; F145-H152 HydrophobicContact CD2-CB 4.41Å; F145-H152 AromaticContact CE2-CD2 3.75Å; H152-D154 PolarHBondContact CE1-O 2.84Å; H152-D154 PolarHBondContact ND1-N 3.42Å; H152-D154 PolarHBondContact O-N 3.05Å; H152-I155 HydrophobicContact CB-CD1 3.97Å; H152-I155 HydrophobicContact CB-CG1 4.08Å; H152-I155 WeakPolarHBondContact ND1-CD1 3.27Å; H152-V170 WeakPolarHBondContact NE2-CG1 3.15Å; H152-A171 PolarHBondContact CE1-O 3.01Å; H152-A171 PolarHBondContact NE2-O 3.24Å; H152-F173 AromaticContact CD2-CD2 3.92Å; H152-D217 WeakPolarHBondContact CB-OD2 3.29Å; H152-D217 PolarHBondContact N-OD1 3.36Å; H152-D217 PolarHBondContact N-OD2 3.38Å
153R85.4Confident90.4Very high76 Ų7633 Ų3329%0.28719%0.189SC..  trans70.5-18.4174.2-50.7175.5179.1165.94.7117.1I151 A177 T181 Y212 D217I151-R153 HydrophobicContact CB-CG 4.14Å; I151-R153 HydrophobicContact CG2-CG 3.76Å; R153-A177 HydrophobicContact CB-CB 4.16Å; R153-A177 WeakPolarHBondContact CD-O 3.37Å; R153-A177 HydrophobicContact CG-CB 4.12Å; R153-A177 PolarHBondContact NH1-O 3.04Å; R153-T181 VanDerWaalsContact NH1-CG2 3.35Å; R153-T181 PolarHBondContact NH1-OG1 3.49Å; R153-Y212 WeakPolarHBondContact CD-OH 3.4Å; R153-Y212 HydrophobicContact CG-CE2 4.04Å; R153-Y212 VanDerWaalsContact CG-OH 3.27Å; R153-Y212 WeakPolarHBondContact CG-OH 3.16Å; R153-Y212 PolarHBondContact NE-OH 3.49Å; R153-Y212 VanDerWaalsContact NE-OH 3.14Å; R153-D217 PolarHBondContact N-OD1 2.89Å
154D86.8Confident90Very high23 Ų2335.2 Ų35.212%0.12320%0.2CC..  trans-130.549.4-179.3-162.327.2000113.1H152 K156 N159H152-D154 PolarHBondContact CE1-O 2.84Å; H152-D154 PolarHBondContact ND1-N 3.42Å; H152-D154 PolarHBondContact O-N 3.05Å; D154-K156 PolarHBondContact O-N 3.14Å; D154-K156 WeakPolarHBondContact OD1-CE 3.26Å; D154-K156 IonicContact OD1-NZ 2.6Å; D154-K156 PolarHBondContact OD1-NZ 3.47Å; D154-K156 WeakPolarHBondContact OD2-CE 3.31Å; D154-K156 IonicContact OD2-NZ 3.36Å; D154-K156 PolarHBondContact OD2-NZ 3.29Å; D154-N159 PolarHBondContact O-ND2 3.02Å; D154-N159 PolarHBondContact OD2-ND2 3.45Å
155I93.9Very high89.8Confident0 Ų036.5 Ų36.50%021%0.21CC..  trans-76.3115.8176.6-63.5-66.9000110.3L142 H152 V170 W200 D217 L224L142-I155 HydrophobicContact CD2-CD1 3.69Å; L142-I155 HydrophobicContact CD2-CG1 3.92Å; L142-I155 HydrophobicContact CG-CD1 4.36Å; H152-I155 HydrophobicContact CB-CD1 3.97Å; H152-I155 HydrophobicContact CB-CG1 4.08Å; H152-I155 WeakPolarHBondContact ND1-CD1 3.27Å; I155-V170 HydrophobicContact CD1-CG1 3.8Å; I155-W200 VanDerWaalsContact O-CD1 3.29Å; I155-D217 HydrophobicContact CG1-CB 4.44Å; I155-L224 HydrophobicContact CG2-CB 4.4Å; I155-L224 HydrophobicContact CG2-CD2 3.91Å
156K93.3Very high89.8Confident35 Ų3536.5 Ų36.515%0.15221%0.21CC..SBendtrans-163.2164177.463.6-166.6179-150.20110.3D154 G158 N159 T197 W200D154-K156 PolarHBondContact O-N 3.14Å; D154-K156 WeakPolarHBondContact OD1-CE 3.26Å; D154-K156 IonicContact OD1-NZ 2.6Å; D154-K156 PolarHBondContact OD1-NZ 3.47Å; D154-K156 WeakPolarHBondContact OD2-CE 3.31Å; D154-K156 IonicContact OD2-NZ 3.36Å; D154-K156 PolarHBondContact OD2-NZ 3.29Å; K156-G158 PolarHBondContact O-N 3.41Å; K156-G158 VanDerWaalsContact O-N 3.1Å; K156-N159 HydrophobicContact CG-CB 4.44Å; K156-N159 PolarHBondContact O-N 2.88Å; K156-T197 PolarHBondContact NZ-OG1 3.11Å; K156-W200 HydrophobicContact CB-CD2 3.88Å; K156-W200 HydrophobicContact CB-CG 3.96Å; K156-W200 HydrophobicContact CB-CZ2 4.28Å
157S93.8Very high89.9Confident1 Ų137 Ų371%0.00721%0.214CC..G310 helixtrans-57.1-31.5-175.7690000113.9L108 L109 N159 I160 E227L108-S157 PolarHBondContact N-O 2.84Å; L109-S157 WeakPolarHBondContact CA-OG 3.34Å; L109-S157 WeakPolarHBondContact CB-OG 3.19Å; L109-S157 PolarHBondContact N-O 3.12Å; S157-N159 PolarHBondContact O-N 3.25Å; S157-I160 PolarHBondContact O-N 2.92Å; S157-E227 VanDerWaalsContact CB-CD 3.41Å; S157-E227 VanDerWaalsContact CB-OE1 3.22Å; S157-E227 WeakPolarHBondContact CB-OE1 3.29Å; S157-E227 WeakPolarHBondContact CB-OE2 3.14Å; S157-E227 PolarHBondContact N-OE2 2.86Å; S157-E227 PolarHBondContact OG-OE1 3.3Å
158G90.4Very high90.1Very high21 Ų2132.7 Ų32.722%0.21618%0.184CC..G310 helixtrans-65.1-23.3176.900000114.6S107 K156S107-G158 WeakPolarHBondContact CB-O 3.4Å; K156-G158 PolarHBondContact O-N 3.41Å; K156-G158 VanDerWaalsContact O-N 3.1Å
159N92.2Very high90.5Very high12 Ų1228.7 Ų28.76%0.06416%0.163CC..G310 helixtrans-103.66.8179-69.1-10.8000112.8D154 K156 S157 A171D154-N159 PolarHBondContact O-ND2 3.02Å; D154-N159 PolarHBondContact OD2-ND2 3.45Å; K156-N159 HydrophobicContact CG-CB 4.44Å; K156-N159 PolarHBondContact O-N 2.88Å; S157-N159 PolarHBondContact O-N 3.25Å; N159-A171 PolarHBondContact O-N 3.36Å
160I95.5Very high91Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-104112.7172-50.3-52.4000107.9S107 L108 V138 S157 I168 V170 L224S107-I160 CarbonylContact C-O 3.52Å; S107-I160 VanDerWaalsContact CA-O 3.3Å; S107-I160 WeakPolarHBondContact CA-O 3.47Å; L108-I160 HydrophobicContact CB-CB 4.38Å; L108-I160 HydrophobicContact CD1-CB 3.73Å; L108-I160 HydrophobicContact CD1-CG1 4.39Å; L108-I160 HydrophobicContact CD1-CG2 3.45Å; L108-I160 VanDerWaalsContact CD1-CG2 3.45Å; L108-I160 HydrophobicContact CG-CB 3.86Å; L108-I160 HydrophobicContact CG-CG2 3.79Å; L108-I160 PolarHBondContact N-O 2.9Å; V138-I160 HydrophobicContact CG1-CD1 4.04Å; V138-I160 HydrophobicContact CG2-CD1 3.89Å; V138-I160 HydrophobicContact CG2-CG1 4.18Å; V138-I160 HydrophobicContact CG2-CG2 3.84Å; S157-I160 PolarHBondContact O-N 2.92Å; I160-I168 HydrophobicContact CG2-CG2 3.49Å; I160-I168 VanDerWaalsContact CG2-CG2 3.49Å; I160-V170 HydrophobicContact CD1-CG1 4.35Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å; I160-L224 HydrophobicContact CD1-CD2 4.31Å; I160-L224 HydrophobicContact CG1-CD2 3.96Å
161L94Very high91.3Very high39 Ų3922.6 Ų22.620%0.20412%0.118CC..EExtended strand (participates in β ladder)trans-104.3142.5-173.8-59.7-173.6000111.4V84 L103 G106 I168 Q169 A171V84-L161 HydrophobicContact CG2-CD1 4.19Å; L103-L161 HydrophobicContact CB-CB 4.09Å; L103-L161 HydrophobicContact CB-CD1 4.37Å; L103-L161 HydrophobicContact CD1-CB 3.34Å; L103-L161 HydrophobicContact CD1-CD1 3.83Å; L103-L161 HydrophobicContact CD1-CG 4.21Å; L103-L161 HydrophobicContact CG-CB 4.36Å; G106-L161 WeakPolarHBondContact O-CA 3.29Å; L161-I168 WeakPolarHBondContact O-CA 3.48Å; L161-Q169 PolarHBondContact N-O 2.75Å; L161-Q169 PolarHBondContact O-N 3.26Å; L161-A171 HydrophobicContact CD1-CB 3.56Å; L161-A171 HydrophobicContact CG-CB 3.77Å
162L92.4Very high91Very high2 Ų222.9 Ų22.91%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-106.2130.1178.9178.264.2000110.1G105 G106 I168 L312 I313G105-L162 CarbonylContact C-O 3.52Å; G105-L162 WeakPolarHBondContact CA-O 3.35Å; G105-L162 PolarHBondContact N-O 2.73Å; G106-L162 PolarHBondContact O-N 3.29Å; L162-I168 HydrophobicContact CB-CD1 4.35Å; L162-I168 HydrophobicContact CD1-CD1 3.57Å; L162-L312 HydrophobicContact CD2-CB 4.24Å; L162-L312 HydrophobicContact CD2-CD1 4.41Å; L162-I313 HydrophobicContact CD2-CD1 4.01Å; L162-I313 HydrophobicContact CD2-CG1 3.81Å; L162-I313 HydrophobicContact CG-CD1 4.33Å
163A90Very high90.2Very high9 Ų923 Ų237%0.07412%0.12CC..  trans-86.515816700000111L103 D165 G166 T167L103-A163 HydrophobicContact CD2-CB 3.67Å; A163-D165 WeakPolarHBondContact CB-OD1 3.11Å; A163-D165 PolarHBondContact O-N 2.83Å; A163-D165 VanDerWaalsContact O-N 3.15Å; A163-G166 PolarHBondContact O-N 2.87Å; A163-T167 PolarHBondContact N-O 2.87Å
164E87.2Confident89.2Confident115 Ų11519.4 Ų19.454%0.53711%0.107SC..THydrogen-bonded Turntrans-55.7-30174.4-77.3170.3-160.100113.6S104 G166S104-E164 VanDerWaalsContact CB-OE1 3.28Å; S104-E164 WeakPolarHBondContact CB-OE1 3.35Å; S104-E164 VanDerWaalsContact OG-CG 3.28Å; S104-E164 WeakPolarHBondContact OG-CG 3.23Å; S104-E164 PolarHBondContact OG-OE1 3.29Å; E164-G166 VanDerWaalsContact C-N 3.26Å; E164-G166 PolarHBondContact O-N 2.81Å
165D90.2Very high87.9Confident71 Ų7118.4 Ų18.438%0.3810%0.102SC..THydrogen-bonded Turntrans-85.86.7179.584.3-34.9000114A163 T167 K305 V309A163-D165 WeakPolarHBondContact CB-OD1 3.11Å; A163-D165 PolarHBondContact O-N 2.83Å; A163-D165 VanDerWaalsContact O-N 3.15Å; D165-T167 VanDerWaalsContact CG-OG1 3.25Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 2.83Å; D165-T167 PolarHBondContact OD1-OG1 3.48Å; D165-T167 PolarHBondContact OD2-OG1 2.91Å; D165-T167 VanDerWaalsContact OD2-OG1 3.13Å; D165-K305 WeakPolarHBondContact O-CD 3.02Å; D165-K305 IonicContact OD2-NZ 3.98Å; D165-K305 PolarHBondContact OD2-NZ 2.88Å; D165-V309 VanDerWaalsContact C-CG2 3.48Å
166G91.8Very high86.1Confident1 Ų119.5 Ų19.51%0.0111%0.109CC..SBendtrans85.34.9-177.800000114.6A163 E164 L308A163-G166 PolarHBondContact O-N 2.87Å; E164-G166 VanDerWaalsContact C-N 3.26Å; E164-G166 PolarHBondContact O-N 2.81Å; G166-L308 WeakPolarHBondContact O-CD1 3.38Å
167T94.1Very high84.1Confident31 Ų3117.9 Ų17.919%0.1910%0.102CC..  trans-67.9135.5175.7-58.60000110.9A163 D165 Q169A163-T167 PolarHBondContact N-O 2.87Å; D165-T167 VanDerWaalsContact CG-OG1 3.25Å; D165-T167 WeakPolarHBondContact OD1-CB 3.47Å; D165-T167 PolarHBondContact OD1-N 2.83Å; D165-T167 PolarHBondContact OD1-OG1 3.48Å; D165-T167 PolarHBondContact OD2-OG1 2.91Å; D165-T167 VanDerWaalsContact OD2-OG1 3.13Å; T167-Q169 HydrophobicContact CG2-CG 3.99Å
168I95.8Very high82.4Confident1 Ų119.5 Ų19.51%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-105.8127.6175.1-59.7-60.3000109.5N82 L134 E137 V138 I160 L161 L162 L308N82-I168 WeakPolarHBondContact CA-O 3.19Å; N82-I168 PolarHBondContact ND2-O 2.76Å; L134-I168 HydrophobicContact CD2-CD1 3.37Å; L134-I168 HydrophobicContact CD2-CG1 3.79Å; E137-I168 HydrophobicContact CB-CB 3.72Å; E137-I168 HydrophobicContact CB-CG1 4.28Å; E137-I168 HydrophobicContact CB-CG2 4.09Å; E137-I168 HydrophobicContact CG-CB 4.32Å; E137-I168 HydrophobicContact CG-CG1 4.49Å; V138-I168 HydrophobicContact CG2-CG2 4.13Å; I160-I168 HydrophobicContact CG2-CG2 3.49Å; I160-I168 VanDerWaalsContact CG2-CG2 3.49Å; L161-I168 WeakPolarHBondContact O-CA 3.48Å; L162-I168 HydrophobicContact CB-CD1 4.35Å; L162-I168 HydrophobicContact CD1-CD1 3.57Å; I168-L308 HydrophobicContact CD1-CD1 4.11Å; I168-L308 HydrophobicContact CG1-CD1 3.69Å
169Q94.9Very high80.6Confident4 Ų420 Ų202%0.01911%0.106CC..EExtended strand (participates in β ladder)trans-129138.4176.7-52.3-161.3-64.200111.3P81 N82 V83 V84 L103 L161 T167P81-Q169 WeakPolarHBondContact O-CG 3.24Å; P81-Q169 PolarHBondContact O-NE2 2.81Å; N82-Q169 WeakPolarHBondContact O-CA 3.43Å; V83-Q169 PolarHBondContact O-NE2 3.11Å; V84-Q169 HydrophobicContact CG2-CB 3.8Å; L103-Q169 HydrophobicContact CD1-CB 3.86Å; L103-Q169 HydrophobicContact CD1-CG 4.11Å; L161-Q169 PolarHBondContact N-O 2.75Å; L161-Q169 PolarHBondContact O-N 3.26Å; T167-Q169 HydrophobicContact CG2-CG 3.99Å
170V94Very high78.5Confident1 Ų121.4 Ų21.41%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-82125.4171.7-174.20000108.7N82 V84 V138 F145 H152 I155 I160N82-V170 PolarHBondContact O-N 2.91Å; V84-V170 PolarHBondContact N-O 2.78Å; V138-V170 HydrophobicContact CG1-CG2 4.27Å; F145-V170 HydrophobicContact CE2-CB 4.39Å; F145-V170 HydrophobicContact CE2-CG1 4.23Å; H152-V170 WeakPolarHBondContact NE2-CG1 3.15Å; I155-V170 HydrophobicContact CD1-CG1 3.8Å; I160-V170 HydrophobicContact CD1-CG1 4.35Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å
171A88.6Confident76.2Confident6 Ų623.6 Ų23.65%0.0513%0.133CC..  trans-108.2171.3-177.900000112V84 H152 N159 L161 F173V84-A171 HydrophobicContact CG2-CB 3.7Å; H152-A171 PolarHBondContact CE1-O 3.01Å; H152-A171 PolarHBondContact NE2-O 3.24Å; N159-A171 PolarHBondContact O-N 3.36Å; L161-A171 HydrophobicContact CD1-CB 3.56Å; L161-A171 HydrophobicContact CG-CB 3.77Å; A171-F173 VanDerWaalsContact C-N 3.26Å; A171-F173 PolarHBondContact O-N 3.49Å
172D79.1Confident73.9Confident32 Ų3223.7 Ų23.717%0.17114%0.143CC..  trans65.720.3172.1-87.912.3000116.6K54 S176K54-D172 IonicContact NZ-OD1 3.9Å; K54-D172 PolarHBondContact NZ-OD1 2.81Å; K54-D172 IonicContact NZ-OD2 3.48Å; K54-D172 PolarHBondContact NZ-OD2 3.33Å; D172-S176 PolarHBondContact OD2-OG 3.31Å
173F71.9Confident71.5Confident2 Ų224.3 Ų24.31%0.00915%0.149CC..THydrogen-bonded Turntrans-60.4147.2166.4-177.4-107.9000111.8M75 Y86 F145 Q150 H152 A171 V175M75-F173 VanDerWaalsContact CE-O 3.26Å; M75-F173 WeakPolarHBondContact CE-O 3.48Å; M75-F173 HydrophobicContact CG-CD1 3.97Å; M75-F173 HydrophobicContact CG-CE1 4.43Å; Y86-F173 PolarHBondContact OH-N 3.28Å; Y86-F173 PolarHBondContact OH-O 3.08Å; F145-F173 HydrophobicContact CD1-CD1 4.29Å; F145-F173 AromaticContact CD1-CD2 3.73Å; F145-F173 HydrophobicContact CD1-CD2 3.73Å; F145-F173 HydrophobicContact CD1-CE1 4.2Å; F145-F173 AromaticContact CD1-CE2 3.64Å; F145-F173 HydrophobicContact CD1-CE2 3.64Å; F145-F173 HydrophobicContact CD1-CG 4.08Å; F145-F173 AromaticContact CD1-CZ 3.91Å; F145-F173 HydrophobicContact CD1-CZ 3.91Å; F145-F173 HydrophobicContact CE1-CB 3.95Å; F145-F173 AromaticContact CE1-CD1 3.51Å; F145-F173 HydrophobicContact CE1-CD1 3.51Å; F145-F173 AromaticContact CE1-CD2 3.39Å; F145-F173 HydrophobicContact CE1-CD2 3.39Å; F145-F173 AromaticContact CE1-CE1 3.85Å; F145-F173 HydrophobicContact CE1-CE1 3.85Å; F145-F173 AromaticContact CE1-CE2 3.74Å; F145-F173 HydrophobicContact CE1-CE2 3.74Å; F145-F173 AromaticContact CE1-CG 3.29Å; F145-F173 HydrophobicContact CE1-CG 3.29Å; F145-F173 AromaticContact CE1-CZ 3.97Å; F145-F173 HydrophobicContact CE1-CZ 3.97Å; F145-F173 HydrophobicContact CE2-CD2 4.28Å; F145-F173 HydrophobicContact CE2-CG 4.49Å; F145-F173 HydrophobicContact CG-CD2 4.32Å; F145-F173 HydrophobicContact CG-CE2 4.29Å; F145-F173 HydrophobicContact CZ-CB 3.66Å; F145-F173 HydrophobicContact CZ-CD1 4.14Å; F145-F173 AromaticContact CZ-CD2 3.68Å; F145-F173 HydrophobicContact CZ-CD2 3.68Å; F145-F173 HydrophobicContact CZ-CE2 4.44Å; F145-F173 AromaticContact CZ-CG 3.53Å; F145-F173 HydrophobicContact CZ-CG 3.53Å; Q150-F173 HydrophobicContact CB-CE2 3.93Å; Q150-F173 HydrophobicContact CB-CZ 3.64Å; Q150-F173 HydrophobicContact CG-CZ 3.87Å; H152-F173 AromaticContact CD2-CD2 3.92Å; A171-F173 VanDerWaalsContact C-N 3.26Å; A171-F173 PolarHBondContact O-N 3.49Å; F173-V175 PolarHBondContact O-N 3.48Å; F173-V175 VanDerWaalsContact O-N 3.08Å
174G64.4Low69.1Low1 Ų127.9 Ų27.91%0.0117%0.167CC..THydrogen-bonded Turntrans81.5-69.4175.500000114.4A177 W178G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 2.98Å; G174-W178 VanDerWaalsContact O-CB 3.29Å; G174-W178 WeakPolarHBondContact O-CB 3.19Å; G174-W178 PolarHBondContact O-N 2.89Å
175V58.9Low66.9Low3 Ų329.9 Ų29.92%0.01818%0.181CC..Hα-helixtrans-68-46.5-172.3-178.70000112.2I56 M75 F173 W178 L179I56-V175 HydrophobicContact CD1-CB 4.4Å; I56-V175 HydrophobicContact CD1-CG1 3.62Å; I56-V175 HydrophobicContact CD1-CG2 3.93Å; I56-V175 HydrophobicContact CG1-CG1 4.3Å; M75-V175 HydrophobicContact CE-CG2 3.99Å; M75-V175 HydrophobicContact SD-CG2 3.81Å; F173-V175 PolarHBondContact O-N 3.48Å; F173-V175 VanDerWaalsContact O-N 3.08Å; V175-W178 PolarHBondContact O-N 3.32Å; V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.46Å; V175-L179 WeakPolarHBondContact O-CB 3.35Å; V175-L179 WeakPolarHBondContact O-CG 3.22Å; V175-L179 PolarHBondContact O-N 2.93Å
176S55.4Low64.2Low22 Ų2230.6 Ų30.615%0.15419%0.192CC..Hα-helixtrans-71.4-37.7179.1-57.10000110.8D172 W178 A180D172-S176 PolarHBondContact OD2-OG 3.31Å; S176-W178 VanDerWaalsContact C-N 3.34Å; S176-W178 PolarHBondContact O-N 3.16Å; S176-A180 WeakPolarHBondContact O-CB 2.89Å; S176-A180 PolarHBondContact O-N 3.25Å
177A52Low61.5Low2 Ų240.5 Ų40.52%0.01723%0.229CC..Hα-helixtrans-56.2-44.5172.700000112.9R153 G174 T181R153-A177 HydrophobicContact CB-CB 4.16Å; R153-A177 WeakPolarHBondContact CD-O 3.37Å; R153-A177 HydrophobicContact CG-CB 4.12Å; R153-A177 PolarHBondContact NH1-O 3.04Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 2.98Å; A177-T181 PolarHBondContact O-N 3.09Å; A177-T181 PolarHBondContact O-OG1 3.03Å
178W57.5Low58.5Low34 Ų3448 Ų4813%0.12926%0.261CS..Hα-helixtrans-72.2-49.2179.8-173.2-92.2000112.1T63 E67 E71 G174 V175 S176 A180 T181 G182T63-W178 PolarHBondContact OG1-NE1 3.22Å; E67-W178 HydrophobicContact CB-CH2 4.05Å; E67-W178 HydrophobicContact CB-CZ2 3.42Å; E67-W178 VanDerWaalsContact CB-CZ2 3.42Å; E67-W178 HydrophobicContact CG-CH2 3.97Å; E67-W178 HydrophobicContact CG-CZ2 3.52Å; E71-W178 VanDerWaalsContact CD-CE3 3.43Å; E71-W178 HydrophobicContact CG-CB 4.14Å; E71-W178 HydrophobicContact CG-CD2 3.77Å; E71-W178 HydrophobicContact CG-CE3 3.4Å; E71-W178 VanDerWaalsContact CG-CE3 3.4Å; E71-W178 HydrophobicContact CG-CG 4.09Å; E71-W178 HydrophobicContact CG-CZ3 4.04Å; E71-W178 VanDerWaalsContact OE1-CZ3 3.23Å; E71-W178 WeakPolarHBondContact OE1-CZ3 3.44Å; G174-W178 VanDerWaalsContact O-CB 3.29Å; G174-W178 WeakPolarHBondContact O-CB 3.19Å; G174-W178 PolarHBondContact O-N 2.89Å; V175-W178 PolarHBondContact O-N 3.32Å; S176-W178 VanDerWaalsContact C-N 3.34Å; S176-W178 PolarHBondContact O-N 3.16Å; W178-A180 VanDerWaalsContact C-N 3.27Å; W178-A180 PolarHBondContact O-N 3.23Å; W178-T181 PolarHBondContact O-N 3.25Å; W178-T181 VanDerWaalsContact O-N 3.1Å; W178-T181 PolarHBondContact O-OG1 3.47Å; W178-T181 VanDerWaalsContact O-OG1 3.08Å; W178-G182 PolarHBondContact O-N 3.35Å; W178-G182 VanDerWaalsContact O-N 3.12Å
179L52.7Low55.3Low33 Ų3356.7 Ų56.717%0.17330%0.299CS..Hα-helixtrans-61.7-35.1179.8-69.5173.8000112.2T36 C61 V175T36-L179 HydrophobicContact CG2-CD1 4.12Å; T36-L179 VanDerWaalsContact OG1-CD1 3.27Å; T36-L179 WeakPolarHBondContact OG1-CD1 3.41Å; C61-L179 HydrophobicContact CB-CD2 4.35Å; V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.46Å; V175-L179 WeakPolarHBondContact O-CB 3.35Å; V175-L179 WeakPolarHBondContact O-CG 3.22Å; V175-L179 PolarHBondContact O-N 2.93Å
180A47.8Very low52.2Low40 Ų4063.2 Ų63.233%0.33134%0.339SS..Hα-helixtrans-70.2-31.4175.500000113.2S176 W178 V195S176-A180 WeakPolarHBondContact O-CB 2.89Å; S176-A180 PolarHBondContact O-N 3.25Å; W178-A180 VanDerWaalsContact C-N 3.27Å; W178-A180 PolarHBondContact O-N 3.23Å; A180-V195 WeakPolarHBondContact CA-O 3.48Å; A180-V195 WeakPolarHBondContact CB-O 3.39Å
181T47.4Very low49.2Very low47 Ų4769.2 Ų69.229%0.28836%0.362SS..Hα-helixtrans-91.5-1.4179.548.30000115.1R153 A177 W178 G183 Y212R153-T181 VanDerWaalsContact NH1-CG2 3.35Å; R153-T181 PolarHBondContact NH1-OG1 3.49Å; A177-T181 PolarHBondContact O-N 3.09Å; A177-T181 PolarHBondContact O-OG1 3.03Å; W178-T181 PolarHBondContact O-N 3.25Å; W178-T181 VanDerWaalsContact O-N 3.1Å; W178-T181 PolarHBondContact O-OG1 3.47Å; W178-T181 VanDerWaalsContact O-OG1 3.08Å; T181-G183 PolarHBondContact O-N 2.87Å; T181-Y212 HydrophobicContact CG2-CE1 4.27Å; T181-Y212 WeakPolarHBondContact CG2-OH 3.27Å
182G45.5Very low46.6Very low41 Ų4175.2 Ų75.242%0.42339%0.388SS..THydrogen-bonded Turntrans72.115168.100000117.2W178W178-G182 PolarHBondContact O-N 3.35Å; W178-G182 VanDerWaalsContact O-N 3.12Å
183G42.9Very low44.5Very low14 Ų1478.1 Ų78.114%0.14441%0.407CS..SBendtrans62.7111.9174.800000114.2T181T181-G183 PolarHBondContact O-N 2.87Å
184D39.9Very low42.7Very low84 Ų8481.5 Ų81.545%0.44942%0.422SS..  trans5997.6177.9-155.5-11.1000115.2S186 R187D184-S186 PolarHBondContact O-N 2.76Å; D184-S186 VanDerWaalsContact OD1-CB 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.48Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 VanDerWaalsContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.9Å; D184-S186 PolarHBondContact OD2-OG 3.01Å; D184-R187 PolarHBondContact O-N 3.37Å
185L39.4Very low41.4Very low158 Ų15885.1 Ų85.183%0.82744%0.444SS*.THydrogen-bonded Turntrans-54.4-12.8172.1-78.1149.6000113.5
186S34.3Very low40.9Very low86 Ų8686.6 Ų86.660%0.60146%0.459SS*.THydrogen-bonded Turntrans-82.2-15176.176.20000114.3D184 Q188D184-S186 PolarHBondContact O-N 2.76Å; D184-S186 VanDerWaalsContact OD1-CB 3.31Å; D184-S186 WeakPolarHBondContact OD1-CB 3.48Å; D184-S186 PolarHBondContact OD1-N 3.24Å; D184-S186 VanDerWaalsContact OD1-N 3.13Å; D184-S186 PolarHBondContact OD1-OG 2.9Å; D184-S186 PolarHBondContact OD2-OG 3.01Å; S186-Q188 PolarHBondContact O-N 3.26Å; S186-Q188 VanDerWaalsContact O-N 3.17Å
187R34.3Very low41.3Very low209 Ų20987.9 Ų87.979%0.78947%0.467SS*.  trans-92.673.4176.8-78.6-173.2160.2-173-3.4111.6D184 K189D184-R187 PolarHBondContact O-N 3.37Å; R187-K189 PolarHBondContact O-N 3.28Å
188Q31.5Very low42.4Very low188 Ų18888.2 Ų88.288%0.87947%0.469SS*.  trans-63.224.9179.3-142.2173.39.900115.7S186S186-Q188 PolarHBondContact O-N 3.26Å; S186-Q188 VanDerWaalsContact O-N 3.17Å
189K30Very low43.4Very low184 Ų18487.3 Ų87.380%0.847%0.467SS*.SBendtrans-141.2122.9-177.4-68-175176.9179.60111.3R187R187-K189 PolarHBondContact O-N 3.28Å
190V29.4Very low45Very low140 Ų14087.2 Ų87.285%0.84847%0.465SS*.SBendtrans92.330.9155.7-1470000119.7
191R30.4Very low46.6Very low128 Ų12886.7 Ų86.748%0.48346%0.456SS..  trans-145106.6157.2-65.7-169.6-168.6145.816.2113.2N62N62-R191 VanDerWaalsContact CB-CZ 3.43Å; N62-R191 PolarHBondContact ND2-NH2 3.15Å; N62-R191 VanDerWaalsContact O-CZ 3.31Å; N62-R191 PolarHBondContact O-NH1 2.87Å; N62-R191 PolarHBondContact O-NH2 2.55Å; N62-R191 PolarHBondContact OD1-NH2 3.2Å
192H33.7Very low47.9Very low132 Ų13284.5 Ų84.561%0.61144%0.443SS*.  trans-97.613.1165.8-83.2-62.3000112.8F194H192-F194 PolarHBondContact O-N 3.09Å; H192-F194 VanDerWaalsContact O-N 3.15Å
193T34.6Very low49.4Very low93 Ų9382.8 Ų82.857%0.57142%0.424SS*.  trans-72.1109.1172.831.60000109.5V195T193-V195 VanDerWaalsContact C-N 3.32Å; T193-V195 PolarHBondContact O-N 2.75Å
194F34.9Very low51.1Low73 Ų7382.9 Ų82.932%0.3242%0.421SS..  trans-6989.6173.4-165.3-89.6000109H192 G196 P198 M201 M206H192-F194 PolarHBondContact O-N 3.09Å; H192-F194 VanDerWaalsContact O-N 3.15Å; F194-G196 PolarHBondContact O-N 3.42Å; F194-P198 HydrophobicContact CD1-CB 4.47Å; F194-P198 HydrophobicContact CE1-CB 3.6Å; F194-P198 HydrophobicContact CE1-CG 4.47Å; F194-P198 HydrophobicContact CZ-CB 4.15Å; F194-M201 HydrophobicContact CD1-SD 4.33Å; F194-M201 HydrophobicContact CE1-CE 3.8Å; F194-M201 HydrophobicContact CE1-SD 3.22Å; F194-M201 WeakPolarHBondContact CE1-SD 3.32Å; F194-M201 HydrophobicContact CE2-CE 3.7Å; F194-M201 HydrophobicContact CE2-SD 4.24Å; F194-M201 HydrophobicContact CZ-CE 3.2Å; F194-M201 HydrophobicContact CZ-SD 3.19Å; F194-M201 WeakPolarHBondContact CZ-SD 3.46Å; F194-M206 HydrophobicContact CZ-CG 4.38Å
195V36.6Very low52.6Low76 Ų7680 Ų8046%0.46141%0.406SS..  trans-87.6105.2175.1-176.60000107.6A180 T193A180-V195 WeakPolarHBondContact CA-O 3.48Å; A180-V195 WeakPolarHBondContact CB-O 3.39Å; T193-V195 VanDerWaalsContact C-N 3.32Å; T193-V195 PolarHBondContact O-N 2.75Å
196G48.4Very low54.2Low34 Ų3473.1 Ų73.135%0.35137%0.37SS..SBendtrans162.9162-178.500000110.9F194 P198F194-G196 PolarHBondContact O-N 3.42Å; G196-P198 WeakPolarHBondContact O-CD 3.45Å
197T64.8Low55.8Low50 Ų5074.4 Ų74.431%0.30737%0.366SS..  trans-92.394.3174.1-44.40000108.6K156 C199 W200K156-T197 PolarHBondContact NZ-OG1 3.11Å; T197-C199 PolarHBondContact O-N 2.93Å; T197-W200 HydrophobicContact CG2-CE3 3.41Å; T197-W200 VanDerWaalsContact CG2-CE3 3.41Å; T197-W200 HydrophobicContact CG2-CH2 4.28Å; T197-W200 HydrophobicContact CG2-CZ3 3.16Å; T197-W200 PolarHBondContact O-N 2.84Å
198P74.2Confident57.3Low9 Ų971.2 Ų71.26%0.05836%0.36CS..G310 helixtrans-55-29.8-165.227.2-42.5000114.1F194 G196 W200 M201 M206 P240 V243F194-P198 HydrophobicContact CD1-CB 4.47Å; F194-P198 HydrophobicContact CE1-CB 3.6Å; F194-P198 HydrophobicContact CE1-CG 4.47Å; F194-P198 HydrophobicContact CZ-CB 4.15Å; G196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-W200 PolarHBondContact O-N 3.08Å; P198-W200 VanDerWaalsContact O-N 3.11Å; P198-M201 PolarHBondContact O-N 3.25Å; P198-M206 WeakPolarHBondContact O-CE 3.4Å; P198-P240 HydrophobicContact CB-CB 4.25Å; P198-P240 HydrophobicContact CG-CB 3.62Å; P198-P240 HydrophobicContact CG-CG 3.8Å; P198-V243 HydrophobicContact CB-CB 4.26Å; P198-V243 HydrophobicContact CB-CG1 3.92Å; P198-V243 HydrophobicContact CG-CB 4.41Å; P198-V243 HydrophobicContact CG-CG1 4.31Å
199C79.9Confident58.2Low15 Ų1568.1 Ų68.110%0.10135%0.354CS..G310 helixtrans-62.9-21.5-175-62.70000113.4T197 I223 A233 V243T197-C199 PolarHBondContact O-N 2.93Å; C199-I223 WeakPolarHBondContact O-CG2 3.42Å; C199-A233 HydrophobicContact CB-CB 3.54Å; C199-V243 HydrophobicContact CB-CG1 4.47Å
200W85.9Confident59.2Low30 Ų3064.2 Ų64.211%0.11435%0.346CS..G310 helixtrans-103-5.3177.8-66.4-102.7000113.2I155 K156 T197 P198 S220 I223 E227 A233I155-W200 VanDerWaalsContact O-CD1 3.29Å; K156-W200 HydrophobicContact CB-CD2 3.88Å; K156-W200 HydrophobicContact CB-CG 3.96Å; K156-W200 HydrophobicContact CB-CZ2 4.28Å; T197-W200 HydrophobicContact CG2-CE3 3.41Å; T197-W200 VanDerWaalsContact CG2-CE3 3.41Å; T197-W200 HydrophobicContact CG2-CH2 4.28Å; T197-W200 HydrophobicContact CG2-CZ3 3.16Å; T197-W200 PolarHBondContact O-N 2.84Å; P198-W200 PolarHBondContact O-N 3.08Å; P198-W200 VanDerWaalsContact O-N 3.11Å; W200-S220 VanDerWaalsContact O-CA 3.32Å; W200-S220 WeakPolarHBondContact O-CA 3.46Å; W200-S220 WeakPolarHBondContact O-CB 3.27Å; W200-S220 PolarHBondContact O-OG 2.79Å; W200-I223 HydrophobicContact CB-CG2 4.34Å; W200-I223 HydrophobicContact CD2-CG2 4.22Å; W200-I223 HydrophobicContact CG-CB 4.25Å; W200-I223 HydrophobicContact CG-CG2 3.74Å; W200-E227 VanDerWaalsContact CZ2-CD 3.41Å; W200-E227 HydrophobicContact CZ2-CG 4.29Å; W200-E227 VanDerWaalsContact CZ2-OE1 3.28Å; W200-E227 WeakPolarHBondContact CZ2-OE1 3.36Å; W200-E227 PolarHBondContact NE1-OE2 3.33Å; W200-A233 HydrophobicContact CD2-CB 4.38Å; W200-A233 HydrophobicContact CH2-CB 3.86Å; W200-A233 HydrophobicContact CZ2-CB 3.72Å; W200-A233 HydrophobicContact CZ3-CB 4.22Å
201M80.2Confident60.6Low30 Ų3060.8 Ų60.815%0.14834%0.338CS..  trans-80.2141.6-172.5-70.2175.364.700111.7F194 P198 V205 M206 W219F194-M201 HydrophobicContact CD1-SD 4.33Å; F194-M201 HydrophobicContact CE1-CE 3.8Å; F194-M201 HydrophobicContact CE1-SD 3.22Å; F194-M201 WeakPolarHBondContact CE1-SD 3.32Å; F194-M201 HydrophobicContact CE2-CE 3.7Å; F194-M201 HydrophobicContact CE2-SD 4.24Å; F194-M201 HydrophobicContact CZ-CE 3.2Å; F194-M201 HydrophobicContact CZ-SD 3.19Å; F194-M201 WeakPolarHBondContact CZ-SD 3.46Å; P198-M201 PolarHBondContact O-N 3.25Å; M201-V205 HydrophobicContact CE-CB 4.45Å; M201-V205 HydrophobicContact CE-CG1 3.52Å; M201-M206 HydrophobicContact CB-CE 3.83Å; M201-M206 HydrophobicContact CB-CG 4.34Å; M201-W219 PolarHBondContact O-NE1 3.46Å
202A74.8Confident62.4Low1 Ų157.2 Ų57.21%0.00833%0.325CS..  trans-75.9150.7178.600000111.3E204 V205 M206 A216 W219A202-E204 VanDerWaalsContact C-N 3.31Å; A202-E204 VanDerWaalsContact CB-CD 3.49Å; A202-E204 VanDerWaalsContact CB-OE1 3.28Å; A202-E204 WeakPolarHBondContact CB-OE1 3.24Å; A202-E204 VanDerWaalsContact CB-OE2 3.29Å; A202-E204 WeakPolarHBondContact CB-OE2 3.46Å; A202-E204 PolarHBondContact O-N 3.33Å; A202-V205 HydrophobicContact CB-CG2 3.93Å; A202-V205 WeakPolarHBondContact O-CB 3.25Å; A202-V205 PolarHBondContact O-N 2.68Å; A202-V205 VanDerWaalsContact O-N 3.07Å; A202-M206 WeakPolarHBondContact O-CG 3.23Å; A202-M206 PolarHBondContact O-N 3.05Å; A202-M206 VanDerWaalsContact O-N 3.1Å; A202-A216 HydrophobicContact CB-CB 4.21Å; A202-W219 VanDerWaalsContact CA-CD1 3.49Å; A202-W219 HydrophobicContact CB-CB 3.65Å; A202-W219 HydrophobicContact CB-CD2 4.27Å; A202-W219 HydrophobicContact CB-CG 3.67Å
203P77.3Confident64.7Low4 Ų454.3 Ų54.33%0.02631%0.314CS..Hα-helixtrans-60-36.3-177.124.3-35.3000113.3V205 M206 E207 W219 L248 K282P203-V205 VanDerWaalsContact C-N 3.32Å; P203-V205 PolarHBondContact O-N 2.87Å; P203-M206 CarbonylContact O-C 3.52Å; P203-M206 WeakPolarHBondContact O-CA 3.42Å; P203-M206 VanDerWaalsContact O-CB 3.27Å; P203-M206 WeakPolarHBondContact O-CB 3.45Å; P203-M206 PolarHBondContact O-N 3.32Å; P203-M206 VanDerWaalsContact O-N 3.15Å; P203-E207 WeakPolarHBondContact O-CG 3.38Å; P203-E207 PolarHBondContact O-N 3.32Å; P203-W219 HydrophobicContact CG-CE3 4.36Å; P203-W219 HydrophobicContact CG-CH2 4.36Å; P203-W219 HydrophobicContact CG-CZ3 4.12Å; P203-L248 HydrophobicContact CB-CD2 3.73Å; P203-L248 WeakPolarHBondContact O-CD2 3.3Å; P203-K282 HydrophobicContact CB-CD 4.16Å; P203-K282 HydrophobicContact CG-CD 3.8Å
204E78.7Confident67.2Low17 Ų1753 Ų538%0.07930%0.301CS..Hα-helixtrans-70.3-29.1177.172.6-77-172.500112.8A202 M206 P284 R287A202-E204 VanDerWaalsContact C-N 3.31Å; A202-E204 VanDerWaalsContact CB-CD 3.49Å; A202-E204 VanDerWaalsContact CB-OE1 3.28Å; A202-E204 WeakPolarHBondContact CB-OE1 3.24Å; A202-E204 VanDerWaalsContact CB-OE2 3.29Å; A202-E204 WeakPolarHBondContact CB-OE2 3.46Å; A202-E204 PolarHBondContact O-N 3.33Å; E204-M206 VanDerWaalsContact C-N 3.27Å; E204-P284 HydrophobicContact CB-CG 4.13Å; E204-P284 HydrophobicContact CG-CG 3.75Å; E204-R287 IonicContact OE1-CZ 3.5Å; E204-R287 IonicContact OE1-NH1 2.66Å; E204-R287 PolarHBondContact OE1-NH1 3.08Å; E204-R287 IonicContact OE1-NH2 3.97Å; E204-R287 PolarHBondContact OE1-NH2 2.99Å; E204-R287 IonicContact OE2-CZ 3.23Å; E204-R287 IonicContact OE2-NH1 3.7Å; E204-R287 PolarHBondContact OE2-NH1 3.47Å; E204-R287 IonicContact OE2-NH2 3.68Å; E204-R287 PolarHBondContact OE2-NH2 2.84Å
205V72.4Confident70Confident24 Ų2450.6 Ų50.615%0.14529%0.29CS..Hα-helixtrans-69.1-35.4172.3-176.80000109.6M201 A202 P203 Y212 A216M201-V205 HydrophobicContact CE-CB 4.45Å; M201-V205 HydrophobicContact CE-CG1 3.52Å; A202-V205 HydrophobicContact CB-CG2 3.93Å; A202-V205 WeakPolarHBondContact O-CB 3.25Å; A202-V205 PolarHBondContact O-N 2.68Å; A202-V205 VanDerWaalsContact O-N 3.07Å; P203-V205 VanDerWaalsContact C-N 3.32Å; P203-V205 PolarHBondContact O-N 2.87Å; V205-Y212 HydrophobicContact CB-CD1 4.25Å; V205-Y212 HydrophobicContact CG1-CD1 4.13Å; V205-Y212 HydrophobicContact CG1-CE1 3.92Å; V205-Y212 HydrophobicContact CG2-CD1 3.82Å; V205-Y212 HydrophobicContact CG2-CD2 3.85Å; V205-Y212 HydrophobicContact CG2-CE1 4.2Å; V205-Y212 HydrophobicContact CG2-CE2 4.22Å; V205-Y212 HydrophobicContact CG2-CG 3.62Å; V205-A216 HydrophobicContact CG2-CB 3.58Å
206M71.6Confident72.6Confident13 Ų1347.1 Ų47.16%0.06427%0.27CS..Hα-helixtrans-72.7-37.1178.2-75.9178.6176.800113.3F194 P198 M201 A202 P203 E204 L244 T247 L248F194-M206 HydrophobicContact CZ-CG 4.38Å; P198-M206 WeakPolarHBondContact O-CE 3.4Å; M201-M206 HydrophobicContact CB-CE 3.83Å; M201-M206 HydrophobicContact CB-CG 4.34Å; A202-M206 WeakPolarHBondContact O-CG 3.23Å; A202-M206 PolarHBondContact O-N 3.05Å; A202-M206 VanDerWaalsContact O-N 3.1Å; P203-M206 CarbonylContact O-C 3.52Å; P203-M206 WeakPolarHBondContact O-CA 3.42Å; P203-M206 VanDerWaalsContact O-CB 3.27Å; P203-M206 WeakPolarHBondContact O-CB 3.45Å; P203-M206 PolarHBondContact O-N 3.32Å; P203-M206 VanDerWaalsContact O-N 3.15Å; E204-M206 VanDerWaalsContact C-N 3.27Å; M206-L244 HydrophobicContact CB-CD1 3.34Å; M206-L244 HydrophobicContact CG-CD1 3.42Å; M206-L244 VanDerWaalsContact CG-CD1 3.42Å; M206-L244 HydrophobicContact SD-CD1 3.54Å; M206-L244 VanDerWaalsContact SD-CD1 3.54Å; M206-T247 HydrophobicContact CE-CG2 3.86Å; M206-T247 HydrophobicContact SD-CG2 3.61Å; M206-L248 HydrophobicContact CB-CD1 4.44Å; M206-L248 HydrophobicContact CB-CD2 3.99Å; M206-L248 HydrophobicContact CB-CG 4.4Å; M206-L248 HydrophobicContact SD-CD2 4.49Å; M206-L248 HydrophobicContact SD-CG 4.43Å
207E67.7Low74.8Confident113 Ų11345.5 Ų45.553%0.52825%0.253SS..Hα-helixtrans-71.3-26.3-178.4-76.8172.7-178.500113.4P203 V209 L248P203-E207 WeakPolarHBondContact O-CG 3.38Å; P203-E207 PolarHBondContact O-N 3.32Å; E207-V209 HydrophobicContact CB-CG2 4.34Å; E207-V209 VanDerWaalsContact O-CG2 3.29Å; E207-V209 WeakPolarHBondContact O-CG2 3.48Å; E207-V209 PolarHBondContact O-N 3.21Å; E207-L248 HydrophobicContact CG-CD2 3.74Å
208Q65.9Low76.4Confident141 Ų14143.1 Ų43.166%0.65924%0.238SC*.  trans56.37.6179.2-58.1-174.8-20.400116
209V50.2Low77.5Confident123 Ų12342.9 Ų42.975%0.74524%0.236SC*.SBendtrans-79-38.2-173.4-175.40000112.4E207E207-V209 HydrophobicContact CB-CG2 4.34Å; E207-V209 VanDerWaalsContact O-CG2 3.29Å; E207-V209 WeakPolarHBondContact O-CG2 3.48Å; E207-V209 PolarHBondContact O-N 3.21Å
210T51Low78.2Confident103 Ų10342.4 Ų42.463%0.63223%0.233SC*.SBendtrans-131.2133.5176.554.10000106.9
211G58.8Low78.8Confident67 Ų6741 Ų4169%0.69123%0.228SC*.  trans-47.6148.817500000111.6
212Y69.8Low79.7Confident53 Ų5339.6 Ų39.621%0.20822%0.221CC..  trans-99.8158.5-178.763.5-89.9000111.2I151 R153 T181 V205 A216I151-Y212 HydrophobicContact CD1-CD2 4.28Å; I151-Y212 HydrophobicContact CD1-CE2 4.21Å; I151-Y212 HydrophobicContact CG2-CE2 4.05Å; R153-Y212 WeakPolarHBondContact CD-OH 3.4Å; R153-Y212 HydrophobicContact CG-CE2 4.04Å; R153-Y212 VanDerWaalsContact CG-OH 3.27Å; R153-Y212 WeakPolarHBondContact CG-OH 3.16Å; R153-Y212 PolarHBondContact NE-OH 3.49Å; R153-Y212 VanDerWaalsContact NE-OH 3.14Å; T181-Y212 HydrophobicContact CG2-CE1 4.27Å; T181-Y212 WeakPolarHBondContact CG2-OH 3.27Å; V205-Y212 HydrophobicContact CB-CD1 4.25Å; V205-Y212 HydrophobicContact CG1-CD1 4.13Å; V205-Y212 HydrophobicContact CG1-CE1 3.92Å; V205-Y212 HydrophobicContact CG2-CD1 3.82Å; V205-Y212 HydrophobicContact CG2-CD2 3.85Å; V205-Y212 HydrophobicContact CG2-CE1 4.2Å; V205-Y212 HydrophobicContact CG2-CE2 4.22Å; V205-Y212 HydrophobicContact CG2-CG 3.62Å; Y212-A216 HydrophobicContact CD2-CB 3.56Å; Y212-A216 HydrophobicContact CE2-CB 4.1Å; Y212-A216 HydrophobicContact CG-CB 4.34Å
213D81.2Confident80.8Confident72 Ų7239.6 Ų39.639%0.38522%0.221SC..  trans-108.1-172.217772.76.7000111.8K215 A216D213-K215 PolarHBondContact O-N 2.99Å; D213-K215 WeakPolarHBondContact OD1-CB 3.43Å; D213-K215 VanDerWaalsContact OD1-CG 3.27Å; D213-K215 WeakPolarHBondContact OD1-CG 3.49Å; D213-K215 PolarHBondContact OD1-N 3.27Å; D213-A216 WeakPolarHBondContact O-CB 3.47Å; D213-A216 PolarHBondContact O-N 3.13Å; D213-A216 VanDerWaalsContact O-N 3.13Å
214F86.9Confident81.8Confident64 Ų6439.4 Ų39.428%0.28122%0.22SC..THydrogen-bonded Turntrans-62-11.8-179.765.9-94.6000114.5H146 I151 A216 D217 T289H146-F214 HydrophobicContact CB-CB 4.28Å; H146-F214 HydrophobicContact CB-CD2 4.03Å; H146-F214 HydrophobicContact CB-CG 4.16Å; H146-F214 AromaticContact CE1-CD2 3.95Å; H146-F214 PolarHBondContact CE1-O 2.89Å; H146-F214 VanDerWaalsContact CE1-O 3.32Å; H146-F214 AromaticContact CG-CD2 3.72Å; H146-F214 AromaticContact CG-CG 3.95Å; H146-F214 AromaticContact ND1-CD2 3.46Å; H146-F214 WeakPolarHBondContact ND1-CD2 3.1Å; H146-F214 PolarHBondContact NE2-O 2.81Å; I151-F214 HydrophobicContact CG1-CB 4.14Å; F214-A216 PolarHBondContact O-N 3.37Å; F214-D217 PolarHBondContact O-N 3.31Å; F214-T289 HydrophobicContact CE2-CG2 4.18Å
215K93.4Very high82.8Confident23 Ų2338.6 Ų38.610%0.122%0.216CC..Hα-helixtrans-69.1-16.4174.2-59.6-64.3-168.469.70112.6D213 D217 I218 W219 P284 R287D213-K215 PolarHBondContact O-N 2.99Å; D213-K215 WeakPolarHBondContact OD1-CB 3.43Å; D213-K215 VanDerWaalsContact OD1-CG 3.27Å; D213-K215 WeakPolarHBondContact OD1-CG 3.49Å; D213-K215 PolarHBondContact OD1-N 3.27Å; K215-D217 VanDerWaalsContact C-N 3.3Å; K215-I218 HydrophobicContact CD-CG1 4.33Å; K215-I218 WeakPolarHBondContact O-CB 3.28Å; K215-I218 PolarHBondContact O-N 2.7Å; K215-W219 PolarHBondContact O-N 2.84Å; K215-P284 HydrophobicContact CB-CB 3.95Å; K215-P284 WeakPolarHBondContact CG-O 3.37Å; K215-P284 PolarHBondContact NZ-O 3.41Å; K215-R287 HydrophobicContact CD-CB 4.26Å; K215-R287 WeakPolarHBondContact CE-O 3.24Å; K215-R287 PolarHBondContact NZ-O 2.71Å; K215-R287 WeakPolarHBondContact O-CD 3.39Å; K215-R287 PolarHBondContact O-NH1 3.4Å
216A91.7Very high84Confident4 Ų437.5 Ų37.53%0.03321%0.209CC..Hα-helixtrans-58.8-42.7169.400000111.4A202 V205 Y212 D213 F214 I218 W219 S220A202-A216 HydrophobicContact CB-CB 4.21Å; V205-A216 HydrophobicContact CG2-CB 3.58Å; Y212-A216 HydrophobicContact CD2-CB 3.56Å; Y212-A216 HydrophobicContact CE2-CB 4.1Å; Y212-A216 HydrophobicContact CG-CB 4.34Å; D213-A216 WeakPolarHBondContact O-CB 3.47Å; D213-A216 PolarHBondContact O-N 3.13Å; D213-A216 VanDerWaalsContact O-N 3.13Å; F214-A216 PolarHBondContact O-N 3.37Å; A216-I218 PolarHBondContact O-N 3.49Å; A216-W219 WeakPolarHBondContact O-CB 3.35Å; A216-W219 PolarHBondContact O-N 2.83Å; A216-W219 VanDerWaalsContact O-N 3.14Å; A216-S220 PolarHBondContact O-N 2.66Å; A216-S220 VanDerWaalsContact O-N 3.12Å; A216-S220 PolarHBondContact O-OG 2.77Å
217D94.3Very high85.2Confident0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-63-29.9177.1-69.6-23.6000112.2L142 H146 H152 R153 I155 F214 K215 S220 F221L142-D217 HydrophobicContact CD2-CB 3.88Å; H146-D217 IonicContact CD2-OD2 3.15Å; H146-D217 IonicContact CE1-OD2 2.74Å; H146-D217 IonicContact NE2-OD2 2.69Å; H146-D217 PolarHBondContact NE2-OD2 3.41Å; H152-D217 WeakPolarHBondContact CB-OD2 3.29Å; H152-D217 PolarHBondContact N-OD1 3.36Å; H152-D217 PolarHBondContact N-OD2 3.38Å; R153-D217 PolarHBondContact N-OD1 2.89Å; I155-D217 HydrophobicContact CG1-CB 4.44Å; F214-D217 PolarHBondContact O-N 3.31Å; K215-D217 VanDerWaalsContact C-N 3.3Å; D217-S220 PolarHBondContact O-N 3.07Å; D217-F221 VanDerWaalsContact O-CB 3.26Å; D217-F221 WeakPolarHBondContact O-CB 3.31Å; D217-F221 PolarHBondContact O-N 2.77Å
218I98Very high86.7Confident0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-69.6-36.7178.2-56-61.3000111.1K215 A216 F221 G222 C279 R287 P288 A290 L293K215-I218 HydrophobicContact CD-CG1 4.33Å; K215-I218 WeakPolarHBondContact O-CB 3.28Å; K215-I218 PolarHBondContact O-N 2.7Å; A216-I218 PolarHBondContact O-N 3.49Å; I218-F221 WeakPolarHBondContact O-CB 3.36Å; I218-F221 PolarHBondContact O-N 3.37Å; I218-G222 PolarHBondContact O-N 3.3Å; I218-C279 HydrophobicContact CG2-CB 4.19Å; I218-C279 WeakPolarHBondContact O-CB 3.32Å; I218-R287 HydrophobicContact CB-CB 4.44Å; I218-R287 HydrophobicContact CG2-CB 4.04Å; I218-P288 WeakPolarHBondContact CG1-O 3.31Å; I218-A290 HydrophobicContact CD1-CB 4.38Å; I218-L293 HydrophobicContact CD1-CD1 4.14Å; I218-L293 HydrophobicContact CG2-CD1 3.93Å
219W97.2Very high88.2Confident3 Ų325 Ų251%0.01115%0.151CC..Hα-helixtrans-63.3-50.7170.5175-78.1000110.6M201 A202 P203 K215 A216 F221 G222 I223 T247 P252 L280 K282M201-W219 PolarHBondContact O-NE1 3.46Å; A202-W219 VanDerWaalsContact CA-CD1 3.49Å; A202-W219 HydrophobicContact CB-CB 3.65Å; A202-W219 HydrophobicContact CB-CD2 4.27Å; A202-W219 HydrophobicContact CB-CG 3.67Å; P203-W219 HydrophobicContact CG-CE3 4.36Å; P203-W219 HydrophobicContact CG-CH2 4.36Å; P203-W219 HydrophobicContact CG-CZ3 4.12Å; K215-W219 PolarHBondContact O-N 2.84Å; A216-W219 WeakPolarHBondContact O-CB 3.35Å; A216-W219 PolarHBondContact O-N 2.83Å; A216-W219 VanDerWaalsContact O-N 3.14Å; W219-F221 PolarHBondContact O-N 2.77Å; W219-G222 WeakPolarHBondContact O-CA 3.38Å; W219-G222 PolarHBondContact O-N 3.15Å; W219-I223 PolarHBondContact O-N 3.1Å; W219-T247 HydrophobicContact CH2-CG2 4.41Å; W219-T247 HydrophobicContact CZ2-CG2 3.75Å; W219-P252 HydrophobicContact CH2-CB 4.19Å; W219-P252 HydrophobicContact CZ3-CB 4.38Å; W219-L280 HydrophobicContact CD2-CD2 3.73Å; W219-L280 HydrophobicContact CE3-CB 4.46Å; W219-L280 HydrophobicContact CE3-CD2 4.02Å; W219-L280 HydrophobicContact CG-CD2 4.03Å; W219-L280 HydrophobicContact CZ2-CD2 4.36Å; W219-L280 HydrophobicContact CZ3-CB 4.33Å; W219-L280 HydrophobicContact CZ3-CD2 4.46Å; W219-L280 WeakPolarHBondContact O-CD2 3.4Å; W219-K282 HydrophobicContact CH2-CD 4.02Å; W219-K282 HydrophobicContact CZ3-CD 4.1Å
220S96.3Very high90.3Very high6 Ų619.8 Ų19.84%0.04212%0.119CC..Hα-helixtrans-58.9-35.9178.5-55.30000112.3W200 A216 D217 I223 L224W200-S220 VanDerWaalsContact O-CA 3.32Å; W200-S220 WeakPolarHBondContact O-CA 3.46Å; W200-S220 WeakPolarHBondContact O-CB 3.27Å; W200-S220 PolarHBondContact O-OG 2.79Å; A216-S220 PolarHBondContact O-N 2.66Å; A216-S220 VanDerWaalsContact O-N 3.12Å; A216-S220 PolarHBondContact O-OG 2.77Å; D217-S220 PolarHBondContact O-N 3.07Å; S220-I223 PolarHBondContact O-N 3.31Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 2.84Å
221F98.4Very high92.4Very high0 Ų015 Ų150%09%0.09CC..Hα-helixtrans-63.1-40.2171.4174.8-92.2000112.7L135 V138 L139 L142 D217 I218 W219 I223 L224 A225 M275 L293 F299L135-F221 HydrophobicContact CB-CE2 3.86Å; L135-F221 HydrophobicContact CB-CZ 3.77Å; L135-F221 HydrophobicContact CD1-CE2 4.45Å; L135-F221 HydrophobicContact CD1-CZ 4.04Å; L135-F221 HydrophobicContact CD2-CD2 4.25Å; L135-F221 HydrophobicContact CD2-CE2 3.64Å; L135-F221 HydrophobicContact CD2-CZ 4.08Å; L135-F221 HydrophobicContact CG-CE2 4.18Å; L135-F221 HydrophobicContact CG-CZ 4.18Å; V138-F221 HydrophobicContact CB-CE2 4.38Å; V138-F221 HydrophobicContact CG1-CD2 4.06Å; V138-F221 HydrophobicContact CG1-CE2 4.28Å; L139-F221 HydrophobicContact CD1-CE1 4.32Å; L139-F221 HydrophobicContact CD1-CE2 4.27Å; L139-F221 HydrophobicContact CD1-CZ 3.71Å; L139-F221 HydrophobicContact CD2-CD1 4.33Å; L139-F221 HydrophobicContact CD2-CD2 4.09Å; L139-F221 HydrophobicContact CD2-CE1 4.01Å; L139-F221 HydrophobicContact CD2-CE2 3.75Å; L139-F221 HydrophobicContact CD2-CG 4.36Å; L139-F221 HydrophobicContact CD2-CZ 3.7Å; L139-F221 HydrophobicContact CG-CD2 4.33Å; L139-F221 HydrophobicContact CG-CE1 4.24Å; L139-F221 HydrophobicContact CG-CE2 3.54Å; L139-F221 HydrophobicContact CG-CZ 3.48Å; L139-F221 VanDerWaalsContact CG-CZ 3.48Å; L142-F221 HydrophobicContact CD1-CB 4.18Å; L142-F221 HydrophobicContact CD1-CD2 4.11Å; L142-F221 HydrophobicContact CD1-CG 4.43Å; D217-F221 VanDerWaalsContact O-CB 3.26Å; D217-F221 WeakPolarHBondContact O-CB 3.31Å; D217-F221 PolarHBondContact O-N 2.77Å; I218-F221 WeakPolarHBondContact O-CB 3.36Å; I218-F221 PolarHBondContact O-N 3.37Å; W219-F221 PolarHBondContact O-N 2.77Å; F221-I223 VanDerWaalsContact C-N 3.34Å; F221-L224 WeakPolarHBondContact O-CB 3.47Å; F221-L224 PolarHBondContact O-N 2.97Å; F221-A225 PolarHBondContact O-N 3.3Å; F221-M275 HydrophobicContact CD1-SD 4.48Å; F221-M275 HydrophobicContact CE1-CE 4.46Å; F221-M275 HydrophobicContact CE1-SD 3.73Å; F221-L293 HydrophobicContact CD1-CD1 4.19Å; F221-L293 HydrophobicContact CE1-CD1 4.16Å; F221-F299 HydrophobicContact CZ-CZ 4.03Å
222G98.5Very high94.1Very high0 Ų013.7 Ų13.70%07%0.069CC..Hα-helixtrans-61.9-39.7172.400000112.7I218 W219 A225 I226I218-G222 PolarHBondContact O-N 3.3Å; W219-G222 WeakPolarHBondContact O-CA 3.38Å; W219-G222 PolarHBondContact O-N 3.15Å; G222-A225 WeakPolarHBondContact O-CB 3.33Å; G222-A225 PolarHBondContact O-N 3.39Å; G222-I226 PolarHBondContact O-N 3.48Å
223I98.1Very high95.2Very high2 Ų211.2 Ų11.21%0.016%0.059CC..Hα-helixtrans-67.1-43.9173.7-58.2-60000111.1C199 W200 W219 S220 F221 A225 I226 E227 A233 P234 P253 L280C199-I223 WeakPolarHBondContact O-CG2 3.42Å; W200-I223 HydrophobicContact CB-CG2 4.34Å; W200-I223 HydrophobicContact CD2-CG2 4.22Å; W200-I223 HydrophobicContact CG-CB 4.25Å; W200-I223 HydrophobicContact CG-CG2 3.74Å; W219-I223 PolarHBondContact O-N 3.1Å; S220-I223 PolarHBondContact O-N 3.31Å; F221-I223 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 3.27Å; I223-I226 PolarHBondContact O-N 3.17Å; I223-I226 VanDerWaalsContact O-N 3.11Å; I223-E227 WeakPolarHBondContact O-CB 3.36Å; I223-E227 PolarHBondContact O-N 2.98Å; I223-A233 HydrophobicContact CG2-CB 3.89Å; I223-P234 HydrophobicContact CD1-CG 4.13Å; I223-P253 HydrophobicContact CD1-CG 3.85Å; I223-L280 HydrophobicContact CD1-CD1 4.17Å; I223-L280 HydrophobicContact CD1-CD2 3.77Å; I223-L280 HydrophobicContact CG1-CD2 4.04Å
224L98.1Very high95.9Very high0 Ų08.1 Ų8.10%04%0.043CC..Hα-helixtrans-56.4-39.7173.8172.963.4000111.3L135 V138 I155 I160 S220 F221 E227 L228L135-L224 HydrophobicContact CD2-CD2 3.9Å; L135-L224 HydrophobicContact CD2-CG 4Å; V138-L224 HydrophobicContact CG1-CD2 4.24Å; I155-L224 HydrophobicContact CG2-CB 4.4Å; I155-L224 HydrophobicContact CG2-CD2 3.91Å; I160-L224 HydrophobicContact CD1-CD2 4.31Å; I160-L224 HydrophobicContact CG1-CD2 3.96Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 2.84Å; F221-L224 WeakPolarHBondContact O-CB 3.47Å; F221-L224 PolarHBondContact O-N 2.97Å; L224-E227 WeakPolarHBondContact CD1-OE2 3.19Å; L224-E227 WeakPolarHBondContact O-CB 3.4Å; L224-E227 PolarHBondContact O-N 2.94Å; L224-L228 HydrophobicContact CD1-CD1 4.33Å; L224-L228 HydrophobicContact CD1-CD2 4.37Å; L224-L228 HydrophobicContact CD1-CG 4.06Å; L224-L228 HydrophobicContact CG-CD1 4.31Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 3.36Å
225A98.7Very high96.1Very high0 Ų05.9 Ų5.90%03%0.033CC..Hα-helixtrans-62.2-43176.100000112.3L135 F221 G222 I223 A229 F272 M275 I276L135-A225 HydrophobicContact CD1-CB 3.65Å; F221-A225 PolarHBondContact O-N 3.3Å; G222-A225 WeakPolarHBondContact O-CB 3.33Å; G222-A225 PolarHBondContact O-N 3.39Å; I223-A225 PolarHBondContact O-N 3.27Å; A225-A229 PolarHBondContact O-N 2.8Å; A225-F272 HydrophobicContact CB-CE2 4.02Å; A225-F272 HydrophobicContact CB-CZ 4.19Å; A225-F272 WeakPolarHBondContact O-CZ 3.48Å; A225-M275 HydrophobicContact CB-CE 3.83Å; A225-I276 HydrophobicContact CB-CD1 4.44Å; A225-I276 HydrophobicContact CB-CG1 4.01Å
226I98.3Very high95.9Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-62.8-47.6173.4-64.5170.3000110G222 I223 L228 A229 T230 P234 L255 I276 L280G222-I226 PolarHBondContact O-N 3.48Å; I223-I226 PolarHBondContact O-N 3.17Å; I223-I226 VanDerWaalsContact O-N 3.11Å; I226-L228 VanDerWaalsContact C-N 3.32Å; I226-L228 PolarHBondContact O-N 3.43Å; I226-A229 WeakPolarHBondContact O-CA 3.21Å; I226-A229 WeakPolarHBondContact O-CB 3.47Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-T230 HydrophobicContact CG2-CG2 3.9Å; I226-T230 PolarHBondContact O-N 2.99Å; I226-T230 PolarHBondContact O-OG1 3.22Å; I226-P234 HydrophobicContact CB-CG 4.43Å; I226-P234 HydrophobicContact CD1-CG 3.79Å; I226-P234 HydrophobicContact CG2-CG 4Å; I226-L255 HydrophobicContact CG2-CD1 4.34Å; I226-I276 HydrophobicContact CD1-CG2 3.9Å; I226-I276 HydrophobicContact CG1-CD1 3.98Å; I226-I276 HydrophobicContact CG1-CG1 4.49Å; I226-I276 HydrophobicContact CG1-CG2 3.95Å; I226-L280 HydrophobicContact CD1-CD1 3.69Å
227E97.7Very high95.6Very high5 Ų513.2 Ų13.22%0.0237%0.065CC..Hα-helixtrans-56.2-42.5179.9-178.2-171.1-164.400112.7L112 S157 W200 I223 L224 A229 G231L112-E227 HydrophobicContact CD1-CG 3.96Å; S157-E227 VanDerWaalsContact CB-CD 3.41Å; S157-E227 VanDerWaalsContact CB-OE1 3.22Å; S157-E227 WeakPolarHBondContact CB-OE1 3.29Å; S157-E227 WeakPolarHBondContact CB-OE2 3.14Å; S157-E227 PolarHBondContact N-OE2 2.86Å; S157-E227 PolarHBondContact OG-OE1 3.3Å; W200-E227 VanDerWaalsContact CZ2-CD 3.41Å; W200-E227 HydrophobicContact CZ2-CG 4.29Å; W200-E227 VanDerWaalsContact CZ2-OE1 3.28Å; W200-E227 WeakPolarHBondContact CZ2-OE1 3.36Å; W200-E227 PolarHBondContact NE1-OE2 3.33Å; I223-E227 WeakPolarHBondContact O-CB 3.36Å; I223-E227 PolarHBondContact O-N 2.98Å; L224-E227 WeakPolarHBondContact CD1-OE2 3.19Å; L224-E227 WeakPolarHBondContact O-CB 3.4Å; L224-E227 PolarHBondContact O-N 2.94Å; E227-A229 PolarHBondContact O-N 2.85Å; E227-G231 CarbonylContact O-C 3.52Å; E227-G231 WeakPolarHBondContact O-CA 3.41Å; E227-G231 PolarHBondContact O-N 3.04Å
228L97.6Very high95.3Very high1 Ų118.6 Ų18.61%0.0059%0.086CC..Hα-helixtrans-66.9-26.6177.3-68.5176.2000113L108 L112 L126 I131 L134 L135 L224 I226L108-L228 HydrophobicContact CB-CD2 4.29Å; L108-L228 HydrophobicContact CD1-CD2 3.85Å; L112-L228 HydrophobicContact CD1-CD2 4.26Å; L112-L228 HydrophobicContact CD2-CD2 4.37Å; L126-L228 WeakPolarHBondContact CB-O 3.22Å; L126-L228 HydrophobicContact CD1-CB 4.31Å; L126-L228 HydrophobicContact CD1-CD2 4.09Å; I131-L228 HydrophobicContact CD1-CB 4.32Å; I131-L228 HydrophobicContact CG1-CB 4.09Å; I131-L228 HydrophobicContact CG2-CD1 4.46Å; L134-L228 HydrophobicContact CD1-CD1 4.37Å; L135-L228 HydrophobicContact CD2-CD1 3.65Å; L135-L228 HydrophobicContact CG-CD1 3.97Å; L224-L228 HydrophobicContact CD1-CD1 4.33Å; L224-L228 HydrophobicContact CD1-CD2 4.37Å; L224-L228 HydrophobicContact CD1-CG 4.06Å; L224-L228 HydrophobicContact CG-CD1 4.31Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.5Å; L224-L228 PolarHBondContact O-N 3.36Å; I226-L228 VanDerWaalsContact C-N 3.32Å; I226-L228 PolarHBondContact O-N 3.43Å
229A97.6Very high94.4Very high0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-85.8-43.2178.700000112.3G124 V125 I131 A225 I226 E227 L255 Y268 F272G124-A229 CarbonylContact C-O 3.59Å; G124-A229 VanDerWaalsContact CA-O 3.24Å; G124-A229 WeakPolarHBondContact CA-O 3.36Å; V125-A229 PolarHBondContact N-O 3.32Å; I131-A229 HydrophobicContact CD1-CB 3.92Å; A225-A229 PolarHBondContact O-N 2.8Å; I226-A229 WeakPolarHBondContact O-CA 3.21Å; I226-A229 WeakPolarHBondContact O-CB 3.47Å; I226-A229 PolarHBondContact O-N 3.46Å; E227-A229 PolarHBondContact O-N 2.85Å; A229-L255 HydrophobicContact CB-CD1 3.59Å; A229-Y268 WeakPolarHBondContact CA-OH 3.41Å; A229-Y268 HydrophobicContact CB-CE1 3.89Å; A229-Y268 HydrophobicContact CB-CE2 3.91Å; A229-Y268 PolarHBondContact O-OH 2.86Å; A229-F272 HydrophobicContact CB-CE1 3.93Å; A229-F272 HydrophobicContact CB-CZ 4.23Å
230T95.8Very high93.6Very high12 Ų1221.8 Ų21.87%0.07411%0.107CC..Hα-helixtrans-99.2-12.8-173.465.50000113.4I226 T232 L255 Y265I226-T230 HydrophobicContact CG2-CG2 3.9Å; I226-T230 PolarHBondContact O-N 2.99Å; I226-T230 PolarHBondContact O-OG1 3.22Å; T230-T232 VanDerWaalsContact C-N 3.29Å; T230-T232 PolarHBondContact OG1-N 2.84Å; T230-T232 PolarHBondContact OG1-O 2.82Å; T230-L255 HydrophobicContact CG2-CD1 3.77Å; T230-Y265 HydrophobicContact CG2-CD2 4.35Å; T230-Y265 HydrophobicContact CG2-CE1 4.15Å; T230-Y265 HydrophobicContact CG2-CE2 3.77Å
231G94.4Very high92.6Very high3 Ų326.4 Ų26.43%0.03113%0.129CC..SBendtrans87.4-12.6-174.300000114.6E227E227-G231 CarbonylContact O-C 3.52Å; E227-G231 WeakPolarHBondContact O-CA 3.41Å; E227-G231 PolarHBondContact O-N 3.04Å
232T93.7Very high92Very high39 Ų3929.8 Ų29.824%0.23914%0.144CC..SBendtrans-148.5155.3-172.954.80000111.8T230 H236T230-T232 VanDerWaalsContact C-N 3.29Å; T230-T232 PolarHBondContact OG1-N 2.84Å; T230-T232 PolarHBondContact OG1-O 2.82Å; T232-H236 WeakPolarHBondContact CB-ND1 3.46Å; T232-H236 PolarHBondContact OG1-CE1 3.18Å; T232-H236 PolarHBondContact OG1-ND1 2.95Å; T232-H236 VanDerWaalsContact OG1-ND1 3.15Å
233A94.4Very high91.4Very high1 Ų129.8 Ų29.81%0.00814%0.144CC..  trans-66.2154172.400000111.6C199 W200 I223 Y235 H236C199-A233 HydrophobicContact CB-CB 3.54Å; W200-A233 HydrophobicContact CD2-CB 4.38Å; W200-A233 HydrophobicContact CH2-CB 3.86Å; W200-A233 HydrophobicContact CZ2-CB 3.72Å; W200-A233 HydrophobicContact CZ3-CB 4.22Å; I223-A233 HydrophobicContact CG2-CB 3.89Å; A233-Y235 VanDerWaalsContact C-N 3.25Å; A233-Y235 PolarHBondContact O-N 3.27Å; A233-Y235 VanDerWaalsContact O-N 3.09Å; A233-H236 WeakPolarHBondContact O-CB 3.34Å; A233-H236 PolarHBondContact O-N 3.39Å; A233-H236 VanDerWaalsContact O-N 3.11Å; A233-H236 PolarHBondContact O-ND1 2.72Å
234P94.3Very high90.7Very high7 Ų731.1 Ų31.15%0.04515%0.151CC..THydrogen-bonded Turntrans-53.3-38.4-173-27.232.5000114.9I223 I226 P253 T257I223-P234 HydrophobicContact CD1-CG 4.13Å; I226-P234 HydrophobicContact CB-CG 4.43Å; I226-P234 HydrophobicContact CD1-CG 3.79Å; I226-P234 HydrophobicContact CG2-CG 4Å; P234-P253 HydrophobicContact CB-CB 3.71Å; P234-P253 HydrophobicContact CB-CG 4.36Å; P234-P253 HydrophobicContact CG-CB 3.73Å; P234-P253 HydrophobicContact CG-CG 4.05Å; P234-T257 HydrophobicContact CB-CG2 4Å
235Y92.4Very high90.1Very high18 Ų1835.5 Ų35.57%0.07117%0.172CC..THydrogen-bonded Turntrans-108.820.6-175.2-58.2-46.7000113.3A233 K237 Y238 V243 L246 P253 T257A233-Y235 VanDerWaalsContact C-N 3.25Å; A233-Y235 PolarHBondContact O-N 3.27Å; A233-Y235 VanDerWaalsContact O-N 3.09Å; Y235-K237 PolarHBondContact O-N 2.91Å; Y235-Y238 HydrophobicContact CD1-CD2 4.1Å; Y235-Y238 HydrophobicContact CD1-CE2 4.16Å; Y235-Y238 HydrophobicContact CG-CD2 4.45Å; Y235-Y238 PolarHBondContact O-N 3.35Å; Y235-V243 HydrophobicContact CD2-CG1 4.49Å; Y235-V243 WeakPolarHBondContact O-CG2 3.32Å; Y235-L246 HydrophobicContact CD1-CD1 4.05Å; Y235-L246 HydrophobicContact CD2-CB 4.42Å; Y235-L246 HydrophobicContact CE1-CB 4.38Å; Y235-L246 HydrophobicContact CE1-CD1 4.37Å; Y235-L246 HydrophobicContact CE2-CB 4.22Å; Y235-L246 HydrophobicContact CG-CD1 4.4Å; Y235-P253 HydrophobicContact CE2-CB 4.32Å; Y235-P253 HydrophobicContact CE2-CG 4.29Å; Y235-T257 HydrophobicContact CD1-CG2 4.29Å; Y235-T257 HydrophobicContact CE1-CG2 3.56Å
236H88.7Confident89.6Confident52 Ų5236.8 Ų36.824%0.24118%0.179CC..THydrogen-bonded Turntrans-56.8-24.7-175.970.5-83.1000114.8T232 A233 Y238T232-H236 WeakPolarHBondContact CB-ND1 3.46Å; T232-H236 PolarHBondContact OG1-CE1 3.18Å; T232-H236 PolarHBondContact OG1-ND1 2.95Å; T232-H236 VanDerWaalsContact OG1-ND1 3.15Å; A233-H236 WeakPolarHBondContact O-CB 3.34Å; A233-H236 PolarHBondContact O-N 3.39Å; A233-H236 VanDerWaalsContact O-N 3.11Å; A233-H236 PolarHBondContact O-ND1 2.72Å; H236-Y238 PolarHBondContact O-N 3.43Å
237K86.4Confident89.2Confident129 Ų12937.1 Ų37.156%0.56118%0.181SC*.THydrogen-bonded Turntrans-76.1-14.4178.9-58.9-172.6178.8-178.70113.1Y235Y235-K237 PolarHBondContact O-N 2.91Å
238Y86.1Confident88.8Confident112 Ų11239.4 Ų39.444%0.43919%0.193SC..SBendtrans-99.8148.5-172.8-65-62.3000112Y235 H236 K242 V243 L246Y235-Y238 HydrophobicContact CD1-CD2 4.1Å; Y235-Y238 HydrophobicContact CD1-CE2 4.16Å; Y235-Y238 HydrophobicContact CG-CD2 4.45Å; Y235-Y238 PolarHBondContact O-N 3.35Å; H236-Y238 PolarHBondContact O-N 3.43Å; Y238-K242 HydrophobicContact CD1-CG 3.95Å; Y238-K242 HydrophobicContact CG-CG 4.09Å; Y238-V243 VanDerWaalsContact O-CG2 3.31Å; Y238-V243 WeakPolarHBondContact O-CG2 3.46Å; Y238-L246 HydrophobicContact CD1-CD1 4.44Å; Y238-L246 HydrophobicContact CD2-CD1 3.41Å; Y238-L246 VanDerWaalsContact CD2-CD1 3.41Å; Y238-L246 HydrophobicContact CE2-CD1 3.61Å; Y238-L246 HydrophobicContact CG-CD1 3.86Å
239P80.8Confident88.4Confident27 Ų2746 Ų4618%0.17522%0.224CC..  trans-64.1140.2172.625.7-33.5000111.9M241 K242 V243 Q497P239-M241 VanDerWaalsContact C-N 3.32Å; P239-M241 PolarHBondContact O-N 3.09Å; P239-K242 HydrophobicContact CG-CB 3.75Å; P239-K242 CarbonylContact O-C 3.37Å; P239-K242 WeakPolarHBondContact O-CA 3.5Å; P239-K242 WeakPolarHBondContact O-CB 3.45Å; P239-K242 PolarHBondContact O-N 2.95Å; P239-V243 PolarHBondContact O-N 3.15Å; P239-Q497 VanDerWaalsContact C-CD 3.47Å; P239-Q497 VanDerWaalsContact CA-CG 3.5Å; P239-Q497 HydrophobicContact CB-CB 3.25Å; P239-Q497 HydrophobicContact CB-CG 3.15Å; P239-Q497 VanDerWaalsContact CB-OE1 3.26Å; P239-Q497 HydrophobicContact CG-CB 4.44Å
240P79.1Confident88.1Confident44 Ų4449.6 Ų49.629%0.28624%0.243SC..Hα-helixtrans-36.6-42.4178.3-32.519.9000119.6P198 V243 L244 Q497P198-P240 HydrophobicContact CB-CB 4.25Å; P198-P240 HydrophobicContact CG-CB 3.62Å; P198-P240 HydrophobicContact CG-CG 3.8Å; P240-V243 WeakPolarHBondContact O-CB 3.36Å; P240-V243 PolarHBondContact O-N 3.17Å; P240-L244 WeakPolarHBondContact O-CB 3.45Å; P240-L244 PolarHBondContact O-N 2.89Å; P240-Q497 VanDerWaalsContact CB-CD 3.47Å; P240-Q497 VanDerWaalsContact CD-NE2 3.29Å; P240-Q497 HydrophobicContact CG-CG 4Å
241M76.7Confident88.1Confident103 Ų10353.8 Ų53.851%0.50727%0.273SS..Hα-helixtrans-67-39.4176.1-72-56.7-63.200111.8P239 L244 M245P239-M241 VanDerWaalsContact C-N 3.32Å; P239-M241 PolarHBondContact O-N 3.09Å; M241-L244 HydrophobicContact CE-CD2 4.12Å; M241-L244 WeakPolarHBondContact O-CB 3.42Å; M241-L244 PolarHBondContact O-N 3.15Å; M241-L244 HydrophobicContact SD-CD2 4.17Å; M241-M245 WeakPolarHBondContact O-CG 3.04Å; M241-M245 PolarHBondContact O-N 3.03Å
242K84.5Confident88.1Confident71 Ų7155.5 Ų55.531%0.30928%0.284SS..Hα-helixtrans-67.7-40172.3-170.4102.4177.4-169.20110.7Y238 P239 L244 M245 L246Y238-K242 HydrophobicContact CD1-CG 3.95Å; Y238-K242 HydrophobicContact CG-CG 4.09Å; P239-K242 HydrophobicContact CG-CB 3.75Å; P239-K242 CarbonylContact O-C 3.37Å; P239-K242 WeakPolarHBondContact O-CA 3.5Å; P239-K242 WeakPolarHBondContact O-CB 3.45Å; P239-K242 PolarHBondContact O-N 2.95Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.87Å; K242-M245 PolarHBondContact O-N 3.08Å; K242-L246 HydrophobicContact CG-CD1 3.97Å; K242-L246 HydrophobicContact CG-CG 4.29Å; K242-L246 WeakPolarHBondContact O-CB 3.38Å; K242-L246 WeakPolarHBondContact O-CG 3.32Å; K242-L246 PolarHBondContact O-N 3.15Å
243V86.2Confident88.3Confident0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-58.8-45.6174.2176.90000110.9P198 C199 Y235 Y238 P239 P240 T247P198-V243 HydrophobicContact CB-CB 4.26Å; P198-V243 HydrophobicContact CB-CG1 3.92Å; P198-V243 HydrophobicContact CG-CB 4.41Å; P198-V243 HydrophobicContact CG-CG1 4.31Å; C199-V243 HydrophobicContact CB-CG1 4.47Å; Y235-V243 HydrophobicContact CD2-CG1 4.49Å; Y235-V243 WeakPolarHBondContact O-CG2 3.32Å; Y238-V243 VanDerWaalsContact O-CG2 3.31Å; Y238-V243 WeakPolarHBondContact O-CG2 3.46Å; P239-V243 PolarHBondContact O-N 3.15Å; P240-V243 WeakPolarHBondContact O-CB 3.36Å; P240-V243 PolarHBondContact O-N 3.17Å; V243-T247 WeakPolarHBondContact O-CB 3.39Å; V243-T247 PolarHBondContact O-N 2.68Å; V243-T247 PolarHBondContact O-OG1 3.06Å
244L82.6Confident88.4Confident29 Ų2957.2 Ų57.215%0.15229%0.294CS..Hα-helixtrans-56.3-54.2174.6173.666.1000110.7M206 P240 M241 K242 L246 T247 L248M206-L244 HydrophobicContact CB-CD1 3.34Å; M206-L244 HydrophobicContact CG-CD1 3.42Å; M206-L244 VanDerWaalsContact CG-CD1 3.42Å; M206-L244 HydrophobicContact SD-CD1 3.54Å; M206-L244 VanDerWaalsContact SD-CD1 3.54Å; P240-L244 WeakPolarHBondContact O-CB 3.45Å; P240-L244 PolarHBondContact O-N 2.89Å; M241-L244 HydrophobicContact CE-CD2 4.12Å; M241-L244 WeakPolarHBondContact O-CB 3.42Å; M241-L244 PolarHBondContact O-N 3.15Å; M241-L244 HydrophobicContact SD-CD2 4.17Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.87Å; L244-L246 PolarHBondContact O-N 2.91Å; L244-T247 PolarHBondContact O-N 2.61Å; L244-L248 HydrophobicContact CD1-CD1 3.75Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.15Å; L244-L248 WeakPolarHBondContact O-CB 3.27Å; L244-L248 WeakPolarHBondContact O-CG 3.2Å; L244-L248 PolarHBondContact O-N 2.77Å
245M85.4Confident88.5Confident92 Ų9257 Ų5745%0.45329%0.293SS..Hα-helixtrans-59-49.5179.1-70.9179.273.800112.5M241 K242 T247 L248 Q249M241-M245 WeakPolarHBondContact O-CG 3.04Å; M241-M245 PolarHBondContact O-N 3.03Å; K242-M245 PolarHBondContact O-N 3.08Å; M245-T247 VanDerWaalsContact C-N 3.31Å; M245-T247 PolarHBondContact O-N 2.96Å; M245-L248 PolarHBondContact O-N 3.33Å; M245-Q249 VanDerWaalsContact O-CB 3.24Å; M245-Q249 WeakPolarHBondContact O-CB 3.33Å; M245-Q249 VanDerWaalsContact O-CG 3.31Å; M245-Q249 WeakPolarHBondContact O-CG 3.39Å; M245-Q249 PolarHBondContact O-N 3.44Å
246L90Very high88.7Confident28 Ų2859.3 Ų59.315%0.14731%0.306CS..Hα-helixtrans-60.5-42.7179.6-69.1170.7000111.1Y235 Y238 K242 L244 L248 N250Y235-L246 HydrophobicContact CD1-CD1 4.05Å; Y235-L246 HydrophobicContact CD2-CB 4.42Å; Y235-L246 HydrophobicContact CE1-CB 4.38Å; Y235-L246 HydrophobicContact CE1-CD1 4.37Å; Y235-L246 HydrophobicContact CE2-CB 4.22Å; Y235-L246 HydrophobicContact CG-CD1 4.4Å; Y238-L246 HydrophobicContact CD1-CD1 4.44Å; Y238-L246 HydrophobicContact CD2-CD1 3.41Å; Y238-L246 VanDerWaalsContact CD2-CD1 3.41Å; Y238-L246 HydrophobicContact CE2-CD1 3.61Å; Y238-L246 HydrophobicContact CG-CD1 3.86Å; K242-L246 HydrophobicContact CG-CD1 3.97Å; K242-L246 HydrophobicContact CG-CG 4.29Å; K242-L246 WeakPolarHBondContact O-CB 3.38Å; K242-L246 WeakPolarHBondContact O-CG 3.32Å; K242-L246 PolarHBondContact O-N 3.15Å; L244-L246 PolarHBondContact O-N 2.91Å; L246-L248 PolarHBondContact O-N 3.28Å; L246-N250 VanDerWaalsContact CD2-ND2 3.26Å; L246-N250 WeakPolarHBondContact CD2-ND2 3.48Å; L246-N250 VanDerWaalsContact O-CB 3.24Å; L246-N250 WeakPolarHBondContact O-CB 2.98Å; L246-N250 PolarHBondContact O-N 3.33Å
247T89.9Confident88.9Confident6 Ų659.5 Ų59.54%0.03731%0.311CS..Hα-helixtrans-66.1-37.6179.8-58.30000111.9M206 W219 V243 L244 M245 K282M206-T247 HydrophobicContact CE-CG2 3.86Å; M206-T247 HydrophobicContact SD-CG2 3.61Å; W219-T247 HydrophobicContact CH2-CG2 4.41Å; W219-T247 HydrophobicContact CZ2-CG2 3.75Å; V243-T247 WeakPolarHBondContact O-CB 3.39Å; V243-T247 PolarHBondContact O-N 2.68Å; V243-T247 PolarHBondContact O-OG1 3.06Å; L244-T247 PolarHBondContact O-N 2.61Å; M245-T247 VanDerWaalsContact C-N 3.31Å; M245-T247 PolarHBondContact O-N 2.96Å; T247-K282 WeakPolarHBondContact O-CE 3.22Å; T247-K282 PolarHBondContact O-NZ 3.1Å
248L88.6Confident89Confident54 Ų5454.4 Ų54.428%0.28329%0.292SS..Hα-helixtrans-77.8-45.8178.7-67.4178.5000112.3P203 M206 E207 L244 M245 L246 K282P203-L248 HydrophobicContact CB-CD2 3.73Å; P203-L248 WeakPolarHBondContact O-CD2 3.3Å; M206-L248 HydrophobicContact CB-CD1 4.44Å; M206-L248 HydrophobicContact CB-CD2 3.99Å; M206-L248 HydrophobicContact CB-CG 4.4Å; M206-L248 HydrophobicContact SD-CD2 4.49Å; M206-L248 HydrophobicContact SD-CG 4.43Å; E207-L248 HydrophobicContact CG-CD2 3.74Å; L244-L248 HydrophobicContact CD1-CD1 3.75Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.15Å; L244-L248 WeakPolarHBondContact O-CB 3.27Å; L244-L248 WeakPolarHBondContact O-CG 3.2Å; L244-L248 PolarHBondContact O-N 2.77Å; M245-L248 PolarHBondContact O-N 3.33Å; L246-L248 PolarHBondContact O-N 3.28Å; L248-K282 PolarHBondContact O-NZ 3.25Å
249Q89.9Confident89.3Confident138 Ų13850.7 Ų50.765%0.64529%0.285SS*.Hα-helixtrans-86.4-33.6-168.7-63.9176-1900114M245M245-Q249 VanDerWaalsContact O-CB 3.24Å; M245-Q249 WeakPolarHBondContact O-CB 3.33Å; M245-Q249 VanDerWaalsContact O-CG 3.31Å; M245-Q249 WeakPolarHBondContact O-CG 3.39Å; M245-Q249 PolarHBondContact O-N 3.44Å
250N91.4Very high89.8Confident76 Ų7656.6 Ų56.641%0.40631%0.31SS..SBendtrans-89.2168.6-176.2-65.1-16.7000112.4L246 K282L246-N250 VanDerWaalsContact CD2-ND2 3.26Å; L246-N250 WeakPolarHBondContact CD2-ND2 3.48Å; L246-N250 VanDerWaalsContact O-CB 3.24Å; L246-N250 WeakPolarHBondContact O-CB 2.98Å; L246-N250 PolarHBondContact O-N 3.33Å; N250-K282 VanDerWaalsContact O-CE 3.22Å; N250-K282 WeakPolarHBondContact O-CE 3.24Å; N250-K282 PolarHBondContact O-NZ 3.31Å
251S94.1Very high90.4Very high100 Ų10059.2 Ų59.270%0.69932%0.318SS*.PPolyproline II helixtrans-55.6150163.9-62.30000111
252P96.1Very high91.1Very high40 Ų4063.1 Ų63.126%0.2633%0.332SS..PPolyproline II helixtrans-51.5143.1175.9-25.533.4000112.5W219 L280 K282W219-P252 HydrophobicContact CH2-CB 4.19Å; W219-P252 HydrophobicContact CZ3-CB 4.38Å; P252-L280 HydrophobicContact CB-CB 4.08Å; P252-L280 WeakPolarHBondContact CB-O 3.3Å; P252-L280 WeakPolarHBondContact CG-O 3.46Å; P252-K282 HydrophobicContact CG-CD 4.19Å; P252-K282 HydrophobicContact CG-CG 4.01Å
253P96.7Very high91.4Very high5 Ų564.2 Ų64.23%0.03234%0.341CS..PPolyproline II helixtrans-65.3154.4-179.524.4-28.6000111I223 P234 Y235 T257 L280I223-P253 HydrophobicContact CD1-CG 3.85Å; P234-P253 HydrophobicContact CB-CB 3.71Å; P234-P253 HydrophobicContact CB-CG 4.36Å; P234-P253 HydrophobicContact CG-CB 3.73Å; P234-P253 HydrophobicContact CG-CG 4.05Å; Y235-P253 HydrophobicContact CE2-CB 4.32Å; Y235-P253 HydrophobicContact CE2-CG 4.29Å; P253-T257 WeakPolarHBondContact CA-OG1 3.25Å; P253-T257 HydrophobicContact CB-CG2 4.15Å; P253-L280 HydrophobicContact CG-CD1 4.11Å; P253-L280 WeakPolarHBondContact O-CD1 3.28Å
254T97.3Very high91.8Very high71 Ų7164.7 Ų64.744%0.43634%0.344SS..  trans-122.4173.8175.373.30000109.2D256 T257T254-D256 PolarHBondContact O-N 2.55Å; T254-D256 VanDerWaalsContact O-N 3.15Å; T254-D256 PolarHBondContact OG1-N 3.27Å; T254-T257 PolarHBondContact N-OG1 3.34Å; T254-T257 WeakPolarHBondContact O-CB 3.32Å; T254-T257 PolarHBondContact O-N 2.78Å; T254-T257 VanDerWaalsContact O-N 3.09Å; T254-T257 PolarHBondContact O-OG1 2.75Å
255L96.6Very high92.5Very high3 Ų364 Ų642%0.01634%0.339CS..THydrogen-bonded Turntrans-57-28.8175.8-174.862.3000113I226 A229 T230 Y265 Y268 F272 R273 I276I226-L255 HydrophobicContact CG2-CD1 4.34Å; A229-L255 HydrophobicContact CB-CD1 3.59Å; T230-L255 HydrophobicContact CG2-CD1 3.77Å; L255-Y265 HydrophobicContact CG-CD2 4.4Å; L255-Y265 HydrophobicContact CG-CG 4.37Å; L255-Y265 WeakPolarHBondContact O-CD2 3.47Å; L255-Y268 HydrophobicContact CD2-CD2 3.62Å; L255-Y268 HydrophobicContact CD2-CE2 4.45Å; L255-Y268 HydrophobicContact CD2-CG 3.67Å; L255-F272 HydrophobicContact CD1-CE1 4.34Å; L255-F272 HydrophobicContact CD2-CD1 4.21Å; L255-F272 HydrophobicContact CD2-CE1 4.16Å; L255-R273 HydrophobicContact CD2-CG 4.46Å; L255-I276 HydrophobicContact CB-CD1 4.44Å
256D95.6Very high92.9Very high65 Ų6567 Ų6735%0.34835%0.35SS..THydrogen-bonded Turntrans-95.24.2-177.9-45.7-59.9000113T254 S258 A259 R273T254-D256 PolarHBondContact O-N 2.55Å; T254-D256 VanDerWaalsContact O-N 3.15Å; T254-D256 PolarHBondContact OG1-N 3.27Å; D256-S258 PolarHBondContact O-N 2.81Å; D256-A259 HydrophobicContact CB-CB 4.14Å; D256-A259 VanDerWaalsContact O-CB 3.31Å; D256-A259 WeakPolarHBondContact O-CB 3.32Å; D256-A259 PolarHBondContact O-N 3.25Å; D256-R273 IonicContact OD1-CZ 2.68Å; D256-R273 IonicContact OD1-NH1 3.63Å; D256-R273 PolarHBondContact OD1-NH1 2.88Å; D256-R273 IonicContact OD1-NH2 3.73Å; D256-R273 PolarHBondContact OD1-NH2 3.31Å; D256-R273 IonicContact OD2-CZ 2.84Å; D256-R273 IonicContact OD2-NH1 3.16Å; D256-R273 PolarHBondContact OD2-NH1 3.14Å; D256-R273 IonicContact OD2-NH2 2.89Å
257T94Very high93.1Very high56 Ų5670.3 Ų70.334%0.34436%0.364SS..THydrogen-bonded Turntrans-59.9-32.4-178.5-70.40000113P234 Y235 P253 T254P234-T257 HydrophobicContact CB-CG2 4Å; Y235-T257 HydrophobicContact CD1-CG2 4.29Å; Y235-T257 HydrophobicContact CE1-CG2 3.56Å; P253-T257 WeakPolarHBondContact CA-OG1 3.25Å; P253-T257 HydrophobicContact CB-CG2 4.15Å; T254-T257 PolarHBondContact N-OG1 3.34Å; T254-T257 WeakPolarHBondContact O-CB 3.32Å; T254-T257 PolarHBondContact O-N 2.78Å; T254-T257 VanDerWaalsContact O-N 3.09Å; T254-T257 PolarHBondContact O-OG1 2.75Å
258S88.1Confident93.5Very high23 Ų2370.2 Ų70.216%0.16136%0.363CS..THydrogen-bonded Turntrans-104.713176.263.90000113.3D256D256-S258 PolarHBondContact O-N 2.81Å
259A92.3Very high93.9Very high34 Ų3468.8 Ų68.828%0.28136%0.362SS..  trans-69.2134.1-179.700000110.9D256 Q264 Y265D256-A259 HydrophobicContact CB-CB 4.14Å; D256-A259 VanDerWaalsContact O-CB 3.31Å; D256-A259 WeakPolarHBondContact O-CB 3.32Å; D256-A259 PolarHBondContact O-N 3.25Å; A259-Q264 HydrophobicContact CB-CB 4.23Å; A259-Y265 HydrophobicContact CB-CD2 4.14Å; A259-Y265 HydrophobicContact CB-CE2 4.02Å
260Q90.7Very high94.3Very high151 Ų15171.1 Ų71.171%0.70637%0.37SS*.SBendtrans-88.8-24177.7-66.8177.7-40.400112.2
261E91.8Very high94.6Very high99 Ų9969.7 Ų69.746%0.46336%0.364SS..SBendtrans-130.4150.5-178.9-66.3175.9-169.700110.2K122 D263 Q264K122-E261 VanDerWaalsContact CE-CD 3.49Å; K122-E261 VanDerWaalsContact CE-OE1 3.29Å; K122-E261 WeakPolarHBondContact CE-OE1 3.49Å; K122-E261 WeakPolarHBondContact CE-OE2 3.27Å; K122-E261 IonicContact NZ-OE1 2.72Å; K122-E261 PolarHBondContact NZ-OE1 3.06Å; K122-E261 IonicContact NZ-OE2 2.97Å; K122-E261 PolarHBondContact NZ-OE2 2.79Å; E261-D263 PolarHBondContact O-N 3.44Å; E261-Q264 WeakPolarHBondContact O-CB 3.4Å; E261-Q264 PolarHBondContact O-N 3.32Å
262K90.5Very high94.8Very high184 Ų18464.9 Ų64.980%0.833%0.33SS*.THydrogen-bonded Turntrans-58.9135.2171.6-172.1-179.3174.7-179.10109.6Q264K262-Q264 PolarHBondContact O-N 3.23Å
263D91.4Very high94.9Very high94 Ų9466.1 Ų66.150%0.50333%0.33SS..THydrogen-bonded Turntrans63.718.4177.7-55.6-43.4000115E261 Y265 K266E261-D263 PolarHBondContact O-N 3.44Å; D263-Y265 PolarHBondContact O-N 3.1Å; D263-K266 HydrophobicContact CB-CB 3.98Å; D263-K266 HydrophobicContact CB-CD 3.83Å; D263-K266 HydrophobicContact CB-CG 4.4Å; D263-K266 VanDerWaalsContact O-CB 3.25Å; D263-K266 WeakPolarHBondContact O-CB 3.5Å; D263-K266 WeakPolarHBondContact O-CD 3.47Å; D263-K266 VanDerWaalsContact O-CG 3.26Å; D263-K266 WeakPolarHBondContact O-CG 3.47Å; D263-K266 PolarHBondContact O-N 2.63Å; D263-K266 VanDerWaalsContact O-N 3.1Å
264Q95.2Very high95Very high11 Ų1171.4 Ų71.45%0.05135%0.352CS..THydrogen-bonded Turntrans-51-43.5178.8-177.3173.65.400112.7K122 H123 A259 E261 K262K122-Q264 WeakPolarHBondContact O-CG 3.42Å; K122-Q264 PolarHBondContact O-NE2 3.28Å; H123-Q264 PolarHBondContact ND1-O 3.11Å; A259-Q264 HydrophobicContact CB-CB 4.23Å; E261-Q264 WeakPolarHBondContact O-CB 3.4Å; E261-Q264 PolarHBondContact O-N 3.32Å; K262-Q264 PolarHBondContact O-N 3.23Å
265Y96.1Very high95Very high13 Ų1368 Ų685%0.05133%0.331CS..THydrogen-bonded Turntrans-105.826-177.4-58.9-54.3000112.9T230 L255 A259 D263 H267 Y268 R273T230-Y265 HydrophobicContact CG2-CD2 4.35Å; T230-Y265 HydrophobicContact CG2-CE1 4.15Å; T230-Y265 HydrophobicContact CG2-CE2 3.77Å; L255-Y265 HydrophobicContact CG-CD2 4.4Å; L255-Y265 HydrophobicContact CG-CG 4.37Å; L255-Y265 WeakPolarHBondContact O-CD2 3.47Å; A259-Y265 HydrophobicContact CB-CD2 4.14Å; A259-Y265 HydrophobicContact CB-CE2 4.02Å; D263-Y265 PolarHBondContact O-N 3.1Å; Y265-H267 PolarHBondContact O-N 3.17Å; Y265-Y268 HydrophobicContact CD1-CD2 4.4Å; Y265-Y268 HydrophobicContact CD1-CE2 4.03Å; Y265-Y268 HydrophobicContact CG-CD2 4.49Å; Y265-Y268 PolarHBondContact O-N 3.21Å; Y265-R273 PolarHBondContact O-NH2 3.32Å
266K94.8Very high95.1Very high156 Ų15668.1 Ų68.168%0.67833%0.332SS*.THydrogen-bonded Turntrans-62.1-23-175.370.5-170.1-176-171.60115.6D263 Y268D263-K266 HydrophobicContact CB-CB 3.98Å; D263-K266 HydrophobicContact CB-CD 3.83Å; D263-K266 HydrophobicContact CB-CG 4.4Å; D263-K266 VanDerWaalsContact O-CB 3.25Å; D263-K266 WeakPolarHBondContact O-CB 3.5Å; D263-K266 WeakPolarHBondContact O-CD 3.47Å; D263-K266 VanDerWaalsContact O-CG 3.26Å; D263-K266 WeakPolarHBondContact O-CG 3.47Å; D263-K266 PolarHBondContact O-N 2.63Å; D263-K266 VanDerWaalsContact O-N 3.1Å; K266-Y268 VanDerWaalsContact C-N 3.27Å; K266-Y268 PolarHBondContact O-N 3.25Å
267H94.7Very high95.2Very high98 Ų9867.4 Ų67.445%0.45434%0.335SS..THydrogen-bonded Turntrans-75.4-18.4-178.669.6-73.7000112.2H123 Y265 G269H123-H267 PolarHBondContact O-CE1 3.2Å; H123-H267 PolarHBondContact O-ND1 2.98Å; H123-H267 PolarHBondContact O-NE2 3.32Å; Y265-H267 PolarHBondContact O-N 3.17Å; H267-G269 PolarHBondContact O-N 2.98Å
268Y97.3Very high95.4Very high3 Ų367.6 Ų67.61%0.01233%0.332CS..SBendtrans-74.2118.6169.1-67.5-73.9000110.5G124 L126 E128 I131 A229 L255 Y265 K266 F272 R273G124-Y268 WeakPolarHBondContact CA-OH 3.48Å; L126-Y268 WeakPolarHBondContact O-CE1 3.35Å; L126-Y268 PolarHBondContact O-OH 2.93Å; E128-Y268 HydrophobicContact CG-CD1 3.62Å; E128-Y268 HydrophobicContact CG-CE1 4.2Å; E128-Y268 WeakPolarHBondContact OE1-CA 3.39Å; I131-Y268 HydrophobicContact CD1-CE1 3.88Å; A229-Y268 WeakPolarHBondContact CA-OH 3.41Å; A229-Y268 HydrophobicContact CB-CE1 3.89Å; A229-Y268 HydrophobicContact CB-CE2 3.91Å; A229-Y268 PolarHBondContact O-OH 2.86Å; L255-Y268 HydrophobicContact CD2-CD2 3.62Å; L255-Y268 HydrophobicContact CD2-CE2 4.45Å; L255-Y268 HydrophobicContact CD2-CG 3.67Å; Y265-Y268 HydrophobicContact CD1-CD2 4.4Å; Y265-Y268 HydrophobicContact CD1-CE2 4.03Å; Y265-Y268 HydrophobicContact CG-CD2 4.49Å; Y265-Y268 PolarHBondContact O-N 3.21Å; K266-Y268 VanDerWaalsContact C-N 3.27Å; K266-Y268 PolarHBondContact O-N 3.25Å; Y268-F272 AromaticContact CD1-CD1 3.76Å; Y268-F272 HydrophobicContact CD1-CD1 3.76Å; Y268-F272 AromaticContact CD1-CE1 3.83Å; Y268-F272 HydrophobicContact CD1-CE1 3.83Å; Y268-F272 HydrophobicContact CE1-CE1 4.31Å; Y268-F272 HydrophobicContact CG-CD1 4.13Å; Y268-F272 HydrophobicContact CG-CE1 4.32Å; Y268-R273 PolarHBondContact O-NE 2.8Å
269G97.1Very high95.9Very high24 Ų2466.5 Ų66.525%0.24733%0.325CS..  trans-75.8166.9-169.400000114.6E128 H267 T271 F272 R273E128-G269 PolarHBondContact OE1-N 2.87Å; H267-G269 PolarHBondContact O-N 2.98Å; G269-T271 PolarHBondContact O-N 3.42Å; G269-T271 VanDerWaalsContact O-N 3.17Å; G269-F272 PolarHBondContact O-N 3.25Å; G269-F272 VanDerWaalsContact O-N 3.1Å; G269-R273 PolarHBondContact O-N 2.93Å
270K97.5Very high96.2Very high188 Ų18865 Ų6582%0.81731%0.312SS*.Hα-helixtrans-57.2-33.5-177.9-64.3-177.3-179.9179.90113.4K274K270-K274 WeakPolarHBondContact O-CB 3.42Å; K270-K274 PolarHBondContact O-N 3.12Å
271T98Very high96.5Very high45 Ų4561 Ų6128%0.27629%0.293SS..Hα-helixtrans-67.7-37179.251.10000112.4G269 M275 H296 S297G269-T271 PolarHBondContact O-N 3.42Å; G269-T271 VanDerWaalsContact O-N 3.17Å; T271-M275 PolarHBondContact O-N 3.26Å; T271-M275 VanDerWaalsContact O-N 3.15Å; T271-H296 PolarHBondContact O-CE1 3.33Å; T271-S297 WeakPolarHBondContact CG2-OG 3.38Å
272F98.5Very high96.5Very high0 Ų059 Ų590%028%0.283CS..Hα-helixtrans-71-46.7177.9-178.1-130.6000111.1E128 I131 A225 A229 L255 Y268 G269 K274 M275 I276 F298E128-F272 WeakPolarHBondContact OE1-CB 3.28Å; I131-F272 HydrophobicContact CD1-CE1 4.48Å; I131-F272 HydrophobicContact CD1-CZ 4.12Å; I131-F272 HydrophobicContact CG2-CE2 3.74Å; I131-F272 HydrophobicContact CG2-CZ 3.97Å; A225-F272 HydrophobicContact CB-CE2 4.02Å; A225-F272 HydrophobicContact CB-CZ 4.19Å; A225-F272 WeakPolarHBondContact O-CZ 3.48Å; A229-F272 HydrophobicContact CB-CE1 3.93Å; A229-F272 HydrophobicContact CB-CZ 4.23Å; L255-F272 HydrophobicContact CD1-CE1 4.34Å; L255-F272 HydrophobicContact CD2-CD1 4.21Å; L255-F272 HydrophobicContact CD2-CE1 4.16Å; Y268-F272 AromaticContact CD1-CD1 3.76Å; Y268-F272 HydrophobicContact CD1-CD1 3.76Å; Y268-F272 AromaticContact CD1-CE1 3.83Å; Y268-F272 HydrophobicContact CD1-CE1 3.83Å; Y268-F272 HydrophobicContact CE1-CE1 4.31Å; Y268-F272 HydrophobicContact CG-CD1 4.13Å; Y268-F272 HydrophobicContact CG-CE1 4.32Å; G269-F272 PolarHBondContact O-N 3.25Å; G269-F272 VanDerWaalsContact O-N 3.1Å; F272-K274 VanDerWaalsContact C-N 3.29Å; F272-K274 PolarHBondContact O-N 3.25Å; F272-M275 HydrophobicContact CD2-CE 3.7Å; F272-M275 HydrophobicContact CE2-CE 3.63Å; F272-M275 WeakPolarHBondContact O-CB 3.26Å; F272-M275 PolarHBondContact O-N 3.48Å; F272-M275 VanDerWaalsContact O-N 3.12Å; F272-I276 HydrophobicContact CD1-CD1 4Å; F272-I276 HydrophobicContact CD2-CD1 4.31Å; F272-I276 HydrophobicContact CE1-CD1 3.68Å; F272-I276 HydrophobicContact CE2-CD1 4.01Å; F272-I276 HydrophobicContact CE2-CG1 4.32Å; F272-I276 HydrophobicContact CG-CD1 4.32Å; F272-I276 HydrophobicContact CZ-CD1 3.7Å; F272-I276 HydrophobicContact CZ-CG1 4.45Å; F272-I276 PolarHBondContact O-N 2.87Å; F272-F298 HydrophobicContact CB-CD2 3.71Å; F272-F298 HydrophobicContact CB-CE2 3.56Å; F272-F298 HydrophobicContact CB-CZ 4.32Å; F272-F298 HydrophobicContact CD2-CD1 4.18Å; F272-F298 AromaticContact CD2-CD2 3.95Å; F272-F298 HydrophobicContact CD2-CD2 3.95Å; F272-F298 AromaticContact CD2-CE1 3.67Å; F272-F298 HydrophobicContact CD2-CE1 3.67Å; F272-F298 AromaticContact CD2-CE2 3.42Å; F272-F298 HydrophobicContact CD2-CE2 3.42Å; F272-F298 VanDerWaalsContact CD2-CE2 3.42Å; F272-F298 HydrophobicContact CD2-CG 4.31Å; F272-F298 AromaticContact CD2-CZ 3.26Å; F272-F298 HydrophobicContact CD2-CZ 3.26Å; F272-F298 HydrophobicContact CE2-CE1 4.01Å; F272-F298 HydrophobicContact CE2-CE2 4.32Å; F272-F298 AromaticContact CE2-CZ 3.73Å; F272-F298 HydrophobicContact CE2-CZ 3.73Å; F272-F298 HydrophobicContact CG-CD2 4.25Å; F272-F298 AromaticContact CG-CE2 3.73Å; F272-F298 HydrophobicContact CG-CE2 3.73Å; F272-F298 HydrophobicContact CG-CZ 4Å
273R98.3Very high96.6Very high65 Ų6553.2 Ų53.225%0.24526%0.26CS..Hα-helixtrans-58.7-39.8175.9-66.3170.8174.3-822.3112.2L255 D256 Y265 Y268 G269 I276 A277L255-R273 HydrophobicContact CD2-CG 4.46Å; D256-R273 IonicContact OD1-CZ 2.68Å; D256-R273 IonicContact OD1-NH1 3.63Å; D256-R273 PolarHBondContact OD1-NH1 2.88Å; D256-R273 IonicContact OD1-NH2 3.73Å; D256-R273 PolarHBondContact OD1-NH2 3.31Å; D256-R273 IonicContact OD2-CZ 2.84Å; D256-R273 IonicContact OD2-NH1 3.16Å; D256-R273 PolarHBondContact OD2-NH1 3.14Å; D256-R273 IonicContact OD2-NH2 2.89Å; Y265-R273 PolarHBondContact O-NH2 3.32Å; Y268-R273 PolarHBondContact O-NE 2.8Å; G269-R273 PolarHBondContact O-N 2.93Å; R273-I276 PolarHBondContact O-N 2.59Å; R273-A277 WeakPolarHBondContact O-CB 3.28Å; R273-A277 PolarHBondContact O-N 2.7Å
274K98.3Very high96.7Very high117 Ų11750.1 Ų50.151%0.50925%0.246SC..Hα-helixtrans-62.7-45.8174.4-179.5175.4169.7177.20112K270 F272 I276 A277 E278K270-K274 WeakPolarHBondContact O-CB 3.42Å; K270-K274 PolarHBondContact O-N 3.12Å; F272-K274 VanDerWaalsContact C-N 3.29Å; F272-K274 PolarHBondContact O-N 3.25Å; K274-I276 PolarHBondContact O-N 3.19Å; K274-A277 PolarHBondContact O-N 2.81Å; K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 IonicContact NZ-OE1 2.83Å; K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 2.89Å
275M98.6Very high96.6Very high0 Ų053.8 Ų53.80%027%0.272CS..Hα-helixtrans-59-47.4176.9-177.8-82.4-66.300111.4L135 F221 A225 T271 F272 A277 E278 C279 L293 F298 F299L135-M275 HydrophobicContact CD1-CE 4.01Å; F221-M275 HydrophobicContact CD1-SD 4.48Å; F221-M275 HydrophobicContact CE1-CE 4.46Å; F221-M275 HydrophobicContact CE1-SD 3.73Å; A225-M275 HydrophobicContact CB-CE 3.83Å; T271-M275 PolarHBondContact O-N 3.26Å; T271-M275 VanDerWaalsContact O-N 3.15Å; F272-M275 HydrophobicContact CD2-CE 3.7Å; F272-M275 HydrophobicContact CE2-CE 3.63Å; F272-M275 WeakPolarHBondContact O-CB 3.26Å; F272-M275 PolarHBondContact O-N 3.48Å; F272-M275 VanDerWaalsContact O-N 3.12Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.38Å; M275-E278 PolarHBondContact O-N 2.69Å; M275-C279 PolarHBondContact O-N 3.06Å; M275-C279 PolarHBondContact O-SG 2.85Å; M275-L293 HydrophobicContact CG-CD2 4.06Å; M275-F298 HydrophobicContact CE-CD1 4.16Å; M275-F298 HydrophobicContact CE-CE1 4.24Å; M275-F299 HydrophobicContact CG-CE2 4.48Å
276I98.6Very high96.6Very high4 Ų459.7 Ų59.72%0.02130%0.298CS..Hα-helixtrans-57.1-46.5176-69.1167.9000110.7A225 I226 L255 F272 R273 K274 E278 C279 L280A225-I276 HydrophobicContact CB-CD1 4.44Å; A225-I276 HydrophobicContact CB-CG1 4.01Å; I226-I276 HydrophobicContact CD1-CG2 3.9Å; I226-I276 HydrophobicContact CG1-CD1 3.98Å; I226-I276 HydrophobicContact CG1-CG1 4.49Å; I226-I276 HydrophobicContact CG1-CG2 3.95Å; L255-I276 HydrophobicContact CB-CD1 4.44Å; F272-I276 HydrophobicContact CD1-CD1 4Å; F272-I276 HydrophobicContact CD2-CD1 4.31Å; F272-I276 HydrophobicContact CE1-CD1 3.68Å; F272-I276 HydrophobicContact CE2-CD1 4.01Å; F272-I276 HydrophobicContact CE2-CG1 4.32Å; F272-I276 HydrophobicContact CG-CD1 4.32Å; F272-I276 HydrophobicContact CZ-CD1 3.7Å; F272-I276 HydrophobicContact CZ-CG1 4.45Å; F272-I276 PolarHBondContact O-N 2.87Å; R273-I276 PolarHBondContact O-N 2.59Å; K274-I276 PolarHBondContact O-N 3.19Å; I276-E278 VanDerWaalsContact C-N 3.35Å; I276-E278 PolarHBondContact O-N 2.98Å; I276-C279 PolarHBondContact O-N 2.66Å; I276-L280 HydrophobicContact CG2-CD1 3.58Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.49Å; I276-L280 PolarHBondContact O-N 3.28Å
277A98.3Very high96.7Very high51 Ų5152.4 Ų52.442%0.42127%0.266SS..Hα-helixtrans-64.6-35.5179.700000113.1R273 K274 M275 Q281R273-A277 WeakPolarHBondContact O-CB 3.28Å; R273-A277 PolarHBondContact O-N 2.7Å; K274-A277 PolarHBondContact O-N 2.81Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.38Å; A277-Q281 PolarHBondContact O-NE2 3.06Å
278E98.3Very high96.9Very high60 Ų6048.6 Ų48.628%0.2825%0.251SS..Hα-helixtrans-67.6-37174.6-72.7176.3179.600111.7K274 M275 I276 Q281 P288 H296K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 IonicContact NZ-OE1 2.83Å; K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 2.89Å; M275-E278 PolarHBondContact O-N 2.69Å; I276-E278 VanDerWaalsContact C-N 3.35Å; I276-E278 PolarHBondContact O-N 2.98Å; E278-Q281 WeakPolarHBondContact O-CG 3.22Å; E278-P288 HydrophobicContact CB-CG 4.26Å; E278-P288 WeakPolarHBondContact O-CD 3.06Å; E278-H296 IonicContact OE2-CD2 2.73Å; E278-H296 PolarHBondContact OE2-CD2 3.07Å; E278-H296 VanDerWaalsContact OE2-CD2 3.23Å; E278-H296 IonicContact OE2-NE2 3.64Å
279C98.5Very high97Very high0 Ų050.3 Ų50.30%026%0.261CS..Hα-helixtrans-70.2-42.5174.7-65.30000112.8I218 M275 I276 Q281 R287I218-C279 HydrophobicContact CG2-CB 4.19Å; I218-C279 WeakPolarHBondContact O-CB 3.32Å; M275-C279 PolarHBondContact O-N 3.06Å; M275-C279 PolarHBondContact O-SG 2.85Å; I276-C279 PolarHBondContact O-N 2.66Å; C279-Q281 VanDerWaalsContact C-N 3.33Å; C279-Q281 PolarHBondContact O-N 2.95Å; C279-Q281 VanDerWaalsContact O-N 3.14Å; C279-R287 VanDerWaalsContact O-CD 3.28Å; C279-R287 WeakPolarHBondContact O-CD 3.5Å; C279-R287 WeakPolarHBondContact O-CG 3.21Å
280L98.1Very high97Very high2 Ų249.2 Ų49.21%0.0125%0.25CS..  trans-91.863.2-173.2-59.8-179.5000111.7W219 I223 I226 P252 P253 I276W219-L280 HydrophobicContact CD2-CD2 3.73Å; W219-L280 HydrophobicContact CE3-CB 4.46Å; W219-L280 HydrophobicContact CE3-CD2 4.02Å; W219-L280 HydrophobicContact CG-CD2 4.03Å; W219-L280 HydrophobicContact CZ2-CD2 4.36Å; W219-L280 HydrophobicContact CZ3-CB 4.33Å; W219-L280 HydrophobicContact CZ3-CD2 4.46Å; W219-L280 WeakPolarHBondContact O-CD2 3.4Å; I223-L280 HydrophobicContact CD1-CD1 4.17Å; I223-L280 HydrophobicContact CD1-CD2 3.77Å; I223-L280 HydrophobicContact CG1-CD2 4.04Å; I226-L280 HydrophobicContact CD1-CD1 3.69Å; P252-L280 HydrophobicContact CB-CB 4.08Å; P252-L280 WeakPolarHBondContact CB-O 3.3Å; P252-L280 WeakPolarHBondContact CG-O 3.46Å; P253-L280 HydrophobicContact CG-CD1 4.11Å; P253-L280 WeakPolarHBondContact O-CD1 3.28Å; I276-L280 HydrophobicContact CG2-CD1 3.58Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.49Å; I276-L280 PolarHBondContact O-N 3.28Å
281Q97.1Very high97Very high66 Ų6642.5 Ų42.531%0.30823%0.227SC..  trans-102.9133171.9-64.4-68.9-43.600109.6A277 E278 C279 D283 K286 R287A277-Q281 PolarHBondContact O-NE2 3.06Å; E278-Q281 WeakPolarHBondContact O-CG 3.22Å; C279-Q281 VanDerWaalsContact C-N 3.33Å; C279-Q281 PolarHBondContact O-N 2.95Å; C279-Q281 VanDerWaalsContact O-N 3.14Å; Q281-D283 VanDerWaalsContact C-N 3.28Å; Q281-D283 PolarHBondContact O-N 3.27Å; Q281-K286 HydrophobicContact CB-CB 4.04Å; Q281-K286 HydrophobicContact CG-CB 4.06Å; Q281-R287 HydrophobicContact CB-CG 3.93Å; Q281-R287 VanDerWaalsContact O-CZ 3.29Å; Q281-R287 PolarHBondContact O-NE 2.9Å; Q281-R287 PolarHBondContact O-NH2 3.02Å
282K92.2Very high97Very high59 Ų5945.4 Ų45.426%0.25724%0.237SC..SBendtrans-59.6-43.6176.4-65.9-55.4-172.983.30111.5P203 W219 T247 L248 N250 P252 P284 R287P203-K282 HydrophobicContact CB-CD 4.16Å; P203-K282 HydrophobicContact CG-CD 3.8Å; W219-K282 HydrophobicContact CH2-CD 4.02Å; W219-K282 HydrophobicContact CZ3-CD 4.1Å; T247-K282 WeakPolarHBondContact O-CE 3.22Å; T247-K282 PolarHBondContact O-NZ 3.1Å; L248-K282 PolarHBondContact O-NZ 3.25Å; N250-K282 VanDerWaalsContact O-CE 3.22Å; N250-K282 WeakPolarHBondContact O-CE 3.24Å; N250-K282 PolarHBondContact O-NZ 3.31Å; P252-K282 HydrophobicContact CG-CD 4.19Å; P252-K282 HydrophobicContact CG-CG 4.01Å; K282-P284 VanDerWaalsContact O-CD 3.31Å; K282-P284 WeakPolarHBondContact O-CD 3.47Å; K282-R287 PolarHBondContact O-NH2 2.95Å
283D92.1Very high97Very high61 Ų6145.4 Ų45.433%0.32624%0.237SC..SBendtrans-74.5114.2173.9179.7-7.8000110.5Q281 S285 K286Q281-D283 VanDerWaalsContact C-N 3.28Å; Q281-D283 PolarHBondContact O-N 3.27Å; D283-S285 PolarHBondContact O-N 2.84Å; D283-S285 WeakPolarHBondContact OD1-CB 3.05Å; D283-S285 PolarHBondContact OD1-N 3.21Å; D283-S285 PolarHBondContact OD1-OG 2.85Å; D283-S285 PolarHBondContact OD2-OG 3.43Å; D283-K286 HydrophobicContact CB-CD 4.01Å; D283-K286 HydrophobicContact CB-CG 4.13Å; D283-K286 PolarHBondContact O-N 2.83Å; D283-K286 VanDerWaalsContact OD2-CE 3.25Å; D283-K286 WeakPolarHBondContact OD2-CE 3.28Å; D283-K286 IonicContact OD2-NZ 3.54Å
284P92.5Very high97Very high30 Ų3044.2 Ų44.220%0.19524%0.236CC..G310 helixtrans-62.5-27.6-178.6-20.833.2000113.5E204 K215 K282 K286 R287E204-P284 HydrophobicContact CB-CG 4.13Å; E204-P284 HydrophobicContact CG-CG 3.75Å; K215-P284 HydrophobicContact CB-CB 3.95Å; K215-P284 WeakPolarHBondContact CG-O 3.37Å; K215-P284 PolarHBondContact NZ-O 3.41Å; K282-P284 VanDerWaalsContact O-CD 3.31Å; K282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-K286 PolarHBondContact O-N 3.5Å; P284-R287 WeakPolarHBondContact O-CB 3.31Å; P284-R287 PolarHBondContact O-N 3.27Å
285S93.1Very high97Very high87 Ų8746.8 Ų46.861%0.60825%0.247SC*.G310 helixtrans-66.4-28-179.773.80000112.5D283 R287D283-S285 PolarHBondContact O-N 2.84Å; D283-S285 WeakPolarHBondContact OD1-CB 3.05Å; D283-S285 PolarHBondContact OD1-N 3.21Å; D283-S285 PolarHBondContact OD1-OG 2.85Å; D283-S285 PolarHBondContact OD2-OG 3.43Å; S285-R287 VanDerWaalsContact C-N 3.35Å
286K96.9Very high97Very high137 Ų13747.8 Ų47.860%0.59625%0.251SS*.G310 helixtrans-80.9-14178.5-65.2-178.5-175166.90113.7Q281 D283 P284Q281-K286 HydrophobicContact CB-CB 4.04Å; Q281-K286 HydrophobicContact CG-CB 4.06Å; D283-K286 HydrophobicContact CB-CD 4.01Å; D283-K286 HydrophobicContact CB-CG 4.13Å; D283-K286 PolarHBondContact O-N 2.83Å; D283-K286 VanDerWaalsContact OD2-CE 3.25Å; D283-K286 WeakPolarHBondContact OD2-CE 3.28Å; D283-K286 IonicContact OD2-NZ 3.54Å; P284-K286 PolarHBondContact O-N 3.5Å
287R97.6Very high97Very high3 Ų350 Ų501%0.01127%0.268CS..SBendtrans-74.1135.6177.3-59-178.9-160144.910.2109.4E204 K215 I218 C279 Q281 K282 P284 S285E204-R287 IonicContact OE1-CZ 3.5Å; E204-R287 IonicContact OE1-NH1 2.66Å; E204-R287 PolarHBondContact OE1-NH1 3.08Å; E204-R287 IonicContact OE1-NH2 3.97Å; E204-R287 PolarHBondContact OE1-NH2 2.99Å; E204-R287 IonicContact OE2-CZ 3.23Å; E204-R287 IonicContact OE2-NH1 3.7Å; E204-R287 PolarHBondContact OE2-NH1 3.47Å; E204-R287 IonicContact OE2-NH2 3.68Å; E204-R287 PolarHBondContact OE2-NH2 2.84Å; K215-R287 HydrophobicContact CD-CB 4.26Å; K215-R287 WeakPolarHBondContact CE-O 3.24Å; K215-R287 PolarHBondContact NZ-O 2.71Å; K215-R287 WeakPolarHBondContact O-CD 3.39Å; K215-R287 PolarHBondContact O-NH1 3.4Å; I218-R287 HydrophobicContact CB-CB 4.44Å; I218-R287 HydrophobicContact CG2-CB 4.04Å; C279-R287 VanDerWaalsContact O-CD 3.28Å; C279-R287 WeakPolarHBondContact O-CD 3.5Å; C279-R287 WeakPolarHBondContact O-CG 3.21Å; Q281-R287 HydrophobicContact CB-CG 3.93Å; Q281-R287 VanDerWaalsContact O-CZ 3.29Å; Q281-R287 PolarHBondContact O-NE 2.9Å; Q281-R287 PolarHBondContact O-NH2 3.02Å; K282-R287 PolarHBondContact O-NH2 2.95Å; P284-R287 WeakPolarHBondContact O-CB 3.31Å; P284-R287 PolarHBondContact O-N 3.27Å; S285-R287 VanDerWaalsContact C-N 3.35Å
288P98.2Very high97Very high19 Ų1947.6 Ų47.612%0.12325%0.247CC..PPolyproline II helixtrans-65.3158.5173.129.3-35.1000111I218 E278 E292 L293I218-P288 WeakPolarHBondContact CG1-O 3.31Å; E278-P288 HydrophobicContact CB-CG 4.26Å; E278-P288 WeakPolarHBondContact O-CD 3.06Å; P288-E292 HydrophobicContact CB-CB 3.98Å; P288-L293 HydrophobicContact CB-CD2 4.31Å; P288-L293 HydrophobicContact CB-CG 4Å; P288-L293 HydrophobicContact CG-CD1 4.02Å; P288-L293 HydrophobicContact CG-CD2 3.51Å; P288-L293 HydrophobicContact CG-CG 3.53Å
289T98.2Very high97Very high38 Ų3845.2 Ų45.223%0.23324%0.236CC..PPolyproline II helixtrans-74.8163166.760.80000111F214 S291 E292 L293F214-T289 HydrophobicContact CE2-CG2 4.18Å; T289-S291 PolarHBondContact O-N 3.42Å; T289-E292 WeakPolarHBondContact CB-OE2 3.33Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.3Å; T289-E292 PolarHBondContact N-OE2 3.11Å; T289-E292 PolarHBondContact O-N 2.92Å; T289-E292 VanDerWaalsContact O-N 3.13Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 VanDerWaalsContact OG1-CG 3.25Å; T289-E292 WeakPolarHBondContact OG1-CG 3.33Å; T289-E292 PolarHBondContact OG1-N 2.68Å; T289-E292 PolarHBondContact OG1-OE2 3.24Å; T289-L293 PolarHBondContact O-N 3.2Å
290A98.2Very high97Very high2 Ų254 Ų542%0.01727%0.274CS..Hα-helixtrans-56.8-40.2173.900000112.1L139 L142 E143 I218 E292 L293 L294L139-A290 HydrophobicContact CD2-CB 4.14Å; L142-A290 HydrophobicContact CB-CB 4.16Å; E143-A290 HydrophobicContact CB-CB 3.91Å; I218-A290 HydrophobicContact CD1-CB 4.38Å; A290-E292 VanDerWaalsContact C-N 3.33Å; A290-E292 PolarHBondContact O-N 3.45Å; A290-L293 PolarHBondContact O-N 3.21Å; A290-L294 WeakPolarHBondContact O-CG 3.46Å; A290-L294 PolarHBondContact O-N 3.32Å
291S98.1Very high97Very high46 Ų4657.8 Ų57.832%0.32229%0.291SS..Hα-helixtrans-62.8-34.5176.2-54.30000113.8E143 T289E143-S291 WeakPolarHBondContact OE1-CA 3.3Å; E143-S291 WeakPolarHBondContact OE1-CB 3.26Å; E143-S291 PolarHBondContact OE1-OG 2.85Å; T289-S291 PolarHBondContact O-N 3.42Å
292E98.3Very high97Very high106 Ų10655.6 Ų55.650%0.49528%0.284SS..Hα-helixtrans-74.9-42.6175-72.8164143.700111.1P288 T289 A290 L294 K295P288-E292 HydrophobicContact CB-CB 3.98Å; T289-E292 WeakPolarHBondContact CB-OE2 3.33Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.3Å; T289-E292 PolarHBondContact N-OE2 3.11Å; T289-E292 PolarHBondContact O-N 2.92Å; T289-E292 VanDerWaalsContact O-N 3.13Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 VanDerWaalsContact OG1-CG 3.25Å; T289-E292 WeakPolarHBondContact OG1-CG 3.33Å; T289-E292 PolarHBondContact OG1-N 2.68Å; T289-E292 PolarHBondContact OG1-OE2 3.24Å; A290-E292 VanDerWaalsContact C-N 3.33Å; A290-E292 PolarHBondContact O-N 3.45Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 2.81Å; E292-K295 WeakPolarHBondContact O-CB 3.47Å; E292-K295 PolarHBondContact O-N 2.91Å
293L98.4Very high97.2Very high1 Ų158.6 Ų58.61%0.00530%0.297CS..Hα-helixtrans-60.8-38.8175.8-77.9171.6000112.4L139 I218 F221 M275 P288 T289 A290 K295 H296 F299L139-L293 HydrophobicContact CD1-CB 3.69Å; L139-L293 HydrophobicContact CD2-CB 3.94Å; L139-L293 HydrophobicContact CD2-CD1 3.84Å; I218-L293 HydrophobicContact CD1-CD1 4.14Å; I218-L293 HydrophobicContact CG2-CD1 3.93Å; F221-L293 HydrophobicContact CD1-CD1 4.19Å; F221-L293 HydrophobicContact CE1-CD1 4.16Å; M275-L293 HydrophobicContact CG-CD2 4.06Å; P288-L293 HydrophobicContact CB-CD2 4.31Å; P288-L293 HydrophobicContact CB-CG 4Å; P288-L293 HydrophobicContact CG-CD1 4.02Å; P288-L293 HydrophobicContact CG-CD2 3.51Å; P288-L293 HydrophobicContact CG-CG 3.53Å; T289-L293 PolarHBondContact O-N 3.2Å; A290-L293 PolarHBondContact O-N 3.21Å; L293-K295 PolarHBondContact O-N 2.86Å; L293-H296 WeakPolarHBondContact O-CB 3.41Å; L293-H296 PolarHBondContact O-N 3.43Å; L293-F299 WeakPolarHBondContact O-CD2 3.17Å; L293-F299 WeakPolarHBondContact O-CE2 3.39Å
294L98.2Very high97.4Very high40 Ų4060 Ų6021%0.20930%0.304CS..THydrogen-bonded Turntrans-57.1-23175.8-78.6168.9000113.3K136 L139 K140 E143 A290 E292K136-L294 HydrophobicContact CG-CD2 4.01Å; L139-L294 HydrophobicContact CB-CD2 3.65Å; L139-L294 HydrophobicContact CB-CG 3.87Å; L139-L294 HydrophobicContact CD1-CD2 4.16Å; L139-L294 HydrophobicContact CD1-CG 4.26Å; K140-L294 HydrophobicContact CG-CD2 4.29Å; E143-L294 HydrophobicContact CB-CD1 4.5Å; A290-L294 WeakPolarHBondContact O-CG 3.46Å; A290-L294 PolarHBondContact O-N 3.32Å; E292-L294 VanDerWaalsContact C-N 3.32Å; E292-L294 PolarHBondContact O-N 2.81Å
295K98.1Very high97.4Very high171 Ų17163.5 Ų63.574%0.74332%0.317SS*.THydrogen-bonded Turntrans-91.4-7.4176.8-58.7169-171.3169.10113E292 L293E292-K295 WeakPolarHBondContact O-CB 3.47Å; E292-K295 PolarHBondContact O-N 2.91Å; L293-K295 PolarHBondContact O-N 2.86Å
296H98.4Very high97.4Very high20 Ų2068.7 Ų68.79%0.09332%0.323CS..SBendtrans-62.8142.4-177.6-171.3-86.4000111.4T271 E278 L293 F298 F299T271-H296 PolarHBondContact O-CE1 3.33Å; E278-H296 IonicContact OE2-CD2 2.73Å; E278-H296 PolarHBondContact OE2-CD2 3.07Å; E278-H296 VanDerWaalsContact OE2-CD2 3.23Å; E278-H296 IonicContact OE2-NE2 3.64Å; L293-H296 WeakPolarHBondContact O-CB 3.41Å; L293-H296 PolarHBondContact O-N 3.43Å; H296-F298 WeakPolarHBondContact ND1-CB 3.45Å; H296-F298 PolarHBondContact ND1-N 2.83Å; H296-F298 PolarHBondContact O-N 3.24Å; H296-F299 HydrophobicContact CB-CD2 4.07Å; H296-F299 HydrophobicContact CB-CE2 4.24Å; H296-F299 PolarHBondContact O-N 3.43Å
297S98Very high97.4Very high52 Ų5266.1 Ų66.136%0.36431%0.309SS..G310 helixtrans-61.5-23-171.664.40000114.3T271 F299 K300T271-S297 WeakPolarHBondContact CG2-OG 3.38Å; S297-F299 VanDerWaalsContact C-N 3.31Å; S297-F299 PolarHBondContact O-N 3.04Å; S297-K300 WeakPolarHBondContact O-CB 3.22Å; S297-K300 WeakPolarHBondContact O-CG 3.25Å; S297-K300 PolarHBondContact O-N 3.12Å
298F98.5Very high97.2Very high0 Ų066.1 Ų66.10%031%0.309CS..G310 helixtrans-58.1-40.8174.8177.8-112.6000112.3E128 I131 A132 F272 M275 H296 K300 K301E128-F298 HydrophobicContact CB-CE2 3.94Å; E128-F298 HydrophobicContact CB-CZ 4.44Å; E128-F298 HydrophobicContact CG-CE2 4.03Å; I131-F298 HydrophobicContact CB-CZ 4.31Å; I131-F298 HydrophobicContact CG2-CE1 4.19Å; I131-F298 HydrophobicContact CG2-CZ 3.96Å; A132-F298 HydrophobicContact CB-CD1 4.16Å; A132-F298 HydrophobicContact CB-CE1 3.66Å; A132-F298 HydrophobicContact CB-CE2 4.38Å; A132-F298 HydrophobicContact CB-CZ 3.77Å; F272-F298 HydrophobicContact CB-CD2 3.71Å; F272-F298 HydrophobicContact CB-CE2 3.56Å; F272-F298 HydrophobicContact CB-CZ 4.32Å; F272-F298 HydrophobicContact CD2-CD1 4.18Å; F272-F298 AromaticContact CD2-CD2 3.95Å; F272-F298 HydrophobicContact CD2-CD2 3.95Å; F272-F298 AromaticContact CD2-CE1 3.67Å; F272-F298 HydrophobicContact CD2-CE1 3.67Å; F272-F298 AromaticContact CD2-CE2 3.42Å; F272-F298 HydrophobicContact CD2-CE2 3.42Å; F272-F298 VanDerWaalsContact CD2-CE2 3.42Å; F272-F298 HydrophobicContact CD2-CG 4.31Å; F272-F298 AromaticContact CD2-CZ 3.26Å; F272-F298 HydrophobicContact CD2-CZ 3.26Å; F272-F298 HydrophobicContact CE2-CE1 4.01Å; F272-F298 HydrophobicContact CE2-CE2 4.32Å; F272-F298 AromaticContact CE2-CZ 3.73Å; F272-F298 HydrophobicContact CE2-CZ 3.73Å; F272-F298 HydrophobicContact CG-CD2 4.25Å; F272-F298 AromaticContact CG-CE2 3.73Å; F272-F298 HydrophobicContact CG-CE2 3.73Å; F272-F298 HydrophobicContact CG-CZ 4Å; M275-F298 HydrophobicContact CE-CD1 4.16Å; M275-F298 HydrophobicContact CE-CE1 4.24Å; H296-F298 WeakPolarHBondContact ND1-CB 3.45Å; H296-F298 PolarHBondContact ND1-N 2.83Å; H296-F298 PolarHBondContact O-N 3.24Å; F298-K300 PolarHBondContact O-N 3.4Å; F298-K300 VanDerWaalsContact O-N 3.12Å; F298-K301 HydrophobicContact CD2-CD 4.45Å; F298-K301 HydrophobicContact CE2-CD 4.48Å; F298-K301 WeakPolarHBondContact O-CB 3.44Å; F298-K301 WeakPolarHBondContact O-CG 3.43Å; F298-K301 PolarHBondContact O-N 3.29Å; F298-K301 VanDerWaalsContact O-N 3.09Å
299F98.4Very high96.9Very high10 Ų1066.5 Ų66.54%0.04431%0.312CS..G310 helixtrans-73.3-3.7-177.3-62.7-70.1000114.2A132 L135 K136 L139 F221 M275 L293 H296 S297 K301 A302A132-F299 WeakPolarHBondContact O-CD1 3.49Å; L135-F299 HydrophobicContact CB-CE1 3.8Å; L135-F299 HydrophobicContact CB-CZ 4.34Å; K136-F299 HydrophobicContact CB-CD1 3.85Å; K136-F299 HydrophobicContact CB-CE1 4.3Å; L139-F299 HydrophobicContact CD1-CD2 4.36Å; L139-F299 HydrophobicContact CD1-CE1 3.97Å; L139-F299 HydrophobicContact CD1-CE2 3.5Å; L139-F299 HydrophobicContact CD1-CZ 3.28Å; L139-F299 HydrophobicContact CG-CZ 4.47Å; F221-F299 HydrophobicContact CZ-CZ 4.03Å; M275-F299 HydrophobicContact CG-CE2 4.48Å; L293-F299 WeakPolarHBondContact O-CD2 3.17Å; L293-F299 WeakPolarHBondContact O-CE2 3.39Å; H296-F299 HydrophobicContact CB-CD2 4.07Å; H296-F299 HydrophobicContact CB-CE2 4.24Å; H296-F299 PolarHBondContact O-N 3.43Å; S297-F299 VanDerWaalsContact C-N 3.31Å; S297-F299 PolarHBondContact O-N 3.04Å; F299-K301 PolarHBondContact O-N 2.95Å; F299-A302 WeakPolarHBondContact O-CB 3.37Å; F299-A302 PolarHBondContact O-N 2.94Å
300K97.8Very high96.6Very high185 Ų18569.4 Ų69.480%0.80432%0.322SS*.G310 helixtrans-64.9-18166.6-64.3-177.1177.7-177.90112.5S297 F298S297-K300 WeakPolarHBondContact O-CB 3.22Å; S297-K300 WeakPolarHBondContact O-CG 3.25Å; S297-K300 PolarHBondContact O-N 3.12Å; F298-K300 PolarHBondContact O-N 3.4Å; F298-K300 VanDerWaalsContact O-N 3.12Å
301K97.9Very high96.2Very high80 Ų8069.7 Ų69.735%0.34833%0.325SS..G310 helixtrans-79.2-19.5175.9-60.4-173.5177.8-1530113.1E128 V129 A132 F298 F299E128-K301 HydrophobicContact CB-CD 4.15Å; E128-K301 WeakPolarHBondContact OE2-CE 3.48Å; E128-K301 IonicContact OE2-NZ 3.55Å; E128-K301 PolarHBondContact OE2-NZ 3.42Å; V129-K301 WeakPolarHBondContact CG1-O 3.39Å; A132-K301 HydrophobicContact CB-CB 4Å; F298-K301 HydrophobicContact CD2-CD 4.45Å; F298-K301 HydrophobicContact CE2-CD 4.48Å; F298-K301 WeakPolarHBondContact O-CB 3.44Å; F298-K301 WeakPolarHBondContact O-CG 3.43Å; F298-K301 PolarHBondContact O-N 3.29Å; F298-K301 VanDerWaalsContact O-N 3.09Å; F299-K301 PolarHBondContact O-N 2.95Å
302A97.8Very high95.8Very high20 Ų2067.6 Ų67.617%0.16531%0.31CS..  trans-60.3141.1-174.900000112.3A132 T133 K136 F299A132-A302 HydrophobicContact CB-CB 4.27Å; T133-A302 WeakPolarHBondContact OG1-CA 3.49Å; K136-A302 HydrophobicContact CB-CB 4.49Å; K136-A302 HydrophobicContact CD-CB 3.79Å; F299-A302 WeakPolarHBondContact O-CB 3.37Å; F299-A302 PolarHBondContact O-N 2.94Å
303K97.3Very high95.1Very high123 Ų12364.9 Ų64.954%0.53530%0.298SS..  trans-105.6-165.6175.1-62.1-64.1-176177.40110.1V129 T133 W307V129-K303 HydrophobicContact CG1-CD 4.45Å; V129-K303 HydrophobicContact CG1-CG 3.5Å; V129-K303 VanDerWaalsContact CG1-CG 3.5Å; T133-K303 WeakPolarHBondContact CG2-O 3.46Å; T133-K303 PolarHBondContact OG1-N 3.13Å; K303-W307 HydrophobicContact CB-CB 3.47Å; K303-W307 VanDerWaalsContact CB-CB 3.47Å; K303-W307 HydrophobicContact CB-CD2 4.22Å; K303-W307 HydrophobicContact CB-CG 3.66Å; K303-W307 HydrophobicContact CG-CB 4.21Å; K303-W307 HydrophobicContact CG-CD2 3.98Å; K303-W307 HydrophobicContact CG-CE3 4.24Å; K303-W307 HydrophobicContact CG-CG 3.95Å
304D95.3Very high94.3Very high90 Ų9070.8 Ų70.848%0.48133%0.326SS..  trans-91.3178.217565.220.9000111.6R306 W307D304-R306 PolarHBondContact O-N 3.32Å; D304-R306 WeakPolarHBondContact OD1-CA 3.19Å; D304-R306 VanDerWaalsContact OD1-CB 3.32Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.4Å; D304-W307 VanDerWaalsContact O-CB 3.32Å; D304-W307 WeakPolarHBondContact O-CB 3.41Å; D304-W307 PolarHBondContact O-N 3.21Å; D304-W307 PolarHBondContact OD1-N 3.3Å; D304-W307 VanDerWaalsContact OD1-N 3.1Å
305K93Very high92.9Very high104 Ų10472.8 Ų72.845%0.45234%0.34SS..Hα-helixtrans-64.1-23.6178.465.4180-171.9169.50114.1D165 W307 L308 V309D165-K305 WeakPolarHBondContact O-CD 3.02Å; D165-K305 IonicContact OD2-NZ 3.98Å; D165-K305 PolarHBondContact OD2-NZ 2.88Å; K305-W307 VanDerWaalsContact C-N 3.29Å; K305-W307 PolarHBondContact O-N 3.47Å; K305-L308 WeakPolarHBondContact O-CB 3.2Å; K305-L308 PolarHBondContact O-N 2.69Å; K305-L308 VanDerWaalsContact O-N 3.1Å; K305-V309 PolarHBondContact O-N 3.15Å; K305-V309 VanDerWaalsContact O-N 3.13Å
306R93.8Very high91Very high195 Ų19565.1 Ų65.174%0.73631%0.308SS*.Hα-helixtrans-67.5-34.6177-61.6176.6176.3169.5-1.2110.8D304 L308 V309 H310D304-R306 PolarHBondContact O-N 3.32Å; D304-R306 WeakPolarHBondContact OD1-CA 3.19Å; D304-R306 VanDerWaalsContact OD1-CB 3.32Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.4Å; R306-L308 VanDerWaalsContact C-N 3.29Å; R306-L308 PolarHBondContact O-N 2.89Å; R306-V309 PolarHBondContact O-N 2.74Å; R306-H310 PolarHBondContact O-N 3.31Å
307W95.4Very high88.4Confident84 Ų8468.2 Ų68.232%0.31834%0.337SS..Hα-helixtrans-57.3-43.1169.9178-91.3000111.9V129 T130 K303 D304 K305 H310 A311V129-W307 HydrophobicContact CB-CZ2 4.14Å; V129-W307 HydrophobicContact CG1-CD2 4.29Å; V129-W307 HydrophobicContact CG1-CH2 4.45Å; V129-W307 HydrophobicContact CG1-CZ2 3.76Å; T130-W307 PolarHBondContact OG1-NE1 3.17Å; T130-W307 VanDerWaalsContact OG1-NE1 3.1Å; K303-W307 HydrophobicContact CB-CB 3.47Å; K303-W307 VanDerWaalsContact CB-CB 3.47Å; K303-W307 HydrophobicContact CB-CD2 4.22Å; K303-W307 HydrophobicContact CB-CG 3.66Å; K303-W307 HydrophobicContact CG-CB 4.21Å; K303-W307 HydrophobicContact CG-CD2 3.98Å; K303-W307 HydrophobicContact CG-CE3 4.24Å; K303-W307 HydrophobicContact CG-CG 3.95Å; D304-W307 VanDerWaalsContact O-CB 3.32Å; D304-W307 WeakPolarHBondContact O-CB 3.41Å; D304-W307 PolarHBondContact O-N 3.21Å; D304-W307 PolarHBondContact OD1-N 3.3Å; D304-W307 VanDerWaalsContact OD1-N 3.1Å; K305-W307 VanDerWaalsContact C-N 3.29Å; K305-W307 PolarHBondContact O-N 3.47Å; W307-H310 PolarHBondContact O-N 3.05Å; W307-A311 WeakPolarHBondContact O-CB 3.2Å; W307-A311 PolarHBondContact O-N 3.24Å
308L93.8Very high85.7Confident2 Ų267.7 Ų67.71%0.0134%0.339CS..Hα-helixtrans-65.7-40.1179.6-64.1179000112.1T130 T133 L134 G166 I168 K305 R306 L312T130-L308 HydrophobicContact CG2-CD2 4.46Å; T133-L308 HydrophobicContact CG2-CD1 3.95Å; T133-L308 HydrophobicContact CG2-CD2 3.74Å; T133-L308 HydrophobicContact CG2-CG 3.68Å; L134-L308 HydrophobicContact CD2-CD1 4.1Å; L134-L308 HydrophobicContact CD2-CD2 3.8Å; L134-L308 HydrophobicContact CG-CD2 3.86Å; G166-L308 WeakPolarHBondContact O-CD1 3.38Å; I168-L308 HydrophobicContact CD1-CD1 4.11Å; I168-L308 HydrophobicContact CG1-CD1 3.69Å; K305-L308 WeakPolarHBondContact O-CB 3.2Å; K305-L308 PolarHBondContact O-N 2.69Å; K305-L308 VanDerWaalsContact O-N 3.1Å; R306-L308 VanDerWaalsContact C-N 3.29Å; R306-L308 PolarHBondContact O-N 2.89Å; L308-L312 HydrophobicContact CD2-CD1 4.12Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 PolarHBondContact O-N 3.48Å
309V92Very high83.3Confident28 Ų2869.5 Ų69.517%0.1735%0.351CS..Iπ-helixtrans-57.8-53.7173.5177.20000110.1D165 K305 R306 A311 I313 E314D165-V309 VanDerWaalsContact C-CG2 3.48Å; K305-V309 PolarHBondContact O-N 3.15Å; K305-V309 VanDerWaalsContact O-N 3.13Å; R306-V309 PolarHBondContact O-N 2.74Å; V309-A311 PolarHBondContact O-N 3.08Å; V309-I313 HydrophobicContact CG1-CD1 4.48Å; V309-I313 HydrophobicContact CG2-CD1 4.37Å; V309-I313 WeakPolarHBondContact O-CA 3.38Å; V309-I313 VanDerWaalsContact O-CB 3.29Å; V309-I313 WeakPolarHBondContact O-CB 3.49Å; V309-I313 PolarHBondContact O-N 3.38Å; V309-E314 HydrophobicContact CG1-CG 4.16Å; V309-E314 PolarHBondContact O-N 3.49Å
310H91.1Very high80.8Confident98 Ų9873.3 Ų73.345%0.45437%0.371SS..Iπ-helixtrans-60.8-49.9179.8177.8-89.3000112.3R306 W307 E314 T315R306-H310 PolarHBondContact O-N 3.31Å; W307-H310 PolarHBondContact O-N 3.05Å; H310-E314 WeakPolarHBondContact CA-OE2 3.48Å; H310-E314 IonicContact CD2-OE2 3.57Å; H310-E314 IonicContact CG-OE2 2.93Å; H310-T315 VanDerWaalsContact O-CB 3.3Å; H310-T315 WeakPolarHBondContact O-CB 3.07Å; H310-T315 PolarHBondContact O-N 3.13Å; H310-T315 PolarHBondContact O-OG1 3.14Å
311A91.1Very high78.5Confident9 Ų966.1 Ų66.17%0.07434%0.341CS..Iπ-helixtrans-71.4-38.5-173.800000112.8R115 T130 W307 V309R115-A311 PolarHBondContact NH2-O 3.27Å; T130-A311 HydrophobicContact CG2-CB 4.42Å; W307-A311 WeakPolarHBondContact O-CB 3.2Å; W307-A311 PolarHBondContact O-N 3.24Å; V309-A311 PolarHBondContact O-N 3.08Å
312L89Confident75.8Confident1 Ų168.3 Ų68.31%0.00535%0.353CS..Iπ-helixtrans-104.8-36-171.2-57.3-178.7000113.4L108 V111 L126 T130 L134 L162 L308 S316L108-L312 HydrophobicContact CD2-CD1 4.48Å; V111-L312 HydrophobicContact CG1-CD2 4.02Å; L126-L312 HydrophobicContact CD2-CD2 3.95Å; T130-L312 HydrophobicContact CG2-CD1 4.45Å; T130-L312 HydrophobicContact CG2-CD2 3.67Å; T130-L312 HydrophobicContact CG2-CG 4.18Å; L134-L312 HydrophobicContact CD1-CD1 4.15Å; L134-L312 HydrophobicContact CD2-CD1 3.87Å; L134-L312 HydrophobicContact CG-CD1 4.36Å; L162-L312 HydrophobicContact CD2-CB 4.24Å; L162-L312 HydrophobicContact CD2-CD1 4.41Å; L308-L312 HydrophobicContact CD2-CD1 4.12Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 PolarHBondContact O-N 3.48Å; L312-S316 VanDerWaalsContact O-CB 3.26Å; L312-S316 WeakPolarHBondContact O-CB 3.39Å; L312-S316 PolarHBondContact O-OG 3.01Å
313I84Confident73.2Confident49 Ų4969.3 Ų69.325%0.25136%0.361SS..Iπ-helixtrans-97.6-47.4-172.2-53.1179.2000111.3L162 V309L162-I313 HydrophobicContact CD2-CD1 4.01Å; L162-I313 HydrophobicContact CD2-CG1 3.81Å; L162-I313 HydrophobicContact CG-CD1 4.33Å; V309-I313 HydrophobicContact CG1-CD1 4.48Å; V309-I313 HydrophobicContact CG2-CD1 4.37Å; V309-I313 WeakPolarHBondContact O-CA 3.38Å; V309-I313 VanDerWaalsContact O-CB 3.29Å; V309-I313 WeakPolarHBondContact O-CB 3.49Å; V309-I313 PolarHBondContact O-N 3.38Å
314E81.6Confident70.8Confident126 Ų12669.3 Ų69.359%0.58936%0.363SS*.Iπ-helixtrans-83.2-43.2-175.1-62.2175.3168.500112.7V309 H310V309-E314 HydrophobicContact CG1-CG 4.16Å; V309-E314 PolarHBondContact O-N 3.49Å; H310-E314 WeakPolarHBondContact CA-OE2 3.48Å; H310-E314 IonicContact CD2-OE2 3.57Å; H310-E314 IonicContact CG-OE2 2.93Å
315T69Low68.3Low82 Ų8266.4 Ų66.450%0.50335%0.352SS..SBendtrans-79.3-35.4-175.3-56.40000112.8H310 A317H310-T315 VanDerWaalsContact O-CB 3.3Å; H310-T315 WeakPolarHBondContact O-CB 3.07Å; H310-T315 PolarHBondContact O-N 3.13Å; H310-T315 PolarHBondContact O-OG1 3.14Å; T315-A317 PolarHBondContact O-N 2.79Å; T315-A317 VanDerWaalsContact O-N 3.14Å
316S57.5Low65.8Low10 Ų1067.5 Ų67.57%0.0736%0.358CS..SBendtrans-73.4106.8169.2-37.20000105R115 L312 G318R115-S316 PolarHBondContact NE-OG 3.06Å; R115-S316 PolarHBondContact NH2-OG 3.35Å; L312-S316 VanDerWaalsContact O-CB 3.26Å; L312-S316 WeakPolarHBondContact O-CB 3.39Å; L312-S316 PolarHBondContact O-OG 3.01Å; S316-G318 WeakPolarHBondContact O-CA 3.44Å; S316-G318 PolarHBondContact O-N 2.65Å
317A45.3Very low63.5Low84 Ų8464.8 Ų64.869%0.69435%0.354SS*.SBendtrans-34.7106.9175.800000108.5T315T315-A317 PolarHBondContact O-N 2.79Å; T315-A317 VanDerWaalsContact O-N 3.14Å
318G40.6Very low61Low41 Ų4162.3 Ų62.342%0.42335%0.352SS..  trans-34.7136-142.600000113.2S316 N320S316-G318 WeakPolarHBondContact O-CA 3.44Å; S316-G318 PolarHBondContact O-N 2.65Å; G318-N320 WeakPolarHBondContact O-CB 3.48Å; G318-N320 PolarHBondContact O-N 3.14Å
319V47.8Very low58.6Low39 Ų3969.4 Ų69.424%0.23638%0.378CS..  trans-59.479.8157-171.40000105.5L321V319-L321 HydrophobicContact CG1-CD1 3.81Å; V319-L321 HydrophobicContact CG1-CG 3.9Å; V319-L321 PolarHBondContact O-N 2.93Å
320N46.6Very low56.4Low90 Ų9078 Ų7848%0.48141%0.408SS..  trans-86.563.3-169.2-141.2-6.6000104.8G318 Q322 A323 Q324G318-N320 WeakPolarHBondContact O-CB 3.48Å; G318-N320 PolarHBondContact O-N 3.14Å; N320-Q322 PolarHBondContact O-N 3.33Å; N320-A323 HydrophobicContact CB-CB 3.96Å; N320-A323 WeakPolarHBondContact O-CB 3.41Å; N320-A323 PolarHBondContact O-N 2.89Å; N320-Q324 PolarHBondContact O-N 3.01Å
321L49.4Very low54.1Low33 Ų3379.1 Ų79.117%0.17342%0.417CS..Hα-helixtrans-54.7-27.3168.5-82.2157.3000109.2S104 V319 Q324 A325S104-L321 VanDerWaalsContact O-CD1 3.23Å; S104-L321 WeakPolarHBondContact O-CD1 3.42Å; V319-L321 HydrophobicContact CG1-CD1 3.81Å; V319-L321 HydrophobicContact CG1-CG 3.9Å; V319-L321 PolarHBondContact O-N 2.93Å; L321-Q324 CarbonylContact O-C 3.55Å; L321-Q324 PolarHBondContact O-N 3.05Å; L321-A325 WeakPolarHBondContact O-CA 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.38Å; L321-A325 PolarHBondContact O-N 2.92Å
322Q41Very low51.7Low126 Ų12682.2 Ų82.259%0.58944%0.442SS*.Hα-helixtrans-62.5-48.2168.9-71.9-177.4-4.400112.5N320 Q324 A325 E326N320-Q322 PolarHBondContact O-N 3.33Å; Q322-Q324 VanDerWaalsContact C-N 3.35Å; Q322-Q324 PolarHBondContact O-N 2.84Å; Q322-A325 CarbonylContact O-C 3.55Å; Q322-A325 PolarHBondContact O-N 2.9Å; Q322-A325 VanDerWaalsContact O-N 3.08Å; Q322-E326 WeakPolarHBondContact O-CB 3.47Å; Q322-E326 WeakPolarHBondContact O-CG 3.22Å; Q322-E326 PolarHBondContact O-N 3.15Å
323A42.5Very low49.3Very low41 Ų4192.5 Ų92.534%0.33948%0.481SS..Hα-helixtrans-63.2-39.8174.800000112.1N320 A325 E326 Q327N320-A323 HydrophobicContact CB-CB 3.96Å; N320-A323 WeakPolarHBondContact O-CB 3.41Å; N320-A323 PolarHBondContact O-N 2.89Å; A323-A325 VanDerWaalsContact C-N 3.3Å; A323-A325 PolarHBondContact O-N 3.36Å; A323-E326 PolarHBondContact O-N 2.85Å; A323-Q327 WeakPolarHBondContact O-CB 3.42Å; A323-Q327 PolarHBondContact O-N 3.23Å
324Q47.4Very low47Very low123 Ų12394.9 Ų94.958%0.57549%0.494SS*.Hα-helixtrans-69.7-25.6173.3-65.9-176.311.300112.9K29 N320 L321 Q322 A328K29-Q324 PolarHBondContact NZ-O 2.97Å; N320-Q324 PolarHBondContact O-N 3.01Å; L321-Q324 CarbonylContact O-C 3.55Å; L321-Q324 PolarHBondContact O-N 3.05Å; Q322-Q324 VanDerWaalsContact C-N 3.35Å; Q322-Q324 PolarHBondContact O-N 2.84Å; Q324-A328 WeakPolarHBondContact O-CB 3.23Å; Q324-A328 PolarHBondContact O-N 3.32Å
325A42.4Very low44.8Very low29 Ų2995.1 Ų95.124%0.2451%0.506CS..Hα-helixtrans-82.3-33.1174.900000111.7K29 L321 Q322 A323 R329K29-A325 HydrophobicContact CD-CB 4.15Å; L321-A325 WeakPolarHBondContact O-CA 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.38Å; L321-A325 PolarHBondContact O-N 2.92Å; Q322-A325 CarbonylContact O-C 3.55Å; Q322-A325 PolarHBondContact O-N 2.9Å; Q322-A325 VanDerWaalsContact O-N 3.08Å; A323-A325 VanDerWaalsContact C-N 3.3Å; A323-A325 PolarHBondContact O-N 3.36Å; A325-R329 VanDerWaalsContact O-CB 3.26Å; A325-R329 WeakPolarHBondContact O-CB 3.45Å; A325-R329 VanDerWaalsContact O-CG 3.3Å; A325-R329 WeakPolarHBondContact O-CG 3.27Å; A325-R329 PolarHBondContact O-N 3.22Å
326E40.6Very low43.2Very low128 Ų12895.3 Ų95.360%0.59852%0.516SS*.Hα-helixtrans-69-40.7171.7-77.7-176.7163.300111.3Q322 A323 R329 R330Q322-E326 WeakPolarHBondContact O-CB 3.47Å; Q322-E326 WeakPolarHBondContact O-CG 3.22Å; Q322-E326 PolarHBondContact O-N 3.15Å; A323-E326 PolarHBondContact O-N 2.85Å; E326-R329 PolarHBondContact O-N 3.07Å; E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 3.11Å
327Q44.9Very low42.1Very low137 Ų13797.8 Ų97.864%0.6453%0.531SS*.Hα-helixtrans-64.7-43173.6-165.6130.2-3.600111.3A323 R330 L331A323-Q327 WeakPolarHBondContact O-CB 3.42Å; A323-Q327 PolarHBondContact O-N 3.23Å; Q327-R330 PolarHBondContact O-N 2.9Å; Q327-L331 HydrophobicContact CG-CD1 4.48Å; Q327-L331 WeakPolarHBondContact O-CD1 3.49Å; Q327-L331 WeakPolarHBondContact O-CG 3.46Å; Q327-L331 PolarHBondContact O-N 3.38Å; Q327-L331 VanDerWaalsContact O-N 3.07Å
328A42.9Very low41.4Very low33 Ų33101.5 Ų101.527%0.27353%0.531SS..Hα-helixtrans-64.4-38.8172.600000112.7K29 Q324 L331 A332K29-A328 HydrophobicContact CD-CB 4.13Å; Q324-A328 WeakPolarHBondContact O-CB 3.23Å; Q324-A328 PolarHBondContact O-N 3.32Å; A328-L331 PolarHBondContact O-N 3.28Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 2.51Å
329R43.4Very low41.1Very low151 Ų151107.3 Ų107.357%0.5755%0.552SS**Hα-helixtrans-66.4-33.3174.3-85.5178.5166.6-173.4-3.7113A325 E326 R333A325-R329 VanDerWaalsContact O-CB 3.26Å; A325-R329 WeakPolarHBondContact O-CB 3.45Å; A325-R329 VanDerWaalsContact O-CG 3.3Å; A325-R329 WeakPolarHBondContact O-CG 3.27Å; A325-R329 PolarHBondContact O-N 3.22Å; E326-R329 PolarHBondContact O-N 3.07Å; R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.28Å
330R45.6Very low40.3Very low207 Ų207112.8 Ų112.878%0.78158%0.575SS**Hα-helixtrans-67.6-43.4173-80.4-177.1174.4-178-0.2111.1E326 Q327 R333E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 3.11Å; Q327-R330 PolarHBondContact O-N 2.9Å; R330-R333 PolarHBondContact O-N 3.35Å
331L43.9Very low39.5Very low123 Ų123116.6 Ų116.664%0.64460%0.595SS**Hα-helixtrans-66.1-36.2176.4-71.7159.1000112.5Q327 A328Q327-L331 HydrophobicContact CG-CD1 4.48Å; Q327-L331 WeakPolarHBondContact O-CD1 3.49Å; Q327-L331 WeakPolarHBondContact O-CG 3.46Å; Q327-L331 PolarHBondContact O-N 3.38Å; Q327-L331 VanDerWaalsContact O-N 3.07Å; A328-L331 PolarHBondContact O-N 3.28Å
332A40.4Very low38.5Very low73 Ų73121.6 Ų121.660%0.60362%0.618SS**Hα-helixtrans-78.1-14.417800000114.7A328A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 2.51Å
333R38.2Very low37.7Very low217 Ų217123.6 Ų123.682%0.81963%0.627SS**THydrogen-bonded Turntrans-88.7-2.9177.4-90.7-177.5175.4174.9-1113.7R329 R330 P335R329-R333 WeakPolarHBondContact O-CB 3.44Å; R329-R333 WeakPolarHBondContact O-CG 3.26Å; R329-R333 PolarHBondContact O-N 3.28Å; R330-R333 PolarHBondContact O-N 3.35Å; R333-P335 WeakPolarHBondContact O-CD 3.38Å
334D36.3Very low37Very low100 Ų100126.1 Ų126.154%0.53564%0.64SS.*  trans-80.7112.7179.4-148.3-24.1000110.1A336 V337D334-A336 PolarHBondContact O-N 2.9Å; D334-V337 PolarHBondContact O-N 2.89Å
335P35.7Very low36Very low130 Ų130129.7 Ų129.784%0.84466%0.657SS**THydrogen-bonded Turntrans-65.9-3.4-172-1730.3000114.7R333R333-P335 WeakPolarHBondContact O-CD 3.38Å
336A36Very low35.3Very low87 Ų87132.9 Ų132.972%0.71967%0.669SS**THydrogen-bonded Turntrans-89.1-6.4178.800000114.1D334 K338D334-A336 PolarHBondContact O-N 2.9Å; A336-K338 PolarHBondContact O-N 3.28Å
337V34Very low34.6Very low61 Ų61131.9 Ų131.937%0.3768%0.683SS.*  trans-92.291.5176.5-173.50000109.4D334 L339D334-V337 PolarHBondContact O-N 2.89Å; V337-L339 PolarHBondContact O-N 3.47Å
338K29Very low33.7Very low163 Ų163129 Ų12971%0.70967%0.669SS**  trans-64.2113.4162.4-75.8-173.8175.4-1740107.9A336 E340A336-K338 PolarHBondContact O-N 3.28Å; K338-E340 PolarHBondContact O-N 3.19Å
339L35.7Very low33Very low162 Ų162135.6 Ų135.685%0.84869%0.687SS**SBendtrans-74.158.7170.6-90.7138.7000110.2V337V337-L339 PolarHBondContact O-N 3.47Å
340E29.7Very low32.2Very low154 Ų154134.4 Ų134.472%0.7270%0.697SS**SBendtrans-135.2119.8166.2-89.2163.4150.700104.9K338K338-E340 PolarHBondContact O-N 3.19Å
341D31.3Very low31.5Very low170 Ų170131.5 Ų131.591%0.90969%0.69SS**SBendtrans63.735.8175.2-63.3-22.5000119.6
342Q26.8Very low30.7Very low139 Ų139130.8 Ų130.865%0.6570%0.695SS**  trans-105.489.3164.9-67.3-167.7-4.700111.3P344Q342-P344 VanDerWaalsContact O-CD 3.22Å; Q342-P344 WeakPolarHBondContact O-CD 3.39Å; Q342-P344 VanDerWaalsContact O-N 3.16Å
343Q25.3Very low30.2Very low167 Ų167131.6 Ų131.678%0.7870%0.696SS**  trans-55107.7161.3-160.6170.910.400107.3E345Q343-E345 PolarHBondContact O-N 3.48Å
344P28.4Very low30Very low95 Ų95126.7 Ų126.762%0.61770%0.696SS**  trans-69.2123174.720.7-14000106.4Q342 L346Q342-P344 VanDerWaalsContact O-CD 3.22Å; Q342-P344 WeakPolarHBondContact O-CD 3.39Å; Q342-P344 VanDerWaalsContact O-N 3.16Å; P344-L346 PolarHBondContact O-N 2.72Å; P344-L346 VanDerWaalsContact O-N 3.15Å
345E26.6Very low29.8Very low197 Ų197129.1 Ų129.192%0.92170%0.703SS**  trans-39.6123.8173.7-88.9-173.3148.200109.6Q343 A347Q343-E345 PolarHBondContact O-N 3.48Å; E345-A347 PolarHBondContact O-N 2.8Å
346L27.6Very low29.7Very low97 Ų97128.5 Ų128.551%0.50870%0.703SS.*  trans-59.7125.7-164.9-69.3119.3000109.7P344 Q348P344-L346 PolarHBondContact O-N 2.72Å; P344-L346 VanDerWaalsContact O-N 3.15Å; L346-Q348 HydrophobicContact CB-CB 3.61Å; L346-Q348 HydrophobicContact CB-CG 4.02Å; L346-Q348 HydrophobicContact CD2-CB 4.45Å; L346-Q348 HydrophobicContact CD2-CG 3.95Å; L346-Q348 HydrophobicContact CG-CG 4.47Å; L346-Q348 PolarHBondContact O-N 3.03Å
347A25.3Very low29.4Very low106 Ų106132.4 Ų132.488%0.87671%0.706SS**  trans-68.862143.100000107.7E345E345-A347 PolarHBondContact O-N 2.8Å
348Q25.3Very low29.3Very low76 Ų76137.5 Ų137.536%0.35573%0.731SS.*  trans-71.7141.1172-132.1166-14.100106.5L346 V350L346-Q348 HydrophobicContact CB-CB 3.61Å; L346-Q348 HydrophobicContact CB-CG 4.02Å; L346-Q348 HydrophobicContact CD2-CB 4.45Å; L346-Q348 HydrophobicContact CD2-CG 3.95Å; L346-Q348 HydrophobicContact CG-CG 4.47Å; L346-Q348 PolarHBondContact O-N 3.03Å; Q348-V350 VanDerWaalsContact C-N 3.29Å; Q348-V350 PolarHBondContact O-N 2.95Å
349W28.4Very low29.6Very low172 Ų172139.1 Ų139.165%0.65274%0.741SS**  trans-64.791.5174.3-71.679000109.2L109 F351L109-W349 HydrophobicContact CD2-CH2 4.5Å; W349-F351 HydrophobicContact CB-CD2 4.38Å; W349-F351 HydrophobicContact CB-CE2 4.01Å; W349-F351 PolarHBondContact O-N 2.72Å
350V26.6Very low29.3Very low127 Ų127135 Ų13577%0.7774%0.737SS**  trans-80.8100.1170.5-172.40000107.3Q348 S352Q348-V350 VanDerWaalsContact C-N 3.29Å; Q348-V350 PolarHBondContact O-N 2.95Å; V350-S352 PolarHBondContact O-N 3.44Å
351F31.2Very low29.4Very low145 Ų145134.9 Ų134.964%0.63674%0.742SS**  trans-73.999.3166.7-72.9-90.3000107.9W349 S353W349-F351 HydrophobicContact CB-CD2 4.38Å; W349-F351 HydrophobicContact CB-CE2 4.01Å; W349-F351 PolarHBondContact O-N 2.72Å; F351-S353 PolarHBondContact O-N 2.96Å
352S27.3Very low29.3Very low108 Ų108132 Ų13276%0.75573%0.731SS**  trans-82.6107.5169.9610000109.8V350 S354V350-S352 PolarHBondContact O-N 3.44Å; S352-S354 PolarHBondContact O-N 3.08Å
353S29.9Very low29.6Very low90 Ų90132 Ų13263%0.62974%0.74SS**  trans-8499.6160.353.90000107.9F351 E355F351-S353 PolarHBondContact O-N 2.96Å; S353-E355 PolarHBondContact O-N 3.04Å
354S34.4Very low30.1Very low115 Ų115128.3 Ų128.380%0.80474%0.739SS**  trans-76.5110.4163.957.50000108.4S352S352-S354 PolarHBondContact O-N 3.08Å
355E31.5Very low30.4Very low150 Ų150129.7 Ų129.770%0.70175%0.75SS**  trans-66.5133.2168.7-68.7167.2153.400109.7S353S353-E355 PolarHBondContact O-N 3.04Å
356S33.5Very low30.7Very low118 Ų118125.5 Ų125.583%0.82574%0.74SS**  trans-132.397.3152.460.30000106
357E29.8Very low30.9Very low169 Ų169129.8 Ų129.879%0.7976%0.755SS**  trans-61.2133.8166.2-61.1177.4156.500108.9
358D32.9Very low31.3Very low168 Ų168131.6 Ų131.690%0.89875%0.75SS**  trans-153.7102147.8-106.7-25.1000108G360D358-G360 PolarHBondContact O-N 3.09Å
359E33.5Very low31.7Very low196 Ų196133 Ų13392%0.91677%0.774SS**  trans-69.3119.6167.6-74.2-153.4149.600110
360G29.9Very low31.8Very low75 Ų75128.1 Ų128.177%0.77378%0.777SS**  trans-11292.4165.300000110.5D358D358-G360 PolarHBondContact O-N 3.09Å
361N33.1Very low32Very low153 Ų153128.8 Ų128.882%0.81878%0.781SS**  trans-84.5125.9162.8-167.616.7000110
362T29Very low32.1Very low109 Ų109127.5 Ų127.567%0.66979%0.79SS**  trans-67.3138.5177.945.20000112.9
363T33.1Very low32.2Very low139 Ų139128.1 Ų128.185%0.85379%0.789SS**  -179.4123.5123.227.40000113.7
364A35.3Very low32.5Very low90 Ų90131.7 Ų131.774%0.74480%0.801SS**  trans56.5102.5143.300000122.8
365S34.7Very low32.3Very low123 Ų123131.4 Ų131.486%0.8680%0.795SS**  77148.6125.9-610000122
366P32.4Very low32.5Very low109 Ų109131.4 Ų131.471%0.70880%0.804SS**  trans-113.7160.2-144.439.1-27.5000114.6
367K32.7Very low32.4Very low187 Ų187134.8 Ų134.881%0.81381%0.805SS**  trans169.3142133.1-92.1162.5-173.4-172.60114.1
368D34Very low32.5Very low145 Ų145131.4 Ų131.478%0.77581%0.805SS**  trans77.7101.4149.6-63.9-28.3000122.7
369A31.7Very low32.7Very low105 Ų105128.5 Ų128.587%0.86880%0.804SS**  56.1131.4112.600000122.8
370G32.2Very low32.6Very low69 Ų69126.7 Ų126.771%0.71180%0.801SS**  trans124.587.1154.100000113.9
371V30.6Very low33Very low142 Ų142129.9 Ų129.986%0.86181%0.806SS**  52.510993.8-173.50000114.3
372S32.4Very low33.1Very low117 Ų117128.3 Ų128.382%0.81880%0.804SS**  164135.3111.652.40000112.5
373V29.9Very low33.2Very low122 Ų122127.8 Ų127.874%0.73981%0.811SS**  trans-81143.6174.2175.60000109.4
374D35.3Very low33.1Very low164 Ų164128.2 Ų128.288%0.87781%0.808SS**  trans-163.4149.8139.3-101.2-31.6000115.5
375T30.2Very low32.9Very low110 Ų110131.2 Ų131.268%0.67581%0.811SS**  trans-92.5142.9-163.5-47.20000111.9
376V35.6Very low32.8Very low149 Ų149129.9 Ų129.990%0.90381%0.808SS**  trans-149.4136.7144.2-171.10000112.4
377K31.8Very low32.7Very low190 Ų190134.2 Ų134.283%0.82682%0.819SS**  trans-78.9165.5-178.6-79.9173.2161.8176.10115.7
378A33Very low32.8Very low98 Ų98134.4 Ų134.481%0.8182%0.82SS**  trans106117131.700000118.1
379A35.8Very low32.8Very low106 Ų106133.1 Ų133.188%0.87682%0.819SS**  177.9134.898.200000112.1
380D32Very low33Very low159 Ų159133.7 Ų133.785%0.8582%0.816SS**  trans-74.6149.1176.9-68.4-55.2000113.9
381T38.8Very low33.7Very low141 Ų141139.3 Ų139.387%0.86582%0.824SS**  -173.6160.3129.78.20000111.5
382P33.8Very low34.9Very low120 Ų120141 Ų14178%0.77982%0.823SS**  -117.4174.2-124.722.42.4000115.4
383A31.1Very low36.6Very low99 Ų99138.8 Ų138.882%0.81881%0.806SS**  trans-50.4138.9-17800000116.9
384D31.1Very low38.6Very low147 Ų147138.4 Ų138.479%0.78680%0.804SS**  -171128.4120.9-134.4-14.3000110.3
385N32.9Very low40.8Very low153 Ų153133.3 Ų133.382%0.81878%0.78SS**  trans156.895.9144-82.1-32.6000113.7
386A31.3Very low43.2Very low95 Ų95129.4 Ų129.479%0.78576%0.755SS**  trans4293134.600000119K388A386-K388 PolarHBondContact O-N 2.81Å
387E30.9Very low45.5Very low200 Ų200123.6 Ų123.694%0.93572%0.718SS**  trans-67.6115.2161-76176.815400110.9
388K34.4Very low48.2Very low192 Ų192114.6 Ų114.684%0.83568%0.68SS**  trans-75.6144.2159.2-85.4178175.1177.60108.9A386 S390A386-K388 PolarHBondContact O-N 2.81Å; K388-S390 PolarHBondContact O-N 3.15Å
389P34.4Very low50.9Low118 Ų118110.8 Ų110.877%0.76665%0.646SS**  trans-66.6122.5178.327.5-30.6000109.5Q391P389-Q391 PolarHBondContact O-N 3.11Å
390S36.1Very low53.6Low116 Ų116105.7 Ų105.781%0.81160%0.604SS**  trans-63.599.8171.449.30000109.4K388 E392K388-S390 PolarHBondContact O-N 3.15Å; S390-E392 PolarHBondContact O-N 3.49Å
391Q46.6Very low56.4Low187 Ų187102.8 Ų102.887%0.87458%0.581SS**PPolyproline II helixtrans-68122.4170.2-78.1179.5-30.600108.8P389P389-Q391 PolarHBondContact O-N 3.11Å
392E56.4Low58.9Low177 Ų17796.5 Ų96.583%0.82754%0.542SS*.PPolyproline II helixtrans-61140.1172.6-68.1-176.7165.500110.5S390 T394S390-E392 PolarHBondContact O-N 3.49Å; E392-T394 PolarHBondContact O-N 3.4Å
393P67.9Low61.5Low71 Ų7194.2 Ų94.246%0.46152%0.518SS..PPolyproline II helixtrans-64.8124-177.425.5-32.6000110.9V417 P418 V420P393-V417 HydrophobicContact CB-CG1 3.89Å; P393-V417 HydrophobicContact CG-CG1 3.84Å; P393-P418 VanDerWaalsContact CB-O 3.27Å; P393-P418 WeakPolarHBondContact CB-O 3.37Å; P393-V420 HydrophobicContact CG-CG2 4.33Å
394T71.8Confident63.9Low114 Ų11491.3 Ų91.370%0.69949%0.489SS*.PPolyproline II helixtrans-77.1125-178.6-33.20000110.7E392 P418E392-T394 PolarHBondContact O-N 3.4Å; T394-P418 WeakPolarHBondContact O-CD 3.37Å
395P80.3Confident66.1Low57 Ų5790.2 Ų90.237%0.3749%0.492SS..PPolyproline II helixtrans-63.3140.2176.1-18.929.9000112.4V417P395-V417 HydrophobicContact CB-CG2 3.9Å; P395-V417 HydrophobicContact CG-CG2 4.01Å
396V82Confident68.4Low28 Ų2890.3 Ų90.317%0.1749%0.486CS..EExtended strand (participates in β ladder)trans-102.6118.5172.5-174.70000108.4L398 F416 P418 I488V396-L398 HydrophobicContact CG1-CD2 4.32Å; V396-L398 HydrophobicContact CG1-CG 4.21Å; V396-F416 PolarHBondContact N-O 3.49Å; V396-F416 PolarHBondContact O-N 3.48Å; V396-P418 HydrophobicContact CG2-CG 4.15Å; V396-I488 HydrophobicContact CG1-CG1 4.27Å; V396-I488 HydrophobicContact CG1-CG2 4.12Å
397H84.1Confident70.6Confident27 Ų2789.5 Ų89.513%0.12546%0.462CS..EExtended strand (participates in β ladder)trans-81.6124.5175.6-64.7-76.9000110.4E415 I488 S489H397-E415 IonicContact CE1-OE1 3.44Å; H397-E415 PolarHBondContact CE1-OE1 3.22Å; H397-E415 WeakPolarHBondContact ND1-CG 3.4Å; H397-E415 IonicContact ND1-OE1 2.69Å; H397-I488 WeakPolarHBondContact O-CA 3.14Å; H397-S489 PolarHBondContact O-N 3.3Å
398L87.2Confident73.1Confident2 Ų284.6 Ų84.61%0.0144%0.439CS..EExtended strand (participates in β ladder)trans-123.2148.3-176.2-68.7161.4000110.8V396 N413 F414 F416 L448 I451 V452 L486 S487 I488V396-L398 HydrophobicContact CG1-CD2 4.32Å; V396-L398 HydrophobicContact CG1-CG 4.21Å; L398-N413 CarbonylContact O-C 3.46Å; L398-N413 WeakPolarHBondContact O-CA 3.45Å; L398-F414 HydrophobicContact CB-CD2 4.21Å; L398-F414 HydrophobicContact CB-CE1 4.39Å; L398-F414 HydrophobicContact CB-CE2 3.87Å; L398-F414 HydrophobicContact CB-CZ 3.98Å; L398-F414 HydrophobicContact CD1-CD2 4.31Å; L398-F414 HydrophobicContact CD1-CE2 3.67Å; L398-F414 HydrophobicContact CD1-CZ 4.29Å; L398-F414 HydrophobicContact CG-CE2 4.45Å; L398-F414 PolarHBondContact N-O 3.37Å; L398-F414 PolarHBondContact O-N 3.24Å; L398-F416 HydrophobicContact CD1-CB 3.59Å; L398-F416 HydrophobicContact CD1-CG 4.43Å; L398-L448 HydrophobicContact CD1-CD1 3.31Å; L398-I451 HydrophobicContact CD2-CD1 4.32Å; L398-I451 HydrophobicContact CD2-CG2 3.65Å; L398-V452 HydrophobicContact CD1-CG2 4.33Å; L398-L486 HydrophobicContact CD2-CG 4.38Å; L398-S487 CarbonylContact C-O 3.57Å; L398-S487 WeakPolarHBondContact CA-O 3.4Å; L398-I488 HydrophobicContact CD2-CG1 3.81Å
399V90.9Very high75.5Confident17 Ų1779.9 Ų79.910%0.10342%0.423CS..EExtended strand (participates in β ladder)trans-123.3120.7172-170.80000107.9D411 N413 L486 S487V399-D411 HydrophobicContact CG1-CB 3.98Å; V399-N413 VanDerWaalsContact CG2-OD1 3.27Å; V399-N413 WeakPolarHBondContact CG2-OD1 3.22Å; V399-L486 CarbonylContact O-C 3.56Å; V399-L486 WeakPolarHBondContact O-CA 3.34Å; V399-S487 PolarHBondContact N-O 3.5Å; V399-S487 PolarHBondContact O-N 3.35Å
400L91.4Very high77.8Confident0 Ų076.6 Ų76.60%040%0.397CS..EExtended strand (participates in β ladder)trans-100.6110.4168.1174.264.9000108.9L402 I412 F414 L430 I436 I444 F463 Q485 L486L400-L402 HydrophobicContact CD1-CD2 3.99Å; L400-L402 HydrophobicContact CD2-CD2 3.61Å; L400-L402 HydrophobicContact CG-CD2 3.63Å; L400-L402 HydrophobicContact CG-CG 4.46Å; L400-I412 HydrophobicContact CB-CB 4.33Å; L400-I412 HydrophobicContact CD2-CD1 4.16Å; L400-I412 PolarHBondContact N-O 3Å; L400-I412 PolarHBondContact O-N 3.23Å; L400-F414 HydrophobicContact CB-CE1 3.71Å; L400-F414 HydrophobicContact CB-CZ 4.48Å; L400-L430 HydrophobicContact CD2-CD1 3.98Å; L400-I436 HydrophobicContact CD2-CG2 3.92Å; L400-I444 HydrophobicContact CD2-CD1 3.94Å; L400-I444 HydrophobicContact CD2-CG1 4.42Å; L400-I444 HydrophobicContact CD2-CG2 4.18Å; L400-F463 HydrophobicContact CD1-CE1 4.41Å; L400-F463 HydrophobicContact CD1-CZ 3.8Å; L400-Q485 CarbonylContact C-O 3.59Å; L400-Q485 WeakPolarHBondContact CA-O 3.49Å; L400-L486 HydrophobicContact CB-CD1 3.93Å; L400-L486 HydrophobicContact CD1-CD1 4.22Å
401R91.9Very high80.3Confident98 Ų9873.9 Ų73.937%0.3737%0.373SS..EExtended strand (participates in β ladder)trans-101.3121.7175.6178.2174.9-73.7171.10.3110L409 H410 D411 L480 G484 Q485R401-L409 HydrophobicContact CG-CD2 4.35Å; R401-H410 WeakPolarHBondContact CA-O 2.81Å; R401-D411 WeakPolarHBondContact CB-OD1 3.44Å; R401-D411 WeakPolarHBondContact CD-OD1 3.43Å; R401-D411 WeakPolarHBondContact CG-OD1 3.37Å; R401-D411 IonicContact CZ-OD1 3.51Å; R401-D411 IonicContact CZ-OD2 2.77Å; R401-D411 IonicContact NE-OD1 2.79Å; R401-D411 PolarHBondContact NE-OD1 3.06Å; R401-D411 IonicContact NE-OD2 2.61Å; R401-D411 PolarHBondContact NE-OD2 2.99Å; R401-D411 IonicContact NH2-OD1 3.8Å; R401-D411 IonicContact NH2-OD2 2.77Å; R401-D411 PolarHBondContact NH2-OD2 3.41Å; R401-L480 HydrophobicContact CB-CD1 4.24Å; R401-L480 HydrophobicContact CG-CD1 3.55Å; R401-G484 CarbonylContact O-C 3.55Å; R401-G484 WeakPolarHBondContact O-CA 3.01Å; R401-Q485 HydrophobicContact CB-CB 4.36Å; R401-Q485 PolarHBondContact N-O 2.86Å; R401-Q485 PolarHBondContact O-N 3.04Å
402L91.3Very high82.2Confident8 Ų865.4 Ų65.44%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-153169.7176.756.589.6000110.6L400 H410 I412 I436 I444 L465L400-L402 HydrophobicContact CD1-CD2 3.99Å; L400-L402 HydrophobicContact CD2-CD2 3.61Å; L400-L402 HydrophobicContact CG-CD2 3.63Å; L400-L402 HydrophobicContact CG-CG 4.46Å; L402-H410 PolarHBondContact N-O 3.1Å; L402-H410 PolarHBondContact O-N 3.13Å; L402-I412 HydrophobicContact CD2-CD1 4.34Å; L402-I436 HydrophobicContact CD2-CG2 3.77Å; L402-I444 HydrophobicContact CD2-CD1 4.38Å; L402-L465 HydrophobicContact CB-CD1 4.17Å
403R86.8Confident83.7Confident73 Ų7360.2 Ų60.228%0.27531%0.312SS..EExtended strand (participates in β ladder)trans-84129.5176.4-71.1-178.3-179.1-100.32111.3R407 E408 L409 A479 L480R403-R407 PolarHBondContact NH1-O 3.22Å; R403-E408 CarbonylContact C-O 3.59Å; R403-E408 VanDerWaalsContact CA-O 3.26Å; R403-E408 WeakPolarHBondContact CA-O 3.47Å; R403-L409 HydrophobicContact CG-CD2 4.06Å; R403-A479 PolarHBondContact NE-O 2.85Å; R403-A479 PolarHBondContact NH2-O 3.46Å; R403-L480 WeakPolarHBondContact CD-O 3.02Å; R403-L480 PolarHBondContact NE-O 3.44Å
404N83.1Confident84.5Confident38 Ų3857.1 Ų57.120%0.20329%0.291CS..  trans-73.5-179.1175.369.114.1000111.9K406 R407 E408 H410N404-K406 PolarHBondContact O-N 2.94Å; N404-K406 VanDerWaalsContact O-N 3.11Å; N404-K406 VanDerWaalsContact OD1-CA 3.31Å; N404-K406 WeakPolarHBondContact OD1-CA 3.09Å; N404-K406 WeakPolarHBondContact OD1-CB 3.09Å; N404-K406 PolarHBondContact OD1-N 3.39Å; N404-R407 PolarHBondContact O-N 3.22Å; N404-R407 PolarHBondContact OD1-N 3.48Å; N404-R407 VanDerWaalsContact OD1-N 3.17Å; N404-E408 PolarHBondContact N-O 2.99Å; N404-E408 PolarHBondContact OD1-N 3.13Å; N404-E408 PolarHBondContact OD1-O 3.32Å; N404-H410 HydrophobicContact CB-CB 4.15Å
405S76.4Confident85.2Confident123 Ų12353.1 Ų53.186%0.8627%0.265SS*.THydrogen-bonded Turntrans-59.8-20.6176.856.10000114.6R407S405-R407 VanDerWaalsContact C-N 3.34Å
406K80.2Confident85.4Confident155 Ų15551 Ų5167%0.67425%0.25SC*.THydrogen-bonded Turntrans-89.15.9173.5-60.8-177.6-179.4175.50113.6N404 E408N404-K406 PolarHBondContact O-N 2.94Å; N404-K406 VanDerWaalsContact O-N 3.11Å; N404-K406 VanDerWaalsContact OD1-CA 3.31Å; N404-K406 WeakPolarHBondContact OD1-CA 3.09Å; N404-K406 WeakPolarHBondContact OD1-CB 3.09Å; N404-K406 PolarHBondContact OD1-N 3.39Å; K406-E408 VanDerWaalsContact C-N 3.26Å; K406-E408 HydrophobicContact CB-CG 4.32Å; K406-E408 PolarHBondContact O-N 2.89Å
407R78.9Confident85.5Confident78 Ų7850.4 Ų50.429%0.29425%0.246SC..SBendtrans65.822.8-177.9-54.8-71169176.9-17.6114.3R403 N404 S405 L470 E473R403-R407 PolarHBondContact NH1-O 3.22Å; N404-R407 PolarHBondContact O-N 3.22Å; N404-R407 PolarHBondContact OD1-N 3.48Å; N404-R407 VanDerWaalsContact OD1-N 3.17Å; S405-R407 VanDerWaalsContact C-N 3.34Å; R407-L470 VanDerWaalsContact CZ-CG 3.47Å; R407-E473 WeakPolarHBondContact CD-OE1 3.48Å; R407-E473 IonicContact CZ-OE2 3.95Å; R407-E473 IonicContact NE-OE2 2.7Å; R407-E473 IonicContact NH1-OE2 3.49Å; R407-E473 PolarHBondContact NH1-OE2 3.39Å
408E82.5Confident85.3Confident98 Ų9851.4 Ų51.446%0.45826%0.255SS..  trans-98.7142.7176.6-60.1173.1139.200110.4R403 N404 K406 H410R403-E408 CarbonylContact C-O 3.59Å; R403-E408 VanDerWaalsContact CA-O 3.26Å; R403-E408 WeakPolarHBondContact CA-O 3.47Å; N404-E408 PolarHBondContact N-O 2.99Å; N404-E408 PolarHBondContact OD1-N 3.13Å; N404-E408 PolarHBondContact OD1-O 3.32Å; K406-E408 VanDerWaalsContact C-N 3.26Å; K406-E408 HydrophobicContact CB-CG 4.32Å; K406-E408 PolarHBondContact O-N 2.89Å; E408-H410 PolarHBondContact O-N 3.46Å
409L85.8Confident84.8Confident93 Ų9355.5 Ų55.549%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-61.4127.5172.6-72171.7000109.9R401 R403 L480R401-L409 HydrophobicContact CG-CD2 4.35Å; R403-L409 HydrophobicContact CG-CD2 4.06Å; L409-L480 HydrophobicContact CD2-CB 3.9Å; L409-L480 HydrophobicContact CD2-CD1 4.05Å
410H81.5Confident84.3Confident49 Ų4958.5 Ų58.523%0.22732%0.315CS..EExtended strand (participates in β ladder)trans-131.1128.7-176.3-172.559.1000110R401 L402 N404 E408R401-H410 WeakPolarHBondContact CA-O 2.81Å; L402-H410 PolarHBondContact N-O 3.1Å; L402-H410 PolarHBondContact O-N 3.13Å; N404-H410 HydrophobicContact CB-CB 4.15Å; E408-H410 PolarHBondContact O-N 3.46Å
411D89.2Confident84.1Confident58 Ų5859.3 Ų59.331%0.3132%0.32SS..EExtended strand (participates in β ladder)trans-102.9111.7178.9-700.2000109.6V399 R401V399-D411 HydrophobicContact CG1-CB 3.98Å; R401-D411 WeakPolarHBondContact CB-OD1 3.44Å; R401-D411 WeakPolarHBondContact CD-OD1 3.43Å; R401-D411 WeakPolarHBondContact CG-OD1 3.37Å; R401-D411 IonicContact CZ-OD1 3.51Å; R401-D411 IonicContact CZ-OD2 2.77Å; R401-D411 IonicContact NE-OD1 2.79Å; R401-D411 PolarHBondContact NE-OD1 3.06Å; R401-D411 IonicContact NE-OD2 2.61Å; R401-D411 PolarHBondContact NE-OD2 2.99Å; R401-D411 IonicContact NH2-OD1 3.8Å; R401-D411 IonicContact NH2-OD2 2.77Å; R401-D411 PolarHBondContact NH2-OD2 3.41Å
412I87.1Confident84Confident9 Ų959 Ų595%0.04633%0.329CS..EExtended strand (participates in β ladder)trans-95.9103.5171.8-54.8158.8000106.5L400 L402 F414 L430 L435 I436L400-I412 HydrophobicContact CB-CB 4.33Å; L400-I412 HydrophobicContact CD2-CD1 4.16Å; L400-I412 PolarHBondContact N-O 3Å; L400-I412 PolarHBondContact O-N 3.23Å; L402-I412 HydrophobicContact CD2-CD1 4.34Å; I412-F414 HydrophobicContact CG2-CD1 4.22Å; I412-L430 HydrophobicContact CG2-CD2 3.72Å; I412-L435 HydrophobicContact CD1-CB 3.84Å; I412-L435 HydrophobicContact CG1-CB 4.41Å; I412-L435 HydrophobicContact CG2-CD1 3.98Å; I412-I436 HydrophobicContact CD1-CG2 3.8Å
413N88Confident83.9Confident69 Ų6959.2 Ų59.237%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-80.4146.7171.5-54.8-95.6000107.2L398 V399 P496L398-N413 CarbonylContact O-C 3.46Å; L398-N413 WeakPolarHBondContact O-CA 3.45Å; V399-N413 VanDerWaalsContact CG2-OD1 3.27Å; V399-N413 WeakPolarHBondContact CG2-OD1 3.22Å; N413-P496 HydrophobicContact CB-CB 3.48Å; N413-P496 VanDerWaalsContact CB-CB 3.48Å; N413-P496 HydrophobicContact CB-CG 3.18Å; N413-P496 WeakPolarHBondContact O-CB 3.49Å
414F85.2Confident84Confident6 Ų659.9 Ų59.93%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-157.7163.2167.956.2-83.3000112.4L398 L400 I412 V426 L430 L448 L486 P496L398-F414 HydrophobicContact CB-CD2 4.21Å; L398-F414 HydrophobicContact CB-CE1 4.39Å; L398-F414 HydrophobicContact CB-CE2 3.87Å; L398-F414 HydrophobicContact CB-CZ 3.98Å; L398-F414 HydrophobicContact CD1-CD2 4.31Å; L398-F414 HydrophobicContact CD1-CE2 3.67Å; L398-F414 HydrophobicContact CD1-CZ 4.29Å; L398-F414 HydrophobicContact CG-CE2 4.45Å; L398-F414 PolarHBondContact N-O 3.37Å; L398-F414 PolarHBondContact O-N 3.24Å; L400-F414 HydrophobicContact CB-CE1 3.71Å; L400-F414 HydrophobicContact CB-CZ 4.48Å; I412-F414 HydrophobicContact CG2-CD1 4.22Å; F414-V426 HydrophobicContact CD2-CG1 3.73Å; F414-V426 HydrophobicContact CE2-CG1 3.68Å; F414-V426 HydrophobicContact CZ-CG1 4.45Å; F414-L430 HydrophobicContact CE1-CD1 4.26Å; F414-L448 HydrophobicContact CE2-CD1 3.89Å; F414-L448 HydrophobicContact CE2-CD2 4.26Å; F414-L448 HydrophobicContact CZ-CD1 4.23Å; F414-L486 HydrophobicContact CE1-CD1 4.24Å; F414-L486 HydrophobicContact CZ-CD1 3.76Å; F414-P496 VanDerWaalsContact N-CG 3.26Å
415E85.4Confident84.2Confident30 Ų3059.3 Ų59.314%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-101.6135.2173.3-80.3168.8-161.200110.2H397 S495H397-E415 IonicContact CE1-OE1 3.44Å; H397-E415 PolarHBondContact CE1-OE1 3.22Å; H397-E415 WeakPolarHBondContact ND1-CG 3.4Å; H397-E415 IonicContact ND1-OE1 2.69Å; E415-S495 WeakPolarHBondContact OE1-CA 3.29Å; E415-S495 WeakPolarHBondContact OE1-CB 3.13Å; E415-S495 PolarHBondContact OE1-OG 3.02Å
416F85Confident84.7Confident12 Ų1253.9 Ų53.95%0.05331%0.306CS..EExtended strand (participates in β ladder)trans-116.5121.8169.8-174-79.6000109V396 L398 P418 D421 V426 L448 V452V396-F416 PolarHBondContact N-O 3.49Å; V396-F416 PolarHBondContact O-N 3.48Å; L398-F416 HydrophobicContact CD1-CB 3.59Å; L398-F416 HydrophobicContact CD1-CG 4.43Å; F416-P418 HydrophobicContact CD1-CG 4.32Å; F416-P418 HydrophobicContact CE1-CG 4.44Å; F416-P418 WeakPolarHBondContact O-CD 3.44Å; F416-D421 HydrophobicContact CD2-CB 4.05Å; F416-D421 HydrophobicContact CE2-CB 3.9Å; F416-D421 HydrophobicContact CZ-CB 4.22Å; F416-D421 VanDerWaalsContact CZ-O 3.23Å; F416-D421 WeakPolarHBondContact CZ-O 3.44Å; F416-V426 HydrophobicContact CD2-CG2 3.98Å; F416-V426 HydrophobicContact CE2-CG2 4.29Å; F416-L448 HydrophobicContact CD2-CD1 4.15Å; F416-L448 HydrophobicContact CD2-CD2 4.05Å; F416-L448 HydrophobicContact CD2-CG 4.19Å; F416-L448 HydrophobicContact CE2-CD2 4.25Å; F416-L448 HydrophobicContact CE2-CG 4.35Å; F416-V452 HydrophobicContact CB-CG2 4.42Å; F416-V452 HydrophobicContact CD1-CB 4.32Å; F416-V452 HydrophobicContact CD1-CG1 3.71Å; F416-V452 HydrophobicContact CD1-CG2 3.61Å; F416-V452 HydrophobicContact CD2-CG2 4.28Å; F416-V452 HydrophobicContact CE1-CB 4.24Å; F416-V452 HydrophobicContact CE1-CG1 3.47Å; F416-V452 VanDerWaalsContact CE1-CG1 3.47Å; F416-V452 HydrophobicContact CE1-CG2 3.92Å; F416-V452 HydrophobicContact CG-CG2 3.83Å; F416-V452 HydrophobicContact CZ-CG1 4.27Å; F416-V452 HydrophobicContact CZ-CG2 4.36Å
417V84.5Confident85.1Confident16 Ų1646.5 Ų46.510%0.09727%0.274CS..  trans-105106.4179.5178.90000108P393 P395 G419 V420 D421P393-V417 HydrophobicContact CB-CG1 3.89Å; P393-V417 HydrophobicContact CG-CG1 3.84Å; P395-V417 HydrophobicContact CB-CG2 3.9Å; P395-V417 HydrophobicContact CG-CG2 4.01Å; V417-G419 PolarHBondContact O-N 3.01Å; V417-V420 HydrophobicContact CB-CB 4.08Å; V417-V420 HydrophobicContact CB-CG2 4.47Å; V417-V420 HydrophobicContact CG1-CB 3.85Å; V417-V420 HydrophobicContact CG1-CG2 3.7Å; V417-V420 PolarHBondContact O-N 2.83Å; V417-D421 PolarHBondContact N-OD2 2.98Å; V417-D421 PolarHBondContact O-N 3.35Å
418P79.8Confident85.5Confident48 Ų4848.2 Ų48.231%0.31229%0.285SS..BIsolated β-bridgetrans-55.3130.5178.2-24.634.9000111.6P393 T394 V396 F416 V420 V452P393-P418 VanDerWaalsContact CB-O 3.27Å; P393-P418 WeakPolarHBondContact CB-O 3.37Å; T394-P418 WeakPolarHBondContact O-CD 3.37Å; V396-P418 HydrophobicContact CG2-CG 4.15Å; F416-P418 HydrophobicContact CD1-CG 4.32Å; F416-P418 HydrophobicContact CE1-CG 4.44Å; F416-P418 WeakPolarHBondContact O-CD 3.44Å; P418-V420 VanDerWaalsContact C-N 3.29Å; P418-V420 PolarHBondContact O-N 3.39Å; P418-V452 HydrophobicContact CG-CG1 4.42Å
419G76.9Confident85.7Confident87 Ų8745.6 Ų45.690%0.89727%0.273SS*.THydrogen-bonded Turntrans86.5-13.7-17900000115.1V417V417-G419 PolarHBondContact O-N 3.01Å
420V80.5Confident85.9Confident80 Ų8041.6 Ų41.649%0.48525%0.252SS..THydrogen-bonded Turntrans-106.9-44.6173178.60000110.7P393 V417 P418P393-V420 HydrophobicContact CG-CG2 4.33Å; V417-V420 HydrophobicContact CB-CB 4.08Å; V417-V420 HydrophobicContact CB-CG2 4.47Å; V417-V420 HydrophobicContact CG1-CB 3.85Å; V417-V420 HydrophobicContact CG1-CG2 3.7Å; V417-V420 PolarHBondContact O-N 2.83Å; P418-V420 VanDerWaalsContact C-N 3.29Å; P418-V420 PolarHBondContact O-N 3.39Å
421D85.2Confident86.1Confident17 Ų1740.7 Ų40.79%0.09125%0.25CC..BIsolated β-bridgetrans-98.4147.6-179.5-50.2-40.9000111.3F416 V417 V426 K498F416-D421 HydrophobicContact CD2-CB 4.05Å; F416-D421 HydrophobicContact CE2-CB 3.9Å; F416-D421 HydrophobicContact CZ-CB 4.22Å; F416-D421 VanDerWaalsContact CZ-O 3.23Å; F416-D421 WeakPolarHBondContact CZ-O 3.44Å; V417-D421 PolarHBondContact N-OD2 2.98Å; V417-D421 PolarHBondContact O-N 3.35Å; D421-V426 HydrophobicContact CB-CG2 3.94Å; D421-K498 IonicContact OD1-NZ 3.32Å; D421-K498 PolarHBondContact OD1-NZ 3.14Å; D421-K498 WeakPolarHBondContact OD2-CE 3.44Å; D421-K498 IonicContact OD2-NZ 3.85Å; D421-K498 PolarHBondContact OD2-NZ 2.91Å
422T89.8Confident85.6Confident91 Ų9141.5 Ų41.556%0.55826%0.26SS*.  trans-106146.3168.361.10000109D424 G425 V426T422-D424 PolarHBondContact O-N 3.32Å; T422-G425 PolarHBondContact O-N 2.76Å; T422-G425 VanDerWaalsContact O-N 3.15Å; T422-G425 PolarHBondContact OG1-N 3.24Å; T422-G425 VanDerWaalsContact OG1-N 3.08Å; T422-V426 PolarHBondContact O-N 3.09Å
423A89.1Confident85.5Confident13 Ų1343.3 Ų43.311%0.10728%0.276CS..Hα-helixtrans-60.8-36.8179.400000111.9S427 S445 L448 A449A423-S427 WeakPolarHBondContact O-CB 3.37Å; A423-S427 PolarHBondContact O-N 2.74Å; A423-S445 VanDerWaalsContact C-OG 3.26Å; A423-S445 WeakPolarHBondContact CB-O 3.41Å; A423-L448 HydrophobicContact CB-CB 4.13Å; A423-L448 HydrophobicContact CB-CD2 4.02Å; A423-L448 HydrophobicContact CB-CG 4Å; A423-A449 HydrophobicContact CB-CB 4.07Å
424D89.5Confident85.4Confident88 Ų8845.1 Ų45.147%0.47130%0.295SS..Hα-helixtrans-64.7-44.6174.1-68-40.2000111.7T422 S427 Q428 S445T422-D424 PolarHBondContact O-N 3.32Å; D424-S427 PolarHBondContact O-N 3.03Å; D424-Q428 VanDerWaalsContact O-CG 3.32Å; D424-Q428 WeakPolarHBondContact O-CG 3.32Å; D424-Q428 PolarHBondContact O-N 2.84Å; D424-S445 WeakPolarHBondContact CA-OG 3.46Å; D424-S445 PolarHBondContact N-OG 3.25Å; D424-S445 VanDerWaalsContact N-OG 3.15Å; D424-S445 VanDerWaalsContact OD1-CB 3.3Å; D424-S445 WeakPolarHBondContact OD1-CB 3.22Å; D424-S445 PolarHBondContact OD1-OG 3.1Å
425G86.9Confident85.3Confident26 Ų2647.6 Ų47.627%0.26831%0.308SS..Hα-helixtrans-58.2-51.5177.800000111.9T422 S427 Q428 E429T422-G425 PolarHBondContact O-N 2.76Å; T422-G425 VanDerWaalsContact O-N 3.15Å; T422-G425 PolarHBondContact OG1-N 3.24Å; T422-G425 VanDerWaalsContact OG1-N 3.08Å; G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3.36Å; G425-Q428 PolarHBondContact O-N 2.77Å; G425-E429 WeakPolarHBondContact O-CG 3.4Å; G425-E429 PolarHBondContact O-N 2.99Å
426V88.7Confident85.4Confident8 Ų846.8 Ų46.85%0.04830%0.304CS..Hα-helixtrans-60.8-41.4177.7175.50000111.3F414 F416 D421 T422 E429 L430 L448F414-V426 HydrophobicContact CD2-CG1 3.73Å; F414-V426 HydrophobicContact CE2-CG1 3.68Å; F414-V426 HydrophobicContact CZ-CG1 4.45Å; F416-V426 HydrophobicContact CD2-CG2 3.98Å; F416-V426 HydrophobicContact CE2-CG2 4.29Å; D421-V426 HydrophobicContact CB-CG2 3.94Å; T422-V426 PolarHBondContact O-N 3.09Å; V426-E429 WeakPolarHBondContact O-CB 3.46Å; V426-E429 PolarHBondContact O-N 3.15Å; V426-L430 WeakPolarHBondContact O-CG 3.26Å; V426-L430 PolarHBondContact O-N 3.49Å; V426-L448 HydrophobicContact CB-CD2 3.8Å; V426-L448 HydrophobicContact CG1-CD2 3.82Å
427S88.8Confident85.5Confident1 Ų148.9 Ų48.91%0.00732%0.316CS..Hα-helixtrans-64.1-42.5177.8-168.80000112.6A423 D424 G425 L430 V431 A441A423-S427 WeakPolarHBondContact O-CB 3.37Å; A423-S427 PolarHBondContact O-N 2.74Å; D424-S427 PolarHBondContact O-N 3.03Å; G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3.36Å; S427-L430 WeakPolarHBondContact O-CB 3.44Å; S427-L430 PolarHBondContact O-N 2.58Å; S427-V431 WeakPolarHBondContact O-CG2 3.46Å; S427-V431 PolarHBondContact O-N 2.9Å; S427-V431 VanDerWaalsContact O-N 3.09Å; S427-A441 WeakPolarHBondContact CB-O 3.33Å; S427-A441 VanDerWaalsContact OG-C 3.25Å; S427-A441 WeakPolarHBondContact OG-CA 3.49Å; S427-A441 PolarHBondContact OG-O 3.02Å
428Q87Confident85.7Confident114 Ų11452.2 Ų52.253%0.53334%0.34SS..Hα-helixtrans-66.4-37.2175.9-68.6-61.1-22.700112.3D424 G425 L430 V431 S432D424-Q428 VanDerWaalsContact O-CG 3.32Å; D424-Q428 WeakPolarHBondContact O-CG 3.32Å; D424-Q428 PolarHBondContact O-N 2.84Å; G425-Q428 PolarHBondContact O-N 2.77Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3.07Å; Q428-V431 PolarHBondContact O-N 3.23Å; Q428-S432 WeakPolarHBondContact O-CB 3.35Å; Q428-S432 PolarHBondContact O-N 3.11Å
429E86.9Confident86.1Confident42 Ų4256.3 Ų56.320%0.19635%0.349CS..Hα-helixtrans-58.2-45.1172-77.2-176.8-162.700111.2G425 V426 V431 S432 A433 A499G425-E429 WeakPolarHBondContact O-CG 3.4Å; G425-E429 PolarHBondContact O-N 2.99Å; V426-E429 WeakPolarHBondContact O-CB 3.46Å; V426-E429 PolarHBondContact O-N 3.15Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 3.42Å; E429-S432 PolarHBondContact O-N 2.92Å; E429-S432 PolarHBondContact O-OG 2.88Å; E429-A433 WeakPolarHBondContact O-CB 3.1Å; E429-A433 PolarHBondContact O-N 3.45Å; E429-A499 HydrophobicContact CB-CB 4.02Å; E429-A499 HydrophobicContact CG-CB 4.45Å; E429-A499 WeakPolarHBondContact CG-O 3.26Å; E429-A499 WeakPolarHBondContact OE2-CA 3.25Å; E429-A499 PolarHBondContact OE2-N 3.17Å; E429-A499 VanDerWaalsContact OE2-N 3.09Å; E429-A499 VanDerWaalsContact OE2-O 3.09Å
430L88.1Confident86.9Confident9 Ų952.3 Ų52.35%0.04731%0.307CS..Hα-helixtrans-61.8-39176.4-68.2176.6000112.5L400 I412 F414 V426 S427 Q428 S434 L435 I436 I444L400-L430 HydrophobicContact CD2-CD1 3.98Å; I412-L430 HydrophobicContact CG2-CD2 3.72Å; F414-L430 HydrophobicContact CE1-CD1 4.26Å; V426-L430 WeakPolarHBondContact O-CG 3.26Å; V426-L430 PolarHBondContact O-N 3.49Å; S427-L430 WeakPolarHBondContact O-CB 3.44Å; S427-L430 PolarHBondContact O-N 2.58Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 3.07Å; L430-S434 PolarHBondContact O-N 3.04Å; L430-L435 HydrophobicContact CD2-CB 4.47Å; L430-L435 HydrophobicContact CD2-CD1 3.82Å; L430-L435 WeakPolarHBondContact O-CB 3.49Å; L430-L435 PolarHBondContact O-N 3.29Å; L430-I436 HydrophobicContact CB-CD1 3.61Å; L430-I436 HydrophobicContact CB-CG1 3.76Å; L430-I436 HydrophobicContact CB-CG2 4.29Å; L430-I436 HydrophobicContact CD1-CD1 4.34Å; L430-I444 HydrophobicContact CD1-CG2 4.45Å
431V86Confident87.3Confident31 Ų3148.9 Ų48.919%0.18829%0.287CS..Hα-helixtrans-64.6-46.1173177.30000110.6S427 Q428 E429 A433 S434 I436 A441S427-V431 WeakPolarHBondContact O-CG2 3.46Å; S427-V431 PolarHBondContact O-N 2.9Å; S427-V431 VanDerWaalsContact O-N 3.09Å; Q428-V431 PolarHBondContact O-N 3.23Å; E429-V431 VanDerWaalsContact C-N 3.34Å; E429-V431 PolarHBondContact O-N 3.42Å; V431-A433 VanDerWaalsContact C-N 3.26Å; V431-A433 PolarHBondContact O-N 3.4Å; V431-S434 WeakPolarHBondContact O-CA 3.29Å; V431-S434 PolarHBondContact O-N 3.23Å; V431-I436 HydrophobicContact CB-CG1 4.44Å; V431-I436 HydrophobicContact CG2-CD1 3.81Å; V431-I436 HydrophobicContact CG2-CG1 3.69Å; V431-A441 HydrophobicContact CG2-CB 3.72Å
432S79.7Confident87.6Confident74 Ų7453.1 Ų53.152%0.51731%0.306SS..Hα-helixtrans-62.9-33.8-178.179.80000112.5Q428 E429 S434Q428-S432 WeakPolarHBondContact O-CB 3.35Å; Q428-S432 PolarHBondContact O-N 3.11Å; E429-S432 PolarHBondContact O-N 2.92Å; E429-S432 PolarHBondContact O-OG 2.88Å; S432-S434 PolarHBondContact O-N 3.3Å
433A84.8Confident87.7Confident47 Ų4749.5 Ų49.539%0.38828%0.284SS..THydrogen-bonded Turntrans-77.11.117400000113.2E429 V431 L435E429-A433 WeakPolarHBondContact O-CB 3.1Å; E429-A433 PolarHBondContact O-N 3.45Å; V431-A433 VanDerWaalsContact C-N 3.26Å; V431-A433 PolarHBondContact O-N 3.4Å; A433-L435 HydrophobicContact CB-CD1 3.82Å; A433-L435 HydrophobicContact CB-CG 3.79Å; A433-L435 PolarHBondContact O-N 3.07Å
434S85.2Confident87.9Confident108 Ų10849 Ų4976%0.75528%0.279SS*.THydrogen-bonded Turntrans56.131.6-175.1-55.20000113.3L430 V431 S432L430-S434 PolarHBondContact O-N 3.04Å; V431-S434 WeakPolarHBondContact O-CA 3.29Å; V431-S434 PolarHBondContact O-N 3.23Å; S432-S434 PolarHBondContact O-N 3.3Å
435L83.8Confident88Confident57 Ų5745 Ų4530%0.29826%0.259SS..SBendtrans-89.3-27.2179.4-64.1174.4000112.4I412 L430 A433I412-L435 HydrophobicContact CD1-CB 3.84Å; I412-L435 HydrophobicContact CG1-CB 4.41Å; I412-L435 HydrophobicContact CG2-CD1 3.98Å; L430-L435 HydrophobicContact CD2-CB 4.47Å; L430-L435 HydrophobicContact CD2-CD1 3.82Å; L430-L435 WeakPolarHBondContact O-CB 3.49Å; L430-L435 PolarHBondContact O-N 3.29Å; A433-L435 HydrophobicContact CB-CD1 3.82Å; A433-L435 HydrophobicContact CB-CG 3.79Å; A433-L435 PolarHBondContact O-N 3.07Å
436I87.6Confident88.2Confident13 Ų1348.1 Ų48.17%0.06727%0.267CS..SBendtrans-132.5156.9178.265.9173.3000110.8L400 L402 I412 L430 V431 I444L400-I436 HydrophobicContact CD2-CG2 3.92Å; L402-I436 HydrophobicContact CD2-CG2 3.77Å; I412-I436 HydrophobicContact CD1-CG2 3.8Å; L430-I436 HydrophobicContact CB-CD1 3.61Å; L430-I436 HydrophobicContact CB-CG1 3.76Å; L430-I436 HydrophobicContact CB-CG2 4.29Å; L430-I436 HydrophobicContact CD1-CD1 4.34Å; V431-I436 HydrophobicContact CB-CG1 4.44Å; V431-I436 HydrophobicContact CG2-CD1 3.81Å; V431-I436 HydrophobicContact CG2-CG1 3.69Å; I436-I444 HydrophobicContact CB-CD1 4.05Å; I436-I444 HydrophobicContact CD1-CD1 3.49Å; I436-I444 VanDerWaalsContact CD1-CD1 3.49Å; I436-I444 HydrophobicContact CG1-CD1 4.35Å; I436-I444 HydrophobicContact CG2-CD1 3.91Å
437D86.4Confident88.3Confident57 Ų5748.2 Ų48.231%0.30527%0.267SS..  trans-70.2138.7173.5-168-62.4000109.9R439 D440D437-R439 PolarHBondContact O-N 3.22Å; D437-R439 VanDerWaalsContact OD1-CB 3.29Å; D437-R439 WeakPolarHBondContact OD1-CB 3.48Å; D437-R439 VanDerWaalsContact OD1-CG 3.32Å; D437-R439 WeakPolarHBondContact OD1-CG 3.34Å; D437-R439 IonicContact OD1-CZ 2.69Å; D437-R439 PolarHBondContact OD1-N 3.1Å; D437-R439 IonicContact OD1-NE 2.75Å; D437-R439 PolarHBondContact OD1-NE 3Å; D437-R439 IonicContact OD1-NH2 2.72Å; D437-R439 IonicContact OD2-CZ 3.52Å; D437-R439 IonicContact OD2-NE 3.15Å; D437-R439 PolarHBondContact OD2-NE 3.21Å; D437-R439 IonicContact OD2-NH2 3.52Å; D437-R439 PolarHBondContact OD2-NH2 3.12Å; D437-D440 WeakPolarHBondContact O-CB 3.43Å; D437-D440 PolarHBondContact O-N 3.09Å
438S88.6Confident88.3Confident85 Ų8548.2 Ų48.259%0.59427%0.266SS*.G310 helixtrans-56.4-26.3178.253.10000113.7D440 A441S438-D440 VanDerWaalsContact C-N 3.26Å; S438-D440 PolarHBondContact O-N 3.12Å; S438-A441 WeakPolarHBondContact O-CB 3.49Å
439R89.5Confident88.3Confident134 Ų13444.8 Ų44.851%0.50626%0.258SS..G310 helixtrans-68.8-26.7176.3-65.5173.4-71.7162.5-0112.4D437 N466 S467D437-R439 PolarHBondContact O-N 3.22Å; D437-R439 VanDerWaalsContact OD1-CB 3.29Å; D437-R439 WeakPolarHBondContact OD1-CB 3.48Å; D437-R439 VanDerWaalsContact OD1-CG 3.32Å; D437-R439 WeakPolarHBondContact OD1-CG 3.34Å; D437-R439 IonicContact OD1-CZ 2.69Å; D437-R439 PolarHBondContact OD1-N 3.1Å; D437-R439 IonicContact OD1-NE 2.75Å; D437-R439 PolarHBondContact OD1-NE 3Å; D437-R439 IonicContact OD1-NH2 2.72Å; D437-R439 IonicContact OD2-CZ 3.52Å; D437-R439 IonicContact OD2-NE 3.15Å; D437-R439 PolarHBondContact OD2-NE 3.21Å; D437-R439 IonicContact OD2-NH2 3.52Å; D437-R439 PolarHBondContact OD2-NH2 3.12Å; R439-N466 HydrophobicContact CB-CB 4.15Å; R439-N466 VanDerWaalsContact O-CB 3.3Å; R439-N466 WeakPolarHBondContact O-CB 3.46Å; R439-N466 PolarHBondContact O-ND2 3Å; R439-S467 PolarHBondContact NH1-O 3.15Å
440D91.7Very high88.2Confident4 Ų447.8 Ų47.82%0.02127%0.27CS..G310 helixtrans-89.4-6.9-176.3-62-33.2000113.1D437 S438 Q442 V443 I444 L465 N466 S467D437-D440 WeakPolarHBondContact O-CB 3.43Å; D437-D440 PolarHBondContact O-N 3.09Å; S438-D440 VanDerWaalsContact C-N 3.26Å; S438-D440 PolarHBondContact O-N 3.12Å; D440-Q442 VanDerWaalsContact C-N 3.33Å; D440-Q442 PolarHBondContact O-N 3.33Å; D440-V443 HydrophobicContact CB-CG1 4.27Å; D440-V443 VanDerWaalsContact O-CG1 3.24Å; D440-V443 WeakPolarHBondContact O-CG1 3.48Å; D440-V443 PolarHBondContact O-N 2.89Å; D440-I444 HydrophobicContact CB-CD1 3.87Å; D440-I444 WeakPolarHBondContact O-CB 3.41Å; D440-I444 WeakPolarHBondContact O-CG1 3.36Å; D440-I444 PolarHBondContact O-N 2.67Å; D440-L465 HydrophobicContact CB-CD2 4.02Å; D440-L465 WeakPolarHBondContact OD1-CB 3.39Å; D440-N466 WeakPolarHBondContact OD1-CA 3.26Å; D440-N466 PolarHBondContact OD1-N 3.36Å; D440-S467 PolarHBondContact OD1-N 2.69Å; D440-S467 PolarHBondContact OD1-OG 3.35Å; D440-S467 WeakPolarHBondContact OD2-CB 3.43Å; D440-S467 PolarHBondContact OD2-OG 3.05Å
441A90.6Very high88.1Confident8 Ų847.5 Ų47.57%0.06627%0.269CS..Hα-helixtrans-56-46-175.800000112.6S427 V431 S438 S445S427-A441 WeakPolarHBondContact CB-O 3.33Å; S427-A441 VanDerWaalsContact OG-C 3.25Å; S427-A441 WeakPolarHBondContact OG-CA 3.49Å; S427-A441 PolarHBondContact OG-O 3.02Å; V431-A441 HydrophobicContact CG2-CB 3.72Å; S438-A441 WeakPolarHBondContact O-CB 3.49Å; A441-S445 WeakPolarHBondContact O-CB 3.32Å; A441-S445 PolarHBondContact O-N 3.22Å
442Q91Very high87.8Confident105 Ų10546.9 Ų46.949%0.49127%0.265SS..Hα-helixtrans-65.5-46.8-178.7-172.664.125.100111.9D440 I444 S445 E446D440-Q442 VanDerWaalsContact C-N 3.33Å; D440-Q442 PolarHBondContact O-N 3.33Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 3.27Å; Q442-S445 PolarHBondContact O-N 2.91Å; Q442-E446 PolarHBondContact NE2-OE1 3.5Å; Q442-E446 WeakPolarHBondContact O-CG 3.42Å; Q442-E446 PolarHBondContact O-N 2.88Å
443V92.7Very high87.5Confident16 Ų1648.3 Ų48.310%0.09727%0.274CS..Hα-helixtrans-69.2-34.2-177.569.20000111.6D440 N447 F463 P464 L465D440-V443 HydrophobicContact CB-CG1 4.27Å; D440-V443 VanDerWaalsContact O-CG1 3.24Å; D440-V443 WeakPolarHBondContact O-CG1 3.48Å; D440-V443 PolarHBondContact O-N 2.89Å; V443-N447 PolarHBondContact O-N 3.44Å; V443-N447 VanDerWaalsContact O-N 3.13Å; V443-N447 PolarHBondContact O-ND2 3.2Å; V443-F463 HydrophobicContact CG1-CD2 4.27Å; V443-F463 HydrophobicContact CG1-CE2 4.31Å; V443-F463 HydrophobicContact CG2-CD2 3.84Å; V443-P464 WeakPolarHBondContact CG2-O 3.29Å; V443-L465 HydrophobicContact CG1-CD2 4.49Å
444I91.6Very high86.6Confident1 Ų152.7 Ų52.71%0.00528%0.284CS..Hα-helixtrans-67.4-44.8174.2-71.2165.3000110.4L400 L402 L430 I436 D440 Q442 E446 N447 L448 F463L400-I444 HydrophobicContact CD2-CD1 3.94Å; L400-I444 HydrophobicContact CD2-CG1 4.42Å; L400-I444 HydrophobicContact CD2-CG2 4.18Å; L402-I444 HydrophobicContact CD2-CD1 4.38Å; L430-I444 HydrophobicContact CD1-CG2 4.45Å; I436-I444 HydrophobicContact CB-CD1 4.05Å; I436-I444 HydrophobicContact CD1-CD1 3.49Å; I436-I444 VanDerWaalsContact CD1-CD1 3.49Å; I436-I444 HydrophobicContact CG1-CD1 4.35Å; I436-I444 HydrophobicContact CG2-CD1 3.91Å; D440-I444 HydrophobicContact CB-CD1 3.87Å; D440-I444 WeakPolarHBondContact O-CB 3.41Å; D440-I444 WeakPolarHBondContact O-CG1 3.36Å; D440-I444 PolarHBondContact O-N 2.67Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 3.27Å; I444-E446 PolarHBondContact O-N 3.05Å; I444-N447 PolarHBondContact O-N 3.34Å; I444-L448 WeakPolarHBondContact O-CB 3.49Å; I444-L448 PolarHBondContact O-N 3.34Å; I444-F463 HydrophobicContact CG1-CE2 3.69Å; I444-F463 HydrophobicContact CG1-CZ 3.85Å
445S91.6Very high85Confident6 Ų653.2 Ų53.24%0.04228%0.283CS..Hα-helixtrans-57.6-47.5176.1177.60000111.9A423 D424 A441 Q442 N447 L448 A449A423-S445 VanDerWaalsContact C-OG 3.26Å; A423-S445 WeakPolarHBondContact CB-O 3.41Å; D424-S445 WeakPolarHBondContact CA-OG 3.46Å; D424-S445 PolarHBondContact N-OG 3.25Å; D424-S445 VanDerWaalsContact N-OG 3.15Å; D424-S445 VanDerWaalsContact OD1-CB 3.3Å; D424-S445 WeakPolarHBondContact OD1-CB 3.22Å; D424-S445 PolarHBondContact OD1-OG 3.1Å; A441-S445 WeakPolarHBondContact O-CB 3.32Å; A441-S445 PolarHBondContact O-N 3.22Å; Q442-S445 PolarHBondContact O-N 2.91Å; S445-N447 PolarHBondContact O-N 3.47Å; S445-L448 WeakPolarHBondContact O-CB 3.12Å; S445-L448 PolarHBondContact O-N 2.94Å; S445-A449 PolarHBondContact O-N 3.44Å
446E91Very high83.3Confident91 Ų9154.2 Ų54.243%0.42530%0.299SS..Hα-helixtrans-62.2-40.6179.3-73.5175.1-163.700112.9Q442 I444 K450Q442-E446 PolarHBondContact NE2-OE1 3.5Å; Q442-E446 WeakPolarHBondContact O-CG 3.42Å; Q442-E446 PolarHBondContact O-N 2.88Å; I444-E446 PolarHBondContact O-N 3.05Å; E446-K450 VanDerWaalsContact O-CG 3.23Å; E446-K450 WeakPolarHBondContact O-CG 3.32Å; E446-K450 PolarHBondContact O-N 2.97Å; E446-K450 VanDerWaalsContact O-N 3.13Å
447N91.7Very high81.6Confident10 Ų1058.7 Ų58.75%0.05333%0.332CS..Hα-helixtrans-76.1-29.6178.4-73.1-69000112.5V443 I444 S445 K450 I451 F463V443-N447 PolarHBondContact O-N 3.44Å; V443-N447 VanDerWaalsContact O-N 3.13Å; V443-N447 PolarHBondContact O-ND2 3.2Å; I444-N447 PolarHBondContact O-N 3.34Å; S445-N447 PolarHBondContact O-N 3.47Å; N447-K450 PolarHBondContact O-N 2.79Å; N447-I451 PolarHBondContact O-N 3.25Å; N447-F463 HydrophobicContact CB-CD1 3.65Å; N447-F463 HydrophobicContact CB-CE1 3.84Å; N447-F463 HydrophobicContact CB-CG 4.1Å; N447-F463 HydrophobicContact CB-CZ 4.42Å; N447-F463 VanDerWaalsContact ND2-CB 3.32Å; N447-F463 WeakPolarHBondContact ND2-CB 3.13Å; N447-F463 WeakPolarHBondContact ND2-CG 3.45Å
448L89.6Confident80.2Confident0 Ų058.2 Ų58.20%034%0.34CS..Hα-helixtrans-64.7-46.5170.8-179.960.3000111.3L398 F414 F416 A423 V426 I444 S445 K450 I451 V452 L486L398-L448 HydrophobicContact CD1-CD1 3.31Å; F414-L448 HydrophobicContact CE2-CD1 3.89Å; F414-L448 HydrophobicContact CE2-CD2 4.26Å; F414-L448 HydrophobicContact CZ-CD1 4.23Å; F416-L448 HydrophobicContact CD2-CD1 4.15Å; F416-L448 HydrophobicContact CD2-CD2 4.05Å; F416-L448 HydrophobicContact CD2-CG 4.19Å; F416-L448 HydrophobicContact CE2-CD2 4.25Å; F416-L448 HydrophobicContact CE2-CG 4.35Å; A423-L448 HydrophobicContact CB-CB 4.13Å; A423-L448 HydrophobicContact CB-CD2 4.02Å; A423-L448 HydrophobicContact CB-CG 4Å; V426-L448 HydrophobicContact CB-CD2 3.8Å; V426-L448 HydrophobicContact CG1-CD2 3.82Å; I444-L448 WeakPolarHBondContact O-CB 3.49Å; I444-L448 PolarHBondContact O-N 3.34Å; S445-L448 WeakPolarHBondContact O-CB 3.12Å; S445-L448 PolarHBondContact O-N 2.94Å; L448-K450 VanDerWaalsContact C-N 3.3Å; L448-K450 PolarHBondContact O-N 3.38Å; L448-I451 HydrophobicContact CD1-CG2 4.4Å; L448-I451 WeakPolarHBondContact O-CG2 3.43Å; L448-I451 PolarHBondContact O-N 3.24Å; L448-V452 HydrophobicContact CD1-CG2 4.02Å; L448-V452 WeakPolarHBondContact O-CB 3.47Å; L448-V452 VanDerWaalsContact O-CG2 3.25Å; L448-V452 WeakPolarHBondContact O-CG2 3.1Å; L448-V452 PolarHBondContact O-N 2.7Å; L448-L486 HydrophobicContact CB-CD2 4.13Å; L448-L486 HydrophobicContact CD1-CD2 3.96Å
449A86.7Confident79.3Confident43 Ų4355.7 Ų55.736%0.35533%0.327SS..Hα-helixtrans-59-42173.300000111.8A423 S445 C453A423-A449 HydrophobicContact CB-CB 4.07Å; S445-A449 PolarHBondContact O-N 3.44Å; A449-C453 WeakPolarHBondContact O-CB 3.43Å; A449-C453 PolarHBondContact O-N 2.92Å; A449-C453 VanDerWaalsContact O-N 3.1Å; A449-C453 PolarHBondContact O-SG 3.1Å
450K85.2Confident79Confident105 Ų10552.6 Ų52.646%0.45733%0.327SS..Hα-helixtrans-63.9-41.4177.6-72.3167.9-162.6164.80113.1E446 N447 L448 K454E446-K450 VanDerWaalsContact O-CG 3.23Å; E446-K450 WeakPolarHBondContact O-CG 3.32Å; E446-K450 PolarHBondContact O-N 2.97Å; E446-K450 VanDerWaalsContact O-N 3.13Å; N447-K450 PolarHBondContact O-N 2.79Å; L448-K450 VanDerWaalsContact C-N 3.3Å; L448-K450 PolarHBondContact O-N 3.38Å; K450-K454 WeakPolarHBondContact O-CG 3.35Å; K450-K454 PolarHBondContact O-N 3.49Å
451I85.2Confident78.9Confident2 Ų253.8 Ų53.81%0.0133%0.334CS..Hα-helixtrans-74.4-38.5-177.8-148.6171.1000111.3L398 N447 L448 K454 V461 L486 I488L398-I451 HydrophobicContact CD2-CD1 4.32Å; L398-I451 HydrophobicContact CD2-CG2 3.65Å; N447-I451 PolarHBondContact O-N 3.25Å; L448-I451 HydrophobicContact CD1-CG2 4.4Å; L448-I451 WeakPolarHBondContact O-CG2 3.43Å; L448-I451 PolarHBondContact O-N 3.24Å; I451-K454 PolarHBondContact O-N 2.98Å; I451-K454 VanDerWaalsContact O-N 3.16Å; I451-V461 HydrophobicContact CD1-CG2 4.39Å; I451-V461 HydrophobicContact CG1-CG2 4.35Å; I451-L486 HydrophobicContact CB-CD2 3.95Å; I451-L486 HydrophobicContact CD1-CB 4.24Å; I451-L486 HydrophobicContact CD1-CD2 4.11Å; I451-L486 HydrophobicContact CD1-CG 4.03Å; I451-L486 VanDerWaalsContact CD1-O 3.32Å; I451-L486 WeakPolarHBondContact CD1-O 3.19Å; I451-L486 HydrophobicContact CG2-CD2 3.32Å; I451-L486 HydrophobicContact CG2-CG 4.2Å; I451-I488 HydrophobicContact CD1-CG1 4.03Å; I451-I488 HydrophobicContact CG1-CD1 4.12Å; I451-I488 HydrophobicContact CG1-CG1 4.03Å
452V79.9Confident79Confident19 Ų1956.3 Ų56.312%0.11535%0.345CS..Hα-helixtrans-69.6-36.7-179.2172.20000111.1L398 F416 P418 L448 K454L398-V452 HydrophobicContact CD1-CG2 4.33Å; F416-V452 HydrophobicContact CB-CG2 4.42Å; F416-V452 HydrophobicContact CD1-CB 4.32Å; F416-V452 HydrophobicContact CD1-CG1 3.71Å; F416-V452 HydrophobicContact CD1-CG2 3.61Å; F416-V452 HydrophobicContact CD2-CG2 4.28Å; F416-V452 HydrophobicContact CE1-CB 4.24Å; F416-V452 HydrophobicContact CE1-CG1 3.47Å; F416-V452 VanDerWaalsContact CE1-CG1 3.47Å; F416-V452 HydrophobicContact CE1-CG2 3.92Å; F416-V452 HydrophobicContact CG-CG2 3.83Å; F416-V452 HydrophobicContact CZ-CG1 4.27Å; F416-V452 HydrophobicContact CZ-CG2 4.36Å; P418-V452 HydrophobicContact CG-CG1 4.42Å; L448-V452 HydrophobicContact CD1-CG2 4.02Å; L448-V452 WeakPolarHBondContact O-CB 3.47Å; L448-V452 VanDerWaalsContact O-CG2 3.25Å; L448-V452 WeakPolarHBondContact O-CG2 3.1Å; L448-V452 PolarHBondContact O-N 2.7Å; V452-K454 PolarHBondContact O-N 2.84Å
453C72.6Confident79.1Confident103 Ų10351.5 Ų51.570%0.69632%0.323SS*.Hα-helixtrans-69-19.3173.7-70.30000113.4A449 T455A449-C453 WeakPolarHBondContact O-CB 3.43Å; A449-C453 PolarHBondContact O-N 2.92Å; A449-C453 VanDerWaalsContact O-N 3.1Å; A449-C453 PolarHBondContact O-SG 3.1Å; C453-T455 VanDerWaalsContact C-N 3.25Å; C453-T455 PolarHBondContact O-N 3.36Å; C453-T455 VanDerWaalsContact O-N 3.15Å
454K66.9Low79.1Confident140 Ų14054.4 Ų54.461%0.60934%0.342SS*.  trans-87.365.6173.8-70.7177-178.8-177.50109.6K450 I451 V452 A456K450-K454 WeakPolarHBondContact O-CG 3.35Å; K450-K454 PolarHBondContact O-N 3.49Å; I451-K454 PolarHBondContact O-N 2.98Å; I451-K454 VanDerWaalsContact O-N 3.16Å; V452-K454 PolarHBondContact O-N 2.84Å; K454-A456 VanDerWaalsContact C-N 3.27Å; K454-A456 PolarHBondContact O-N 2.66Å
455T51.3Low79.1Confident119 Ų11955.2 Ų55.273%0.7335%0.346SS*.  trans-72.275175.922.20000111.4C453C453-T455 VanDerWaalsContact C-N 3.25Å; C453-T455 PolarHBondContact O-N 3.36Å; C453-T455 VanDerWaalsContact O-N 3.15Å
456A48.9Very low79Confident77 Ų7759.8 Ų59.864%0.63637%0.37SS*.SBendtrans-169.3108.9160.400000110.5K454K454-A456 VanDerWaalsContact C-N 3.27Å; K454-A456 PolarHBondContact O-N 2.66Å
457S50.3Low78.8Confident108 Ų10856.8 Ų56.876%0.75536%0.359SS*.SBendtrans44.1110156.5560000118.9G459S457-G459 PolarHBondContact O-N 2.65Å
458G56.8Low78.3Confident47 Ų4757.3 Ų57.349%0.48537%0.367SS..  trans74.822.2155.700000118.5
459G69.7Low77.8Confident31 Ų3158.8 Ų58.832%0.3238%0.377SS..  trans-73.9136.3179.800000113.7S457 S487 I488S457-G459 PolarHBondContact O-N 2.65Å; G459-S487 WeakPolarHBondContact O-CA 3.34Å; G459-I488 PolarHBondContact O-N 2.66Å
460S84.8Confident77.4Confident70 Ų7060.7 Ų60.749%0.4938%0.381SS..EExtended strand (participates in β ladder)trans-125.9148.3161.677.80000110.8L486S460-L486 CarbonylContact C-O 3.52Å; S460-L486 VanDerWaalsContact CA-O 3.22Å; S460-L486 WeakPolarHBondContact CA-O 3.4Å
461V89.6Confident76.8Confident29 Ų2962.2 Ų62.218%0.17640%0.402CS..EExtended strand (participates in β ladder)trans-133.1123.2179.9-179.70000108.2I451 F463 Q485 L486I451-V461 HydrophobicContact CD1-CG2 4.39Å; I451-V461 HydrophobicContact CG1-CG2 4.35Å; V461-F463 HydrophobicContact CG1-CD1 4.44Å; V461-Q485 CarbonylContact O-C 3.48Å; V461-Q485 WeakPolarHBondContact O-CA 3.46Å; V461-L486 PolarHBondContact N-O 3.15Å; V461-L486 PolarHBondContact O-N 3.21Å
462I91.9Very high76.6Confident60 Ų6071.3 Ų71.331%0.30844%0.444SS..EExtended strand (participates in β ladder)trans-98.3138.1170.6-55.6174.3000108E477 L480 F483 G484 Q485I462-E477 HydrophobicContact CB-CG 4.43Å; I462-E477 HydrophobicContact CD1-CG 4.37Å; I462-E477 HydrophobicContact CG2-CG 3.66Å; I462-L480 HydrophobicContact CG2-CD2 3.8Å; I462-F483 HydrophobicContact CG2-CB 3.92Å; I462-F483 HydrophobicContact CG2-CD1 4.12Å; I462-F483 HydrophobicContact CG2-CG 4.32Å; I462-G484 CarbonylContact C-O 3.5Å; I462-G484 WeakPolarHBondContact CA-O 3.44Å; I462-Q485 HydrophobicContact CG1-CB 4.06Å; I462-Q485 HydrophobicContact CG1-CG 3.85Å
463F92.9Very high76.6Confident5 Ų573 Ų732%0.02245%0.451CS..EExtended strand (participates in β ladder)trans-145.7148.9-178.154.3-88.8000111.4L400 V443 I444 N447 V461 L465 F483 G484 L486L400-F463 HydrophobicContact CD1-CE1 4.41Å; L400-F463 HydrophobicContact CD1-CZ 3.8Å; V443-F463 HydrophobicContact CG1-CD2 4.27Å; V443-F463 HydrophobicContact CG1-CE2 4.31Å; V443-F463 HydrophobicContact CG2-CD2 3.84Å; I444-F463 HydrophobicContact CG1-CE2 3.69Å; I444-F463 HydrophobicContact CG1-CZ 3.85Å; N447-F463 HydrophobicContact CB-CD1 3.65Å; N447-F463 HydrophobicContact CB-CE1 3.84Å; N447-F463 HydrophobicContact CB-CG 4.1Å; N447-F463 HydrophobicContact CB-CZ 4.42Å; N447-F463 VanDerWaalsContact ND2-CB 3.32Å; N447-F463 WeakPolarHBondContact ND2-CB 3.13Å; N447-F463 WeakPolarHBondContact ND2-CG 3.45Å; V461-F463 HydrophobicContact CG1-CD1 4.44Å; F463-L465 HydrophobicContact CD2-CD2 4.33Å; F463-L465 HydrophobicContact CE2-CD2 3.82Å; F463-F483 CarbonylContact O-C 3.5Å; F463-F483 VanDerWaalsContact O-CA 3.28Å; F463-F483 WeakPolarHBondContact O-CA 3.24Å; F463-G484 PolarHBondContact N-O 3.04Å; F463-G484 PolarHBondContact O-N 2.85Å; F463-L486 HydrophobicContact CE1-CB 3.98Å
464P92.9Very high77.1Confident77 Ų7774.1 Ų74.150%0.545%0.454SS..EExtended strand (participates in β ladder)trans-68.8145.4176.529.1-34.5000110.9V443 F483V443-P464 WeakPolarHBondContact CG2-O 3.29Å; P464-F483 HydrophobicContact CB-CD1 4.18Å; P464-F483 HydrophobicContact CB-CE1 4.03Å
465L92Very high78Confident17 Ų1773.1 Ų73.19%0.08945%0.452CS..  trans-95.4136.4174.4-64.8173000109.6L402 D440 V443 F463 S467 G468 G482L402-L465 HydrophobicContact CB-CD1 4.17Å; D440-L465 HydrophobicContact CB-CD2 4.02Å; D440-L465 WeakPolarHBondContact OD1-CB 3.39Å; V443-L465 HydrophobicContact CG1-CD2 4.49Å; F463-L465 HydrophobicContact CD2-CD2 4.33Å; F463-L465 HydrophobicContact CE2-CD2 3.82Å; L465-S467 PolarHBondContact O-N 2.67Å; L465-G468 PolarHBondContact O-N 3.23Å; L465-G468 VanDerWaalsContact O-N 3.13Å; L465-G482 PolarHBondContact N-O 2.93Å
466N89.4Confident79.7Confident102 Ų10271 Ų7155%0.54544%0.436SS..THydrogen-bonded Turntrans-67.8-22.1174.8-69.2-27.8000112.1R439 D440 G468R439-N466 HydrophobicContact CB-CB 4.15Å; R439-N466 VanDerWaalsContact O-CB 3.3Å; R439-N466 WeakPolarHBondContact O-CB 3.46Å; R439-N466 PolarHBondContact O-ND2 3Å; D440-N466 WeakPolarHBondContact OD1-CA 3.26Å; D440-N466 PolarHBondContact OD1-N 3.36Å; N466-G468 PolarHBondContact O-N 2.83Å
467S86.3Confident81.6Confident28 Ų2872.6 Ų72.620%0.19643%0.43CS..THydrogen-bonded Turntrans-67.6-21.1173.259.90000113.2R439 D440 L465R439-S467 PolarHBondContact NH1-O 3.15Å; D440-S467 PolarHBondContact OD1-N 2.69Å; D440-S467 PolarHBondContact OD1-OG 3.35Å; D440-S467 WeakPolarHBondContact OD2-CB 3.43Å; D440-S467 PolarHBondContact OD2-OG 3.05Å; L465-S467 PolarHBondContact O-N 2.67Å
468G80.9Confident83.3Confident21 Ų2177 Ų7722%0.21644%0.436CS..  trans64.4-165.8177.100000114.1L465 N466L465-G468 PolarHBondContact O-N 3.23Å; L465-G468 VanDerWaalsContact O-N 3.13Å; N466-G468 PolarHBondContact O-N 2.83Å
469C79.6Confident84.7Confident32 Ų3276.3 Ų76.322%0.21643%0.425CS..  trans-104.4171.5170.663.60000111.1E473 V481C469-E473 HydrophobicContact CB-CB 3.77Å; C469-E473 PolarHBondContact SG-O 2.79Å; C469-E473 VanDerWaalsContact SG-O 3.41Å; C469-V481 HydrophobicContact CB-CG1 3.87Å
470L78Confident85.6Confident82 Ų8275.1 Ų75.143%0.42941%0.412SS..  trans-65.3155.5171.7-68.7173.6000110.2R407 E472 E473R407-L470 VanDerWaalsContact CZ-CG 3.47Å; L470-E472 PolarHBondContact O-N 3.14Å; L470-E473 HydrophobicContact CB-CB 4.5Å; L470-E473 HydrophobicContact CB-CG 4.13Å; L470-E473 PolarHBondContact N-OE2 2.71Å; L470-E473 VanDerWaalsContact N-OE2 3.12Å; L470-E473 PolarHBondContact O-N 3.33Å
471P73.7Confident85.8Confident137 Ų13772.7 Ų72.789%0.8939%0.393SS*.THydrogen-bonded Turntrans-56-20.8177.1-25.634.3000115.1
472E79.8Confident85.7Confident193 Ų19371.6 Ų71.690%0.90239%0.389SS*.THydrogen-bonded Turntrans-92.5-11.3178.9-55.1-171.8-164.700113.2L470L470-E472 PolarHBondContact O-N 3.14Å
473E79.5Confident85.8Confident56 Ų5670.2 Ų70.226%0.26238%0.38SS..SBendtrans-92.8145.8179.9-70.7178.8156.400110.4R407 C469 L470 V481R407-E473 WeakPolarHBondContact CD-OE1 3.48Å; R407-E473 IonicContact CZ-OE2 3.95Å; R407-E473 IonicContact NE-OE2 2.7Å; R407-E473 IonicContact NH1-OE2 3.49Å; R407-E473 PolarHBondContact NH1-OE2 3.39Å; C469-E473 HydrophobicContact CB-CB 3.77Å; C469-E473 PolarHBondContact SG-O 2.79Å; C469-E473 VanDerWaalsContact SG-O 3.41Å; L470-E473 HydrophobicContact CB-CB 4.5Å; L470-E473 HydrophobicContact CB-CG 4.13Å; L470-E473 PolarHBondContact N-OE2 2.71Å; L470-E473 VanDerWaalsContact N-OE2 3.12Å; L470-E473 PolarHBondContact O-N 3.33Å; E473-V481 HydrophobicContact CB-CG1 4.04Å
474V83Confident85.8Confident125 Ų12570 Ų7076%0.75838%0.379SS*.PPolyproline II helixtrans-99.5130.5171.1-178.50000107.6D476 V481V474-D476 PolarHBondContact O-N 2.86Å; V474-V481 WeakPolarHBondContact O-CG1 3.35Å
475E85.9Confident85.8Confident120 Ų12068.3 Ų68.356%0.56137%0.365SS*.PPolyproline II helixtrans-56.6129.3175-69.2-175.517100110.8V481 F483E475-V481 WeakPolarHBondContact CA-O 3.3Å; E475-F483 HydrophobicContact CB-CE2 4.07Å
476D87.1Confident85.8Confident74 Ų7467.5 Ų67.540%0.39636%0.361SS..BIsolated β-bridgetrans-142.4109-179.5-176.9-22.8000109V474 K478 A479 L480 V481V474-D476 PolarHBondContact O-N 2.86Å; D476-K478 VanDerWaalsContact C-N 3.33Å; D476-K478 PolarHBondContact O-N 3.2Å; D476-K478 WeakPolarHBondContact OD1-CA 3.36Å; D476-K478 WeakPolarHBondContact OD1-CB 3.49Å; D476-K478 PolarHBondContact OD1-N 3.1Å; D476-A479 HydrophobicContact CB-CB 3.98Å; D476-A479 CarbonylContact O-C 3.53Å; D476-A479 PolarHBondContact O-N 3.2Å; D476-A479 PolarHBondContact OD1-N 3.49Å; D476-L480 WeakPolarHBondContact O-CA 3.38Å; D476-L480 PolarHBondContact O-N 2.6Å; D476-V481 HydrophobicContact CB-CB 4.2Å; D476-V481 HydrophobicContact CB-CG2 4.4Å; D476-V481 PolarHBondContact N-O 2.83Å; D476-V481 PolarHBondContact O-N 3.43Å
477E89.3Confident85.8Confident110 Ų11064.1 Ų64.151%0.51435%0.345SS..THydrogen-bonded Turntrans-61.5-39179.9-169.2-175.9156.600112.2I462 L480 F483I462-E477 HydrophobicContact CB-CG 4.43Å; I462-E477 HydrophobicContact CD1-CG 4.37Å; I462-E477 HydrophobicContact CG2-CG 3.66Å; E477-L480 PolarHBondContact O-N 2.68Å; E477-F483 HydrophobicContact CB-CD2 4.24Å; E477-F483 HydrophobicContact CB-CE1 4.41Å; E477-F483 HydrophobicContact CB-CE2 4.12Å; E477-F483 HydrophobicContact CB-CG 4.46Å; E477-F483 HydrophobicContact CB-CZ 4.23Å; E477-F483 HydrophobicContact CG-CD1 4.22Å; E477-F483 HydrophobicContact CG-CE1 4.33Å; E477-F483 HydrophobicContact CG-CG 4.43Å
478K86.1Confident85.7Confident201 Ų20164.5 Ų64.587%0.87434%0.344SS*.THydrogen-bonded Turntrans-72-36.2-179.2-69-176179.3178.80111.8D476 L480D476-K478 VanDerWaalsContact C-N 3.33Å; D476-K478 PolarHBondContact O-N 3.2Å; D476-K478 WeakPolarHBondContact OD1-CA 3.36Å; D476-K478 WeakPolarHBondContact OD1-CB 3.49Å; D476-K478 PolarHBondContact OD1-N 3.1Å; K478-L480 VanDerWaalsContact C-N 3.3Å
479A86.3Confident85.4Confident32 Ų3265.1 Ų65.126%0.26435%0.345SS..THydrogen-bonded Turntrans-88.11.4177.300000113.3R403 D476 V481R403-A479 PolarHBondContact NE-O 2.85Å; R403-A479 PolarHBondContact NH2-O 3.46Å; D476-A479 HydrophobicContact CB-CB 3.98Å; D476-A479 CarbonylContact O-C 3.53Å; D476-A479 PolarHBondContact O-N 3.2Å; D476-A479 PolarHBondContact OD1-N 3.49Å; A479-V481 HydrophobicContact CB-CG2 3.94Å; A479-V481 PolarHBondContact O-N 3.17Å
480L88.6Confident84.4Confident7 Ų769.9 Ų69.94%0.03737%0.369CS..THydrogen-bonded Turntrans49.341.3-173.3-60.7172.8000112.7R401 R403 L409 I462 D476 E477 K478 F483 Q485R401-L480 HydrophobicContact CB-CD1 4.24Å; R401-L480 HydrophobicContact CG-CD1 3.55Å; R403-L480 WeakPolarHBondContact CD-O 3.02Å; R403-L480 PolarHBondContact NE-O 3.44Å; L409-L480 HydrophobicContact CD2-CB 3.9Å; L409-L480 HydrophobicContact CD2-CD1 4.05Å; I462-L480 HydrophobicContact CG2-CD2 3.8Å; D476-L480 WeakPolarHBondContact O-CA 3.38Å; D476-L480 PolarHBondContact O-N 2.6Å; E477-L480 PolarHBondContact O-N 2.68Å; K478-L480 VanDerWaalsContact C-N 3.3Å; L480-F483 HydrophobicContact CD2-CB 3.9Å; L480-Q485 HydrophobicContact CD1-CB 4Å; L480-Q485 HydrophobicContact CD2-CB 4Å
481V88.5Confident83.1Confident18 Ų1870.7 Ų70.711%0.10938%0.377CS..BIsolated β-bridgetrans-89.5106.1172.2-179.30000107.4C469 E473 V474 E475 D476 A479 F483C469-V481 HydrophobicContact CB-CG1 3.87Å; E473-V481 HydrophobicContact CB-CG1 4.04Å; V474-V481 WeakPolarHBondContact O-CG1 3.35Å; E475-V481 WeakPolarHBondContact CA-O 3.3Å; D476-V481 HydrophobicContact CB-CB 4.2Å; D476-V481 HydrophobicContact CB-CG2 4.4Å; D476-V481 PolarHBondContact N-O 2.83Å; D476-V481 PolarHBondContact O-N 3.43Å; A479-V481 HydrophobicContact CB-CG2 3.94Å; A479-V481 PolarHBondContact O-N 3.17Å; V481-F483 VanDerWaalsContact C-N 3.33Å; V481-F483 VanDerWaalsContact O-CD2 3.29Å; V481-F483 WeakPolarHBondContact O-CD2 3.31Å
482G89Confident81.7Confident7 Ų767.1 Ų67.17%0.07236%0.359CS..SBendtrans83.14.4-17200000114.6L465L465-G482 PolarHBondContact N-O 2.93Å
483F93.6Very high79.9Confident31 Ų3159.3 Ų59.314%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-126.4151.6-179.2-63.2-97.1000111.7I462 F463 P464 E475 E477 L480 V481I462-F483 HydrophobicContact CG2-CB 3.92Å; I462-F483 HydrophobicContact CG2-CD1 4.12Å; I462-F483 HydrophobicContact CG2-CG 4.32Å; F463-F483 CarbonylContact O-C 3.5Å; F463-F483 VanDerWaalsContact O-CA 3.28Å; F463-F483 WeakPolarHBondContact O-CA 3.24Å; P464-F483 HydrophobicContact CB-CD1 4.18Å; P464-F483 HydrophobicContact CB-CE1 4.03Å; E475-F483 HydrophobicContact CB-CE2 4.07Å; E477-F483 HydrophobicContact CB-CD2 4.24Å; E477-F483 HydrophobicContact CB-CE1 4.41Å; E477-F483 HydrophobicContact CB-CE2 4.12Å; E477-F483 HydrophobicContact CB-CG 4.46Å; E477-F483 HydrophobicContact CB-CZ 4.23Å; E477-F483 HydrophobicContact CG-CD1 4.22Å; E477-F483 HydrophobicContact CG-CE1 4.33Å; E477-F483 HydrophobicContact CG-CG 4.43Å; L480-F483 HydrophobicContact CD2-CB 3.9Å; V481-F483 VanDerWaalsContact C-N 3.33Å; V481-F483 VanDerWaalsContact O-CD2 3.29Å; V481-F483 WeakPolarHBondContact O-CD2 3.31Å
484G92.6Very high77.9Confident0 Ų062.1 Ų62.10%035%0.354CS..EExtended strand (participates in β ladder)trans-112.3153166.400000110.4R401 I462 F463R401-G484 CarbonylContact O-C 3.55Å; R401-G484 WeakPolarHBondContact O-CA 3.01Å; I462-G484 CarbonylContact C-O 3.5Å; I462-G484 WeakPolarHBondContact CA-O 3.44Å; F463-G484 PolarHBondContact N-O 3.04Å; F463-G484 PolarHBondContact O-N 2.85Å
485Q93.2Very high75.7Confident42 Ų4258.8 Ų58.820%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-123.9127.9174.3-178.8179.916.800109.5L400 R401 V461 I462 L480L400-Q485 CarbonylContact C-O 3.59Å; L400-Q485 WeakPolarHBondContact CA-O 3.49Å; R401-Q485 HydrophobicContact CB-CB 4.36Å; R401-Q485 PolarHBondContact N-O 2.86Å; R401-Q485 PolarHBondContact O-N 3.04Å; V461-Q485 CarbonylContact O-C 3.48Å; V461-Q485 WeakPolarHBondContact O-CA 3.46Å; I462-Q485 HydrophobicContact CG1-CB 4.06Å; I462-Q485 HydrophobicContact CG1-CG 3.85Å; L480-Q485 HydrophobicContact CD1-CB 4Å; L480-Q485 HydrophobicContact CD2-CB 4Å
486L92Very high73.4Confident0 Ų054 Ų540%032%0.315CS..EExtended strand (participates in β ladder)trans-109.3130.6171.6-165.777.2000109L398 V399 L400 F414 L448 I451 S460 V461 F463L398-L486 HydrophobicContact CD2-CG 4.38Å; V399-L486 CarbonylContact O-C 3.56Å; V399-L486 WeakPolarHBondContact O-CA 3.34Å; L400-L486 HydrophobicContact CB-CD1 3.93Å; L400-L486 HydrophobicContact CD1-CD1 4.22Å; F414-L486 HydrophobicContact CE1-CD1 4.24Å; F414-L486 HydrophobicContact CZ-CD1 3.76Å; L448-L486 HydrophobicContact CB-CD2 4.13Å; L448-L486 HydrophobicContact CD1-CD2 3.96Å; I451-L486 HydrophobicContact CB-CD2 3.95Å; I451-L486 HydrophobicContact CD1-CB 4.24Å; I451-L486 HydrophobicContact CD1-CD2 4.11Å; I451-L486 HydrophobicContact CD1-CG 4.03Å; I451-L486 VanDerWaalsContact CD1-O 3.32Å; I451-L486 WeakPolarHBondContact CD1-O 3.19Å; I451-L486 HydrophobicContact CG2-CD2 3.32Å; I451-L486 HydrophobicContact CG2-CG 4.2Å; S460-L486 CarbonylContact C-O 3.52Å; S460-L486 VanDerWaalsContact CA-O 3.22Å; S460-L486 WeakPolarHBondContact CA-O 3.4Å; V461-L486 PolarHBondContact N-O 3.15Å; V461-L486 PolarHBondContact O-N 3.21Å; F463-L486 HydrophobicContact CE1-CB 3.98Å
487S89.6Confident71.1Confident31 Ų3153.2 Ų53.222%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-137.5144.7178.855.50000112.1L398 V399 G459L398-S487 CarbonylContact C-O 3.57Å; L398-S487 WeakPolarHBondContact CA-O 3.4Å; V399-S487 PolarHBondContact N-O 3.5Å; V399-S487 PolarHBondContact O-N 3.35Å; G459-S487 WeakPolarHBondContact O-CA 3.34Å
488I84.4Confident68.5Low36 Ų3650.3 Ų50.319%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-80.2129.8169.5-59.2172000108.5V396 H397 L398 I451 G459V396-I488 HydrophobicContact CG1-CG1 4.27Å; V396-I488 HydrophobicContact CG1-CG2 4.12Å; H397-I488 WeakPolarHBondContact O-CA 3.14Å; L398-I488 HydrophobicContact CD2-CG1 3.81Å; I451-I488 HydrophobicContact CD1-CG1 4.03Å; I451-I488 HydrophobicContact CG1-CD1 4.12Å; I451-I488 HydrophobicContact CG1-CG1 4.03Å; G459-I488 PolarHBondContact O-N 2.66Å
489S73.1Confident65.8Low34 Ų3442.2 Ų42.224%0.23827%0.265CS..  trans-92.8118.3176.1168.80000110.5H397 T491H397-S489 PolarHBondContact O-N 3.3Å; S489-T491 PolarHBondContact O-N 3.24Å; S489-T491 PolarHBondContact OG-N 3.18Å; S489-T491 PolarHBondContact OG-O 3.3Å; S489-T491 PolarHBondContact OG-OG1 3.3Å
490D59.1Low63.2Low132 Ų13245 Ų4571%0.70627%0.271SS*.SBendtrans-72.7-5.2175.6-72.7-22.9000113.4
491T50.2Low60.7Low98 Ų9853.6 Ų53.660%0.60132%0.316SS*.SBendtrans-104.4128.417255.20000109.9S489 G493S489-T491 PolarHBondContact O-N 3.24Å; S489-T491 PolarHBondContact OG-N 3.18Å; S489-T491 PolarHBondContact OG-O 3.3Å; S489-T491 PolarHBondContact OG-OG1 3.3Å; T491-G493 PolarHBondContact O-N 3.39Å
492A44.1Very low59.3Low62 Ų6255.4 Ų55.451%0.51233%0.326SS..  trans-62.575.4159.600000108.5
493G43Very low57.7Low30 Ų3057.9 Ų57.931%0.30934%0.339SS..  trans-65.5165.9167.500000109.5T491 S495T491-G493 PolarHBondContact O-N 3.39Å; G493-S495 PolarHBondContact O-N 3.1Å; G493-S495 VanDerWaalsContact O-N 3.08Å
494P37.7Very low55.7Low115 Ų11559.4 Ų59.475%0.74735%0.351SS*.SBendtrans-55.8123.8178.724.2-30.7000108.9P496P494-P496 WeakPolarHBondContact O-CD 3.19Å
495S35.7Very low53.5Low54 Ų5462.9 Ų62.938%0.37837%0.371SS..  trans-38.3111.1179-57.60000110.8E415 G493 Q497E415-S495 WeakPolarHBondContact OE1-CA 3.29Å; E415-S495 WeakPolarHBondContact OE1-CB 3.13Å; E415-S495 PolarHBondContact OE1-OG 3.02Å; G493-S495 PolarHBondContact O-N 3.1Å; G493-S495 VanDerWaalsContact O-N 3.08Å; S495-Q497 PolarHBondContact O-N 3.19Å
496P39.3Very low51.1Low19 Ų1964.3 Ų64.312%0.12338%0.382CS..PPolyproline II helixtrans-81.4129.8170.93.816.7000105.8N413 F414 P494 K498N413-P496 HydrophobicContact CB-CB 3.48Å; N413-P496 VanDerWaalsContact CB-CB 3.48Å; N413-P496 HydrophobicContact CB-CG 3.18Å; N413-P496 WeakPolarHBondContact O-CB 3.49Å; F414-P496 VanDerWaalsContact N-CG 3.26Å; P494-P496 WeakPolarHBondContact O-CD 3.19Å; P496-K498 PolarHBondContact O-N 2.94Å; P496-K498 VanDerWaalsContact O-N 3.15Å
497Q37.8Very low48.3Very low58 Ų5868.5 Ų68.527%0.27141%0.408SS..PPolyproline II helixtrans-59.5123.7-170-65.8133.857.200111.1P239 P240 S495 A499P239-Q497 VanDerWaalsContact C-CD 3.47Å; P239-Q497 VanDerWaalsContact CA-CG 3.5Å; P239-Q497 HydrophobicContact CB-CB 3.25Å; P239-Q497 HydrophobicContact CB-CG 3.15Å; P239-Q497 VanDerWaalsContact CB-OE1 3.26Å; P239-Q497 HydrophobicContact CG-CB 4.44Å; P240-Q497 VanDerWaalsContact CB-CD 3.47Å; P240-Q497 VanDerWaalsContact CD-NE2 3.29Å; P240-Q497 HydrophobicContact CG-CG 4Å; S495-Q497 PolarHBondContact O-N 3.19Å; Q497-A499 PolarHBondContact O-N 2.72Å
498K33.8Very low45.4Very low49 Ų4971.2 Ų71.221%0.21342%0.421CS..PPolyproline II helixtrans-50.9121.6147.4-68.7-174.1175.7-1650107.7D421 P496 K500D421-K498 IonicContact OD1-NZ 3.32Å; D421-K498 PolarHBondContact OD1-NZ 3.14Å; D421-K498 WeakPolarHBondContact OD2-CE 3.44Å; D421-K498 IonicContact OD2-NZ 3.85Å; D421-K498 PolarHBondContact OD2-NZ 2.91Å; P496-K498 PolarHBondContact O-N 2.94Å; P496-K498 VanDerWaalsContact O-N 3.15Å; K498-K500 PolarHBondContact O-N 2.87Å
499A30.3Very low42.4Very low31 Ų3173.9 Ų73.926%0.25644%0.44SS..  trans-80.158171.700000108.4E429 Q497 I501E429-A499 HydrophobicContact CB-CB 4.02Å; E429-A499 HydrophobicContact CG-CB 4.45Å; E429-A499 WeakPolarHBondContact CG-O 3.26Å; E429-A499 WeakPolarHBondContact OE2-CA 3.25Å; E429-A499 PolarHBondContact OE2-N 3.17Å; E429-A499 VanDerWaalsContact OE2-N 3.09Å; E429-A499 VanDerWaalsContact OE2-O 3.09Å; Q497-A499 PolarHBondContact O-N 2.72Å; A499-I501 PolarHBondContact O-N 2.97Å; A499-I501 VanDerWaalsContact O-N 3.12Å
500K31.2Very low39.8Very low90 Ų9077.3 Ų77.339%0.39146%0.456SS..  trans-69.7107.8164.9-85.5-167.9171.5-166.30108.5K498K498-K500 PolarHBondContact O-N 2.87Å
501I35.7Very low38.1Very low189 Ų18972.3 Ų72.397%0.96943%0.434SS*.  trans-77.40146.5-65.9-177.4000107A499A499-I501 PolarHBondContact O-N 2.97Å; A499-I501 VanDerWaalsContact O-N 3.12Å

Retrieved 501 of 501 residues in 720.9 ms (Link to these results)

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