A0A093HGV5_STRCA Loading...

Krev interaction trapped protein 1

AlphaFold DB , UniProt , Accession A0A093HGV5, Species STRCA (Struthio camelus australis), Gene n/a, Length 736 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
1M31.2Very low54.2Low248 Ų24896.4 Ų96.4100%1.22256%0.555SS**  01080-65.5-169.2-165.900107.3
2G31.9Very low57.3Low79 Ų7988.3 Ų88.381%0.81451%0.509SS*.PPolyproline II helixtrans-78.9130.9176.900000110
3N28.6Very low60Low159 Ų15981.5 Ų81.585%0.8547%0.47SS*.PPolyproline II helixtrans-63.6132.8165.8-103.8-14.7000108.2E5N3-E5 PolarHBondContact O-N 3.01Å
4P35.4Very low62.2Low110 Ų11075.7 Ų75.771%0.71444%0.436SS*.PPolyproline II helixtrans-60.8131.817226-30.8000108.7N6P4-N6 PolarHBondContact O-N 3.11Å
5E39.7Very low64.1Low149 Ų14970.7 Ų70.770%0.69641%0.407SS*.PPolyproline II helixtrans-53.7122.1177-64.5178.715800109.6N3 I7N3-E5 PolarHBondContact O-N 3.01Å; E5-I7 PolarHBondContact O-N 3.12Å
6N46.4Very low65.6Low158 Ų15868.8 Ų68.885%0.84539%0.391SS*.  trans-65.593.6178.8-97.6-18.7000109.9P4 G8P4-N6 PolarHBondContact O-N 3.11Å; N6-G8 PolarHBondContact O-N 2.96Å
7I56.8Low66.8Low90 Ų9066.1 Ų66.146%0.46238%0.377SS..  trans-74111.9168.3-58.2174.1000107.3E5 K57 Q59E5-I7 PolarHBondContact O-N 3.12Å; I7-K57 HydrophobicContact CG2-CB 3.83Å; I7-K57 HydrophobicContact CG2-CD 4.19Å; I7-K57 HydrophobicContact CG2-CG 4.27Å; I7-Q59 HydrophobicContact CG1-CG 4.13Å
8G67.3Low67.6Low34 Ų3465.8 Ų65.835%0.35137%0.371SS..EExtended strand (participates in β ladder)trans-93.6140179.100000112.3N6 A10 V58N6-G8 PolarHBondContact O-N 2.96Å; G8-A10 PolarHBondContact O-N 2.98Å; G8-V58 PolarHBondContact N-O 3.35Å; G8-V58 PolarHBondContact O-N 3.25Å
9D80.8Confident67.5Low11 Ų1168.2 Ų68.26%0.05938%0.383CS..EExtended strand (participates in β ladder)trans-68.5128.2171.1-69.2-28.4000109.7L99 K103 A108 S109D9-L99 WeakPolarHBondContact OD2-CD1 3.1Å; D9-K103 IonicContact OD1-NZ 3.03Å; D9-K103 IonicContact OD2-NZ 3.71Å; D9-K103 PolarHBondContact OD2-NZ 2.81Å; D9-A108 HydrophobicContact CB-CB 4.16Å; D9-A108 VanDerWaalsContact O-CA 3.3Å; D9-A108 WeakPolarHBondContact O-CA 3.23Å; D9-S109 PolarHBondContact O-N 2.78Å
10A86.3Confident67.3Low2 Ų271.8 Ų71.82%0.01741%0.407CS..EExtended strand (participates in β ladder)trans-123.8126.3-177.300000111.1G8 T56 V58 S109 Y111G8-A10 PolarHBondContact O-N 2.98Å; A10-T56 WeakPolarHBondContact CA-O 3.24Å; A10-T56 HydrophobicContact CB-CG2 3.94Å; A10-T56 PolarHBondContact N-O 2.91Å; A10-T56 PolarHBondContact O-N 3.48Å; A10-V58 HydrophobicContact CB-CB 4.4Å; A10-V58 HydrophobicContact CB-CG2 3.52Å; A10-S109 CarbonylContact C-O 3.58Å; A10-S109 WeakPolarHBondContact CA-O 2.96Å; A10-Y111 HydrophobicContact CB-CD2 4Å; A10-Y111 HydrophobicContact CB-CE2 3.72Å
11Y91.8Very high67.3Low20 Ų2069.6 Ų69.68%0.07840%0.397CS..EExtended strand (participates in β ladder)trans-104.6142.5174.3-69.1-88.6000109.9L53 L54 E55 A108 S109 L110 Y111 L152 M156Y11-L53 HydrophobicContact CD1-CB 4.22Å; Y11-L54 CarbonylContact C-O 3.59Å; Y11-L54 VanDerWaalsContact CA-O 3.32Å; Y11-L54 WeakPolarHBondContact CA-O 3.49Å; Y11-E55 HydrophobicContact CD1-CB 4.1Å; Y11-E55 HydrophobicContact CD1-CG 4.27Å; Y11-E55 HydrophobicContact CE1-CB 3.8Å; Y11-E55 HydrophobicContact CE1-CG 3.71Å; Y11-E55 WeakPolarHBondContact CE1-OE2 3.38Å; Y11-E55 VanDerWaalsContact OH-CD 3.23Å; Y11-E55 PolarHBondContact OH-OE2 2.92Å; Y11-A108 HydrophobicContact CD2-CB 3.82Å; Y11-A108 HydrophobicContact CE2-CB 3.65Å; Y11-S109 PolarHBondContact N-O 3.17Å; Y11-L110 CarbonylContact O-C 3.54Å; Y11-L110 WeakPolarHBondContact O-CA 3.46Å; Y11-Y111 PolarHBondContact O-N 3.49Å; Y11-L152 HydrophobicContact CD2-CD2 4.5Å; Y11-L152 HydrophobicContact CE2-CD2 3.63Å; Y11-M156 HydrophobicContact CD1-SD 4.3Å; Y11-M156 HydrophobicContact CD2-CE 3.46Å; Y11-M156 VanDerWaalsContact CD2-CE 3.46Å; Y11-M156 HydrophobicContact CD2-SD 3.93Å; Y11-M156 HydrophobicContact CE2-CE 4.06Å; Y11-M156 HydrophobicContact CG-CE 3.9Å; Y11-M156 HydrophobicContact CG-SD 3.69Å
12V91.4Very high69.4Low0 Ų061.5 Ų61.50%037%0.365CS..EExtended strand (participates in β ladder)trans-123.6118.5-175.6-1710000110.7V14 L54 T56 I68 V72 Y111 V113V12-V14 HydrophobicContact CG1-CG2 4.23Å; V12-L54 HydrophobicContact CB-CB 4.32Å; V12-L54 PolarHBondContact N-O 3.42Å; V12-T56 HydrophobicContact CG2-CG2 4.26Å; V12-I68 HydrophobicContact CG1-CG2 4.21Å; V12-I68 HydrophobicContact CG2-CG2 3.92Å; V12-V72 HydrophobicContact CG1-CG2 3.68Å; V12-Y111 CarbonylContact C-O 3.59Å; V12-Y111 WeakPolarHBondContact CA-O 3.49Å; V12-V113 HydrophobicContact CG1-CB 4.23Å; V12-V113 HydrophobicContact CG1-CG2 3.59Å
13A92.2Very high71.4Confident0 Ų060.1 Ų60.10%034%0.339CS..EExtended strand (participates in β ladder)trans-95.1103.6169.400000109.5I15 L53 L110 Y111 I112 V113 L160A13-I15 HydrophobicContact CB-CD1 4.43Å; A13-I15 HydrophobicContact CB-CG1 4.29Å; A13-L53 HydrophobicContact CB-CD2 4.07Å; A13-L110 HydrophobicContact CB-CD1 4.25Å; A13-Y111 PolarHBondContact N-O 3.25Å; A13-I112 WeakPolarHBondContact O-CA 3.46Å; A13-V113 PolarHBondContact O-N 3.11Å; A13-L160 HydrophobicContact CB-CD2 3.81Å
14V91.1Very high73.6Confident0 Ų058.2 Ų58.20%033%0.328CS..EExtended strand (participates in β ladder)trans-83.8114.7171.3-174.80000108.3V12 L36 L54 V72 V113 A115 F132V12-V14 HydrophobicContact CG1-CG2 4.23Å; V14-L36 HydrophobicContact CB-CB 3.85Å; V14-L36 HydrophobicContact CB-CD2 4.16Å; V14-L36 HydrophobicContact CG2-CD2 4.16Å; V14-L36 PolarHBondContact O-N 3.45Å; V14-L36 VanDerWaalsContact O-N 3.07Å; V14-L54 HydrophobicContact CG2-CD1 4.13Å; V14-V72 HydrophobicContact CG2-CG1 3.78Å; V14-V72 HydrophobicContact CG2-CG2 3.98Å; V14-V113 WeakPolarHBondContact CA-O 3.34Å; V14-V113 HydrophobicContact CG2-CB 4.36Å; V14-A115 HydrophobicContact CG1-CB 4.08Å; V14-F132 HydrophobicContact CG1-CE1 4.44Å; V14-F132 HydrophobicContact CG1-CZ 4.28Å
15I90.8Very high75.6Confident0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-117.6135.8-172.3-53.5177.9000109.6A13 Y33 E34 I35 I112 V113 P114 A115 L160A13-I15 HydrophobicContact CB-CD1 4.43Å; A13-I15 HydrophobicContact CB-CG1 4.29Å; I15-Y33 HydrophobicContact CG2-CD1 3.95Å; I15-E34 WeakPolarHBondContact CA-O 3.47Å; I15-I35 HydrophobicContact CG1-CG1 4.48Å; I15-I112 HydrophobicContact CD1-CD1 4.48Å; I15-I112 HydrophobicContact CD1-CG1 4.3Å; I15-I112 HydrophobicContact CD1-CG2 3.64Å; I15-I112 HydrophobicContact CG1-CG2 4.19Å; I15-V113 PolarHBondContact N-O 2.97Å; I15-P114 WeakPolarHBondContact O-CA 3.47Å; I15-A115 PolarHBondContact O-N 3.2Å; I15-L160 HydrophobicContact CD1-CD1 3.67Å; I15-L160 HydrophobicContact CD1-CD2 3.76Å; I15-L160 HydrophobicContact CD1-CG 4.17Å; I15-L160 HydrophobicContact CG1-CD2 4.43Å
16R88Confident77.3Confident40 Ų4056.8 Ų56.815%0.15131%0.31CS..EExtended strand (participates in β ladder)trans-134.8148.6170.970.1-179.9-172.5-168.62.2112E34 A115 F132R16-E34 HydrophobicContact CG-CB 4.02Å; R16-E34 IonicContact CZ-OE2 3.59Å; R16-E34 PolarHBondContact N-O 3.4Å; R16-E34 IonicContact NE-OE2 2.69Å; R16-E34 PolarHBondContact NE-OE2 3.37Å; R16-E34 IonicContact NH2-OE2 3.3Å; R16-E34 PolarHBondContact NH2-OE2 3.47Å; R16-E34 PolarHBondContact O-N 3.26Å; R16-A115 HydrophobicContact CB-CB 4.46Å; R16-A115 WeakPolarHBondContact CB-O 3.5Å; R16-F132 HydrophobicContact CB-CE1 4.5Å; R16-F132 HydrophobicContact CG-CD1 4.07Å; R16-F132 HydrophobicContact CG-CE1 3.79Å; R16-F132 HydrophobicContact CG-CZ 4.29Å; R16-F132 VanDerWaalsContact NH1-CD2 3.29Å; R16-F132 VanDerWaalsContact NH1-CE2 3.29Å
17P86.1Confident79Confident24 Ų2454.5 Ų54.516%0.15629%0.294CS..EExtended strand (participates in β ladder)trans-75.9148.417032.9-33.5000110.2A21 L23 S32 F178P17-A21 HydrophobicContact CB-CB 4.34Å; P17-L23 HydrophobicContact CB-CD2 3.85Å; P17-L23 HydrophobicContact CG-CD2 4.09Å; P17-S32 CarbonylContact C-O 3.59Å; P17-S32 WeakPolarHBondContact CA-O 3.32Å; P17-F178 HydrophobicContact CG-CE1 4.43Å
18K81Confident80.5Confident61 Ų6152 Ų5227%0.26528%0.279SS..  trans-71.2149.3165-69.4-168-178.4170.70109.9T20 A21 K31 S32 E34 C134K18-T20 PolarHBondContact O-N 2.9Å; K18-A21 VanDerWaalsContact O-CB 3.3Å; K18-A21 WeakPolarHBondContact O-CB 3.34Å; K18-A21 PolarHBondContact O-N 3.45Å; K18-K31 WeakPolarHBondContact CD-O 3.29Å; K18-K31 WeakPolarHBondContact CE-O 3.36Å; K18-K31 PolarHBondContact NZ-O 2.79Å; K18-S32 PolarHBondContact N-O 2.82Å; K18-E34 HydrophobicContact CD-CG 4.41Å; K18-E34 WeakPolarHBondContact CE-OE1 3.26Å; K18-E34 HydrophobicContact CG-CG 3.86Å; K18-C134 PolarHBondContact NZ-SG 3.39Å
19N65.8Low81.5Confident111 Ų11155.6 Ų55.659%0.59428%0.282SS*.THydrogen-bonded Turntrans-55.9-20.8-172.8-575.9000114.9D119N19-D119 VanDerWaalsContact CG-CG 3.45Å; N19-D119 PolarHBondContact ND2-OD1 3.09Å; N19-D119 PolarHBondContact ND2-OD2 3.25Å; N19-D119 PolarHBondContact OD1-OD1 2.96Å
20T62.8Low81.8Confident140 Ų14055.9 Ų55.986%0.85929%0.286SS*.THydrogen-bonded Turntrans-95.5-1.7178.853.90000114.1K18K18-T20 PolarHBondContact O-N 2.9Å
21A68.2Low81.8Confident25 Ų2560.6 Ų60.621%0.20731%0.306CS..  trans-85.8119.8-176.300000111.9P17 K18 L23P17-A21 HydrophobicContact CB-CB 4.34Å; K18-A21 VanDerWaalsContact O-CB 3.3Å; K18-A21 WeakPolarHBondContact O-CB 3.34Å; K18-A21 PolarHBondContact O-N 3.45Å; A21-L23 PolarHBondContact O-N 3.03Å
22S75.4Confident81.6Confident79 Ų7961 Ų6155%0.55231%0.312SS*.  trans-74.3112.9168.9178.80000110.1N24 S25S22-N24 PolarHBondContact O-N 3.14Å; S22-N24 PolarHBondContact OG-N 3.48Å; S22-S25 WeakPolarHBondContact O-CB 3.43Å; S22-S25 PolarHBondContact O-N 2.7Å
23L72.7Confident81.6Confident49 Ų4961.2 Ų61.226%0.25731%0.313SS..THydrogen-bonded Turntrans-64.3-16.3174.6-65.2177.6000112.8P17 A21 I174 P175 F178P17-L23 HydrophobicContact CB-CD2 3.85Å; P17-L23 HydrophobicContact CG-CD2 4.09Å; A21-L23 PolarHBondContact O-N 3.03Å; L23-I174 HydrophobicContact CB-CG2 4.31Å; L23-I174 HydrophobicContact CD2-CG2 3.86Å; L23-P175 WeakPolarHBondContact O-CD 3.46Å; L23-P175 VanDerWaalsContact O-CG 3.23Å; L23-P175 WeakPolarHBondContact O-CG 3.45Å; L23-F178 HydrophobicContact CD1-CB 4.05Å; L23-F178 HydrophobicContact CD1-CD2 3.95Å; L23-F178 HydrophobicContact CD1-CG 4.14Å; L23-F178 HydrophobicContact CD2-CD2 3.64Å; L23-F178 HydrophobicContact CD2-CE2 3.74Å; L23-F178 HydrophobicContact CD2-CG 4.48Å; L23-F178 HydrophobicContact CG-CD2 4.44Å
24N75.9Confident81.5Confident119 Ų11963 Ų6364%0.63632%0.321SS*.THydrogen-bonded Turntrans-87.9-2.6178.6-67.5-34.2000113.5S22 P175S22-N24 PolarHBondContact O-N 3.14Å; S22-N24 PolarHBondContact OG-N 3.48Å; N24-P175 VanDerWaalsContact OD1-CG 3.24Å; N24-P175 WeakPolarHBondContact OD1-CG 3.37Å
25S77.1Confident81.5Confident47 Ų4763 Ų6333%0.32932%0.321SS..  trans-67.3133.2178.4-179.10000111.6S22 E27 H168S22-S25 WeakPolarHBondContact O-CB 3.43Å; S22-S25 PolarHBondContact O-N 2.7Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.47Å; S25-E27 VanDerWaalsContact OG-N 3.13Å; S25-E27 PolarHBondContact OG-O 3.19Å; S25-H168 PolarHBondContact O-CE1 3.44Å; S25-H168 PolarHBondContact O-ND1 2.95Å
26R75.9Confident81.5Confident182 Ų18263 Ų6369%0.68732%0.321SS*.SBendtrans-81.5-15.6168.8-67.2-173.9177.7-177.4-1.9112.9S171R26-S171 PolarHBondContact NH2-OG 3.01Å
27E81.8Confident81.6Confident110 Ų11061 Ų6151%0.51431%0.314SS..SBendtrans-84.7117.3177.3-165.3-167.4146.800109.6S25 R29S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.47Å; S25-E27 VanDerWaalsContact OG-N 3.13Å; S25-E27 PolarHBondContact OG-O 3.19Å; E27-R29 VanDerWaalsContact CD-NH2 3.26Å; E27-R29 IonicContact OE1-CZ 3.17Å; E27-R29 VanDerWaalsContact OE1-CZ 3.25Å; E27-R29 IonicContact OE1-NE 3.3Å; E27-R29 PolarHBondContact OE1-NE 3.33Å; E27-R29 IonicContact OE1-NH2 3.9Å; E27-R29 PolarHBondContact OE1-NH2 2.92Å; E27-R29 IonicContact OE2-CZ 3.02Å; E27-R29 IonicContact OE2-NE 3.9Å; E27-R29 IonicContact OE2-NH2 3.92Å; E27-R29 PolarHBondContact OE2-NH2 3Å
28Y88.1Confident81.7Confident38 Ų3862 Ų6215%0.14932%0.317CS..  trans-73.1133.7175175.6-122.5000111.3A30 Y33 L135 D161 L164 D165 H168Y28-A30 HydrophobicContact CE1-CB 4.43Å; Y28-Y33 HydrophobicContact CD2-CE2 4.2Å; Y28-Y33 HydrophobicContact CE2-CD2 4.05Å; Y28-Y33 AromaticContact CE2-CE2 3.89Å; Y28-Y33 HydrophobicContact CE2-CE2 3.89Å; Y28-L135 WeakPolarHBondContact OH-CD2 3.36Å; Y28-D161 PolarHBondContact OH-OD1 3.32Å; Y28-L164 HydrophobicContact CD2-CB 4.32Å; Y28-L164 HydrophobicContact CE2-CB 3.65Å; Y28-D165 WeakPolarHBondContact CB-OD1 3.46Å; Y28-D165 HydrophobicContact CD1-CB 3.46Å; Y28-D165 VanDerWaalsContact CD1-CB 3.46Å; Y28-D165 WeakPolarHBondContact CD1-OD1 3.48Å; Y28-D165 HydrophobicContact CE1-CB 3.88Å; Y28-D165 HydrophobicContact CG-CB 3.89Å; Y28-H168 AromaticContact CD2-CD2 3.49Å; Y28-H168 VanDerWaalsContact CD2-CD2 3.49Å; Y28-H168 WeakPolarHBondContact CD2-CD2 3.28Å; Y28-H168 AromaticContact CD2-NE2 3.91Å
29R87.8Confident81.9Confident109 Ų10961.2 Ų61.241%0.41132%0.315SS..  trans-141.8109.2174-65.6-178.7176.2177.53.9109.4E27 K31 S32E27-R29 VanDerWaalsContact CD-NH2 3.26Å; E27-R29 IonicContact OE1-CZ 3.17Å; E27-R29 VanDerWaalsContact OE1-CZ 3.25Å; E27-R29 IonicContact OE1-NE 3.3Å; E27-R29 PolarHBondContact OE1-NE 3.33Å; E27-R29 IonicContact OE1-NH2 3.9Å; E27-R29 PolarHBondContact OE1-NH2 2.92Å; E27-R29 IonicContact OE2-CZ 3.02Å; E27-R29 IonicContact OE2-NE 3.9Å; E27-R29 IonicContact OE2-NH2 3.92Å; E27-R29 PolarHBondContact OE2-NH2 3Å; R29-K31 HydrophobicContact CB-CG 4.16Å; R29-K31 PolarHBondContact O-N 2.91Å; R29-S32 WeakPolarHBondContact O-CB 3.32Å; R29-S32 PolarHBondContact O-N 3.27Å; R29-S32 PolarHBondContact O-OG 3.4Å
30A86.8Confident82.8Confident18 Ų1858.3 Ų58.315%0.14930%0.301CS..G310 helixtrans-52.4-32.8177.300000113.4Y28 S32 Y33 L135 Q136Y28-A30 HydrophobicContact CE1-CB 4.43Å; A30-S32 PolarHBondContact O-N 3.23Å; A30-S32 VanDerWaalsContact O-N 3.08Å; A30-Y33 PolarHBondContact O-N 3.21Å; A30-L135 HydrophobicContact CB-CD2 4.41Å; A30-L135 HydrophobicContact CB-CG 4.14Å; A30-L135 WeakPolarHBondContact O-CB 3.19Å; A30-Q136 HydrophobicContact CB-CB 4.18Å
31K88.1Confident83.6Confident101 Ų10155.2 Ų55.244%0.43928%0.283SS..G310 helixtrans-61.7-18178.168.4179.3174.9-179.10114.7K18 R29 Y33 Q136K18-K31 WeakPolarHBondContact CD-O 3.29Å; K18-K31 WeakPolarHBondContact CE-O 3.36Å; K18-K31 PolarHBondContact NZ-O 2.79Å; R29-K31 HydrophobicContact CB-CG 4.16Å; R29-K31 PolarHBondContact O-N 2.91Å; K31-Y33 VanDerWaalsContact C-N 3.29Å; K31-Q136 HydrophobicContact CB-CB 4.11Å; K31-Q136 VanDerWaalsContact CB-OE1 3.31Å
32S87.7Confident84.1Confident27 Ų2756.1 Ų56.119%0.18928%0.284CS..G310 helixtrans-79.5-10.9-178.8-590000113.2P17 K18 R29 A30P17-S32 CarbonylContact C-O 3.59Å; P17-S32 WeakPolarHBondContact CA-O 3.32Å; K18-S32 PolarHBondContact N-O 2.82Å; R29-S32 WeakPolarHBondContact O-CB 3.32Å; R29-S32 PolarHBondContact O-N 3.27Å; R29-S32 PolarHBondContact O-OG 3.4Å; A30-S32 PolarHBondContact O-N 3.23Å; A30-S32 VanDerWaalsContact O-N 3.08Å
33Y89.9Confident83.7Confident5 Ų561.4 Ų61.42%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-119.1146.8-173.9-64.6-74.2000112.2I15 Y28 A30 K31 L135 L164 H168 I174 F178I15-Y33 HydrophobicContact CG2-CD1 3.95Å; Y28-Y33 HydrophobicContact CD2-CE2 4.2Å; Y28-Y33 HydrophobicContact CE2-CD2 4.05Å; Y28-Y33 AromaticContact CE2-CE2 3.89Å; Y28-Y33 HydrophobicContact CE2-CE2 3.89Å; A30-Y33 PolarHBondContact O-N 3.21Å; K31-Y33 VanDerWaalsContact C-N 3.29Å; Y33-L135 PolarHBondContact O-N 3.11Å; Y33-L164 HydrophobicContact CD2-CD1 4.26Å; Y33-L164 HydrophobicContact CG-CD1 4.32Å; Y33-H168 AromaticContact CE2-NE2 3.54Å; Y33-H168 AromaticContact CZ-NE2 3.5Å; Y33-H168 PolarHBondContact OH-CE1 3.34Å; Y33-H168 PolarHBondContact OH-NE2 2.93Å; Y33-I174 WeakPolarHBondContact OH-CG2 3.36Å; Y33-F178 HydrophobicContact CE1-CE2 4.27Å; Y33-F178 HydrophobicContact CE1-CZ 4.33Å
34E90.7Very high83.2Confident37 Ų3763.2 Ų63.217%0.17333%0.33CS..EExtended strand (participates in β ladder)trans-122.9138.5169.9-60.5-176.9142.200110.1I15 R16 K18 F132 Y133I15-E34 WeakPolarHBondContact CA-O 3.47Å; R16-E34 HydrophobicContact CG-CB 4.02Å; R16-E34 IonicContact CZ-OE2 3.59Å; R16-E34 PolarHBondContact N-O 3.4Å; R16-E34 IonicContact NE-OE2 2.69Å; R16-E34 PolarHBondContact NE-OE2 3.37Å; R16-E34 IonicContact NH2-OE2 3.3Å; R16-E34 PolarHBondContact NH2-OE2 3.47Å; R16-E34 PolarHBondContact O-N 3.26Å; K18-E34 HydrophobicContact CD-CG 4.41Å; K18-E34 WeakPolarHBondContact CE-OE1 3.26Å; K18-E34 HydrophobicContact CG-CG 3.86Å; E34-F132 HydrophobicContact CB-CB 4.21Å; E34-F132 HydrophobicContact CB-CD1 3.95Å; E34-F132 HydrophobicContact CB-CG 4.45Å; E34-Y133 CarbonylContact C-O 3.6Å; E34-Y133 VanDerWaalsContact CA-O 3.26Å; E34-Y133 WeakPolarHBondContact CA-O 3.49Å
35I91.4Very high82.8Confident0 Ų061.9 Ų61.90%032%0.32CS..EExtended strand (participates in β ladder)trans-117.7134.4179.6-56.5-173.7000109.2I15 L37 L53 F132 Y133 L135 I138 L157 L160I15-I35 HydrophobicContact CG1-CG1 4.48Å; I35-L37 HydrophobicContact CG2-CD2 4.27Å; I35-L37 HydrophobicContact CG2-CG 4.46Å; I35-L53 HydrophobicContact CG2-CD2 4.3Å; I35-F132 WeakPolarHBondContact O-CA 3.39Å; I35-Y133 PolarHBondContact N-O 2.89Å; I35-Y133 PolarHBondContact O-N 3.42Å; I35-L135 HydrophobicContact CD1-CD1 3.68Å; I35-L135 HydrophobicContact CD1-CD2 4.43Å; I35-L135 HydrophobicContact CD1-CG 4.43Å; I35-I138 HydrophobicContact CB-CD1 4.08Å; I35-I138 HydrophobicContact CD1-CD1 4.49Å; I35-L157 HydrophobicContact CD1-CD2 3.81Å; I35-L157 HydrophobicContact CG2-CD2 4.18Å; I35-L160 HydrophobicContact CD1-CD2 3.5Å; I35-L160 VanDerWaalsContact CD1-CD2 3.5Å; I35-L160 HydrophobicContact CD1-CG 4.48Å
36L90Very high81.9Confident0 Ų069.4 Ų69.40%035%0.347CS..EExtended strand (participates in β ladder)trans-79124.1174.7-164.675.1000111V14 L54 T76 I79 P130 V131 F132V14-L36 HydrophobicContact CB-CB 3.85Å; V14-L36 HydrophobicContact CB-CD2 4.16Å; V14-L36 HydrophobicContact CG2-CD2 4.16Å; V14-L36 PolarHBondContact O-N 3.45Å; V14-L36 VanDerWaalsContact O-N 3.07Å; L36-L54 HydrophobicContact CD2-CD1 4.04Å; L36-T76 HydrophobicContact CD2-CG2 3.54Å; L36-I79 HydrophobicContact CD1-CD1 4.01Å; L36-P130 HydrophobicContact CD1-CB 3.86Å; L36-P130 HydrophobicContact CD2-CB 3.76Å; L36-P130 HydrophobicContact CG-CB 3.64Å; L36-V131 WeakPolarHBondContact CA-O 3.38Å; L36-F132 HydrophobicContact CB-CD1 4.1Å; L36-F132 HydrophobicContact CB-CE1 3.85Å; L36-F132 HydrophobicContact CB-CZ 4.2Å; L36-F132 HydrophobicContact CD1-CD1 4.2Å; L36-F132 HydrophobicContact CD1-CD2 3.65Å; L36-F132 HydrophobicContact CD1-CE1 4.2Å; L36-F132 HydrophobicContact CD1-CE2 3.66Å; L36-F132 HydrophobicContact CD1-CG 3.94Å; L36-F132 HydrophobicContact CD1-CZ 3.93Å
37L89.9Confident81.3Confident0 Ų070.5 Ų70.50%036%0.356CS..EExtended strand (participates in β ladder)trans-128.5150.4177.6-62.4174.4000111I35 K51 L53 P130 V131 Y133 I138 F149 L157I35-L37 HydrophobicContact CG2-CD2 4.27Å; I35-L37 HydrophobicContact CG2-CG 4.46Å; L37-K51 HydrophobicContact CB-CB 4.43Å; L37-K51 HydrophobicContact CD1-CB 4.18Å; L37-K51 HydrophobicContact CD1-CD 4.17Å; L37-L53 HydrophobicContact CD2-CD2 3.87Å; L37-L53 HydrophobicContact CD2-CG 4.13Å; L37-P130 CarbonylContact O-C 3.58Å; L37-P130 VanDerWaalsContact O-CA 3.31Å; L37-P130 WeakPolarHBondContact O-CA 3.46Å; L37-V131 PolarHBondContact N-O 3.28Å; L37-V131 PolarHBondContact O-N 2.93Å; L37-Y133 HydrophobicContact CB-CD2 3.87Å; L37-Y133 HydrophobicContact CB-CE2 3.9Å; L37-Y133 HydrophobicContact CD1-CD2 3.91Å; L37-Y133 HydrophobicContact CD1-CE2 4.49Å; L37-Y133 HydrophobicContact CG-CD2 4.15Å; L37-I138 HydrophobicContact CD1-CD1 3.93Å; L37-I138 HydrophobicContact CD1-CG1 4.4Å; L37-F149 HydrophobicContact CD1-CE1 3.88Å; L37-L157 HydrophobicContact CD1-CD1 4.49Å; L37-L157 HydrophobicContact CD2-CD1 4.25Å; L37-L157 HydrophobicContact CD2-CD2 4.38Å
38L88.5Confident80.8Confident45 Ų4571 Ų7124%0.23636%0.357CS..EExtended strand (participates in β ladder)trans-103.1135.9175.8-177.966.7000110.5V40 K51 V52 L54 G128 P130L38-V40 HydrophobicContact CD2-CG2 4.1Å; L38-V40 HydrophobicContact CG-CG2 4.11Å; L38-K51 CarbonylContact O-C 3.54Å; L38-K51 WeakPolarHBondContact O-CA 3.47Å; L38-V52 HydrophobicContact CB-CG2 3.98Å; L38-V52 HydrophobicContact CD2-CG2 4.42Å; L38-V52 HydrophobicContact CG-CG2 4.46Å; L38-V52 PolarHBondContact N-O 3.09Å; L38-V52 PolarHBondContact O-N 3.31Å; L38-L54 HydrophobicContact CB-CD2 4.3Å; L38-G128 WeakPolarHBondContact CD1-O 3.32Å; L38-P130 HydrophobicContact CD1-CG 4.15Å
39E86.3Confident80.4Confident44 Ų4474.6 Ų74.621%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-95118175.3-69.4-173.3166.600111.3R49 K51 Y125 Y133E39-R49 HydrophobicContact CB-CB 4.45Å; E39-K51 HydrophobicContact CG-CG 4.08Å; E39-Y125 PolarHBondContact OE2-OH 3Å; E39-Y133 PolarHBondContact OE1-OH 2.89Å
40V83.6Confident80.3Confident50 Ų5073 Ų7330%0.30337%0.366SS..EExtended strand (participates in β ladder)trans-117.2140.1-176.7-178.60000110.2L38 R49 K50 V52L38-V40 HydrophobicContact CD2-CG2 4.1Å; L38-V40 HydrophobicContact CG-CG2 4.11Å; V40-R49 CarbonylContact O-C 3.58Å; V40-R49 VanDerWaalsContact O-CA 3.3Å; V40-R49 WeakPolarHBondContact O-CA 3.18Å; V40-K50 PolarHBondContact N-O 3.45Å; V40-K50 PolarHBondContact O-N 3.45Å; V40-V52 HydrophobicContact CG2-CG2 3.66Å
41P80Confident80.4Confident74 Ų7474.4 Ų74.448%0.48137%0.369SS..EExtended strand (participates in β ladder)trans-57.1141.9173.223-33.5000112.7
42I77.9Confident80.4Confident45 Ų4570.8 Ų70.823%0.23136%0.355CS..EExtended strand (participates in β ladder)trans-81.8127.3169.7-66.1162.9000108G44 Q45 K48 K50I42-G44 PolarHBondContact O-N 3.13Å; I42-Q45 PolarHBondContact O-N 3.39Å; I42-K48 HydrophobicContact CD1-CB 3.77Å; I42-K48 PolarHBondContact N-O 2.86Å; I42-K48 VanDerWaalsContact N-O 3.15Å; I42-K50 HydrophobicContact CD1-CB 4.24Å; I42-K50 HydrophobicContact CG1-CB 3.99Å; I42-K50 HydrophobicContact CG1-CD 4.22Å; I42-K50 HydrophobicContact CG1-CG 4.04Å
43E68.4Low80.6Confident190 Ų19069.6 Ų69.689%0.88835%0.347SS*.THydrogen-bonded Turntrans-53.1129.3176.2-75.4-179.4161.800110.6Q45E43-Q45 VanDerWaalsContact C-N 3.35Å; E43-Q45 PolarHBondContact O-N 3Å
44G61.3Low80.6Confident86 Ų8669.5 Ų69.589%0.88735%0.347SS*.THydrogen-bonded Turntrans82.1-7.1-177.900000116.5I42I42-G44 PolarHBondContact O-N 3.13Å
45Q67.3Low80.5Confident91 Ų9172.2 Ų72.243%0.42536%0.359SS..EExtended strand (participates in β ladder)trans-128.293.5178.7-64.5-170.11400112.6I42 E43 K47 K48I42-Q45 PolarHBondContact O-N 3.39Å; E43-Q45 VanDerWaalsContact C-N 3.35Å; E43-Q45 PolarHBondContact O-N 3Å; Q45-K47 PolarHBondContact O-N 2.65Å; Q45-K48 HydrophobicContact CB-CB 4.24Å; Q45-K48 HydrophobicContact CB-CG 4.42Å; Q45-K48 PolarHBondContact O-N 2.83Å; Q45-K48 VanDerWaalsContact O-N 3.15Å
46K58.6Low80.3Confident205 Ų20573.3 Ų73.389%0.89137%0.366SS*.EExtended strand (participates in β ladder)trans-52.3-32-173.9-70.5-173.5177.7-179.10115.1R49K46-R49 PolarHBondContact O-NH1 3.45Å; K46-R49 VanDerWaalsContact O-NH1 3.14Å
47K62.8Low80Confident205 Ų20579.9 Ų79.989%0.89140%0.395SS*.EExtended strand (participates in β ladder)trans-98.3-11.6-175.9-70.2-172177.9-178.20115.3Q45Q45-K47 PolarHBondContact O-N 2.65Å
48K72.4Confident79.2Confident120 Ų12080.4 Ų80.452%0.52240%0.398SS..EExtended strand (participates in β ladder)trans-98.4141.5-179.5-59.4-156.8-164.1160.70111.1I42 Q45I42-K48 HydrophobicContact CD1-CB 3.77Å; I42-K48 PolarHBondContact N-O 2.86Å; I42-K48 VanDerWaalsContact N-O 3.15Å; Q45-K48 HydrophobicContact CB-CB 4.24Å; Q45-K48 HydrophobicContact CB-CG 4.42Å; Q45-K48 PolarHBondContact O-N 2.83Å; Q45-K48 VanDerWaalsContact O-N 3.15Å
49R78.6Confident78.1Confident115 Ų11584.4 Ų84.443%0.43442%0.415SS..EExtended strand (participates in β ladder)trans-124.6143.5179.6-64.7-74.2-177.7-87.43108.4E39 V40 K46E39-R49 HydrophobicContact CB-CB 4.45Å; V40-R49 CarbonylContact O-C 3.58Å; V40-R49 VanDerWaalsContact O-CA 3.3Å; V40-R49 WeakPolarHBondContact O-CA 3.18Å; K46-R49 PolarHBondContact O-NH1 3.45Å; K46-R49 VanDerWaalsContact O-NH1 3.14Å
50K85.6Confident76.6Confident75 Ų7585.6 Ų85.633%0.32644%0.439SS..EExtended strand (participates in β ladder)trans-114.6149.5170.163.9179.4179.9-177.50109.6V40 I42 H148 A150V40-K50 PolarHBondContact N-O 3.45Å; V40-K50 PolarHBondContact O-N 3.45Å; I42-K50 HydrophobicContact CD1-CB 4.24Å; I42-K50 HydrophobicContact CG1-CB 3.99Å; I42-K50 HydrophobicContact CG1-CD 4.22Å; I42-K50 HydrophobicContact CG1-CG 4.04Å; K50-H148 WeakPolarHBondContact CA-O 3.27Å; K50-A150 HydrophobicContact CD-CB 4.48Å
51K88.4Confident75.2Confident48 Ų4885.5 Ų85.521%0.20945%0.449CS..EExtended strand (participates in β ladder)trans-92.3135.1177.5-67.1173.4-173.1172.30110.5L37 L38 E39 Y133 H148 F149 A150L37-K51 HydrophobicContact CB-CB 4.43Å; L37-K51 HydrophobicContact CD1-CB 4.18Å; L37-K51 HydrophobicContact CD1-CD 4.17Å; L38-K51 CarbonylContact O-C 3.54Å; L38-K51 WeakPolarHBondContact O-CA 3.47Å; E39-K51 HydrophobicContact CG-CG 4.08Å; K51-Y133 HydrophobicContact CD-CE1 4.39Å; K51-Y133 HydrophobicContact CD-CE2 4.27Å; K51-H148 PolarHBondContact N-O 3.35Å; K51-F149 HydrophobicContact CB-CD1 3.71Å; K51-F149 HydrophobicContact CB-CE1 3.84Å; K51-F149 HydrophobicContact CD-CE1 3.91Å; K51-F149 HydrophobicContact CD-CZ 4.28Å; K51-F149 HydrophobicContact CG-CE1 4.5Å; K51-F149 WeakPolarHBondContact O-CA 3.39Å; K51-A150 PolarHBondContact O-N 3.09Å
52V90.1Very high73.8Confident25 Ų2589.4 Ų89.415%0.15247%0.471CS..EExtended strand (participates in β ladder)trans-131.1151.5178.3-57.90000110.5L38 V40 A150L38-V52 HydrophobicContact CB-CG2 3.98Å; L38-V52 HydrophobicContact CD2-CG2 4.42Å; L38-V52 HydrophobicContact CG-CG2 4.46Å; L38-V52 PolarHBondContact N-O 3.09Å; L38-V52 PolarHBondContact O-N 3.31Å; V40-V52 HydrophobicContact CG2-CG2 3.66Å; V52-A150 HydrophobicContact CG1-CB 3.82Å
53L91.1Very high73.2Confident1 Ų194.5 Ų94.51%0.00549%0.494CS..  trans-68.6160.4165.3-77.4163000109.9Y11 A13 I35 L37 E55 L110 T153 M156 L157Y11-L53 HydrophobicContact CD1-CB 4.22Å; A13-L53 HydrophobicContact CB-CD2 4.07Å; I35-L53 HydrophobicContact CG2-CD2 4.3Å; L37-L53 HydrophobicContact CD2-CD2 3.87Å; L37-L53 HydrophobicContact CD2-CG 4.13Å; L53-E55 PolarHBondContact O-N 3.38Å; L53-L110 HydrophobicContact CD1-CD1 3.87Å; L53-T153 HydrophobicContact CB-CG2 4.45Å; L53-T153 HydrophobicContact CD1-CG2 4.25Å; L53-T153 HydrophobicContact CG-CG2 3.94Å; L53-T153 PolarHBondContact N-OG1 3.27Å; L53-M156 HydrophobicContact CD1-CB 3.71Å; L53-M156 HydrophobicContact CD1-SD 4.06Å; L53-L157 HydrophobicContact CD1-CG 4.49Å; L53-L157 HydrophobicContact CD2-CD2 4.24Å
54L89.8Confident73.6Confident4 Ų487.8 Ų87.82%0.02146%0.464CS..EExtended strand (participates in β ladder)trans-67.5131.6174.5-59.9178.8000109.6Y11 V12 V14 L36 L38 Y71 P130Y11-L54 CarbonylContact C-O 3.59Å; Y11-L54 VanDerWaalsContact CA-O 3.32Å; Y11-L54 WeakPolarHBondContact CA-O 3.49Å; V12-L54 HydrophobicContact CB-CB 4.32Å; V12-L54 PolarHBondContact N-O 3.42Å; V14-L54 HydrophobicContact CG2-CD1 4.13Å; L36-L54 HydrophobicContact CD2-CD1 4.04Å; L38-L54 HydrophobicContact CB-CD2 4.3Å; L54-Y71 HydrophobicContact CB-CE1 3.92Å; L54-Y71 HydrophobicContact CD1-CE1 4.43Å; L54-P130 HydrophobicContact CD2-CB 4.31Å; L54-P130 HydrophobicContact CD2-CG 3.98Å
55E88.9Confident74.4Confident93 Ų9387.3 Ų87.344%0.43544%0.444SS..EExtended strand (participates in β ladder)trans-116.6130.9-176.3-174176.8156.100110.3Y11 L53 Y71Y11-E55 HydrophobicContact CD1-CB 4.1Å; Y11-E55 HydrophobicContact CD1-CG 4.27Å; Y11-E55 HydrophobicContact CE1-CB 3.8Å; Y11-E55 HydrophobicContact CE1-CG 3.71Å; Y11-E55 WeakPolarHBondContact CE1-OE2 3.38Å; Y11-E55 VanDerWaalsContact OH-CD 3.23Å; Y11-E55 PolarHBondContact OH-OE2 2.92Å; L53-E55 PolarHBondContact O-N 3.38Å; E55-Y71 PolarHBondContact N-OH 3.17Å; E55-Y71 PolarHBondContact O-OH 2.8Å
56T87.3Confident75.1Confident23 Ų2388 Ų8814%0.14145%0.447CS..EExtended strand (participates in β ladder)trans-141.2163.9176.8-168.70000110.8A10 V12 V58 Y71A10-T56 WeakPolarHBondContact CA-O 3.24Å; A10-T56 HydrophobicContact CB-CG2 3.94Å; A10-T56 PolarHBondContact N-O 2.91Å; A10-T56 PolarHBondContact O-N 3.48Å; V12-T56 HydrophobicContact CG2-CG2 4.26Å; T56-V58 HydrophobicContact CG2-CG2 4.15Å; T56-Y71 HydrophobicContact CG2-CD1 4.23Å; T56-Y71 HydrophobicContact CG2-CE1 4.48Å; T56-Y71 HydrophobicContact CG2-CG 4.38Å
57K82.9Confident76.3Confident139 Ų13980.7 Ų80.760%0.60442%0.422SS*.EExtended strand (participates in β ladder)trans-109.8133.5175.8-73.3-175.7178.7-175.70109.3I7I7-K57 HydrophobicContact CG2-CB 3.83Å; I7-K57 HydrophobicContact CG2-CD 4.19Å; I7-K57 HydrophobicContact CG2-CG 4.27Å
58V73.9Confident77.5Confident11 Ų1170.9 Ų70.97%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-121.8129.3-175.2-178.40000109.8G8 A10 T56 I64 I68G8-V58 PolarHBondContact N-O 3.35Å; G8-V58 PolarHBondContact O-N 3.25Å; A10-V58 HydrophobicContact CB-CB 4.4Å; A10-V58 HydrophobicContact CB-CG2 3.52Å; T56-V58 HydrophobicContact CG2-CG2 4.15Å; V58-I64 HydrophobicContact CG1-CB 3.96Å; V58-I64 HydrophobicContact CG1-CD1 4.14Å; V58-I64 HydrophobicContact CG1-CG1 3.52Å; V58-I64 HydrophobicContact CG1-CG2 3.67Å; V58-I68 HydrophobicContact CG2-CD1 4.38Å; V58-I68 HydrophobicContact CG2-CG1 4.17Å
59Q65Low78.1Confident128 Ų12866.1 Ų66.160%0.59836%0.359SS*.  trans-87.2139.5173.1-72.6174-8.900110.2I7 G61I7-Q59 HydrophobicContact CG1-CG 4.13Å; Q59-G61 PolarHBondContact O-N 3.04Å
60G54Low78.4Confident69 Ų6964.1 Ų64.171%0.71136%0.357SS*.SBendtrans-69.1119.9-177.200000112.8
61G55.3Low78.6Confident49 Ų4963.7 Ų63.751%0.50535%0.354SS..SBendtrans170.5179.9177.600000112.7Q59 E63 I64Q59-G61 PolarHBondContact O-N 3.04Å; G61-E63 PolarHBondContact O-N 3.47Å; G61-I64 WeakPolarHBondContact O-CG1 3.44Å
62T49.3Very low78.5Confident156 Ų15661.4 Ų61.496%0.95734%0.344SS*.THydrogen-bonded Turntrans-64.7-0.4179.827.90000115.2
63E65.4Low78.4Confident152 Ų15262 Ų6271%0.7135%0.346SS*.THydrogen-bonded Turntrans-107.13.3-171.8-66.3-175.4163.500115.1G61 T65 Q66 S67G61-E63 PolarHBondContact O-N 3.47Å; E63-T65 VanDerWaalsContact C-N 3.33Å; E63-T65 PolarHBondContact O-N 3.09Å; E63-Q66 PolarHBondContact O-N 3.44Å; E63-S67 PolarHBondContact O-N 3.48Å
64I77.6Confident78.1Confident48 Ų4867 Ų6725%0.24637%0.37CS..Hα-helixtrans-55.1-44.4-175.6-65175.4000112.8V58 G61 S67 I68 Y111V58-I64 HydrophobicContact CG1-CB 3.96Å; V58-I64 HydrophobicContact CG1-CD1 4.14Å; V58-I64 HydrophobicContact CG1-CG1 3.52Å; V58-I64 HydrophobicContact CG1-CG2 3.67Å; G61-I64 WeakPolarHBondContact O-CG1 3.44Å; I64-S67 PolarHBondContact O-N 2.85Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 WeakPolarHBondContact O-CG1 3.38Å; I64-I68 PolarHBondContact O-N 3.48Å; I64-I68 VanDerWaalsContact O-N 3.1Å; I64-Y111 HydrophobicContact CG2-CE1 4.42Å
65T79Confident77.9Confident76 Ų7668.1 Ų68.147%0.46638%0.379SS..Hα-helixtrans-63.2-44.3-178.7-57.80000111.6E63 L69 V91E63-T65 VanDerWaalsContact C-N 3.33Å; E63-T65 PolarHBondContact O-N 3.09Å; T65-L69 HydrophobicContact CG2-CD1 4.38Å; T65-L69 WeakPolarHBondContact O-CG 3.08Å; T65-L69 PolarHBondContact O-N 3.45Å; T65-V91 HydrophobicContact CG2-CB 4.04Å; T65-V91 HydrophobicContact CG2-CG2 3.85Å
66Q81.5Confident77.7Confident106 Ų10663.7 Ų63.750%0.49536%0.358SS..Hα-helixtrans-68.6-43.4-178.8-171.557.83900110.7E63 I68 L69 D70E63-Q66 PolarHBondContact O-N 3.44Å; Q66-I68 VanDerWaalsContact C-N 3.34Å; Q66-I68 PolarHBondContact O-N 3.43Å; Q66-L69 PolarHBondContact O-N 2.72Å; Q66-L69 VanDerWaalsContact O-N 3.15Å; Q66-D70 PolarHBondContact NE2-OD1 2.94Å; Q66-D70 PolarHBondContact NE2-OD2 2.98Å; Q66-D70 VanDerWaalsContact NE2-OD2 3.15Å; Q66-D70 VanDerWaalsContact O-CG 3.31Å; Q66-D70 PolarHBondContact O-N 3.31Å
67S84.1Confident77.5Confident51 Ų5165.7 Ų65.736%0.35737%0.365SS..Hα-helixtrans-56.3-44.3176.4-179.30000112.9E63 I64 Y71E63-S67 PolarHBondContact O-N 3.48Å; I64-S67 PolarHBondContact O-N 2.85Å; S67-Y71 WeakPolarHBondContact O-CB 3.41Å; S67-Y71 PolarHBondContact O-N 2.82Å
68I86.4Confident77.3Confident0 Ų062.5 Ų62.50%036%0.358CS..Hα-helixtrans-67.8-39.4178-69167.2000111.5V12 V58 I64 Q66 Y71 V72 V91 Y111 V113V12-I68 HydrophobicContact CG1-CG2 4.21Å; V12-I68 HydrophobicContact CG2-CG2 3.92Å; V58-I68 HydrophobicContact CG2-CD1 4.38Å; V58-I68 HydrophobicContact CG2-CG1 4.17Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 WeakPolarHBondContact O-CG1 3.38Å; I64-I68 PolarHBondContact O-N 3.48Å; I64-I68 VanDerWaalsContact O-N 3.1Å; Q66-I68 VanDerWaalsContact C-N 3.34Å; Q66-I68 PolarHBondContact O-N 3.43Å; I68-Y71 PolarHBondContact O-N 3.05Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.09Å; I68-V91 HydrophobicContact CB-CG1 4.23Å; I68-V91 HydrophobicContact CB-CG2 4.06Å; I68-V91 HydrophobicContact CD1-CG1 3.88Å; I68-V91 HydrophobicContact CG2-CG1 3.81Å; I68-V91 HydrophobicContact CG2-CG2 3.86Å; I68-Y111 HydrophobicContact CD1-CD1 3.8Å; I68-Y111 HydrophobicContact CD1-CD2 3.63Å; I68-Y111 HydrophobicContact CD1-CE1 3.96Å; I68-Y111 HydrophobicContact CD1-CE2 3.8Å; I68-Y111 HydrophobicContact CD1-CG 3.62Å; I68-V113 HydrophobicContact CG2-CG2 3.95Å
69L86.5Confident77.3Confident20 Ų2062.2 Ų62.211%0.10536%0.356CS..Hα-helixtrans-66-43177.6-70.2178.5000112.1T65 Q66 V72 L73 G88 V91 V113T65-L69 HydrophobicContact CG2-CD1 4.38Å; T65-L69 WeakPolarHBondContact O-CG 3.08Å; T65-L69 PolarHBondContact O-N 3.45Å; Q66-L69 PolarHBondContact O-N 2.72Å; Q66-L69 VanDerWaalsContact O-N 3.15Å; L69-V72 PolarHBondContact O-N 3.23Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.41Å; L69-G88 WeakPolarHBondContact CD2-O 3.41Å; L69-V91 HydrophobicContact CD1-CG2 4.38Å; L69-V91 HydrophobicContact CD2-CG2 3.6Å; L69-V91 HydrophobicContact CG-CG2 3.61Å; L69-V113 HydrophobicContact CD2-CG1 4.14Å
70D85.3Confident77.7Confident72 Ų7256.8 Ų56.839%0.38533%0.333SS..Hα-helixtrans-66.3-40.9177.8-67.1-25.7000110.7Q66 L73 E74Q66-D70 PolarHBondContact NE2-OD1 2.94Å; Q66-D70 PolarHBondContact NE2-OD2 2.98Å; Q66-D70 VanDerWaalsContact NE2-OD2 3.15Å; Q66-D70 VanDerWaalsContact O-CG 3.31Å; Q66-D70 PolarHBondContact O-N 3.31Å; D70-L73 WeakPolarHBondContact O-CB 3.4Å; D70-L73 PolarHBondContact O-N 3Å; D70-E74 WeakPolarHBondContact O-CG 3.5Å; D70-E74 PolarHBondContact O-N 2.92Å
71Y88.8Confident78.3Confident66 Ų6656.1 Ų56.126%0.25932%0.316SS..Hα-helixtrans-59.9-47.3173.1171.5-93.9000112.4L54 E55 T56 S67 I68 L73 E74 A75L54-Y71 HydrophobicContact CB-CE1 3.92Å; L54-Y71 HydrophobicContact CD1-CE1 4.43Å; E55-Y71 PolarHBondContact N-OH 3.17Å; E55-Y71 PolarHBondContact O-OH 2.8Å; T56-Y71 HydrophobicContact CG2-CD1 4.23Å; T56-Y71 HydrophobicContact CG2-CE1 4.48Å; T56-Y71 HydrophobicContact CG2-CG 4.38Å; S67-Y71 WeakPolarHBondContact O-CB 3.41Å; S67-Y71 PolarHBondContact O-N 2.82Å; I68-Y71 PolarHBondContact O-N 3.05Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 2.93Å; Y71-E74 PolarHBondContact O-N 2.96Å; Y71-A75 HydrophobicContact CE1-CB 4.39Å; Y71-A75 VanDerWaalsContact O-CB 3.25Å; Y71-A75 WeakPolarHBondContact O-CB 3.46Å; Y71-A75 PolarHBondContact O-N 3.32Å
72V87.3Confident79Confident0 Ų058 Ų580%033%0.327CS..Hα-helixtrans-62-41.1177.3169.40000110.8V12 V14 I68 L69 T76 V113V12-V72 HydrophobicContact CG1-CG2 3.68Å; V14-V72 HydrophobicContact CG2-CG1 3.78Å; V14-V72 HydrophobicContact CG2-CG2 3.98Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.09Å; L69-V72 PolarHBondContact O-N 3.23Å; V72-T76 HydrophobicContact CG1-CG2 4.48Å; V72-T76 WeakPolarHBondContact O-CB 3.43Å; V72-T76 VanDerWaalsContact O-CG2 3.29Å; V72-T76 WeakPolarHBondContact O-CG2 3.29Å; V72-T76 PolarHBondContact O-N 3.24Å; V72-T76 PolarHBondContact O-OG1 2.89Å; V72-V113 HydrophobicContact CG1-CG1 4.41Å; V72-V113 HydrophobicContact CG2-CG2 4.21Å
73L86.6Confident80Confident38 Ų3855.9 Ų55.920%0.19931%0.31CS..Hα-helixtrans-58.5-52.1177-176.169000110.6L69 D70 Y71 T76 K77 Q84 K87L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.41Å; D70-L73 WeakPolarHBondContact O-CB 3.4Å; D70-L73 PolarHBondContact O-N 3Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 2.93Å; L73-T76 PolarHBondContact O-N 2.92Å; L73-T76 PolarHBondContact O-OG1 3.35Å; L73-K77 WeakPolarHBondContact O-CG 3.46Å; L73-K77 PolarHBondContact O-N 2.89Å; L73-Q84 VanDerWaalsContact CD1-O 3.31Å; L73-Q84 WeakPolarHBondContact CD1-O 3.21Å; L73-K87 HydrophobicContact CD1-CB 4.16Å
74E85.6Confident80.4Confident107 Ų10755.5 Ų55.550%0.531%0.308SS..Hα-helixtrans-62.9-49.8179.3-68.9-56.8145.700112.6D70 Y71 T76 K77D70-E74 WeakPolarHBondContact O-CG 3.5Å; D70-E74 PolarHBondContact O-N 2.92Å; Y71-E74 PolarHBondContact O-N 2.96Å; E74-T76 PolarHBondContact O-N 2.98Å; E74-T76 VanDerWaalsContact O-N 3.07Å; E74-K77 VanDerWaalsContact CD-CE 3.46Å; E74-K77 PolarHBondContact O-N 3Å; E74-K77 VanDerWaalsContact O-N 3.17Å; E74-K77 VanDerWaalsContact OE1-CE 3.25Å; E74-K77 WeakPolarHBondContact OE1-CE 3.38Å; E74-K77 IonicContact OE1-NZ 2.68Å; E74-K77 PolarHBondContact OE1-NZ 3.22Å; E74-K77 WeakPolarHBondContact OE2-CD 3.25Å; E74-K77 WeakPolarHBondContact OE2-CE 3.15Å; E74-K77 IonicContact OE2-NZ 3.19Å; E74-K77 PolarHBondContact OE2-NZ 3.07Å
75A84.5Confident80.5Confident26 Ų2653.7 Ų53.722%0.21530%0.301CS..Hα-helixtrans-61.8-21.1-177.800000113.2Y71Y71-A75 HydrophobicContact CE1-CB 4.39Å; Y71-A75 VanDerWaalsContact O-CB 3.25Å; Y71-A75 WeakPolarHBondContact O-CB 3.46Å; Y71-A75 PolarHBondContact O-N 3.32Å
76T85.7Confident80.7Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-108.70.2-17861.20000114L36 V72 L73 E74 P78 I79 S80 I86L36-T76 HydrophobicContact CD2-CG2 3.54Å; V72-T76 HydrophobicContact CG1-CG2 4.48Å; V72-T76 WeakPolarHBondContact O-CB 3.43Å; V72-T76 VanDerWaalsContact O-CG2 3.29Å; V72-T76 WeakPolarHBondContact O-CG2 3.29Å; V72-T76 PolarHBondContact O-N 3.24Å; V72-T76 PolarHBondContact O-OG1 2.89Å; L73-T76 PolarHBondContact O-N 2.92Å; L73-T76 PolarHBondContact O-OG1 3.35Å; E74-T76 PolarHBondContact O-N 2.98Å; E74-T76 VanDerWaalsContact O-N 3.07Å; T76-P78 VanDerWaalsContact C-CD 3.43Å; T76-I79 HydrophobicContact CG2-CD1 4.19Å; T76-I79 WeakPolarHBondContact O-CG1 3.45Å; T76-I79 PolarHBondContact O-N 3.44Å; T76-S80 PolarHBondContact O-N 2.98Å; T76-I86 HydrophobicContact CG2-CB 4.38Å; T76-I86 HydrophobicContact CG2-CD1 4.01Å; T76-I86 HydrophobicContact CG2-CG1 4.25Å; T76-I86 WeakPolarHBondContact OG1-CB 3.35Å; T76-I86 PolarHBondContact OG1-N 3.42Å
77K83Confident80.4Confident65 Ų6553.7 Ų53.728%0.28329%0.294SS..G310 helixtrans-53.9-45.6172.1-71.4-174.2-178.9167.10113.3L73 E74 I79 S80 N83L73-K77 WeakPolarHBondContact O-CG 3.46Å; L73-K77 PolarHBondContact O-N 2.89Å; E74-K77 VanDerWaalsContact CD-CE 3.46Å; E74-K77 PolarHBondContact O-N 3Å; E74-K77 VanDerWaalsContact O-N 3.17Å; E74-K77 VanDerWaalsContact OE1-CE 3.25Å; E74-K77 WeakPolarHBondContact OE1-CE 3.38Å; E74-K77 IonicContact OE1-NZ 2.68Å; E74-K77 PolarHBondContact OE1-NZ 3.22Å; E74-K77 WeakPolarHBondContact OE2-CD 3.25Å; E74-K77 WeakPolarHBondContact OE2-CE 3.15Å; E74-K77 IonicContact OE2-NZ 3.19Å; E74-K77 PolarHBondContact OE2-NZ 3.07Å; K77-I79 PolarHBondContact O-N 3.33Å; K77-I79 VanDerWaalsContact O-N 3.12Å; K77-S80 PolarHBondContact O-N 3.44Å; K77-N83 WeakPolarHBondContact CG-O 3.36Å
78P77.6Confident79.9Confident72 Ų7251.6 Ų51.647%0.46828%0.28SS..G310 helixtrans-64.9-20.3-174.4-22.935000114.5T76T76-P78 VanDerWaalsContact C-CD 3.43Å
79I75.2Confident79.3Confident5 Ų557.8 Ų57.83%0.02631%0.307CS..G310 helixtrans-101.3-12.9-176.960.3173.1000112.9L36 T76 K77 Y123 C129 P130L36-I79 HydrophobicContact CD1-CD1 4.01Å; T76-I79 HydrophobicContact CG2-CD1 4.19Å; T76-I79 WeakPolarHBondContact O-CG1 3.45Å; T76-I79 PolarHBondContact O-N 3.44Å; K77-I79 PolarHBondContact O-N 3.33Å; K77-I79 VanDerWaalsContact O-N 3.12Å; I79-Y123 HydrophobicContact CB-CD1 4.25Å; I79-Y123 HydrophobicContact CD1-CD1 4.35Å; I79-Y123 HydrophobicContact CG1-CD1 4.13Å; I79-Y123 WeakPolarHBondContact O-CA 3.5Å; I79-Y123 WeakPolarHBondContact O-CB 3.39Å; I79-Y123 WeakPolarHBondContact O-CD1 3.36Å; I79-C129 HydrophobicContact CG2-CB 3.47Å; I79-C129 VanDerWaalsContact CG2-CB 3.47Å; I79-P130 HydrophobicContact CD1-CB 4.27Å; I79-P130 VanDerWaalsContact CD1-O 3.28Å; I79-P130 WeakPolarHBondContact CD1-O 3.44Å
80S72.6Confident78.9Confident14 Ų1458.4 Ų58.410%0.09831%0.308CS..SBendtrans-93143.1-175.4-176.90000111.8T76 K77 A82 N83 G85T76-S80 PolarHBondContact O-N 2.98Å; K77-S80 PolarHBondContact O-N 3.44Å; S80-A82 PolarHBondContact O-N 3.07Å; S80-N83 PolarHBondContact O-N 2.79Å; S80-G85 VanDerWaalsContact CB-N 3.31Å; S80-G85 PolarHBondContact OG-N 3.16Å; S80-G85 PolarHBondContact OG-O 3.35Å
81P67.3Low78.8Confident55 Ų5556 Ų5636%0.35730%0.296SS..G310 helixtrans-54.8136.1174.9-23.233.2000111.9N83 Q84 T121P81-N83 PolarHBondContact O-N 2.9Å; P81-Q84 PolarHBondContact O-N 3.12Å; P81-T121 HydrophobicContact CG-CG2 3.82Å
82A69.1Low78.6Confident89 Ų8954.2 Ų54.274%0.73629%0.291SS*.G310 helixtrans56.727.9-179.700000115.1S80 Q84S80-A82 PolarHBondContact O-N 3.07Å; A82-Q84 HydrophobicContact CB-CG 4.25Å; A82-Q84 PolarHBondContact O-N 3.43Å
83N70.3Confident78.6Confident112 Ų11258.5 Ų58.560%0.59931%0.314SS*.G310 helixtrans57.228.8179.2-71.6-15.9000114.4K77 S80 P81K77-N83 WeakPolarHBondContact CG-O 3.36Å; S80-N83 PolarHBondContact O-N 2.79Å; P81-N83 PolarHBondContact O-N 2.9Å
84Q75Confident78.6Confident143 Ų14357.9 Ų57.967%0.66831%0.31SS*.  trans-78.7-18.2-175.1-66.9-176.8-5.900114L73 P81 A82L73-Q84 VanDerWaalsContact CD1-O 3.31Å; L73-Q84 WeakPolarHBondContact CD1-O 3.21Å; P81-Q84 PolarHBondContact O-N 3.12Å; A82-Q84 HydrophobicContact CB-CG 4.25Å; A82-Q84 PolarHBondContact O-N 3.43Å
85G79.3Confident78.6Confident11 Ų1158.7 Ų58.711%0.11331%0.312CS..  trans67.7178.3-174.600000113.9S80S80-G85 VanDerWaalsContact CB-N 3.31Å; S80-G85 PolarHBondContact OG-N 3.16Å; S80-G85 PolarHBondContact OG-O 3.35Å
86I83Confident78.7Confident8 Ų862.6 Ų62.64%0.04132%0.324CS..  trans-97.9107.5174.2-60.5178.3000107.9T76 G88 A115 Y123 F132T76-I86 HydrophobicContact CG2-CB 4.38Å; T76-I86 HydrophobicContact CG2-CD1 4.01Å; T76-I86 HydrophobicContact CG2-CG1 4.25Å; T76-I86 WeakPolarHBondContact OG1-CB 3.35Å; T76-I86 PolarHBondContact OG1-N 3.42Å; I86-G88 PolarHBondContact O-N 3.01Å; I86-A115 HydrophobicContact CG2-CB 3.71Å; I86-Y123 HydrophobicContact CD1-CE1 4.16Å; I86-Y123 HydrophobicContact CG1-CE1 4.23Å; I86-F132 HydrophobicContact CD1-CE2 3.64Å; I86-F132 HydrophobicContact CD1-CZ 3.75Å
87K76.4Confident78.7Confident174 Ų17463.3 Ų63.376%0.75733%0.328SS*.  trans-83.992.1177.4-165.7171.5-176173.70110.6L73L73-K87 HydrophobicContact CD1-CB 4.16Å
88G73.6Confident78.7Confident7 Ų764 Ų647%0.07234%0.339CS..  trans-63145.8166.800000110.7L69 I86L69-G88 WeakPolarHBondContact CD2-O 3.41Å; I86-G88 PolarHBondContact O-N 3.01Å
89K72.8Confident78.9Confident129 Ų12961.2 Ų61.256%0.56132%0.32SS*.SBendtrans-105.7-4.4176.8-65-170.2176.1-171.30113.4
90R77.1Confident78.8Confident33 Ų3365.5 Ų65.513%0.12534%0.342CS..  trans-155.1149-170.1-171.9174.7-178.3-179.4-1.4110.6V92 P114 A176 D226R90-V92 HydrophobicContact CG-CG2 4.13Å; R90-P114 HydrophobicContact CB-CG 4.05Å; R90-P114 WeakPolarHBondContact O-CD 3.4Å; R90-A176 PolarHBondContact NH1-O 2.91Å; R90-D226 IonicContact CZ-OD2 2.86Å; R90-D226 IonicContact NH1-OD2 3.88Å; R90-D226 PolarHBondContact NH1-OD2 2.98Å; R90-D226 IonicContact NH2-OD2 3.48Å; R90-D226 PolarHBondContact NH2-OD2 3.19Å
91V83.9Confident78.6Confident22 Ų2267.7 Ų67.713%0.13337%0.368CS..  trans-128.8132.1169.1-172.30000107.7T65 I68 L69 Y111 I112 V113T65-V91 HydrophobicContact CG2-CB 4.04Å; T65-V91 HydrophobicContact CG2-CG2 3.85Å; I68-V91 HydrophobicContact CB-CG1 4.23Å; I68-V91 HydrophobicContact CB-CG2 4.06Å; I68-V91 HydrophobicContact CD1-CG1 3.88Å; I68-V91 HydrophobicContact CG2-CG1 3.81Å; I68-V91 HydrophobicContact CG2-CG2 3.86Å; L69-V91 HydrophobicContact CD1-CG2 4.38Å; L69-V91 HydrophobicContact CD2-CG2 3.6Å; L69-V91 HydrophobicContact CG-CG2 3.61Å; V91-Y111 HydrophobicContact CG1-CD1 3.73Å; V91-Y111 HydrophobicContact CG1-CG 4.07Å; V91-I112 WeakPolarHBondContact CA-O 3.48Å; V91-V113 HydrophobicContact CG1-CG2 4.39Å; V91-V113 HydrophobicContact CG2-CG2 4.14Å
92V84.4Confident78.3Confident28 Ų2875.1 Ų75.117%0.1740%0.398CS..EExtended strand (participates in β ladder)trans-122.6121.7177.5-179.90000108.7R90 M94 Y111 I112 L177R90-V92 HydrophobicContact CG-CG2 4.13Å; V92-M94 PolarHBondContact O-N 2.85Å; V92-Y111 CarbonylContact O-C 3.5Å; V92-Y111 VanDerWaalsContact O-CA 3.31Å; V92-Y111 WeakPolarHBondContact O-CA 3.28Å; V92-I112 HydrophobicContact CB-CB 4.39Å; V92-I112 PolarHBondContact N-O 3Å; V92-I112 PolarHBondContact O-N 3.46Å; V92-L177 HydrophobicContact CG2-CD1 3.98Å
93L86.8Confident78.1Confident90 Ų9074.8 Ų74.847%0.47138%0.379SS..EExtended strand (participates in β ladder)trans-69.2117.5169.4176.864.2000108.6Y111L93-Y111 HydrophobicContact CB-CD1 3.97Å; L93-Y111 HydrophobicContact CB-CE1 3.82Å; L93-Y111 HydrophobicContact CD1-CD1 4.01Å; L93-Y111 HydrophobicContact CD1-CE1 3.65Å; L93-Y111 HydrophobicContact CD1-CE2 4.4Å; L93-Y111 HydrophobicContact CG-CE1 4.26Å
94M87.4Confident77.8Confident25 Ų2573.1 Ų73.112%0.12338%0.382CS..EExtended strand (participates in β ladder)trans-85.1-61.2179.7-173.1-169.7101.300111V92 F97 L110 I112 A159 L160 W163V92-M94 PolarHBondContact O-N 2.85Å; M94-F97 HydrophobicContact CE-CE2 4.07Å; M94-F97 HydrophobicContact CE-CZ 3.81Å; M94-L110 WeakPolarHBondContact CB-O 3.39Å; M94-L110 HydrophobicContact CE-CD2 3.54Å; M94-L110 PolarHBondContact N-O 3.3Å; M94-L110 HydrophobicContact SD-CD2 3.73Å; M94-I112 HydrophobicContact CB-CD1 3.82Å; M94-I112 HydrophobicContact CB-CG1 4.08Å; M94-I112 HydrophobicContact CG-CD1 3.89Å; M94-I112 HydrophobicContact SD-CD1 3.98Å; M94-A159 HydrophobicContact CE-CB 3.88Å; M94-L160 HydrophobicContact CE-CB 4.44Å; M94-L160 HydrophobicContact SD-CB 4.01Å; M94-L160 HydrophobicContact SD-CD1 3.59Å; M94-L160 VanDerWaalsContact SD-CD1 3.59Å; M94-L160 HydrophobicContact SD-CG 4.42Å; M94-W163 HydrophobicContact CG-CB 4.45Å; M94-W163 HydrophobicContact CG-CD2 4.01Å; M94-W163 HydrophobicContact CG-CG 3.86Å; M94-W163 HydrophobicContact SD-CB 4.08Å; M94-W163 HydrophobicContact SD-CD2 4.35Å; M94-W163 HydrophobicContact SD-CG 4.08Å
95K85.9Confident77.2Confident124 Ų12470.3 Ų70.354%0.53939%0.391SS..EExtended strand (participates in β ladder)trans-165.1152.8-172.9-171.2171.3178.4-1800110.3F97 L110K95-F97 HydrophobicContact CB-CE2 3.87Å; K95-F97 HydrophobicContact CB-CZ 4.26Å; K95-F97 HydrophobicContact CD-CZ 4.27Å; K95-F97 HydrophobicContact CG-CE2 4.24Å; K95-F97 HydrophobicContact CG-CZ 4.42Å; K95-L110 PolarHBondContact O-N 3.43Å
96K87.4Confident77.1Confident108 Ų10875.1 Ų75.147%0.4741%0.411SS..EExtended strand (participates in β ladder)trans-95.4143.3168.8-63.1-171-179.4-179.20111.1E107 A108K96-E107 HydrophobicContact CB-CB 4.32Å; K96-E107 HydrophobicContact CD-CB 4.35Å; K96-E107 WeakPolarHBondContact CD-OE2 3.49Å; K96-E107 IonicContact NZ-OE2 3.73Å; K96-A108 CarbonylContact C-O 3.53Å; K96-A108 VanDerWaalsContact CA-O 3.3Å; K96-A108 WeakPolarHBondContact CA-O 3.37Å
97F85.4Confident77.1Confident16 Ų1680.1 Ų80.17%0.0743%0.434CS..EExtended strand (participates in β ladder)trans-123.8137-176.4-68.2-97.5000110.1M94 K95 E107 A108 L110 L152 M156 A159M94-F97 HydrophobicContact CE-CE2 4.07Å; M94-F97 HydrophobicContact CE-CZ 3.81Å; K95-F97 HydrophobicContact CB-CE2 3.87Å; K95-F97 HydrophobicContact CB-CZ 4.26Å; K95-F97 HydrophobicContact CD-CZ 4.27Å; K95-F97 HydrophobicContact CG-CE2 4.24Å; K95-F97 HydrophobicContact CG-CZ 4.42Å; F97-E107 CarbonylContact O-C 3.57Å; F97-E107 WeakPolarHBondContact O-CA 3.25Å; F97-A108 PolarHBondContact N-O 3.31Å; F97-A108 PolarHBondContact O-N 2.96Å; F97-L110 HydrophobicContact CD2-CB 4.14Å; F97-L110 HydrophobicContact CE2-CB 3.74Å; F97-L110 HydrophobicContact CE2-CD2 4.02Å; F97-L110 HydrophobicContact CZ-CD2 4.43Å; F97-L152 HydrophobicContact CB-CD1 4.15Å; F97-M156 HydrophobicContact CB-CE 3.81Å; F97-M156 HydrophobicContact CD1-CG 4.11Å; F97-M156 HydrophobicContact CD2-CE 3.66Å; F97-M156 HydrophobicContact CD2-CG 3.78Å; F97-M156 HydrophobicContact CD2-SD 4.5Å; F97-M156 HydrophobicContact CE1-CG 4.11Å; F97-M156 HydrophobicContact CE2-CE 4.47Å; F97-M156 HydrophobicContact CE2-CG 3.79Å; F97-M156 HydrophobicContact CG-CE 3.85Å; F97-M156 HydrophobicContact CG-CG 3.95Å; F97-M156 HydrophobicContact CZ-CB 4.43Å; F97-M156 HydrophobicContact CZ-CG 3.96Å; F97-A159 HydrophobicContact CE1-CB 3.74Å; F97-A159 HydrophobicContact CZ-CB 3.56Å
98P83.3Confident77.5Confident79 Ų7971.9 Ų71.951%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-68.413717429.2-33.7000110.6R155P98-R155 PolarHBondContact O-NH2 3.32Å; P98-R155 VanDerWaalsContact O-NH2 3.07Å
99L80.8Confident78.2Confident14 Ų1472.2 Ų72.27%0.07340%0.399CS..PPolyproline II helixtrans-84.3140.5172.7-65.8179.1000110.5D9 K103 Q106 A108 L152D9-L99 WeakPolarHBondContact OD2-CD1 3.1Å; L99-K103 HydrophobicContact CB-CB 3.92Å; L99-K103 HydrophobicContact CD1-CB 3.96Å; L99-K103 HydrophobicContact CD1-CD 3.76Å; L99-Q106 HydrophobicContact CD1-CB 4.08Å; L99-Q106 PolarHBondContact N-O 2.94Å; L99-A108 HydrophobicContact CD1-CB 4.34Å; L99-A108 HydrophobicContact CD2-CB 3.68Å; L99-A108 HydrophobicContact CG-CB 4.05Å; L99-L152 HydrophobicContact CD2-CD1 4.43Å; L99-L152 HydrophobicContact CD2-CD2 3.44Å; L99-L152 VanDerWaalsContact CD2-CD2 3.44Å
100D72.3Confident79.1Confident94 Ų9466.1 Ų66.150%0.50337%0.373SS..PPolyproline II helixtrans-101.9164.2177.4-43.7-46.9000110.4R155D100-R155 VanDerWaalsContact CG-NH2 3.31Å; D100-R155 IonicContact OD1-CZ 3.19Å; D100-R155 IonicContact OD1-NH1 2.74Å; D100-R155 PolarHBondContact OD1-NH1 2.96Å; D100-R155 IonicContact OD1-NH2 3.76Å; D100-R155 PolarHBondContact OD1-NH2 3.23Å; D100-R155 IonicContact OD2-CZ 3.06Å; D100-R155 IonicContact OD2-NE 3.99Å; D100-R155 IonicContact OD2-NH1 3.1Å; D100-R155 PolarHBondContact OD2-NH1 3.48Å; D100-R155 VanDerWaalsContact OD2-NH1 3.1Å; D100-R155 IonicContact OD2-NH2 2.68Å; D100-R155 PolarHBondContact OD2-NH2 3.38Å
101G70.3Confident79.8Confident61 Ų6165.8 Ų65.863%0.62937%0.372SS*.G310 helixtrans79-138.617600000113.8K103 A104G101-K103 PolarHBondContact O-N 3.23Å; G101-K103 VanDerWaalsContact O-N 3.09Å; G101-A104 VanDerWaalsContact O-CB 3.26Å; G101-A104 WeakPolarHBondContact O-CB 3.39Å; G101-A104 PolarHBondContact O-N 2.73Å
102E59.2Low80.1Confident211 Ų21164.8 Ų64.899%0.98637%0.365SS*.G310 helixtrans-63.2-14.8-176.5-64.8-175.6169.300114.3
103K65.9Low80.4Confident81 Ų8163.4 Ų63.435%0.35236%0.357SS..G310 helixtrans-103.217.6175.7-64.1-175.1178.4-179.50113.3D9 L99 G101 G105 Q106D9-K103 IonicContact OD1-NZ 3.03Å; D9-K103 IonicContact OD2-NZ 3.71Å; D9-K103 PolarHBondContact OD2-NZ 2.81Å; L99-K103 HydrophobicContact CB-CB 3.92Å; L99-K103 HydrophobicContact CD1-CB 3.96Å; L99-K103 HydrophobicContact CD1-CD 3.76Å; G101-K103 PolarHBondContact O-N 3.23Å; G101-K103 VanDerWaalsContact O-N 3.09Å; K103-G105 PolarHBondContact O-N 2.88Å; K103-Q106 PolarHBondContact O-N 3.04Å; K103-Q106 VanDerWaalsContact O-N 3.08Å
104A63.8Low80.4Confident78 Ų7859.5 Ų59.565%0.64534%0.337SS*.THydrogen-bonded Turntrans-55.6121.4178.300000111.2G101G101-A104 VanDerWaalsContact O-CB 3.26Å; G101-A104 WeakPolarHBondContact O-CB 3.39Å; G101-A104 PolarHBondContact O-N 2.73Å
105G63.4Low80.3Confident84 Ų8458.5 Ų58.587%0.86633%0.333SS*.THydrogen-bonded Turntrans106.5-6-175.300000115.1K103K103-G105 PolarHBondContact O-N 2.88Å
106Q76.6Confident79.5Confident112 Ų11257.4 Ų57.452%0.52334%0.336SS..  trans-101.5152.5172.2-63.918011.300111.6L99 K103L99-Q106 HydrophobicContact CD1-CB 4.08Å; L99-Q106 PolarHBondContact N-O 2.94Å; K103-Q106 PolarHBondContact O-N 3.04Å; K103-Q106 VanDerWaalsContact O-N 3.08Å
107E82.3Confident78.2Confident113 Ų11354 Ų5453%0.52833%0.325SS..EExtended strand (participates in β ladder)trans-110.8134.9177.2-66-171.9148.500111.3K96 F97K96-E107 HydrophobicContact CB-CB 4.32Å; K96-E107 HydrophobicContact CD-CB 4.35Å; K96-E107 WeakPolarHBondContact CD-OE2 3.49Å; K96-E107 IonicContact NZ-OE2 3.73Å; F97-E107 CarbonylContact O-C 3.57Å; F97-E107 WeakPolarHBondContact O-CA 3.25Å
108A85Confident76.8Confident0 Ų062.5 Ų62.50%036%0.361CS..EExtended strand (participates in β ladder)trans-102.3136170.600000111.5D9 Y11 K96 F97 L99 M156D9-A108 HydrophobicContact CB-CB 4.16Å; D9-A108 VanDerWaalsContact O-CA 3.3Å; D9-A108 WeakPolarHBondContact O-CA 3.23Å; Y11-A108 HydrophobicContact CD2-CB 3.82Å; Y11-A108 HydrophobicContact CE2-CB 3.65Å; K96-A108 CarbonylContact C-O 3.53Å; K96-A108 VanDerWaalsContact CA-O 3.3Å; K96-A108 WeakPolarHBondContact CA-O 3.37Å; F97-A108 PolarHBondContact N-O 3.31Å; F97-A108 PolarHBondContact O-N 2.96Å; L99-A108 HydrophobicContact CD1-CB 4.34Å; L99-A108 HydrophobicContact CD2-CB 3.68Å; L99-A108 HydrophobicContact CG-CB 4.05Å; A108-M156 HydrophobicContact CB-CE 4.2Å
109S88.8Confident74.9Confident15 Ų1563.3 Ų63.311%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-94.2128.2-177.9-61.80000111.1D9 A10 Y11 Y111D9-S109 PolarHBondContact O-N 2.78Å; A10-S109 CarbonylContact C-O 3.58Å; A10-S109 WeakPolarHBondContact CA-O 2.96Å; Y11-S109 PolarHBondContact N-O 3.17Å; S109-Y111 VanDerWaalsContact CB-CE2 3.44Å
110L91.1Very high73.4Confident0 Ų069.8 Ų69.80%040%0.396CS..EExtended strand (participates in β ladder)trans-94.6121170.2-176.864.9000110.4Y11 A13 L53 M94 K95 F97 M156Y11-L110 CarbonylContact O-C 3.54Å; Y11-L110 WeakPolarHBondContact O-CA 3.46Å; A13-L110 HydrophobicContact CB-CD1 4.25Å; L53-L110 HydrophobicContact CD1-CD1 3.87Å; M94-L110 WeakPolarHBondContact CB-O 3.39Å; M94-L110 HydrophobicContact CE-CD2 3.54Å; M94-L110 PolarHBondContact N-O 3.3Å; M94-L110 HydrophobicContact SD-CD2 3.73Å; K95-L110 PolarHBondContact O-N 3.43Å; F97-L110 HydrophobicContact CD2-CB 4.14Å; F97-L110 HydrophobicContact CE2-CB 3.74Å; F97-L110 HydrophobicContact CE2-CD2 4.02Å; F97-L110 HydrophobicContact CZ-CD2 4.43Å; L110-M156 HydrophobicContact CB-SD 4.47Å; L110-M156 HydrophobicContact CD1-SD 4.1Å; L110-M156 HydrophobicContact CD2-CB 3.93Å; L110-M156 HydrophobicContact CD2-CG 4.2Å
111Y91Very high72.7Confident27 Ų2768 Ų6811%0.10639%0.389CS..EExtended strand (participates in β ladder)trans-108.1142.6175.9-63.4-86.4000111.1A10 Y11 V12 A13 I64 I68 V91 V92 L93 S109A10-Y111 HydrophobicContact CB-CD2 4Å; A10-Y111 HydrophobicContact CB-CE2 3.72Å; Y11-Y111 PolarHBondContact O-N 3.49Å; V12-Y111 CarbonylContact C-O 3.59Å; V12-Y111 WeakPolarHBondContact CA-O 3.49Å; A13-Y111 PolarHBondContact N-O 3.25Å; I64-Y111 HydrophobicContact CG2-CE1 4.42Å; I68-Y111 HydrophobicContact CD1-CD1 3.8Å; I68-Y111 HydrophobicContact CD1-CD2 3.63Å; I68-Y111 HydrophobicContact CD1-CE1 3.96Å; I68-Y111 HydrophobicContact CD1-CE2 3.8Å; I68-Y111 HydrophobicContact CD1-CG 3.62Å; V91-Y111 HydrophobicContact CG1-CD1 3.73Å; V91-Y111 HydrophobicContact CG1-CG 4.07Å; V92-Y111 CarbonylContact O-C 3.5Å; V92-Y111 VanDerWaalsContact O-CA 3.31Å; V92-Y111 WeakPolarHBondContact O-CA 3.28Å; L93-Y111 HydrophobicContact CB-CD1 3.97Å; L93-Y111 HydrophobicContact CB-CE1 3.82Å; L93-Y111 HydrophobicContact CD1-CD1 4.01Å; L93-Y111 HydrophobicContact CD1-CE1 3.65Å; L93-Y111 HydrophobicContact CD1-CE2 4.4Å; L93-Y111 HydrophobicContact CG-CE1 4.26Å; S109-Y111 VanDerWaalsContact CB-CE2 3.44Å
112I90.4Very high72.1Confident0 Ų074.6 Ų74.60%040%0.4CS..EExtended strand (participates in β ladder)trans-105.2129.3176-62.5169.9000108.8A13 I15 V91 V92 M94 L160 W163 L177A13-I112 WeakPolarHBondContact O-CA 3.46Å; I15-I112 HydrophobicContact CD1-CD1 4.48Å; I15-I112 HydrophobicContact CD1-CG1 4.3Å; I15-I112 HydrophobicContact CD1-CG2 3.64Å; I15-I112 HydrophobicContact CG1-CG2 4.19Å; V91-I112 WeakPolarHBondContact CA-O 3.48Å; V92-I112 HydrophobicContact CB-CB 4.39Å; V92-I112 PolarHBondContact N-O 3Å; V92-I112 PolarHBondContact O-N 3.46Å; M94-I112 HydrophobicContact CB-CD1 3.82Å; M94-I112 HydrophobicContact CB-CG1 4.08Å; M94-I112 HydrophobicContact CG-CD1 3.89Å; M94-I112 HydrophobicContact SD-CD1 3.98Å; I112-L160 HydrophobicContact CD1-CD1 3.64Å; I112-L160 HydrophobicContact CG1-CD1 4.09Å; I112-W163 HydrophobicContact CD1-CD2 4.16Å; I112-W163 HydrophobicContact CD1-CE3 3.63Å; I112-W163 HydrophobicContact CD1-CH2 3.6Å; I112-W163 HydrophobicContact CD1-CZ2 4.13Å; I112-W163 HydrophobicContact CD1-CZ3 3.33Å; I112-L177 HydrophobicContact CG2-CD1 4.38Å
113V90.6Very high72.6Confident0 Ų067.5 Ų67.50%037%0.365CS..EExtended strand (participates in β ladder)trans-117.4103.1173.51780000108.6V12 A13 V14 I15 I68 L69 V72 V91 A115V12-V113 HydrophobicContact CG1-CB 4.23Å; V12-V113 HydrophobicContact CG1-CG2 3.59Å; A13-V113 PolarHBondContact O-N 3.11Å; V14-V113 WeakPolarHBondContact CA-O 3.34Å; V14-V113 HydrophobicContact CG2-CB 4.36Å; I15-V113 PolarHBondContact N-O 2.97Å; I68-V113 HydrophobicContact CG2-CG2 3.95Å; L69-V113 HydrophobicContact CD2-CG1 4.14Å; V72-V113 HydrophobicContact CG1-CG1 4.41Å; V72-V113 HydrophobicContact CG2-CG2 4.21Å; V91-V113 HydrophobicContact CG1-CG2 4.39Å; V91-V113 HydrophobicContact CG2-CG2 4.14Å; V113-A115 PolarHBondContact O-N 3.33Å
114P87.6Confident72.4Confident8 Ų866.9 Ų66.95%0.05238%0.375CS..EExtended strand (participates in β ladder)trans-74.6127.317726.4-26.3000110I15 R90 L177 F178I15-P114 WeakPolarHBondContact O-CA 3.47Å; R90-P114 HydrophobicContact CB-CG 4.05Å; R90-P114 WeakPolarHBondContact O-CD 3.4Å; P114-L177 HydrophobicContact CB-CG 4.18Å; P114-L177 WeakPolarHBondContact CB-O 3.5Å; P114-L177 HydrophobicContact CG-CD1 4.29Å; P114-L177 HydrophobicContact CG-CG 4.34Å; P114-L177 WeakPolarHBondContact CG-O 2.98Å; P114-F178 HydrophobicContact CB-CD1 3.56Å; P114-F178 HydrophobicContact CB-CE1 3.6Å; P114-F178 HydrophobicContact CB-CG 4.32Å; P114-F178 HydrophobicContact CB-CZ 4.4Å
115A84.4Confident72.7Confident3 Ų370.1 Ų70.13%0.02537%0.371CS..  trans-113.7122.9177.400000110.1V14 I15 R16 I86 V113V14-A115 HydrophobicContact CG1-CB 4.08Å; I15-A115 PolarHBondContact O-N 3.2Å; R16-A115 HydrophobicContact CB-CB 4.46Å; R16-A115 WeakPolarHBondContact CB-O 3.5Å; I86-A115 HydrophobicContact CG2-CB 3.71Å; V113-A115 PolarHBondContact O-N 3.33Å
116V70.1Confident72.9Confident101 Ų10168.3 Ų68.361%0.61235%0.346SS*.  trans-10294.7170.8-1740000107.2F178V116-F178 HydrophobicContact CG2-CB 4.04Å; V116-F178 HydrophobicContact CG2-CD1 4Å; V116-F178 HydrophobicContact CG2-CG 4.47Å
117V59.6Low72.4Confident38 Ų3868.3 Ų68.323%0.2336%0.355CS..PPolyproline II helixtrans-85.5118.6177.7-175.30000107.3T121 Y123V117-T121 WeakPolarHBondContact CG1-OG1 3.41Å; V117-Y123 HydrophobicContact CG1-CE2 4.3Å; V117-Y123 VanDerWaalsContact CG1-OH 3.23Å; V117-Y123 WeakPolarHBondContact CG1-OH 3.31Å; V117-Y123 WeakPolarHBondContact CG2-OH 3.41Å
118K55.9Low71.7Confident193 Ų19365.3 Ų65.384%0.83936%0.355SS*.PPolyproline II helixtrans-67.3132.8170.5-74.8-177.9176.6-177.70108.8
119D43.7Very low71.4Confident97 Ų9766.2 Ų66.252%0.51936%0.361SS..THydrogen-bonded Turntrans-51.5146.9-164.5-78.1-4.7000117.4N19N19-D119 VanDerWaalsContact CG-CG 3.45Å; N19-D119 PolarHBondContact ND2-OD1 3.09Å; N19-D119 PolarHBondContact ND2-OD2 3.25Å; N19-D119 PolarHBondContact OD1-OD1 2.96Å
120N50.3Low71.2Confident150 Ų15066 Ų6680%0.80236%0.359SS*.THydrogen-bonded Turntrans86.78.9169.1-67.5-14.5000120K122N120-K122 PolarHBondContact O-N 3.5Å; N120-K122 VanDerWaalsContact O-N 3.11Å
121T57.2Low71Confident57 Ų5767.8 Ų67.835%0.3537%0.37SS..  trans-72.3106.3167.952.40000110.9P81 V117 Y123P81-T121 HydrophobicContact CG-CG2 3.82Å; V117-T121 WeakPolarHBondContact CG1-OG1 3.41Å; T121-Y123 VanDerWaalsContact O-CD2 3.25Å; T121-Y123 WeakPolarHBondContact O-CD2 3.44Å; T121-Y123 WeakPolarHBondContact O-CE2 3.43Å; T121-Y123 PolarHBondContact O-N 2.98Å; T121-Y123 WeakPolarHBondContact OG1-CE2 3.34Å
122K58.3Low70.8Confident198 Ų19867.7 Ų67.786%0.86137%0.37SS*.  trans-70.3113.6168.4-73.8-175.6178.1-179.80108.9N120N120-K122 PolarHBondContact O-N 3.5Å; N120-K122 VanDerWaalsContact O-N 3.11Å
123Y68.8Low70.7Confident62 Ų6269.8 Ų69.824%0.24338%0.378CS..PPolyproline II helixtrans-76.6128173.6-66-96.1000108.8I79 I86 V117 T121I79-Y123 HydrophobicContact CB-CD1 4.25Å; I79-Y123 HydrophobicContact CD1-CD1 4.35Å; I79-Y123 HydrophobicContact CG1-CD1 4.13Å; I79-Y123 WeakPolarHBondContact O-CA 3.5Å; I79-Y123 WeakPolarHBondContact O-CB 3.39Å; I79-Y123 WeakPolarHBondContact O-CD1 3.36Å; I86-Y123 HydrophobicContact CD1-CE1 4.16Å; I86-Y123 HydrophobicContact CG1-CE1 4.23Å; V117-Y123 HydrophobicContact CG1-CE2 4.3Å; V117-Y123 VanDerWaalsContact CG1-OH 3.23Å; V117-Y123 WeakPolarHBondContact CG1-OH 3.31Å; V117-Y123 WeakPolarHBondContact CG2-OH 3.41Å; T121-Y123 VanDerWaalsContact O-CD2 3.25Å; T121-Y123 WeakPolarHBondContact O-CD2 3.44Å; T121-Y123 WeakPolarHBondContact O-CE2 3.43Å; T121-Y123 PolarHBondContact O-N 2.98Å; T121-Y123 WeakPolarHBondContact OG1-CE2 3.34Å
124A62.3Low70.7Confident69 Ų6970.4 Ų70.457%0.5738%0.383SS*.PPolyproline II helixtrans-77.5130.1179.600000109.9
125Y69.3Low70.8Confident145 Ų14570 Ų7057%0.56938%0.38SS*.PPolyproline II helixtrans-81.9127.1173.7178.5-97.4000110.1E39 P127 V131E39-Y125 PolarHBondContact OE2-OH 3Å; Y125-P127 HydrophobicContact CE1-CG 4.47Å; Y125-V131 HydrophobicContact CD2-CG2 3.68Å; Y125-V131 HydrophobicContact CE2-CG2 3.87Å
126S67.7Low71.1Confident47 Ų4773.5 Ų73.533%0.32940%0.396SS..  trans-133.5143.1163.557.90000110G128 C129S126-G128 PolarHBondContact O-N 3.23Å; S126-C129 WeakPolarHBondContact O-CB 3.45Å; S126-C129 PolarHBondContact O-N 3.43Å; S126-C129 VanDerWaalsContact O-N 3.13Å; S126-C129 PolarHBondContact OG-SG 3.23Å
127P65.8Low72Confident111 Ų11172.4 Ų72.472%0.72139%0.387SS*.THydrogen-bonded Turntrans-57.8127.2-179.3-24.533.9000111.8Y125Y125-P127 HydrophobicContact CE1-CG 4.47Å
128G68.4Low73.4Confident50 Ų5070.8 Ų70.852%0.51538%0.377SS..THydrogen-bonded Turntrans89.35-178.700000114.9L38 S126L38-G128 WeakPolarHBondContact CD1-O 3.32Å; S126-G128 PolarHBondContact O-N 3.23Å
129C78.1Confident75.1Confident20 Ų2063.9 Ų63.914%0.13535%0.348CS..SBendtrans-97.2156.2170.8-73.40000112.6I79 S126I79-C129 HydrophobicContact CG2-CB 3.47Å; I79-C129 VanDerWaalsContact CG2-CB 3.47Å; S126-C129 WeakPolarHBondContact O-CB 3.45Å; S126-C129 PolarHBondContact O-N 3.43Å; S126-C129 VanDerWaalsContact O-N 3.13Å; S126-C129 PolarHBondContact OG-SG 3.23Å
130P85.3Confident77.1Confident10 Ų1067.6 Ų67.67%0.06536%0.355CS..  trans-68.2143.2177.1-16.830000113.1L36 L37 L38 L54 I79L36-P130 HydrophobicContact CD1-CB 3.86Å; L36-P130 HydrophobicContact CD2-CB 3.76Å; L36-P130 HydrophobicContact CG-CB 3.64Å; L37-P130 CarbonylContact O-C 3.58Å; L37-P130 VanDerWaalsContact O-CA 3.31Å; L37-P130 WeakPolarHBondContact O-CA 3.46Å; L38-P130 HydrophobicContact CD1-CG 4.15Å; L54-P130 HydrophobicContact CD2-CB 4.31Å; L54-P130 HydrophobicContact CD2-CG 3.98Å; I79-P130 HydrophobicContact CD1-CB 4.27Å; I79-P130 VanDerWaalsContact CD1-O 3.28Å; I79-P130 WeakPolarHBondContact CD1-O 3.44Å
131V85.8Confident78.7Confident38 Ų3863.9 Ų63.923%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-134.7142.5-177.4-177.50000110.9L36 L37 Y125 Y133L36-V131 WeakPolarHBondContact CA-O 3.38Å; L37-V131 PolarHBondContact N-O 3.28Å; L37-V131 PolarHBondContact O-N 2.93Å; Y125-V131 HydrophobicContact CD2-CG2 3.68Å; Y125-V131 HydrophobicContact CE2-CG2 3.87Å; V131-Y133 HydrophobicContact CB-CE2 3.76Å; V131-Y133 HydrophobicContact CG1-CE2 4.13Å; V131-Y133 WeakPolarHBondContact O-CD2 3.33Å; V131-Y133 VanDerWaalsContact O-CE2 3.32Å; V131-Y133 WeakPolarHBondContact O-CE2 3.28Å
132F87.9Confident80.1Confident25 Ų2561.9 Ų61.911%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-78.9126.8174.6-79.1-75.8000111.1V14 R16 E34 I35 L36 I86V14-F132 HydrophobicContact CG1-CE1 4.44Å; V14-F132 HydrophobicContact CG1-CZ 4.28Å; R16-F132 HydrophobicContact CB-CE1 4.5Å; R16-F132 HydrophobicContact CG-CD1 4.07Å; R16-F132 HydrophobicContact CG-CE1 3.79Å; R16-F132 HydrophobicContact CG-CZ 4.29Å; R16-F132 VanDerWaalsContact NH1-CD2 3.29Å; R16-F132 VanDerWaalsContact NH1-CE2 3.29Å; E34-F132 HydrophobicContact CB-CB 4.21Å; E34-F132 HydrophobicContact CB-CD1 3.95Å; E34-F132 HydrophobicContact CB-CG 4.45Å; I35-F132 WeakPolarHBondContact O-CA 3.39Å; L36-F132 HydrophobicContact CB-CD1 4.1Å; L36-F132 HydrophobicContact CB-CE1 3.85Å; L36-F132 HydrophobicContact CB-CZ 4.2Å; L36-F132 HydrophobicContact CD1-CD1 4.2Å; L36-F132 HydrophobicContact CD1-CD2 3.65Å; L36-F132 HydrophobicContact CD1-CE1 4.2Å; L36-F132 HydrophobicContact CD1-CE2 3.66Å; L36-F132 HydrophobicContact CD1-CG 3.94Å; L36-F132 HydrophobicContact CD1-CZ 3.93Å; I86-F132 HydrophobicContact CD1-CE2 3.64Å; I86-F132 HydrophobicContact CD1-CZ 3.75Å
133Y88.4Confident81Confident43 Ų4354.7 Ų54.717%0.16930%0.3CS..EExtended strand (participates in β ladder)trans-117.1141.4172.7-60.7-92.3000109.9E34 I35 L37 E39 K51 V131 L135E34-Y133 CarbonylContact C-O 3.6Å; E34-Y133 VanDerWaalsContact CA-O 3.26Å; E34-Y133 WeakPolarHBondContact CA-O 3.49Å; I35-Y133 PolarHBondContact N-O 2.89Å; I35-Y133 PolarHBondContact O-N 3.42Å; L37-Y133 HydrophobicContact CB-CD2 3.87Å; L37-Y133 HydrophobicContact CB-CE2 3.9Å; L37-Y133 HydrophobicContact CD1-CD2 3.91Å; L37-Y133 HydrophobicContact CD1-CE2 4.49Å; L37-Y133 HydrophobicContact CG-CD2 4.15Å; E39-Y133 PolarHBondContact OE1-OH 2.89Å; K51-Y133 HydrophobicContact CD-CE1 4.39Å; K51-Y133 HydrophobicContact CD-CE2 4.27Å; V131-Y133 HydrophobicContact CB-CE2 3.76Å; V131-Y133 HydrophobicContact CG1-CE2 4.13Å; V131-Y133 WeakPolarHBondContact O-CD2 3.33Å; V131-Y133 VanDerWaalsContact O-CE2 3.32Å; V131-Y133 WeakPolarHBondContact O-CE2 3.28Å; Y133-L135 PolarHBondContact O-N 3.27Å
134C89.9Confident81Confident13 Ų1357.4 Ų57.49%0.08832%0.315CS..EExtended strand (participates in β ladder)trans-61.7126.3172.9178.10000110.1K18 Q136 D137 I138K18-C134 PolarHBondContact NZ-SG 3.39Å; C134-Q136 VanDerWaalsContact C-N 3.27Å; C134-Q136 PolarHBondContact O-N 3.47Å; C134-D137 HydrophobicContact CB-CB 4.29Å; C134-D137 VanDerWaalsContact CB-OD2 3.25Å; C134-D137 WeakPolarHBondContact CB-OD2 3.31Å; C134-D137 PolarHBondContact O-N 3.24Å; C134-I138 WeakPolarHBondContact O-CG1 3.29Å; C134-I138 PolarHBondContact O-N 2.89Å; C134-I138 VanDerWaalsContact O-N 3.08Å
135L90.6Very high81.3Confident0 Ų059.2 Ų59.20%032%0.323CS..Hα-helixtrans-60.4-36.2-176.3174.558.5000112.4Y28 A30 Y33 I35 Y133 D137 I138 M139 L164Y28-L135 WeakPolarHBondContact OH-CD2 3.36Å; A30-L135 HydrophobicContact CB-CD2 4.41Å; A30-L135 HydrophobicContact CB-CG 4.14Å; A30-L135 WeakPolarHBondContact O-CB 3.19Å; Y33-L135 PolarHBondContact O-N 3.11Å; I35-L135 HydrophobicContact CD1-CD1 3.68Å; I35-L135 HydrophobicContact CD1-CD2 4.43Å; I35-L135 HydrophobicContact CD1-CG 4.43Å; Y133-L135 PolarHBondContact O-N 3.27Å; L135-D137 VanDerWaalsContact C-N 3.29Å; L135-D137 PolarHBondContact O-N 2.9Å; L135-I138 WeakPolarHBondContact O-CB 3.42Å; L135-I138 PolarHBondContact O-N 3.31Å; L135-M139 HydrophobicContact CD1-CE 3.64Å; L135-M139 HydrophobicContact CD1-CG 3.93Å; L135-M139 HydrophobicContact CD1-SD 4.38Å; L135-M139 HydrophobicContact CG-CG 4.36Å; L135-M139 WeakPolarHBondContact O-CG 3.35Å; L135-M139 PolarHBondContact O-N 3.34Å; L135-L164 HydrophobicContact CD2-CD1 3.74Å
136Q91Very high81.7Confident76 Ų7653.2 Ų53.236%0.35530%0.303SS..Hα-helixtrans-59-40.1174.1-175.8174.639.200112.6A30 K31 C134 M139 R140A30-Q136 HydrophobicContact CB-CB 4.18Å; K31-Q136 HydrophobicContact CB-CB 4.11Å; K31-Q136 VanDerWaalsContact CB-OE1 3.31Å; C134-Q136 VanDerWaalsContact C-N 3.27Å; C134-Q136 PolarHBondContact O-N 3.47Å; Q136-M139 PolarHBondContact O-N 2.96Å; Q136-R140 WeakPolarHBondContact O-CG 3.19Å; Q136-R140 PolarHBondContact O-N 3.4Å
137D88.6Confident82.1Confident78 Ų7856.1 Ų56.142%0.41732%0.319SS..Hα-helixtrans-73.9-33.2-180-63.9-44.7000111.5C134 L135 R140 V141C134-D137 HydrophobicContact CB-CB 4.29Å; C134-D137 VanDerWaalsContact CB-OD2 3.25Å; C134-D137 WeakPolarHBondContact CB-OD2 3.31Å; C134-D137 PolarHBondContact O-N 3.24Å; L135-D137 VanDerWaalsContact C-N 3.29Å; L135-D137 PolarHBondContact O-N 2.9Å; D137-R140 IonicContact OD1-CZ 3.66Å; D137-R140 IonicContact OD1-NH1 3.4Å; D137-R140 PolarHBondContact OD1-NH1 2.99Å; D137-V141 WeakPolarHBondContact O-CG2 3.49Å
138I89.3Confident82.8Confident5 Ų555.8 Ų55.83%0.02631%0.307CS..Hα-helixtrans-60.3-51.8170-59171.6000109.3I35 L37 C134 L135 R140 V141 C142 F149 L157I35-I138 HydrophobicContact CB-CD1 4.08Å; I35-I138 HydrophobicContact CD1-CD1 4.49Å; L37-I138 HydrophobicContact CD1-CD1 3.93Å; L37-I138 HydrophobicContact CD1-CG1 4.4Å; C134-I138 WeakPolarHBondContact O-CG1 3.29Å; C134-I138 PolarHBondContact O-N 2.89Å; C134-I138 VanDerWaalsContact O-N 3.08Å; L135-I138 WeakPolarHBondContact O-CB 3.42Å; L135-I138 PolarHBondContact O-N 3.31Å; I138-R140 PolarHBondContact O-N 2.97Å; I138-V141 WeakPolarHBondContact O-CG2 3.14Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-V141 VanDerWaalsContact O-N 3.07Å; I138-C142 HydrophobicContact CG2-CB 4.09Å; I138-C142 WeakPolarHBondContact O-CB 3.44Å; I138-C142 PolarHBondContact O-N 2.8Å; I138-F149 HydrophobicContact CG2-CE1 3.93Å; I138-F149 HydrophobicContact CG2-CZ 3.78Å; I138-L157 HydrophobicContact CG2-CD1 3.92Å
139M90.9Very high83.6Confident48 Ų4853.7 Ų53.724%0.23628%0.284CS..Hα-helixtrans-64.8-22.6-175.1-69-54.7106.300113.9L135 Q136 V141 C142 L157 D161L135-M139 HydrophobicContact CD1-CE 3.64Å; L135-M139 HydrophobicContact CD1-CG 3.93Å; L135-M139 HydrophobicContact CD1-SD 4.38Å; L135-M139 HydrophobicContact CG-CG 4.36Å; L135-M139 WeakPolarHBondContact O-CG 3.35Å; L135-M139 PolarHBondContact O-N 3.34Å; Q136-M139 PolarHBondContact O-N 2.96Å; M139-V141 VanDerWaalsContact C-N 3.29Å; M139-V141 PolarHBondContact O-N 2.84Å; M139-C142 HydrophobicContact CE-CB 4.05Å; M139-L157 HydrophobicContact CE-CB 3.89Å; M139-D161 HydrophobicContact CE-CB 4.49Å; M139-D161 HydrophobicContact CG-CB 4.16Å; M139-D161 HydrophobicContact SD-CB 3.68Å
140R86.1Confident83.9Confident175 Ų17553.8 Ų53.866%0.6629%0.286SS*.Hα-helixtrans-66-29173.2-75.7172.6176.1164.9-9.1113.8Q136 D137 I138Q136-R140 WeakPolarHBondContact O-CG 3.19Å; Q136-R140 PolarHBondContact O-N 3.4Å; D137-R140 IonicContact OD1-CZ 3.66Å; D137-R140 IonicContact OD1-NH1 3.4Å; D137-R140 PolarHBondContact OD1-NH1 2.99Å; I138-R140 PolarHBondContact O-N 2.97Å
141V83.4Confident83.9Confident72 Ų7256.8 Ų56.844%0.43631%0.305SS..Hα-helixtrans-122.4-3.6-172.8-67.30000113.5D137 I138 M139 S143 S146 F149D137-V141 WeakPolarHBondContact O-CG2 3.49Å; I138-V141 WeakPolarHBondContact O-CG2 3.14Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-V141 VanDerWaalsContact O-N 3.07Å; M139-V141 VanDerWaalsContact C-N 3.29Å; M139-V141 PolarHBondContact O-N 2.84Å; V141-S143 PolarHBondContact O-N 3.03Å; V141-S146 WeakPolarHBondContact O-CB 3.25Å; V141-S146 PolarHBondContact O-OG 3.24Å; V141-F149 HydrophobicContact CG2-CE2 3.82Å; V141-F149 HydrophobicContact CG2-CZ 4.22Å
142C85.4Confident83.9Confident15 Ų1556.1 Ų56.110%0.10130%0.299CS..  trans-84.4104.1-179-172.70000110.1I138 M139 F149I138-C142 HydrophobicContact CG2-CB 4.09Å; I138-C142 WeakPolarHBondContact O-CB 3.44Å; I138-C142 PolarHBondContact O-N 2.8Å; M139-C142 HydrophobicContact CE-CB 4.05Å; C142-F149 HydrophobicContact CB-CD2 4.46Å; C142-F149 HydrophobicContact CB-CE2 4.22Å
143S78.7Confident83.9Confident47 Ų4755 Ų5533%0.32930%0.295SS..  trans-134.3158.2168.567.90000109.2V141 S145 S146V141-S143 PolarHBondContact O-N 3.03Å; S143-S145 PolarHBondContact O-N 2.99Å; S143-S145 VanDerWaalsContact O-N 3.17Å; S143-S145 PolarHBondContact OG-OG 3.37Å; S143-S146 WeakPolarHBondContact O-CB 3.44Å; S143-S146 PolarHBondContact O-N 3.18Å; S143-S146 PolarHBondContact OG-N 2.91Å; S143-S146 VanDerWaalsContact OG-N 3.15Å
144E67.6Low83.9Confident118 Ų11853 Ų5355%0.55129%0.287SS*.THydrogen-bonded Turntrans-62.3-21.1175.5-64.4-174.7-178.100112.7R155E144-R155 HydrophobicContact CG-CG 3.92Å; E144-R155 WeakPolarHBondContact OE1-CG 3.31Å
145S69.8Low83.9Confident107 Ų10754.6 Ų54.675%0.74829%0.291SS*.THydrogen-bonded Turntrans-91.20.3174.6550000114.4S143S143-S145 PolarHBondContact O-N 2.99Å; S143-S145 VanDerWaalsContact O-N 3.17Å; S143-S145 PolarHBondContact OG-OG 3.37Å
146S76.8Confident84Confident20 Ų2054.6 Ų54.614%0.1429%0.291CS..  trans-73.8132.1-174.6-173.40000111.6V141 S143 H148V141-S146 WeakPolarHBondContact O-CB 3.25Å; V141-S146 PolarHBondContact O-OG 3.24Å; S143-S146 WeakPolarHBondContact O-CB 3.44Å; S143-S146 PolarHBondContact O-N 3.18Å; S143-S146 PolarHBondContact OG-N 2.91Å; S143-S146 VanDerWaalsContact OG-N 3.15Å; S146-H148 PolarHBondContact O-N 2.93Å; S146-H148 PolarHBondContact OG-N 3.42Å
147T75.8Confident84Confident107 Ų10751 Ų5166%0.65627%0.274SS*.THydrogen-bonded Turntrans-76.9-8.4173.961.20000113
148H80.4Confident84.1Confident104 Ų10450.6 Ų50.648%0.48127%0.272SS..THydrogen-bonded Turntrans-85.8-18.5-177-65.5-66.9000113.9K50 K51 S146K50-H148 WeakPolarHBondContact CA-O 3.27Å; K51-H148 PolarHBondContact N-O 3.35Å; S146-H148 PolarHBondContact O-N 2.93Å; S146-H148 PolarHBondContact OG-N 3.42Å
149F85.6Confident84.2Confident7 Ų751.6 Ų51.63%0.03128%0.281CS..BIsolated β-bridgetrans-128.9150.9-177.3-59.9-88.2000110.6L37 K51 I138 V141 C142 T153 A154 L157L37-F149 HydrophobicContact CD1-CE1 3.88Å; K51-F149 HydrophobicContact CB-CD1 3.71Å; K51-F149 HydrophobicContact CB-CE1 3.84Å; K51-F149 HydrophobicContact CD-CE1 3.91Å; K51-F149 HydrophobicContact CD-CZ 4.28Å; K51-F149 HydrophobicContact CG-CE1 4.5Å; K51-F149 WeakPolarHBondContact O-CA 3.39Å; I138-F149 HydrophobicContact CG2-CE1 3.93Å; I138-F149 HydrophobicContact CG2-CZ 3.78Å; V141-F149 HydrophobicContact CG2-CE2 3.82Å; V141-F149 HydrophobicContact CG2-CZ 4.22Å; C142-F149 HydrophobicContact CB-CD2 4.46Å; C142-F149 HydrophobicContact CB-CE2 4.22Å; F149-T153 HydrophobicContact CD1-CG2 4.48Å; F149-A154 HydrophobicContact CB-CB 4.12Å; F149-L157 HydrophobicContact CD1-CD1 3.98Å; F149-L157 HydrophobicContact CE1-CD1 4.08Å
150A84.9Confident84.2Confident22 Ų2249.3 Ų49.318%0.18227%0.269CS..  trans-65.7139.8164.200000109.8K50 K51 V52 L152 T153 A154K50-A150 HydrophobicContact CD-CB 4.48Å; K51-A150 PolarHBondContact O-N 3.09Å; V52-A150 HydrophobicContact CG1-CB 3.82Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.67Å; A150-T153 CarbonylContact O-C 3.3Å; A150-T153 WeakPolarHBondContact O-CA 3.34Å; A150-T153 WeakPolarHBondContact O-CB 3.29Å; A150-T153 PolarHBondContact O-N 2.69Å; A150-A154 PolarHBondContact O-N 3.15Å
151T84.7Confident84.5Confident73 Ų7342.8 Ų42.845%0.44825%0.248SC..Hα-helixtrans-52.4-46.2-175.6-50.80000112.6T153 A154 R155T151-T153 PolarHBondContact O-N 3.44Å; T151-A154 PolarHBondContact O-N 3.42Å; T151-R155 WeakPolarHBondContact O-CG 3.32Å; T151-R155 PolarHBondContact O-N 3.48Å
152L86.2Confident84.8Confident23 Ų2345.7 Ų45.712%0.1225%0.254CS..Hα-helixtrans-63.6-41.2176.3-177.565000112.7Y11 F97 L99 A150 R155 M156Y11-L152 HydrophobicContact CD2-CD2 4.5Å; Y11-L152 HydrophobicContact CE2-CD2 3.63Å; F97-L152 HydrophobicContact CB-CD1 4.15Å; L99-L152 HydrophobicContact CD2-CD1 4.43Å; L99-L152 HydrophobicContact CD2-CD2 3.44Å; L99-L152 VanDerWaalsContact CD2-CD2 3.44Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.67Å; L152-R155 VanDerWaalsContact CD1-NH2 3.3Å; L152-R155 PolarHBondContact O-N 3.4Å; L152-M156 HydrophobicContact CD1-CE 3.86Å; L152-M156 HydrophobicContact CD2-CE 4.16Å; L152-M156 HydrophobicContact CG-CE 3.88Å; L152-M156 HydrophobicContact CG-SD 4.26Å; L152-M156 WeakPolarHBondContact O-CB 3.4Å; L152-M156 WeakPolarHBondContact O-CG 3.49Å; L152-M156 PolarHBondContact O-N 2.8Å
153T88.5Confident85.1Confident3 Ų346.5 Ų46.52%0.01826%0.255CS..Hα-helixtrans-62.9-41.8174.8-68.20000111.3L53 F149 A150 T151 M156 L157L53-T153 HydrophobicContact CB-CG2 4.45Å; L53-T153 HydrophobicContact CD1-CG2 4.25Å; L53-T153 HydrophobicContact CG-CG2 3.94Å; L53-T153 PolarHBondContact N-OG1 3.27Å; F149-T153 HydrophobicContact CD1-CG2 4.48Å; A150-T153 CarbonylContact O-C 3.3Å; A150-T153 WeakPolarHBondContact O-CA 3.34Å; A150-T153 WeakPolarHBondContact O-CB 3.29Å; A150-T153 PolarHBondContact O-N 2.69Å; T151-T153 PolarHBondContact O-N 3.44Å; T153-M156 PolarHBondContact O-N 3.42Å; T153-L157 HydrophobicContact CG2-CD1 3.59Å; T153-L157 HydrophobicContact CG2-CG 4.15Å; T153-L157 WeakPolarHBondContact O-CB 3.37Å; T153-L157 VanDerWaalsContact O-CG 3.25Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.49Å
154A88Confident85.6Confident0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-61.4-46.2176.800000111.4F149 A150 T151 M156 L157 I158F149-A154 HydrophobicContact CB-CB 4.12Å; A150-A154 PolarHBondContact O-N 3.15Å; T151-A154 PolarHBondContact O-N 3.42Å; A154-M156 VanDerWaalsContact C-N 3.34Å; A154-M156 PolarHBondContact O-N 3.48Å; A154-L157 PolarHBondContact O-N 3.3Å; A154-I158 VanDerWaalsContact O-CG1 3.29Å; A154-I158 WeakPolarHBondContact O-CG1 3.48Å; A154-I158 PolarHBondContact O-N 3.18Å
155R89.5Confident86.6Confident46 Ų4642.3 Ų42.317%0.17423%0.233CC..Hα-helixtrans-57-45.4174-70.6-168.5-60.2-179.61.6112.2P98 D100 E144 T151 L152 A159P98-R155 PolarHBondContact O-NH2 3.32Å; P98-R155 VanDerWaalsContact O-NH2 3.07Å; D100-R155 VanDerWaalsContact CG-NH2 3.31Å; D100-R155 IonicContact OD1-CZ 3.19Å; D100-R155 IonicContact OD1-NH1 2.74Å; D100-R155 PolarHBondContact OD1-NH1 2.96Å; D100-R155 IonicContact OD1-NH2 3.76Å; D100-R155 PolarHBondContact OD1-NH2 3.23Å; D100-R155 IonicContact OD2-CZ 3.06Å; D100-R155 IonicContact OD2-NE 3.99Å; D100-R155 IonicContact OD2-NH1 3.1Å; D100-R155 PolarHBondContact OD2-NH1 3.48Å; D100-R155 VanDerWaalsContact OD2-NH1 3.1Å; D100-R155 IonicContact OD2-NH2 2.68Å; D100-R155 PolarHBondContact OD2-NH2 3.38Å; E144-R155 HydrophobicContact CG-CG 3.92Å; E144-R155 WeakPolarHBondContact OE1-CG 3.31Å; T151-R155 WeakPolarHBondContact O-CG 3.32Å; T151-R155 PolarHBondContact O-N 3.48Å; L152-R155 VanDerWaalsContact CD1-NH2 3.3Å; L152-R155 PolarHBondContact O-N 3.4Å; R155-A159 WeakPolarHBondContact O-CB 3.41Å; R155-A159 PolarHBondContact O-N 2.84Å; R155-A159 VanDerWaalsContact O-N 3.08Å
156M92.1Very high87.4Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-65.2-40.6178.7-76.9177.1176.600112.8Y11 L53 F97 A108 L110 L152 T153 A154 A159 L160Y11-M156 HydrophobicContact CD1-SD 4.3Å; Y11-M156 HydrophobicContact CD2-CE 3.46Å; Y11-M156 VanDerWaalsContact CD2-CE 3.46Å; Y11-M156 HydrophobicContact CD2-SD 3.93Å; Y11-M156 HydrophobicContact CE2-CE 4.06Å; Y11-M156 HydrophobicContact CG-CE 3.9Å; Y11-M156 HydrophobicContact CG-SD 3.69Å; L53-M156 HydrophobicContact CD1-CB 3.71Å; L53-M156 HydrophobicContact CD1-SD 4.06Å; F97-M156 HydrophobicContact CB-CE 3.81Å; F97-M156 HydrophobicContact CD1-CG 4.11Å; F97-M156 HydrophobicContact CD2-CE 3.66Å; F97-M156 HydrophobicContact CD2-CG 3.78Å; F97-M156 HydrophobicContact CD2-SD 4.5Å; F97-M156 HydrophobicContact CE1-CG 4.11Å; F97-M156 HydrophobicContact CE2-CE 4.47Å; F97-M156 HydrophobicContact CE2-CG 3.79Å; F97-M156 HydrophobicContact CG-CE 3.85Å; F97-M156 HydrophobicContact CG-CG 3.95Å; F97-M156 HydrophobicContact CZ-CB 4.43Å; F97-M156 HydrophobicContact CZ-CG 3.96Å; A108-M156 HydrophobicContact CB-CE 4.2Å; L110-M156 HydrophobicContact CB-SD 4.47Å; L110-M156 HydrophobicContact CD1-SD 4.1Å; L110-M156 HydrophobicContact CD2-CB 3.93Å; L110-M156 HydrophobicContact CD2-CG 4.2Å; L152-M156 HydrophobicContact CD1-CE 3.86Å; L152-M156 HydrophobicContact CD2-CE 4.16Å; L152-M156 HydrophobicContact CG-CE 3.88Å; L152-M156 HydrophobicContact CG-SD 4.26Å; L152-M156 WeakPolarHBondContact O-CB 3.4Å; L152-M156 WeakPolarHBondContact O-CG 3.49Å; L152-M156 PolarHBondContact O-N 2.8Å; T153-M156 PolarHBondContact O-N 3.42Å; A154-M156 VanDerWaalsContact C-N 3.34Å; A154-M156 PolarHBondContact O-N 3.48Å; M156-A159 PolarHBondContact O-N 3.02Å; M156-L160 VanDerWaalsContact O-CB 3.31Å; M156-L160 WeakPolarHBondContact O-CB 3.41Å; M156-L160 PolarHBondContact O-N 3.33Å
157L91.1Very high87.7Confident0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-69.7-40179.6-71.8168.5000112.4I35 L37 L53 I138 M139 F149 T153 A154 A159 L160 D161I35-L157 HydrophobicContact CD1-CD2 3.81Å; I35-L157 HydrophobicContact CG2-CD2 4.18Å; L37-L157 HydrophobicContact CD1-CD1 4.49Å; L37-L157 HydrophobicContact CD2-CD1 4.25Å; L37-L157 HydrophobicContact CD2-CD2 4.38Å; L53-L157 HydrophobicContact CD1-CG 4.49Å; L53-L157 HydrophobicContact CD2-CD2 4.24Å; I138-L157 HydrophobicContact CG2-CD1 3.92Å; M139-L157 HydrophobicContact CE-CB 3.89Å; F149-L157 HydrophobicContact CD1-CD1 3.98Å; F149-L157 HydrophobicContact CE1-CD1 4.08Å; T153-L157 HydrophobicContact CG2-CD1 3.59Å; T153-L157 HydrophobicContact CG2-CG 4.15Å; T153-L157 WeakPolarHBondContact O-CB 3.37Å; T153-L157 VanDerWaalsContact O-CG 3.25Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.49Å; A154-L157 PolarHBondContact O-N 3.3Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-L160 PolarHBondContact O-N 2.99Å; L157-D161 PolarHBondContact O-N 3.21Å
158I90.8Very high88.1Confident71 Ų7138.9 Ų38.936%0.36419%0.192SC..Hα-helixtrans-63-44.1174.1-67.3164.7000110.2A154 L160 D161 K162A154-I158 VanDerWaalsContact O-CG1 3.29Å; A154-I158 WeakPolarHBondContact O-CG1 3.48Å; A154-I158 PolarHBondContact O-N 3.18Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.48Å; I158-D161 PolarHBondContact O-N 2.93Å; I158-K162 PolarHBondContact O-N 3.33Å
159A91.3Very high88Confident26 Ų2638.9 Ų38.922%0.21520%0.2CC..Hα-helixtrans-65.1-34.6176.600000112.5M94 F97 R155 M156 L157 W163M94-A159 HydrophobicContact CE-CB 3.88Å; F97-A159 HydrophobicContact CE1-CB 3.74Å; F97-A159 HydrophobicContact CZ-CB 3.56Å; R155-A159 WeakPolarHBondContact O-CB 3.41Å; R155-A159 PolarHBondContact O-N 2.84Å; R155-A159 VanDerWaalsContact O-N 3.08Å; M156-A159 PolarHBondContact O-N 3.02Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-W163 VanDerWaalsContact O-CB 3.27Å; A159-W163 WeakPolarHBondContact O-CB 3.41Å; A159-W163 PolarHBondContact O-N 3.43Å
160L91.6Very high87.5Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-69.4-40.4176.9176.462.6000112.5A13 I15 I35 M94 I112 M156 L157 I158 W163 L164A13-L160 HydrophobicContact CB-CD2 3.81Å; I15-L160 HydrophobicContact CD1-CD1 3.67Å; I15-L160 HydrophobicContact CD1-CD2 3.76Å; I15-L160 HydrophobicContact CD1-CG 4.17Å; I15-L160 HydrophobicContact CG1-CD2 4.43Å; I35-L160 HydrophobicContact CD1-CD2 3.5Å; I35-L160 VanDerWaalsContact CD1-CD2 3.5Å; I35-L160 HydrophobicContact CD1-CG 4.48Å; M94-L160 HydrophobicContact CE-CB 4.44Å; M94-L160 HydrophobicContact SD-CB 4.01Å; M94-L160 HydrophobicContact SD-CD1 3.59Å; M94-L160 VanDerWaalsContact SD-CD1 3.59Å; M94-L160 HydrophobicContact SD-CG 4.42Å; I112-L160 HydrophobicContact CD1-CD1 3.64Å; I112-L160 HydrophobicContact CG1-CD1 4.09Å; M156-L160 VanDerWaalsContact O-CB 3.31Å; M156-L160 WeakPolarHBondContact O-CB 3.41Å; M156-L160 PolarHBondContact O-N 3.33Å; L157-L160 PolarHBondContact O-N 2.99Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 3.48Å; L160-W163 HydrophobicContact CD1-CE3 4.14Å; L160-W163 PolarHBondContact O-N 2.97Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.27Å
161D92.1Very high86.7Confident38 Ų3844.6 Ų44.620%0.20323%0.23CC..Hα-helixtrans-59.1-49175.5-176.772000111.1Y28 M139 L157 I158 W163 L164 D165Y28-D161 PolarHBondContact OH-OD1 3.32Å; M139-D161 HydrophobicContact CE-CB 4.49Å; M139-D161 HydrophobicContact CG-CB 4.16Å; M139-D161 HydrophobicContact SD-CB 3.68Å; L157-D161 PolarHBondContact O-N 3.21Å; I158-D161 PolarHBondContact O-N 2.93Å; D161-W163 VanDerWaalsContact C-N 3.34Å; D161-W163 PolarHBondContact O-N 3.09Å; D161-L164 PolarHBondContact O-N 3.1Å; D161-D165 PolarHBondContact O-N 2.82Å; D161-D165 VanDerWaalsContact O-N 3.12Å
162K90.8Very high86Confident133 Ų13344.5 Ų44.558%0.57822%0.224SC*.Hα-helixtrans-61.8-40.6174.2-171.2179.7179.1-1780112.4I158 L164 D165 E166I158-K162 PolarHBondContact O-N 3.33Å; K162-L164 VanDerWaalsContact C-N 3.35Å; K162-L164 PolarHBondContact O-N 3.41Å; K162-D165 WeakPolarHBondContact O-CB 3.24Å; K162-D165 PolarHBondContact O-N 2.83Å; K162-E166 VanDerWaalsContact CE-OE1 3.3Å; K162-E166 WeakPolarHBondContact CE-OE1 3.39Å; K162-E166 WeakPolarHBondContact O-CG 3.41Å; K162-E166 PolarHBondContact O-N 2.85Å
163W91.3Very high85.4Confident32 Ų3243.9 Ų43.912%0.12122%0.222CC..Hα-helixtrans-63.4-40.7178.5-17888.3000111.8M94 I112 A159 L160 D161 E166 R167 L177M94-W163 HydrophobicContact CG-CB 4.45Å; M94-W163 HydrophobicContact CG-CD2 4.01Å; M94-W163 HydrophobicContact CG-CG 3.86Å; M94-W163 HydrophobicContact SD-CB 4.08Å; M94-W163 HydrophobicContact SD-CD2 4.35Å; M94-W163 HydrophobicContact SD-CG 4.08Å; I112-W163 HydrophobicContact CD1-CD2 4.16Å; I112-W163 HydrophobicContact CD1-CE3 3.63Å; I112-W163 HydrophobicContact CD1-CH2 3.6Å; I112-W163 HydrophobicContact CD1-CZ2 4.13Å; I112-W163 HydrophobicContact CD1-CZ3 3.33Å; A159-W163 VanDerWaalsContact O-CB 3.27Å; A159-W163 WeakPolarHBondContact O-CB 3.41Å; A159-W163 PolarHBondContact O-N 3.43Å; L160-W163 HydrophobicContact CD1-CE3 4.14Å; L160-W163 PolarHBondContact O-N 2.97Å; D161-W163 VanDerWaalsContact C-N 3.34Å; D161-W163 PolarHBondContact O-N 3.09Å; W163-E166 PolarHBondContact O-N 2.82Å; W163-R167 HydrophobicContact CD2-CG 3.92Å; W163-R167 HydrophobicContact CE3-CG 3.92Å; W163-R167 HydrophobicContact CH2-CG 3.74Å; W163-R167 HydrophobicContact CZ2-CG 3.73Å; W163-R167 HydrophobicContact CZ3-CG 3.83Å; W163-R167 VanDerWaalsContact O-CG 3.31Å; W163-R167 WeakPolarHBondContact O-CG 3.36Å; W163-R167 PolarHBondContact O-N 2.63Å; W163-L177 HydrophobicContact CH2-CD1 4.32Å; W163-L177 HydrophobicContact CH2-CD2 4.34Å; W163-L177 HydrophobicContact CZ3-CD2 4.2Å
164L87.9Confident85.1Confident0 Ų043.9 Ų43.90%022%0.221CC..Hα-helixtrans-64.5-41175.8-75.1170.8000111.9Y28 Y33 L135 L160 D161 K162 R167 H168 I174Y28-L164 HydrophobicContact CD2-CB 4.32Å; Y28-L164 HydrophobicContact CE2-CB 3.65Å; Y33-L164 HydrophobicContact CD2-CD1 4.26Å; Y33-L164 HydrophobicContact CG-CD1 4.32Å; L135-L164 HydrophobicContact CD2-CD1 3.74Å; L160-L164 HydrophobicContact CD1-CG 4.38Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.27Å; D161-L164 PolarHBondContact O-N 3.1Å; K162-L164 VanDerWaalsContact C-N 3.35Å; K162-L164 PolarHBondContact O-N 3.41Å; L164-R167 PolarHBondContact O-N 2.99Å; L164-H168 PolarHBondContact O-CD2 3.25Å; L164-H168 PolarHBondContact O-N 3.35Å; L164-I174 HydrophobicContact CD2-CD1 4.18Å
165D89.4Confident84.4Confident77 Ų7744.6 Ų44.641%0.41223%0.226SC..Hα-helixtrans-58-51.6173.9-170.327.4000111.4Y28 D161 K162 R167 H168 T169Y28-D165 WeakPolarHBondContact CB-OD1 3.46Å; Y28-D165 HydrophobicContact CD1-CB 3.46Å; Y28-D165 VanDerWaalsContact CD1-CB 3.46Å; Y28-D165 WeakPolarHBondContact CD1-OD1 3.48Å; Y28-D165 HydrophobicContact CE1-CB 3.88Å; Y28-D165 HydrophobicContact CG-CB 3.89Å; D161-D165 PolarHBondContact O-N 2.82Å; D161-D165 VanDerWaalsContact O-N 3.12Å; K162-D165 WeakPolarHBondContact O-CB 3.24Å; K162-D165 PolarHBondContact O-N 2.83Å; D165-R167 VanDerWaalsContact C-N 3.28Å; D165-R167 PolarHBondContact O-N 3.46Å; D165-H168 PolarHBondContact O-N 3.14Å; D165-T169 PolarHBondContact O-N 3.36Å
166E86.3Confident83.6Confident84 Ų8442.5 Ų42.539%0.39322%0.219SC..Hα-helixtrans-57.2-40.5175.5-71.8172.8-170.500112K162 W163 T169K162-E166 VanDerWaalsContact CE-OE1 3.3Å; K162-E166 WeakPolarHBondContact CE-OE1 3.39Å; K162-E166 WeakPolarHBondContact O-CG 3.41Å; K162-E166 PolarHBondContact O-N 2.85Å; W163-E166 PolarHBondContact O-N 2.82Å; E166-T169 PolarHBondContact O-N 3.28Å; E166-T169 PolarHBondContact O-OG1 3.24Å
167R83.3Confident82.9Confident68 Ų6842.9 Ų42.926%0.25722%0.22SC..Hα-helixtrans-63.4-42.9176.1-71.2-54115.2156.16.3111.5W163 L164 D165 T169 Q170 S173 I174W163-R167 HydrophobicContact CD2-CG 3.92Å; W163-R167 HydrophobicContact CE3-CG 3.92Å; W163-R167 HydrophobicContact CH2-CG 3.74Å; W163-R167 HydrophobicContact CZ2-CG 3.73Å; W163-R167 HydrophobicContact CZ3-CG 3.83Å; W163-R167 VanDerWaalsContact O-CG 3.31Å; W163-R167 WeakPolarHBondContact O-CG 3.36Å; W163-R167 PolarHBondContact O-N 2.63Å; L164-R167 PolarHBondContact O-N 2.99Å; D165-R167 VanDerWaalsContact C-N 3.28Å; D165-R167 PolarHBondContact O-N 3.46Å; R167-T169 PolarHBondContact O-N 3.49Å; R167-Q170 WeakPolarHBondContact O-CA 3.39Å; R167-Q170 WeakPolarHBondContact O-CB 3.45Å; R167-Q170 PolarHBondContact O-N 2.92Å; R167-S173 VanDerWaalsContact C-OG 3.23Å; R167-S173 PolarHBondContact O-OG 2.82Å; R167-I174 HydrophobicContact CB-CD1 3.75Å; R167-I174 HydrophobicContact CB-CG1 4.29Å
168H83.3Confident82.2Confident9 Ų944 Ų444%0.04223%0.225CC..Hα-helixtrans-59.5-28.1179.2-92.1-87.5000114.1S25 Y28 Y33 L164 D165 Q170S25-H168 PolarHBondContact O-CE1 3.44Å; S25-H168 PolarHBondContact O-ND1 2.95Å; Y28-H168 AromaticContact CD2-CD2 3.49Å; Y28-H168 VanDerWaalsContact CD2-CD2 3.49Å; Y28-H168 WeakPolarHBondContact CD2-CD2 3.28Å; Y28-H168 AromaticContact CD2-NE2 3.91Å; Y33-H168 AromaticContact CE2-NE2 3.54Å; Y33-H168 AromaticContact CZ-NE2 3.5Å; Y33-H168 PolarHBondContact OH-CE1 3.34Å; Y33-H168 PolarHBondContact OH-NE2 2.93Å; L164-H168 PolarHBondContact O-CD2 3.25Å; L164-H168 PolarHBondContact O-N 3.35Å; D165-H168 PolarHBondContact O-N 3.14Å; H168-Q170 PolarHBondContact O-N 2.81Å
169T78.9Confident81.3Confident105 Ų10545 Ų4564%0.64422%0.224SC*.Hα-helixtrans-67.7-23.6172.973.50000113.2D165 E166 R167D165-T169 PolarHBondContact O-N 3.36Å; E166-T169 PolarHBondContact O-N 3.28Å; E166-T169 PolarHBondContact O-OG1 3.24Å; R167-T169 PolarHBondContact O-N 3.49Å
170Q74.9Confident79.9Confident90 Ų9046.3 Ų46.342%0.42123%0.231SC..SBendtrans-88.8120.2178.7-60.9177.6-4.900110R167 H168 H172 S173R167-Q170 WeakPolarHBondContact O-CA 3.39Å; R167-Q170 WeakPolarHBondContact O-CB 3.45Å; R167-Q170 PolarHBondContact O-N 2.92Å; H168-Q170 PolarHBondContact O-N 2.81Å; Q170-H172 PolarHBondContact O-N 2.85Å; Q170-S173 PolarHBondContact O-N 2.85Å; Q170-S173 PolarHBondContact O-OG 2.79Å
171S68.7Low78.5Confident59 Ų5947.6 Ų47.641%0.41324%0.24SC..THydrogen-bonded Turntrans-54.6121.9179.1-160.20000109.9R26 S173R26-S171 PolarHBondContact NH2-OG 3.01Å; S171-S173 VanDerWaalsContact C-N 3.34Å; S171-S173 PolarHBondContact O-N 2.91Å
172H69.1Low76.8Confident71 Ų7149 Ų4933%0.32925%0.251SS..THydrogen-bonded Turntrans73.24.6171.5-41.1-55.1000118.9Q170 P175 A176 K224Q170-H172 PolarHBondContact O-N 2.85Å; H172-P175 WeakPolarHBondContact O-CD 3.2Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.47Å; H172-A176 PolarHBondContact O-N 2.87Å; H172-K224 HydrophobicContact CB-CB 3.9Å; H172-K224 HydrophobicContact CB-CD 3.41Å; H172-K224 VanDerWaalsContact CB-CD 3.41Å; H172-K224 HydrophobicContact CB-CG 3.42Å; H172-K224 VanDerWaalsContact CB-CG 3.42Å; H172-K224 WeakPolarHBondContact CD2-CE 3.47Å; H172-K224 PolarHBondContact CE1-NZ 3.43Å; H172-K224 VanDerWaalsContact CG-NZ 3.3Å; H172-K224 VanDerWaalsContact ND1-CE 3.32Å; H172-K224 WeakPolarHBondContact ND1-CE 3.35Å; H172-K224 PolarHBondContact ND1-NZ 3.05Å
173S73.7Confident75.1Confident10 Ų1048.1 Ų48.17%0.0725%0.252CS..Hα-helixtrans-62-42.6175.966.50000112.8R167 Q170 S171 A176 L177R167-S173 VanDerWaalsContact C-OG 3.23Å; R167-S173 PolarHBondContact O-OG 2.82Å; Q170-S173 PolarHBondContact O-N 2.85Å; Q170-S173 PolarHBondContact O-OG 2.79Å; S171-S173 VanDerWaalsContact C-N 3.34Å; S171-S173 PolarHBondContact O-N 2.91Å; S173-A176 WeakPolarHBondContact O-CB 3.37Å; S173-A176 PolarHBondContact O-N 2.8Å; S173-L177 PolarHBondContact O-N 3.25Å
174I82.5Confident73.6Confident3 Ų350.6 Ų50.62%0.01527%0.265CS..Hα-helixtrans-69.4-47.7-179.9-64.7-64.3000111.3L23 Y33 L164 R167 A176 L177 F178L23-I174 HydrophobicContact CB-CG2 4.31Å; L23-I174 HydrophobicContact CD2-CG2 3.86Å; Y33-I174 WeakPolarHBondContact OH-CG2 3.36Å; L164-I174 HydrophobicContact CD2-CD1 4.18Å; R167-I174 HydrophobicContact CB-CD1 3.75Å; R167-I174 HydrophobicContact CB-CG1 4.29Å; I174-A176 PolarHBondContact O-N 3.09Å; I174-L177 WeakPolarHBondContact O-CB 3.3Å; I174-L177 PolarHBondContact O-N 3.37Å; I174-F178 HydrophobicContact CG2-CE2 4.37Å; I174-F178 WeakPolarHBondContact O-CD2 3.38Å
175P74.5Confident72.2Confident14 Ų1452.6 Ų52.69%0.09127%0.272CS..Hα-helixtrans-56.1-37.4169.1-2735000113.1L23 N24 H172 R179L23-P175 WeakPolarHBondContact O-CD 3.46Å; L23-P175 VanDerWaalsContact O-CG 3.23Å; L23-P175 WeakPolarHBondContact O-CG 3.45Å; N24-P175 VanDerWaalsContact OD1-CG 3.24Å; N24-P175 WeakPolarHBondContact OD1-CG 3.37Å; H172-P175 WeakPolarHBondContact O-CD 3.2Å; P175-R179 VanDerWaalsContact O-CG 3.3Å; P175-R179 WeakPolarHBondContact O-CG 3.47Å; P175-R179 PolarHBondContact O-N 2.99Å
176A71.4Confident70.4Confident3 Ų354.7 Ų54.73%0.02528%0.282CS..Hα-helixtrans-67.8-37.2177.800000112.6R90 H172 S173 I174 F178 R179 K224R90-A176 PolarHBondContact NH1-O 2.91Å; H172-A176 VanDerWaalsContact O-CB 3.29Å; H172-A176 WeakPolarHBondContact O-CB 3.47Å; H172-A176 PolarHBondContact O-N 2.87Å; S173-A176 WeakPolarHBondContact O-CB 3.37Å; S173-A176 PolarHBondContact O-N 2.8Å; I174-A176 PolarHBondContact O-N 3.09Å; A176-F178 VanDerWaalsContact C-N 3.25Å; A176-F178 PolarHBondContact O-N 3.3Å; A176-R179 PolarHBondContact O-N 3.12Å; A176-K224 HydrophobicContact CB-CB 4.49Å; A176-K224 VanDerWaalsContact CB-O 3.31Å; A176-K224 WeakPolarHBondContact CB-O 3.32Å
177L77.4Confident68.7Low7 Ų758.8 Ų58.84%0.03730%0.299CS..Hα-helixtrans-55.3-40.4176.7-173.862.2000111.8V92 I112 P114 W163 S173 I174V92-L177 HydrophobicContact CG2-CD1 3.98Å; I112-L177 HydrophobicContact CG2-CD1 4.38Å; P114-L177 HydrophobicContact CB-CG 4.18Å; P114-L177 WeakPolarHBondContact CB-O 3.5Å; P114-L177 HydrophobicContact CG-CD1 4.29Å; P114-L177 HydrophobicContact CG-CG 4.34Å; P114-L177 WeakPolarHBondContact CG-O 2.98Å; W163-L177 HydrophobicContact CH2-CD1 4.32Å; W163-L177 HydrophobicContact CH2-CD2 4.34Å; W163-L177 HydrophobicContact CZ3-CD2 4.2Å; S173-L177 PolarHBondContact O-N 3.25Å; I174-L177 WeakPolarHBondContact O-CB 3.3Å; I174-L177 PolarHBondContact O-N 3.37Å
178F77.6Confident66.7Low24 Ų2460.8 Ų60.811%0.10532%0.319CS..THydrogen-bonded Turntrans-93.77.5-177.8-64.6-79.6000115P17 L23 Y33 P114 V116 I174 A176P17-F178 HydrophobicContact CG-CE1 4.43Å; L23-F178 HydrophobicContact CD1-CB 4.05Å; L23-F178 HydrophobicContact CD1-CD2 3.95Å; L23-F178 HydrophobicContact CD1-CG 4.14Å; L23-F178 HydrophobicContact CD2-CD2 3.64Å; L23-F178 HydrophobicContact CD2-CE2 3.74Å; L23-F178 HydrophobicContact CD2-CG 4.48Å; L23-F178 HydrophobicContact CG-CD2 4.44Å; Y33-F178 HydrophobicContact CE1-CE2 4.27Å; Y33-F178 HydrophobicContact CE1-CZ 4.33Å; P114-F178 HydrophobicContact CB-CD1 3.56Å; P114-F178 HydrophobicContact CB-CE1 3.6Å; P114-F178 HydrophobicContact CB-CG 4.32Å; P114-F178 HydrophobicContact CB-CZ 4.4Å; V116-F178 HydrophobicContact CG2-CB 4.04Å; V116-F178 HydrophobicContact CG2-CD1 4Å; V116-F178 HydrophobicContact CG2-CG 4.47Å; I174-F178 HydrophobicContact CG2-CE2 4.37Å; I174-F178 WeakPolarHBondContact O-CD2 3.38Å; A176-F178 VanDerWaalsContact C-N 3.25Å; A176-F178 PolarHBondContact O-N 3.3Å
179R71Confident64.7Low91 Ų9165 Ų6534%0.34334%0.342SS..SBendtrans-85.4160.7175.2-80172.2-172.9-160.5-7.5112.4P175 A176P175-R179 VanDerWaalsContact O-CG 3.3Å; P175-R179 WeakPolarHBondContact O-CG 3.47Å; P175-R179 PolarHBondContact O-N 2.99Å; A176-R179 PolarHBondContact O-N 3.12Å
180P62.4Low62.8Low55 Ų5567 Ų6736%0.35735%0.354SS..PPolyproline II helixtrans-54154.2168.6-23.133.8000112E184 R185P180-E184 HydrophobicContact CB-CB 4.15Å; P180-E184 WeakPolarHBondContact CB-OE2 3.46Å; P180-R185 HydrophobicContact CB-CG 4.23Å
181S61.8Low61.3Low26 Ų2668.1 Ų68.118%0.18236%0.361CS..PPolyproline II helixtrans-58.1153.2-177.1730000111.7L183 E184 R185S181-L183 PolarHBondContact O-N 2.68Å; S181-E184 PolarHBondContact N-OE2 2.95Å; S181-E184 PolarHBondContact O-N 3.38Å; S181-E184 WeakPolarHBondContact OG-CG 3.44Å; S181-E184 PolarHBondContact OG-N 2.66Å; S181-R185 PolarHBondContact O-N 3.29Å
182P55.8Low60.2Low67 Ų6769 Ų6944%0.43536%0.361SS..Hα-helixtrans-51.2-39.9175.5-27.735.4000113.1R185 I186P182-R185 PolarHBondContact O-N 2.93Å; P182-I186 WeakPolarHBondContact O-CG1 3.25Å; P182-I186 PolarHBondContact O-N 3.21Å
183L56.6Low59Low115 Ų11566.4 Ų66.460%0.60235%0.351SS*.Hα-helixtrans-64.9-41.2177.6-173.866.3000112.9S181 R185 K187S181-L183 PolarHBondContact O-N 2.68Å; L183-R185 VanDerWaalsContact C-N 3.35Å; L183-K187 PolarHBondContact O-N 3.1Å
184E58.7Low57.6Low84 Ų8466.3 Ų66.339%0.39335%0.351SS..Hα-helixtrans-66.9-37.3174.1-74.4-178.2147.200111.7P180 S181 K187 T188P180-E184 HydrophobicContact CB-CB 4.15Å; P180-E184 WeakPolarHBondContact CB-OE2 3.46Å; S181-E184 PolarHBondContact N-OE2 2.95Å; S181-E184 PolarHBondContact O-N 3.38Å; S181-E184 WeakPolarHBondContact OG-CG 3.44Å; S181-E184 PolarHBondContact OG-N 2.66Å; E184-K187 WeakPolarHBondContact O-CB 3.1Å; E184-K187 PolarHBondContact O-N 3.17Å; E184-T188 PolarHBondContact O-N 2.69Å; E184-T188 PolarHBondContact O-OG1 2.94Å
185R58.8Low56Low42 Ų4273.1 Ų73.116%0.15838%0.377CS..Hα-helixtrans-65.3-40.1178.4-69.8-169.3-62.6138.80.1112.1P180 S181 P182 L183 K187 T188 N189 E223P180-R185 HydrophobicContact CB-CG 4.23Å; S181-R185 PolarHBondContact O-N 3.29Å; P182-R185 PolarHBondContact O-N 2.93Å; L183-R185 VanDerWaalsContact C-N 3.35Å; R185-K187 PolarHBondContact O-N 3.04Å; R185-T188 WeakPolarHBondContact CA-OG1 3.32Å; R185-T188 CarbonylContact O-C 3.52Å; R185-T188 PolarHBondContact O-N 3Å; R185-T188 PolarHBondContact O-OG1 3.36Å; R185-N189 WeakPolarHBondContact O-CB 3.32Å; R185-N189 PolarHBondContact O-N 3.38Å; R185-E223 PolarHBondContact NH1-O 3.37Å
186I51.7Low54.6Low121 Ų12174.3 Ų74.362%0.62139%0.388SS*.Hα-helixtrans-58.9-37.1174.7-69.2164.8000111.3P182 T188P182-I186 WeakPolarHBondContact O-CG1 3.25Å; P182-I186 PolarHBondContact O-N 3.21Å; I186-T188 PolarHBondContact O-N 3.17Å
187K50.4Low53.6Low170 Ų17079.5 Ų79.574%0.73942%0.415SS*.Hα-helixtrans-68-21.7176.1-66.5178.4179.5-176.30113.1L183 E184 R185L183-K187 PolarHBondContact O-N 3.1Å; E184-K187 WeakPolarHBondContact O-CB 3.1Å; E184-K187 PolarHBondContact O-N 3.17Å; R185-K187 PolarHBondContact O-N 3.04Å
188T41.8Very low52Low110 Ų11085.6 Ų85.668%0.67544%0.443SS*.Hα-helixtrans-107-9.6-175.558.50000114.5E184 R185 I186E184-T188 PolarHBondContact O-N 2.69Å; E184-T188 PolarHBondContact O-OG1 2.94Å; R185-T188 WeakPolarHBondContact CA-OG1 3.32Å; R185-T188 CarbonylContact O-C 3.52Å; R185-T188 PolarHBondContact O-N 3Å; R185-T188 PolarHBondContact O-OG1 3.36Å; I186-T188 PolarHBondContact O-N 3.17Å
189N41.9Very low50.1Low98 Ų9888.1 Ų88.152%0.52446%0.461SS..  trans-123.6122-176-127-1.3000110.3R185R185-N189 WeakPolarHBondContact O-CB 3.32Å; R185-N189 PolarHBondContact O-N 3.38Å
190V38.2Very low48.9Very low148 Ų14887.5 Ų87.590%0.89748%0.483SS*.  trans-96.5-2.3-172.7-170.10000112.4
191I43.6Very low48Very low113 Ų11390.5 Ų90.558%0.57949%0.493SS*.SBendtrans-114.2129.5-174.2-56.1174.5000109P193I191-P193 VanDerWaalsContact O-CD 3.31Å; I191-P193 WeakPolarHBondContact O-CD 3.39Å
192N45.5Very low46.8Very low77 Ų7794.5 Ų94.541%0.41252%0.516SS..  trans-68.8116.9167.5176.6-12000108.1A194 Y195N192-A194 PolarHBondContact O-N 3.21Å; N192-A194 VanDerWaalsContact O-N 3.07Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 3.05Å; N192-Y195 HydrophobicContact CB-CD2 3.84Å; N192-Y195 HydrophobicContact CB-CE2 4.37Å; N192-Y195 WeakPolarHBondContact ND2-CE2 3.28Å; N192-Y195 PolarHBondContact O-N 3.5Å
193P44.1Very low46Very low16 Ų1699.6 Ų99.610%0.10453%0.534CS..G310 helixtrans-58.7-24.8-174.9-17.625.7000113.7I191 Y195 A196 L222 E223I191-P193 VanDerWaalsContact O-CD 3.31Å; I191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-Y195 PolarHBondContact O-N 2.74Å; P193-A196 PolarHBondContact O-N 3.39Å; P193-A196 VanDerWaalsContact O-N 3.12Å; P193-L222 HydrophobicContact CB-CB 4.01Å; P193-L222 WeakPolarHBondContact O-CD1 3.44Å; P193-E223 HydrophobicContact CB-CG 4.31Å; P193-E223 HydrophobicContact CG-CB 4.29Å; P193-E223 VanDerWaalsContact CG-CD 3.48Å; P193-E223 HydrophobicContact CG-CG 3.58Å; P193-E223 WeakPolarHBondContact CG-OE1 3.27Å
194A44.9Very low44.9Very low9 Ų999.4 Ų99.47%0.07454%0.542CS..G310 helixtrans-57.5-20.9173.900000113.3N192 I215 M219N192-A194 PolarHBondContact O-N 3.21Å; N192-A194 VanDerWaalsContact O-N 3.07Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 3.05Å; A194-I215 HydrophobicContact CB-CG2 3.88Å; A194-M219 HydrophobicContact CB-CG 3.97Å; A194-M219 HydrophobicContact CB-SD 4.15Å
195Y48.1Very low43.8Very low145 Ų14598 Ų9857%0.56954%0.542SS*.G310 helixtrans-119.613.4-178.1-51.8-79.4000112.7N192 P193 I197N192-Y195 HydrophobicContact CB-CD2 3.84Å; N192-Y195 HydrophobicContact CB-CE2 4.37Å; N192-Y195 WeakPolarHBondContact ND2-CE2 3.28Å; N192-Y195 PolarHBondContact O-N 3.5Å; P193-Y195 PolarHBondContact O-N 2.74Å; Y195-I197 PolarHBondContact O-N 2.87Å
196A45.2Very low42.7Very low39 Ų39103.2 Ų103.232%0.32257%0.572SS.*PPolyproline II helixtrans-72.5124.3171.500000109.2P193P193-A196 PolarHBondContact O-N 3.39Å; P193-A196 VanDerWaalsContact O-N 3.12Å
197I50Low42.2Very low113 Ų113104.5 Ų104.558%0.57958%0.575SS**PPolyproline II helixtrans-79.7129.2179.2-59.2170.2000108Y195 Q201Y195-I197 PolarHBondContact O-N 2.87Å; I197-Q201 HydrophobicContact CG2-CB 4.14Å
198E44.9Very low41.8Very low135 Ų135105.4 Ų105.463%0.63159%0.585SS**PPolyproline II helixtrans-71143.6169.4-75-171.617600110G200 Q201E198-G200 PolarHBondContact O-N 3.28Å; E198-G200 VanDerWaalsContact O-N 3.08Å; E198-Q201 PolarHBondContact O-N 2.86Å
199P35.9Very low41.9Very low76 Ų76103.2 Ų103.249%0.49458%0.583SS.*THydrogen-bonded Turntrans-60117.9-177.124.8-33.5000110.1N735P199-N735 WeakPolarHBondContact CB-OD1 3.33Å; P199-N735 PolarHBondContact O-ND2 3.17Å
200G47.7Very low42.1Very low78 Ų78103.2 Ų103.280%0.80458%0.577SS**THydrogen-bonded Turntrans124.5-8.2177.600000116.6E198E198-G200 PolarHBondContact O-N 3.28Å; E198-G200 VanDerWaalsContact O-N 3.08Å
201Q41.9Very low42.6Very low119 Ų11999.9 Ų99.956%0.55656%0.557SS**  trans-98.1131.8174.7-69.9-169.9-18.600112.2I197 E198I197-Q201 HydrophobicContact CG2-CB 4.14Å; E198-Q201 PolarHBondContact O-N 2.86Å
202T38Very low42.6Very low110 Ų11096.7 Ų96.768%0.67555%0.548SS*.  trans-74.8146.7177.336.70000112.2S204T202-S204 PolarHBondContact O-N 2.82Å
203E38.3Very low42.8Very low173 Ų17398.7 Ų98.781%0.80856%0.557SS**THydrogen-bonded Turntrans-57.3-7.7-175.3-70.3-176.3151.500115.8S205E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 3.47Å
204S33.1Very low43.3Very low111 Ų111102.2 Ų102.278%0.77657%0.573SS**THydrogen-bonded Turntrans-78-3.7-175.866.50000114.8T202T202-S204 PolarHBondContact O-N 2.82Å
205S35.5Very low43.6Very low54 Ų54104 Ų10438%0.37858%0.58SS.*  trans-116.953-17958.10000113E203 H207E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 3.47Å; S205-H207 PolarHBondContact O-N 3.4Å
206L37Very low43.5Very low153 Ų153100.1 Ų100.180%0.80157%0.566SS**  trans-69.273.8153-82.1162.1000108.7M208L206-M208 PolarHBondContact O-N 2.82Å; L206-M208 VanDerWaalsContact O-N 3.09Å
207H40.1Very low44Very low147 Ų147101.6 Ų101.668%0.68158%0.575SS**  trans-72.399.9167.6-82.2-15.3000108.9S205 G209S205-H207 PolarHBondContact O-N 3.4Å; H207-G209 VanDerWaalsContact C-N 3.27Å; H207-G209 PolarHBondContact O-N 2.82Å
208M42.2Very low44.1Very low190 Ų19099.5 Ų99.594%0.93656%0.561SS**THydrogen-bonded Turntrans-55.797.2147.5-84.5-74.2-75.300107.5L206L206-M208 PolarHBondContact O-N 2.82Å; L206-M208 VanDerWaalsContact O-N 3.09Å
209G43.2Very low44.3Very low63 Ų6396.4 Ų96.465%0.64955%0.548SS*.THydrogen-bonded Turntrans178-1.2-175.300000116.9H207 T211H207-G209 VanDerWaalsContact C-N 3.27Å; H207-G209 PolarHBondContact O-N 2.82Å; G209-T211 PolarHBondContact O-N 2.92Å
210Y45.7Very low44.9Very low99 Ų9996.8 Ų96.839%0.38855%0.545SS..  trans-70.5130.3173.6-68.4-69.1000111E214 I215 K218Y210-E214 HydrophobicContact CD1-CB 4.05Å; Y210-I215 VanDerWaalsContact CB-CG1 3.41Å; Y210-I215 HydrophobicContact CG-CG1 4.33Å; Y210-K218 HydrophobicContact CE1-CD 4.48Å; Y210-K218 VanDerWaalsContact CZ-NZ 3.32Å; Y210-K218 PolarHBondContact OH-NZ 3.16Å
211T49.2Very low45.1Very low77 Ų7796.1 Ų96.147%0.47253%0.532SS..  trans-66.3153.5168.862.60000110.2G209 L213 E214 I215G209-T211 PolarHBondContact O-N 2.92Å; T211-L213 PolarHBondContact O-N 2.69Å; T211-E214 WeakPolarHBondContact CB-OE2 3.18Å; T211-E214 PolarHBondContact N-OE2 2.88Å; T211-E214 PolarHBondContact O-N 3.3Å; T211-E214 VanDerWaalsContact OG1-CD 3.25Å; T211-E214 VanDerWaalsContact OG1-CG 3.27Å; T211-E214 WeakPolarHBondContact OG1-CG 3.33Å; T211-E214 PolarHBondContact OG1-N 3.44Å; T211-E214 PolarHBondContact OG1-OE2 2.8Å; T211-I215 PolarHBondContact O-N 2.88Å
212A44.8Very low45.2Very low47 Ų4794 Ų9439%0.38852%0.524SS..Hα-helixtrans-40.2-39.8169.100000114K216 F234A212-K216 WeakPolarHBondContact O-CB 3.3Å; A212-K216 PolarHBondContact O-N 3.38Å; A212-K216 VanDerWaalsContact O-N 3.11Å; A212-F234 HydrophobicContact CB-CD1 3.95Å; A212-F234 HydrophobicContact CB-CE1 3.1Å; A212-F234 HydrophobicContact CB-CE2 4.44Å; A212-F234 HydrophobicContact CB-CZ 3.39Å
213L49.1Very low45.7Very low118 Ų11891.1 Ų91.162%0.61850%0.503SS*.Hα-helixtrans-77.1-33.7-176.9-157.175000112.9T211 S217T211-L213 PolarHBondContact O-N 2.69Å; L213-S217 WeakPolarHBondContact O-CB 3.28Å; L213-S217 PolarHBondContact O-N 3.25Å; L213-S217 PolarHBondContact O-OG 2.8Å
214E53.9Low46.2Very low91 Ų9184.9 Ų84.943%0.42547%0.473SS..Hα-helixtrans-76-41.1177.2-70.9164.2142.600111.5Y210 T211 K216 S217 K218Y210-E214 HydrophobicContact CD1-CB 4.05Å; T211-E214 WeakPolarHBondContact CB-OE2 3.18Å; T211-E214 PolarHBondContact N-OE2 2.88Å; T211-E214 PolarHBondContact O-N 3.3Å; T211-E214 VanDerWaalsContact OG1-CD 3.25Å; T211-E214 VanDerWaalsContact OG1-CG 3.27Å; T211-E214 WeakPolarHBondContact OG1-CG 3.33Å; T211-E214 PolarHBondContact OG1-N 3.44Å; T211-E214 PolarHBondContact OG1-OE2 2.8Å; E214-K216 VanDerWaalsContact C-N 3.31Å; E214-K216 PolarHBondContact O-N 3.11Å; E214-S217 PolarHBondContact O-N 3.25Å; E214-K218 WeakPolarHBondContact O-CB 3.49Å; E214-K218 PolarHBondContact O-N 3.32Å
215I51.3Low46.6Very low46 Ų4681.5 Ų81.524%0.23645%0.452CS..Hα-helixtrans-60.9-45172.3-61.8179.7000109.7A194 Y210 T211 S217 K218 M219A194-I215 HydrophobicContact CB-CG2 3.88Å; Y210-I215 VanDerWaalsContact CB-CG1 3.41Å; Y210-I215 HydrophobicContact CG-CG1 4.33Å; T211-I215 PolarHBondContact O-N 2.88Å; I215-S217 PolarHBondContact O-N 2.81Å; I215-K218 PolarHBondContact O-N 2.99Å; I215-M219 HydrophobicContact CG2-CG 4.18Å; I215-M219 HydrophobicContact CG2-SD 3.89Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.31Å; I215-M219 WeakPolarHBondContact O-CG 3.31Å; I215-M219 PolarHBondContact O-N 3.02Å
216K46.5Very low46.9Very low63 Ų6382.2 Ų82.227%0.27445%0.452SS..Hα-helixtrans-59.3-46.6175.1178.7-176.4175.4-171.50111.8A212 E214 K218 M219 L220 Y230A212-K216 WeakPolarHBondContact O-CB 3.3Å; A212-K216 PolarHBondContact O-N 3.38Å; A212-K216 VanDerWaalsContact O-N 3.11Å; E214-K216 VanDerWaalsContact C-N 3.31Å; E214-K216 PolarHBondContact O-N 3.11Å; K216-K218 VanDerWaalsContact C-N 3.34Å; K216-K218 PolarHBondContact O-N 3.28Å; K216-M219 PolarHBondContact O-N 2.78Å; K216-L220 HydrophobicContact CG-CD1 3.88Å; K216-L220 HydrophobicContact CG-CG 4.46Å; K216-L220 VanDerWaalsContact O-CB 3.29Å; K216-L220 WeakPolarHBondContact O-CB 3.22Å; K216-L220 WeakPolarHBondContact O-CD1 3.49Å; K216-L220 WeakPolarHBondContact O-CG 3.41Å; K216-L220 PolarHBondContact O-N 3.35Å; K216-Y230 WeakPolarHBondContact CE-OH 3.41Å; K216-Y230 PolarHBondContact NZ-OH 2.68Å
217S54.8Low47Very low71 Ų7180.4 Ų80.450%0.49745%0.447SS..Hα-helixtrans-62.2-41.3177.5-61.30000111.9L213 E214 I215 A221L213-S217 WeakPolarHBondContact O-CB 3.28Å; L213-S217 PolarHBondContact O-N 3.25Å; L213-S217 PolarHBondContact O-OG 2.8Å; E214-S217 PolarHBondContact O-N 3.25Å; I215-S217 PolarHBondContact O-N 2.81Å; S217-A221 VanDerWaalsContact O-CB 3.3Å; S217-A221 WeakPolarHBondContact O-CB 3.43Å; S217-A221 PolarHBondContact O-N 3.2Å
218K53.1Low47.1Very low68 Ų6876.6 Ų76.630%0.29644%0.436SS..Hα-helixtrans-67.4-43.8175.1-84.1-171168.1-165.80113.1Y210 E214 I215 K216 L220 A221 L222Y210-K218 HydrophobicContact CE1-CD 4.48Å; Y210-K218 VanDerWaalsContact CZ-NZ 3.32Å; Y210-K218 PolarHBondContact OH-NZ 3.16Å; E214-K218 WeakPolarHBondContact O-CB 3.49Å; E214-K218 PolarHBondContact O-N 3.32Å; I215-K218 PolarHBondContact O-N 2.99Å; K216-K218 VanDerWaalsContact C-N 3.34Å; K216-K218 PolarHBondContact O-N 3.28Å; K218-L220 VanDerWaalsContact C-N 3.35Å; K218-A221 PolarHBondContact O-N 3.37Å; K218-L222 HydrophobicContact CB-CD1 4.37Å; K218-L222 VanDerWaalsContact O-CB 3.26Å; K218-L222 WeakPolarHBondContact O-CB 3.41Å; K218-L222 WeakPolarHBondContact O-CD1 3.35Å; K218-L222 WeakPolarHBondContact O-CG 3.42Å; K218-L222 PolarHBondContact O-N 2.78Å
219M48.8Very low46.9Very low71 Ų7173.7 Ų73.735%0.3543%0.429SS..Hα-helixtrans-66.1-38177.2-71.3-176.697.300111.8A194 I215 K216 E223A194-M219 HydrophobicContact CB-CG 3.97Å; A194-M219 HydrophobicContact CB-SD 4.15Å; I215-M219 HydrophobicContact CG2-CG 4.18Å; I215-M219 HydrophobicContact CG2-SD 3.89Å; I215-M219 WeakPolarHBondContact O-CB 3.49Å; I215-M219 VanDerWaalsContact O-CG 3.31Å; I215-M219 WeakPolarHBondContact O-CG 3.31Å; I215-M219 PolarHBondContact O-N 3.02Å; K216-M219 PolarHBondContact O-N 2.78Å; M219-E223 WeakPolarHBondContact O-CB 3.21Å; M219-E223 PolarHBondContact O-N 3.09Å
220L49.6Very low46.6Very low83 Ų8377.6 Ų77.644%0.43543%0.425SS..Hα-helixtrans-64.2-39.5172.4-72.2169.9000111.6K216 K218 K224K216-L220 HydrophobicContact CG-CD1 3.88Å; K216-L220 HydrophobicContact CG-CG 4.46Å; K216-L220 VanDerWaalsContact O-CB 3.29Å; K216-L220 WeakPolarHBondContact O-CB 3.22Å; K216-L220 WeakPolarHBondContact O-CD1 3.49Å; K216-L220 WeakPolarHBondContact O-CG 3.41Å; K216-L220 PolarHBondContact O-N 3.35Å; K218-L220 VanDerWaalsContact C-N 3.35Å; L220-K224 PolarHBondContact O-N 3.21Å
221A50.6Low46.2Very low65 Ų6576.9 Ų76.954%0.53743%0.427SS..Hα-helixtrans-70.8-42.7177.200000113.2S217 K218S217-A221 VanDerWaalsContact O-CB 3.3Å; S217-A221 WeakPolarHBondContact O-CB 3.43Å; S217-A221 PolarHBondContact O-N 3.2Å; K218-A221 PolarHBondContact O-N 3.37Å
222L45.2Very low45.7Very low73 Ų7378.9 Ų78.938%0.38244%0.442SS..Hα-helixtrans-82.6-38.5-173.4-73.4162.2000113P193 K218P193-L222 HydrophobicContact CB-CB 4.01Å; P193-L222 WeakPolarHBondContact O-CD1 3.44Å; K218-L222 HydrophobicContact CB-CD1 4.37Å; K218-L222 VanDerWaalsContact O-CB 3.26Å; K218-L222 WeakPolarHBondContact O-CB 3.41Å; K218-L222 WeakPolarHBondContact O-CD1 3.35Å; K218-L222 WeakPolarHBondContact O-CG 3.42Å; K218-L222 PolarHBondContact O-N 2.78Å
223E46.9Very low45.4Very low50 Ų5080.5 Ų80.523%0.23444%0.443CS..Hα-helixtrans-106-9.2-171-118.6-164.8-15800116R185 P193 M219 A225R185-E223 PolarHBondContact NH1-O 3.37Å; P193-E223 HydrophobicContact CB-CG 4.31Å; P193-E223 HydrophobicContact CG-CB 4.29Å; P193-E223 VanDerWaalsContact CG-CD 3.48Å; P193-E223 HydrophobicContact CG-CG 3.58Å; P193-E223 WeakPolarHBondContact CG-OE1 3.27Å; M219-E223 WeakPolarHBondContact O-CB 3.21Å; M219-E223 PolarHBondContact O-N 3.09Å; E223-A225 PolarHBondContact O-N 3.27Å
224K49.9Very low44.7Very low42 Ų4280.8 Ų80.818%0.18344%0.44CS..  trans47.547.8176.5-58.3165.3169.1-151.30110.9H172 A176 L220H172-K224 HydrophobicContact CB-CB 3.9Å; H172-K224 HydrophobicContact CB-CD 3.41Å; H172-K224 VanDerWaalsContact CB-CD 3.41Å; H172-K224 HydrophobicContact CB-CG 3.42Å; H172-K224 VanDerWaalsContact CB-CG 3.42Å; H172-K224 WeakPolarHBondContact CD2-CE 3.47Å; H172-K224 PolarHBondContact CE1-NZ 3.43Å; H172-K224 VanDerWaalsContact CG-NZ 3.3Å; H172-K224 VanDerWaalsContact ND1-CE 3.32Å; H172-K224 WeakPolarHBondContact ND1-CE 3.35Å; H172-K224 PolarHBondContact ND1-NZ 3.05Å; A176-K224 HydrophobicContact CB-CB 4.49Å; A176-K224 VanDerWaalsContact CB-O 3.31Å; A176-K224 WeakPolarHBondContact CB-O 3.32Å; L220-K224 PolarHBondContact O-N 3.21Å
225A42Very low44.1Very low40 Ų4080.2 Ų80.233%0.33146%0.458SS..  trans-86.2136.8-173.300000111.6E223E223-A225 PolarHBondContact O-N 3.27Å
226D40.5Very low43.6Very low70 Ų7080 Ų8037%0.37446%0.461SS..SBendtrans-88.4-9.6-174.3-52.3-56.7000114.1R90R90-D226 IonicContact CZ-OD2 2.86Å; R90-D226 IonicContact NH1-OD2 3.88Å; R90-D226 PolarHBondContact NH1-OD2 2.98Å; R90-D226 IonicContact NH2-OD2 3.48Å; R90-D226 PolarHBondContact NH2-OD2 3.19Å
227V39.5Very low43.3Very low115 Ų11584.9 Ų84.970%0.69749%0.49SS*.  trans-136124.4179179.80000109.2V229V227-V229 HydrophobicContact CG1-CG2 4.09Å
228C41.3Very low42.5Very low67 Ų6786.6 Ų86.645%0.45349%0.493SS..  trans-103.5108.5169.1-166.50000107.6Y230C228-Y230 PolarHBondContact O-N 2.91Å
229V39.6Very low41.7Very low129 Ų12991.9 Ų91.978%0.78252%0.519SS*.  trans-83107.8171.6-179.30000106.5V227 N231V227-V229 HydrophobicContact CG1-CG2 4.09Å; V229-N231 PolarHBondContact O-N 2.86Å
230Y35.6Very low41.2Very low144 Ų14496.3 Ų96.357%0.56553%0.533SS*.  trans-69.2120.1171.6-73.8-90.9000108.1K216 C228 P232K216-Y230 WeakPolarHBondContact CE-OH 3.41Å; K216-Y230 PolarHBondContact NZ-OH 2.68Å; C228-Y230 PolarHBondContact O-N 2.91Å; Y230-P232 VanDerWaalsContact O-CD 3.29Å; Y230-P232 WeakPolarHBondContact O-CD 3.18Å
231N38.6Very low40.5Very low84 Ų8497.6 Ų97.645%0.44954%0.544SS..  trans-62.3118.3158.7179.6-8.9000106.2V229 L233 F234V229-N231 PolarHBondContact O-N 2.86Å; N231-L233 PolarHBondContact O-N 2.78Å; N231-L233 WeakPolarHBondContact OD1-CB 3.32Å; N231-L233 PolarHBondContact OD1-N 3.47Å; N231-L233 VanDerWaalsContact OD1-N 3.08Å; N231-F234 HydrophobicContact CB-CB 4.28Å; N231-F234 WeakPolarHBondContact O-CB 3.27Å; N231-F234 PolarHBondContact O-N 3.39Å
232P38.9Very low39.8Very low120 Ų120102.2 Ų102.278%0.77956%0.56SS**THydrogen-bonded Turntrans-61.1-10.7-17823.6-32.6000113.4Y230Y230-P232 VanDerWaalsContact O-CD 3.29Å; Y230-P232 WeakPolarHBondContact O-CD 3.18Å
233L37Very low39.4Very low80 Ų80109.1 Ų109.142%0.41958%0.581SS.*THydrogen-bonded Turntrans-91.6-4.3176-56.8169.3000113.5N231 G235 S236 L238N231-L233 PolarHBondContact O-N 2.78Å; N231-L233 WeakPolarHBondContact OD1-CB 3.32Å; N231-L233 PolarHBondContact OD1-N 3.47Å; N231-L233 VanDerWaalsContact OD1-N 3.08Å; L233-G235 PolarHBondContact O-N 2.97Å; L233-S236 PolarHBondContact O-OG 3.12Å; L233-L238 HydrophobicContact CD2-CD1 4.05Å
234F35.1Very low39Very low125 Ų125111.3 Ų111.355%0.54860%0.597SS.*THydrogen-bonded Turntrans-85.2106.1-175.6-153.2-112.5000110.3A212 N231A212-F234 HydrophobicContact CB-CD1 3.95Å; A212-F234 HydrophobicContact CB-CE1 3.1Å; A212-F234 HydrophobicContact CB-CE2 4.44Å; A212-F234 HydrophobicContact CB-CZ 3.39Å; N231-F234 HydrophobicContact CB-CB 4.28Å; N231-F234 WeakPolarHBondContact O-CB 3.27Å; N231-F234 PolarHBondContact O-N 3.39Å
235G40.4Very low38.3Very low78 Ų78117.2 Ų117.280%0.80463%0.631SS**THydrogen-bonded Turntrans92.38.2-17500000114.7L233L233-G235 PolarHBondContact O-N 2.97Å
236S42.7Very low37.9Very low43 Ų43121.8 Ų121.830%0.30164%0.644SS.*  trans-77.9132.1165.558.30000109.8L233 L238L233-S236 PolarHBondContact O-OG 3.12Å; S236-L238 PolarHBondContact O-N 3.29Å
237D38.2Very low37.8Very low164 Ų164121.5 Ų121.588%0.87764%0.644SS**  trans-66.424.6172.8-66.7-36.7000113.8Q239D237-Q239 PolarHBondContact O-N 3.43Å
238L38.7Very low37.5Very low108 Ų108121 Ų12157%0.56564%0.641SS**  trans-63.999.6170-88.2157000107.6L233 S236 Y240L233-L238 HydrophobicContact CD2-CD1 4.05Å; S236-L238 PolarHBondContact O-N 3.29Å; L238-Y240 WeakPolarHBondContact O-CD2 3.4Å; L238-Y240 PolarHBondContact O-N 3.45Å
239Q37.2Very low37.3Very low178 Ų178123.1 Ų123.183%0.83265%0.647SS**  trans-58.7104.6168.9-69.6-175-7.800107.8D237 T241D237-Q239 PolarHBondContact O-N 3.43Å; Q239-T241 VanDerWaalsContact C-N 3.3Å; Q239-T241 PolarHBondContact O-N 2.88Å
240Y36.7Very low37.2Very low165 Ų165121 Ų12165%0.64763%0.631SS**  trans-64.996.2168.3-71.2-89.3000107.5L238L238-Y240 WeakPolarHBondContact O-CD2 3.4Å; L238-Y240 PolarHBondContact O-N 3.45Å
241T36.7Very low37.3Very low109 Ų109118.5 Ų118.567%0.66963%0.633SS**  trans-68.4134152.460.20000105.8Q239 R243Q239-T241 VanDerWaalsContact C-N 3.3Å; Q239-T241 PolarHBondContact O-N 2.88Å; T241-R243 PolarHBondContact O-N 3.12Å
242N36.1Very low37.5Very low163 Ų163120.6 Ų120.687%0.87264%0.635SS**SBendtrans-64.831-171.6-73.1-31.8000115.3
243R36.6Very low37.3Very low218 Ų218123.2 Ų123.282%0.82363%0.634SS**  trans-96.692.7169.5-69-173.9-178.4-175.10.6108.6T241T241-R243 PolarHBondContact O-N 3.12Å
244V37.9Very low37.5Very low95 Ų95122.9 Ų122.958%0.57665%0.651SS**  trans-84.1114.7160.4-86.10000107.3K246 V247V244-K246 PolarHBondContact O-N 3.39Å; V244-K246 VanDerWaalsContact O-N 3.16Å; V244-V247 HydrophobicContact CB-CG2 4.34Å; V244-V247 HydrophobicContact CG2-CG2 3.69Å
245D36Very low37.6Very low167 Ų167124.3 Ų124.389%0.89366%0.657SS**SBendtrans-65-16.2177.9-62.2-46000112.4
246K32.9Very low37.9Very low136 Ų136122.9 Ų122.959%0.59164%0.642SS**  trans-159.4130173.2-161.9172-172.9168.90111.8V244 V248V244-K246 PolarHBondContact O-N 3.39Å; V244-K246 VanDerWaalsContact O-N 3.16Å; K246-V248 HydrophobicContact CD-CG2 3.76Å; K246-V248 HydrophobicContact CG-CG2 3.84Å
247V37.9Very low37.7Very low63 Ų63125.6 Ų125.638%0.38267%0.667SS.*  trans-100.5106.6163.7177.20000107.3V244 I249V244-V247 HydrophobicContact CB-CG2 4.34Å; V244-V247 HydrophobicContact CG2-CG2 3.69Å; V247-I249 HydrophobicContact CG1-CD1 4.49Å; V247-I249 HydrophobicContact CG1-CG1 3.81Å; V247-I249 PolarHBondContact O-N 3.22Å
248V32.4Very low37.9Very low106 Ų106119.3 Ų119.364%0.64264%0.635SS**  trans-91.692.8171.6-175.70000107.9K246 N250K246-V248 HydrophobicContact CD-CG2 3.76Å; K246-V248 HydrophobicContact CG-CG2 3.84Å; V248-N250 PolarHBondContact O-N 3.32Å
249I39.1Very low38.4Very low111 Ų111118.2 Ų118.257%0.56963%0.63SS**  trans-71.7121.4163.8-55.2-176.6000106.1V247 P251V247-I249 HydrophobicContact CG1-CD1 4.49Å; V247-I249 HydrophobicContact CG1-CG1 3.81Å; V247-I249 PolarHBondContact O-N 3.22Å; I249-P251 WeakPolarHBondContact O-CD 3.41Å
250N35.6Very low38.8Very low84 Ų84117.6 Ų117.645%0.44962%0.621SS.*  trans-57.5113172177.8-4000107.8V248 Y252 F253V248-N250 PolarHBondContact O-N 3.32Å; N250-Y252 PolarHBondContact O-N 3.25Å; N250-Y252 WeakPolarHBondContact OD1-CB 3.47Å; N250-Y252 WeakPolarHBondContact OD1-CD2 3.43Å; N250-Y252 PolarHBondContact OD1-N 2.89Å; N250-F253 HydrophobicContact CB-CB 4.36Å; N250-F253 VanDerWaalsContact O-CB 3.27Å; N250-F253 WeakPolarHBondContact O-CB 3.38Å; N250-F253 PolarHBondContact O-N 3.48Å
251P39Very low39.4Very low92 Ų92114.5 Ų114.560%0.59762%0.624SS**THydrogen-bonded Turntrans-65.7-10.5-175.325.8-32.2000112.3I249 F255I249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-F255 WeakPolarHBondContact O-CD2 3.14Å
252Y41.9Very low39.8Very low127 Ų127117.3 Ų117.350%0.49863%0.627SS.*THydrogen-bonded Turntrans-99.75.2176.5-52-74.2000113.5N250 G254 F255 P258N250-Y252 PolarHBondContact O-N 3.25Å; N250-Y252 WeakPolarHBondContact OD1-CB 3.47Å; N250-Y252 WeakPolarHBondContact OD1-CD2 3.43Å; N250-Y252 PolarHBondContact OD1-N 2.89Å; Y252-G254 PolarHBondContact O-N 3.07Å; Y252-F255 PolarHBondContact O-N 3.21Å; Y252-P258 HydrophobicContact CD1-CG 4.45Å; Y252-P258 HydrophobicContact CD2-CG 4.19Å; Y252-P258 HydrophobicContact CG-CB 4.39Å; Y252-P258 HydrophobicContact CG-CG 3.89Å
253F34.9Very low40.2Very low175 Ų175114.2 Ų114.277%0.76861%0.609SS**THydrogen-bonded Turntrans-64.8106.8174.9-168.6-98.2000109.8N250N250-F253 HydrophobicContact CB-CB 4.36Å; N250-F253 VanDerWaalsContact O-CB 3.27Å; N250-F253 WeakPolarHBondContact O-CB 3.38Å; N250-F253 PolarHBondContact O-N 3.48Å
254G42.5Very low40.4Very low74 Ų74112.6 Ų112.676%0.76361%0.611SS**THydrogen-bonded Turntrans107.2-10.6-176.200000115.3Y252Y252-G254 PolarHBondContact O-N 3.07Å
255F37Very low40.7Very low155 Ų155115.1 Ų115.168%0.6862%0.619SS**SBendtrans-95.29.5-175.4-76.6-77.4000115.4P251 Y252P251-F255 WeakPolarHBondContact O-CD2 3.14Å; Y252-F255 PolarHBondContact O-N 3.21Å
256G46.1Very low40.6Very low47 Ų47111.1 Ų111.149%0.48560%0.603SS.*  trans73.5178.6-172.300000112.2P258G256-P258 WeakPolarHBondContact O-CD 3.41Å
257A38.4Very low41Very low100 Ų100112.4 Ų112.483%0.82661%0.608SS**SBendtrans-62.1122.3-174.800000110.6D259A257-D259 PolarHBondContact O-N 3.24Å
258P42.4Very low41Very low33 Ų33120.2 Ų120.221%0.21463%0.631CS.*  trans-60.9138.2176-19.230.5000110.5Y252 G256 Y260Y252-P258 HydrophobicContact CD1-CG 4.45Å; Y252-P258 HydrophobicContact CD2-CG 4.19Å; Y252-P258 HydrophobicContact CG-CB 4.39Å; Y252-P258 HydrophobicContact CG-CG 3.89Å; G256-P258 WeakPolarHBondContact O-CD 3.41Å; P258-Y260 VanDerWaalsContact C-N 3.33Å; P258-Y260 HydrophobicContact CB-CE1 4.38Å; P258-Y260 HydrophobicContact CB-CE2 4.24Å; P258-Y260 HydrophobicContact CG-CE2 4.39Å; P258-Y260 WeakPolarHBondContact O-CD2 3.5Å; P258-Y260 WeakPolarHBondContact O-CE2 3.29Å; P258-Y260 PolarHBondContact O-N 3.15Å
259D49.3Very low41.4Very low85 Ų85122.7 Ų122.746%0.45564%0.635SS.*  trans-7587.8169.5-176.65.2000109.5A257 S261 K262A257-D259 PolarHBondContact O-N 3.24Å; D259-S261 VanDerWaalsContact CG-OG 3.26Å; D259-S261 PolarHBondContact O-N 3.03Å; D259-S261 WeakPolarHBondContact OD1-CB 3.36Å; D259-S261 PolarHBondContact OD1-N 3.34Å; D259-S261 PolarHBondContact OD1-OG 3.21Å; D259-S261 PolarHBondContact OD2-OG 2.94Å; D259-K262 PolarHBondContact O-N 3Å; D259-K262 VanDerWaalsContact O-N 3.16Å; D259-K262 WeakPolarHBondContact OD2-CE 3.12Å; D259-K262 IonicContact OD2-NZ 2.88Å
260Y45.4Very low41.3Very low164 Ų164125.9 Ų125.964%0.64365%0.645SS**G310 helixtrans-61-13.3-179.1-64.8-81.2000113.6P258 K262 I263P258-Y260 VanDerWaalsContact C-N 3.33Å; P258-Y260 HydrophobicContact CB-CE1 4.38Å; P258-Y260 HydrophobicContact CB-CE2 4.24Å; P258-Y260 HydrophobicContact CG-CE2 4.39Å; P258-Y260 WeakPolarHBondContact O-CD2 3.5Å; P258-Y260 WeakPolarHBondContact O-CE2 3.29Å; P258-Y260 PolarHBondContact O-N 3.15Å; Y260-K262 PolarHBondContact O-N 2.82Å; Y260-I263 HydrophobicContact CD1-CD1 3.87Å; Y260-I263 PolarHBondContact O-N 2.91Å
261S49.3Very low41.4Very low101 Ų101132.1 Ų132.171%0.70666%0.663SS**G310 helixtrans-71-16.2176.674.40000113.4D259D259-S261 VanDerWaalsContact CG-OG 3.26Å; D259-S261 PolarHBondContact O-N 3.03Å; D259-S261 WeakPolarHBondContact OD1-CB 3.36Å; D259-S261 PolarHBondContact OD1-N 3.34Å; D259-S261 PolarHBondContact OD1-OG 3.21Å; D259-S261 PolarHBondContact OD2-OG 2.94Å
262K44.3Very low41.3Very low167 Ų167136 Ų13673%0.72667%0.673SS**G310 helixtrans-93.5-3.4179.3-64.9-178.3-179171.20114D259 Y260 Q264D259-K262 PolarHBondContact O-N 3Å; D259-K262 VanDerWaalsContact O-N 3.16Å; D259-K262 WeakPolarHBondContact OD2-CE 3.12Å; D259-K262 IonicContact OD2-NZ 2.88Å; Y260-K262 PolarHBondContact O-N 2.82Å; K262-Q264 PolarHBondContact O-N 2.85Å
263I45.3Very low41.1Very low98 Ų98141.4 Ų141.450%0.50369%0.692SS.*  trans-82.3100.3176.2-57.7179.3000108Y260 I265Y260-I263 HydrophobicContact CD1-CD1 3.87Å; Y260-I263 PolarHBondContact O-N 2.91Å; I263-I265 PolarHBondContact O-N 3.05Å; I263-I265 VanDerWaalsContact O-N 3.15Å
264Q41.5Very low41Very low185 Ų185138 Ų13886%0.86469%0.69SS**  trans-72105165.9-81.4-175.4-4.900109K262 P266K262-Q264 PolarHBondContact O-N 2.85Å; Q264-P266 VanDerWaalsContact O-CD 3.3Å; Q264-P266 WeakPolarHBondContact O-CD 3.39Å
265I42.6Very low40.6Very low147 Ų147143.5 Ų143.575%0.75470%0.698SS**PPolyproline II helixtrans-67.2118.2167.8-57.5170000106.8I263 K267I263-I265 PolarHBondContact O-N 3.05Å; I263-I265 VanDerWaalsContact O-N 3.15Å; I265-K267 PolarHBondContact O-N 3.28Å
266P35.1Very low40.7Very low83 Ų83140.3 Ų140.354%0.53970%0.695SS.*PPolyproline II helixtrans-58.1132.2177.5-2132000109.7Q264 R268Q264-P266 VanDerWaalsContact O-CD 3.3Å; Q264-P266 WeakPolarHBondContact O-CD 3.39Å; P266-R268 PolarHBondContact O-N 3.23Å
267K41.6Very low40.3Very low164 Ų164141.4 Ų141.471%0.71370%0.696SS**PPolyproline II helixtrans-52.8137.2179.5-69.4-176.3178.6-177.90110.5I265 E269 K270I265-K267 PolarHBondContact O-N 3.28Å; K267-E269 PolarHBondContact O-N 3.06Å; K267-K270 PolarHBondContact O-N 2.88Å; K267-K270 VanDerWaalsContact O-N 3.1Å
268R37.3Very low40.5Very low226 Ų226141.4 Ų141.485%0.85369%0.685SS**G310 helixtrans-53.3-20.7-175.3-134.1178-172.4-178.12114.1P266 K270 W271P266-R268 PolarHBondContact O-N 3.23Å; R268-K270 VanDerWaalsContact C-N 3.25Å; R268-K270 PolarHBondContact O-N 2.81Å; R268-W271 WeakPolarHBondContact O-CB 3.47Å; R268-W271 PolarHBondContact O-N 2.91Å
269E40.1Very low40.6Very low158 Ų158145.5 Ų145.574%0.73871%0.71SS**G310 helixtrans-65.1-21.9178.6-67.6165.1-178.400113.7K267 W271K267-E269 PolarHBondContact O-N 3.06Å; E269-W271 PolarHBondContact O-N 2.84Å
270K38.5Very low40.3Very low179 Ų179148.4 Ų148.478%0.77872%0.72SS**G310 helixtrans-72.7-8.8173.9-76-169.2175.6-172.60114.3K267 R268K267-K270 PolarHBondContact O-N 2.88Å; K267-K270 VanDerWaalsContact O-N 3.1Å; R268-K270 VanDerWaalsContact C-N 3.25Å; R268-K270 PolarHBondContact O-N 2.81Å
271W37Very low40.5Very low215 Ų215145.5 Ų145.581%0.81472%0.716SS**G310 helixtrans-91.7-3.6-177.6-70.873.5000114R268 E269R268-W271 WeakPolarHBondContact O-CB 3.47Å; R268-W271 PolarHBondContact O-N 2.91Å; E269-W271 PolarHBondContact O-N 2.84Å
272Q37.3Very low40.5Very low174 Ų174147.5 Ų147.581%0.81371%0.712SS**  trans-107.371.5176.3-70.7-172.6-14.800110.4
273R36.2Very low40.7Very low240 Ų240146.6 Ų146.691%0.90671%0.71SS**  trans-128.6132.3158.3-90.1-173.4156.5171-7.4110.7
274S33.9Very low41.2Very low103 Ų103148.1 Ų148.172%0.7272%0.715SS**  trans-27.5140.3-169.8-155.40000118.7S276S274-S276 VanDerWaalsContact C-N 3.25Å; S274-S276 PolarHBondContact O-N 2.78Å; S274-S276 VanDerWaalsContact O-N 3.11Å; S274-S276 PolarHBondContact OG-OG 2.84Å
275M34.5Very low42.3Very low190 Ų190145.1 Ų145.194%0.93670%0.701SS**SBendtrans-84.342.1-177.5-140.7-164.6-64.900112.5
276S38.7Very low43.9Very low88 Ų88140.5 Ų140.562%0.61567%0.674SS**SBendtrans-152.361-172.568.10000115.2S274S274-S276 VanDerWaalsContact C-N 3.25Å; S274-S276 PolarHBondContact O-N 2.78Å; S274-S276 VanDerWaalsContact O-N 3.11Å; S274-S276 PolarHBondContact OG-OG 2.84Å
277S37Very low45.6Very low70 Ų70138 Ų13849%0.4966%0.658SS.*  trans169.966.4153.555.60000111.2T279S277-T279 PolarHBondContact O-N 3.35Å
278V43.3Very low47.1Very low99 Ų99136.3 Ų136.360%0.666%0.656SS**THydrogen-bonded Turntrans-81.1-6.5-162.7-174.80000114.8
279T44.9Very low49.3Very low120 Ų120129.9 Ų129.974%0.73664%0.639SS**THydrogen-bonded Turntrans-98.7-34.8-173.749.40000114.7S277S277-T279 PolarHBondContact O-N 3.35Å
280E42.9Very low51.7Low145 Ų145124 Ų12468%0.67861%0.611SS**Hα-helixtrans-84.3-30.6-175.9-72176.6166.400113.3K282E280-K282 PolarHBondContact O-N 2.8Å
281D49.7Very low54.2Low103 Ų103116.9 Ų116.955%0.55158%0.583SS**Hα-helixtrans-73.7-22.9-175.7-75.8-33.3000114.4Q285D281-Q285 PolarHBondContact O-N 3.3Å
282K49.4Very low56.9Low144 Ų144106.8 Ų106.863%0.62655%0.545SS*.Hα-helixtrans-77.4-37.2-176.8-76.2-174.5178.3179.90113.4E280 Q285 W286E280-K282 PolarHBondContact O-N 2.8Å; K282-Q285 PolarHBondContact O-N 3.13Å; K282-W286 PolarHBondContact O-N 3.48Å; K282-W286 VanDerWaalsContact O-N 3.14Å
283E48.3Very low59.6Low147 Ų14798.5 Ų98.569%0.68751%0.506SS*.Hα-helixtrans-68.9-40.5178.2-72.8-171.6162.400110.9Q285 W286 V287E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.08Å; E283-W286 PolarHBondContact O-N 3.06Å; E283-V287 VanDerWaalsContact O-CG2 3.29Å; E283-V287 WeakPolarHBondContact O-CG2 3.4Å; E283-V287 PolarHBondContact O-N 3.16Å
284H54.5Low62.3Low130 Ų13091.4 Ų91.460%0.60248%0.479SS*.Hα-helixtrans-63.4-37174.1-71.7-28000112.7D288H284-D288 PolarHBondContact O-N 3.47Å
285Q64.9Low65.2Low122 Ų12286.5 Ų86.557%0.5745%0.445SS*.Hα-helixtrans-68.8-40177.8-168.2172.95.900113.2D281 K282 E283 D288 D289D281-Q285 PolarHBondContact O-N 3.3Å; K282-Q285 PolarHBondContact O-N 3.13Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.08Å; Q285-D288 PolarHBondContact O-N 2.93Å; Q285-D289 WeakPolarHBondContact O-CB 3.47Å; Q285-D289 PolarHBondContact O-N 3.16Å
286W77.4Confident68.1Low50 Ų5077.5 Ų77.519%0.18940%0.4CS..Hα-helixtrans-66-39.7177-179.794.6000112K282 E283 D288 D289 F290 H293 R294 D318 Y327K282-W286 PolarHBondContact O-N 3.48Å; K282-W286 VanDerWaalsContact O-N 3.14Å; E283-W286 PolarHBondContact O-N 3.06Å; W286-D288 VanDerWaalsContact C-N 3.34Å; W286-D288 PolarHBondContact O-N 2.85Å; W286-D289 PolarHBondContact O-N 3.24Å; W286-F290 AromaticContact CD1-CD2 3.7Å; W286-F290 HydrophobicContact CD2-CB 4.48Å; W286-F290 HydrophobicContact CG-CD2 4.19Å; W286-F290 AromaticContact NE1-CD2 3.97Å; W286-F290 WeakPolarHBondContact O-CA 3.28Å; W286-F290 WeakPolarHBondContact O-CB 3.02Å; W286-F290 PolarHBondContact O-N 3.19Å; W286-H293 HydrophobicContact CH2-CB 3.59Å; W286-H293 HydrophobicContact CZ2-CB 3.44Å; W286-H293 VanDerWaalsContact CZ2-CB 3.44Å; W286-R294 HydrophobicContact CH2-CB 4.43Å; W286-R294 HydrophobicContact CZ3-CB 3.87Å; W286-D318 PolarHBondContact NE1-OD2 3.38Å; W286-Y327 HydrophobicContact CZ2-CE1 4.46Å; W286-Y327 AromaticContact CZ2-CE2 3.94Å; W286-Y327 HydrophobicContact CZ2-CE2 3.94Å; W286-Y327 AromaticContact CZ2-CZ 3.9Å
287V70.1Confident70.6Confident32 Ų3274.5 Ų74.519%0.19438%0.38CS..Hα-helixtrans-60.6-42.6177.5161.20000112E283 R294E283-V287 VanDerWaalsContact O-CG2 3.29Å; E283-V287 WeakPolarHBondContact O-CG2 3.4Å; E283-V287 PolarHBondContact O-N 3.16Å; V287-R294 VanDerWaalsContact CG1-CD 3.48Å; V287-R294 HydrophobicContact CG2-CG 4.47Å
288D73.8Confident73.3Confident128 Ų12875.2 Ų75.268%0.68438%0.375SS*.Hα-helixtrans-73.7-38179.9-73.9-18.1000112.2H284 Q285 W286H284-D288 PolarHBondContact O-N 3.47Å; Q285-D288 PolarHBondContact O-N 2.93Å; W286-D288 VanDerWaalsContact C-N 3.34Å; W286-D288 PolarHBondContact O-N 2.85Å
289D82.2Confident75.6Confident91 Ų9171.8 Ų71.849%0.48736%0.36SS..Hα-helixtrans-79.7-27-178.5-72.5-24.4000112.8Q285 W286 P291Q285-D289 WeakPolarHBondContact O-CB 3.47Å; Q285-D289 PolarHBondContact O-N 3.16Å; W286-D289 PolarHBondContact O-N 3.24Å; D289-P291 VanDerWaalsContact C-CD 3.49Å
290F90.1Very high78Confident34 Ų3469 Ų6915%0.14934%0.341CS..  trans-131.459.9-175.3-59.7-77.8000113.3W286 L292 H293 R294 Q316 D318W286-F290 AromaticContact CD1-CD2 3.7Å; W286-F290 HydrophobicContact CD2-CB 4.48Å; W286-F290 HydrophobicContact CG-CD2 4.19Å; W286-F290 AromaticContact NE1-CD2 3.97Å; W286-F290 WeakPolarHBondContact O-CA 3.28Å; W286-F290 WeakPolarHBondContact O-CB 3.02Å; W286-F290 PolarHBondContact O-N 3.19Å; F290-L292 VanDerWaalsContact C-N 3.26Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-H293 HydrophobicContact CB-CB 4.04Å; F290-H293 AromaticContact CD1-CE1 3.69Å; F290-H293 AromaticContact CD1-ND1 3.86Å; F290-H293 WeakPolarHBondContact O-CB 3.41Å; F290-H293 PolarHBondContact O-N 2.9Å; F290-H293 VanDerWaalsContact O-N 3.16Å; F290-R294 PolarHBondContact O-N 2.87Å; F290-Q316 HydrophobicContact CD1-CG 4.5Å; F290-Q316 HydrophobicContact CE1-CG 4.23Å; F290-D318 HydrophobicContact CD1-CB 3.87Å; F290-D318 HydrophobicContact CD2-CB 4.08Å; F290-D318 HydrophobicContact CE1-CB 3.87Å; F290-D318 HydrophobicContact CE2-CB 4.09Å; F290-D318 HydrophobicContact CG-CB 3.98Å; F290-D318 HydrophobicContact CZ-CB 3.99Å
291P91.5Very high80.4Confident29 Ų2963.7 Ų63.719%0.18832%0.319CS..Hα-helixtrans-64.5-29-174.727-36.5000113.2D289 S295 L307 F312D289-P291 VanDerWaalsContact C-CD 3.49Å; P291-S295 PolarHBondContact O-N 3.5Å; P291-L307 VanDerWaalsContact C-CD1 3.5Å; P291-L307 HydrophobicContact CB-CD1 3.95Å; P291-L307 HydrophobicContact CB-CD2 4.31Å; P291-L307 HydrophobicContact CG-CD1 4.5Å; P291-L307 HydrophobicContact CG-CD2 4.31Å; P291-L307 WeakPolarHBondContact O-CD1 3.24Å; P291-F312 HydrophobicContact CG-CD1 4.15Å; P291-F312 HydrophobicContact CG-CE1 3.48Å; P291-F312 VanDerWaalsContact CG-CE1 3.48Å; P291-F312 HydrophobicContact CG-CZ 3.98Å
292L94.4Very high82.6Confident3 Ų365.3 Ų65.32%0.01633%0.328CS..Hα-helixtrans-69.9-40.5177.7-173.263.5000111.3F290 S295 A296 L304 L307 L308 F312 V314 P324F290-L292 VanDerWaalsContact C-N 3.26Å; F290-L292 PolarHBondContact O-N 2.89Å; L292-S295 PolarHBondContact O-N 2.72Å; L292-S295 PolarHBondContact O-OG 3.26Å; L292-A296 WeakPolarHBondContact O-CB 3.49Å; L292-A296 PolarHBondContact O-N 3.22Å; L292-A296 VanDerWaalsContact O-N 3.1Å; L292-L304 HydrophobicContact CD1-CG 4.12Å; L292-L307 HydrophobicContact CB-CD1 4.35Å; L292-L307 HydrophobicContact CD1-CB 3.89Å; L292-L307 HydrophobicContact CD1-CD1 4.36Å; L292-L308 HydrophobicContact CD1-CD2 4.18Å; L292-L308 HydrophobicContact CD1-CG 4.38Å; L292-L308 HydrophobicContact CD2-CD2 4.28Å; L292-F312 HydrophobicContact CB-CB 4.36Å; L292-F312 HydrophobicContact CD2-CB 3.96Å; L292-V314 HydrophobicContact CD2-CG1 4.29Å; L292-P324 HydrophobicContact CB-CG 4.28Å; L292-P324 HydrophobicContact CD2-CG 3.84Å; L292-P324 HydrophobicContact CG-CB 4.13Å; L292-P324 HydrophobicContact CG-CG 3.78Å
293H94Very high84.7Confident1 Ų161 Ų611%0.00531%0.312CS..Hα-helixtrans-62.6-43.3175.5-59.863000111.5W286 F290 A296 C297 Q316 W322 Y327W286-H293 HydrophobicContact CH2-CB 3.59Å; W286-H293 HydrophobicContact CZ2-CB 3.44Å; W286-H293 VanDerWaalsContact CZ2-CB 3.44Å; F290-H293 HydrophobicContact CB-CB 4.04Å; F290-H293 AromaticContact CD1-CE1 3.69Å; F290-H293 AromaticContact CD1-ND1 3.86Å; F290-H293 WeakPolarHBondContact O-CB 3.41Å; F290-H293 PolarHBondContact O-N 2.9Å; F290-H293 VanDerWaalsContact O-N 3.16Å; H293-A296 WeakPolarHBondContact O-CB 3.22Å; H293-A296 PolarHBondContact O-N 2.73Å; H293-C297 PolarHBondContact O-N 3.44Å; H293-Q316 PolarHBondContact CE1-O 3.17Å; H293-Q316 VanDerWaalsContact CE1-O 3.23Å; H293-Q316 PolarHBondContact NE2-O 2.96Å; H293-W322 PolarHBondContact CD2-O 2.79Å; H293-W322 VanDerWaalsContact CD2-O 3.28Å; H293-W322 PolarHBondContact NE2-O 2.81Å; H293-Y327 HydrophobicContact CB-CD2 4.19Å; H293-Y327 HydrophobicContact CB-CE2 4.38Å; H293-Y327 AromaticContact CD2-CD2 3.97Å; H293-Y327 AromaticContact CD2-CE2 3.85Å
294R92.9Very high86.9Confident91 Ų9154 Ų5434%0.34328%0.279SS..Hα-helixtrans-58.7-52.8174.1-179.7-175.2179.6-166.3-6.5112.2W286 V287 F290 A296 C297 E298W286-R294 HydrophobicContact CH2-CB 4.43Å; W286-R294 HydrophobicContact CZ3-CB 3.87Å; V287-R294 VanDerWaalsContact CG1-CD 3.48Å; V287-R294 HydrophobicContact CG2-CG 4.47Å; F290-R294 PolarHBondContact O-N 2.87Å; R294-A296 PolarHBondContact O-N 3.23Å; R294-A296 VanDerWaalsContact O-N 3.16Å; R294-C297 PolarHBondContact O-N 3.27Å; R294-C297 VanDerWaalsContact O-N 3.09Å; R294-C297 PolarHBondContact O-SG 2.9Å; R294-E298 HydrophobicContact CG-CG 4.23Å; R294-E298 IonicContact CZ-OE1 3.79Å; R294-E298 IonicContact CZ-OE2 3.81Å; R294-E298 VanDerWaalsContact NE-CD 3.32Å; R294-E298 IonicContact NE-OE1 3.36Å; R294-E298 PolarHBondContact NE-OE1 3.49Å; R294-E298 IonicContact NE-OE2 2.83Å; R294-E298 PolarHBondContact NE-OE2 3.14Å; R294-E298 IonicContact NH2-OE1 2.92Å; R294-E298 PolarHBondContact NH2-OE1 3.47Å; R294-E298 IonicContact NH2-OE2 3.77Å; R294-E298 PolarHBondContact O-N 3.21Å
295S94.2Very high88.8Confident0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-57.5-34.7-179.8690000112P291 L292 G299 D300 L304P291-S295 PolarHBondContact O-N 3.5Å; L292-S295 PolarHBondContact O-N 2.72Å; L292-S295 PolarHBondContact O-OG 3.26Å; S295-G299 WeakPolarHBondContact O-CA 3.48Å; S295-G299 PolarHBondContact O-N 3.23Å; S295-D300 PolarHBondContact O-N 3.33Å; S295-D300 VanDerWaalsContact O-N 3.08Å; S295-L304 WeakPolarHBondContact OG-CB 3.25Å
296A95Very high90.2Very high0 Ų048.4 Ų48.40%026%0.257CS..Hα-helixtrans-71.4-37.3177.700000113.4L292 H293 R294 L304 P324 A328 K333 L340L292-A296 WeakPolarHBondContact O-CB 3.49Å; L292-A296 PolarHBondContact O-N 3.22Å; L292-A296 VanDerWaalsContact O-N 3.1Å; H293-A296 WeakPolarHBondContact O-CB 3.22Å; H293-A296 PolarHBondContact O-N 2.73Å; R294-A296 PolarHBondContact O-N 3.23Å; R294-A296 VanDerWaalsContact O-N 3.16Å; A296-L304 HydrophobicContact CB-CD1 3.94Å; A296-P324 HydrophobicContact CB-CB 3.92Å; A296-P324 WeakPolarHBondContact CB-O 3.44Å; A296-A328 HydrophobicContact CB-CB 4.26Å; A296-K333 WeakPolarHBondContact O-CG 3.41Å; A296-L340 HydrophobicContact CB-CD1 4.15Å
297C93Very high91Very high26 Ų2646.5 Ų46.518%0.17625%0.25CS..Hα-helixtrans-77.3-35177.174.20000112.8H293 R294 G299 Y327 Y331 K333H293-C297 PolarHBondContact O-N 3.44Å; R294-C297 PolarHBondContact O-N 3.27Å; R294-C297 VanDerWaalsContact O-N 3.09Å; R294-C297 PolarHBondContact O-SG 2.9Å; C297-G299 VanDerWaalsContact C-N 3.35Å; C297-Y327 HydrophobicContact CB-CD1 4.28Å; C297-Y327 HydrophobicContact CB-CG 4.43Å; C297-Y331 HydrophobicContact CB-CD2 3.62Å; C297-Y331 HydrophobicContact CB-CE2 3.75Å; C297-K333 WeakPolarHBondContact O-CE 3.41Å
298E92.3Very high92.1Very high84 Ų8446 Ų4639%0.39325%0.246SC..Hα-helixtrans-73.7-30.9176.5-69.9177.6166.800111.1R294 K333R294-E298 HydrophobicContact CG-CG 4.23Å; R294-E298 IonicContact CZ-OE1 3.79Å; R294-E298 IonicContact CZ-OE2 3.81Å; R294-E298 VanDerWaalsContact NE-CD 3.32Å; R294-E298 IonicContact NE-OE1 3.36Å; R294-E298 PolarHBondContact NE-OE1 3.49Å; R294-E298 IonicContact NE-OE2 2.83Å; R294-E298 PolarHBondContact NE-OE2 3.14Å; R294-E298 IonicContact NH2-OE1 2.92Å; R294-E298 PolarHBondContact NH2-OE1 3.47Å; R294-E298 IonicContact NH2-OE2 3.77Å; R294-E298 PolarHBondContact O-N 3.21Å; E298-K333 WeakPolarHBondContact O-CE 3.35Å; E298-K333 PolarHBondContact O-NZ 2.73Å
299G92.4Very high93Very high27 Ų2744.9 Ų44.928%0.27824%0.24SC..THydrogen-bonded Turntrans80.725.7-172.400000112.7S295 C297 S301S295-G299 WeakPolarHBondContact O-CA 3.48Å; S295-G299 PolarHBondContact O-N 3.23Å; C297-G299 VanDerWaalsContact C-N 3.35Å; G299-S301 PolarHBondContact O-N 3.01Å
300D94.6Very high93.5Very high63 Ų6346.7 Ų46.734%0.33724%0.244SC..  trans-7788.8174.9-174.3-17.2000109.4S295 D302 L303 L304S295-D300 PolarHBondContact O-N 3.33Å; S295-D300 VanDerWaalsContact O-N 3.08Å; D300-D302 VanDerWaalsContact C-N 3.29Å; D300-D302 PolarHBondContact O-N 3.49Å; D300-D302 PolarHBondContact OD1-N 3.08Å; D300-L303 HydrophobicContact CB-CB 4.07Å; D300-L303 PolarHBondContact O-N 3.38Å; D300-L303 WeakPolarHBondContact OD1-CB 3.33Å; D300-L303 PolarHBondContact OD1-N 3.39Å; D300-L303 VanDerWaalsContact OD2-CB 3.32Å; D300-L303 WeakPolarHBondContact OD2-CB 3.28Å; D300-L304 WeakPolarHBondContact O-CB 3.4Å; D300-L304 PolarHBondContact O-N 2.84Å
301S94.6Very high93.4Very high32 Ų3254.1 Ų54.122%0.22428%0.276CS..Hα-helixtrans-60-36.2-179.1-67.70000113G299 S305 E335 M339G299-S301 PolarHBondContact O-N 3.01Å; S301-S305 VanDerWaalsContact O-CB 3.23Å; S301-S305 WeakPolarHBondContact O-CB 3.35Å; S301-S305 PolarHBondContact O-N 2.82Å; S301-E335 VanDerWaalsContact OG-CG 3.31Å; S301-E335 WeakPolarHBondContact OG-CG 3.26Å; S301-M339 VanDerWaalsContact CB-SD 3.6Å; S301-M339 WeakPolarHBondContact O-CE 3.28Å
302D94.3Very high93.3Very high138 Ų13856.3 Ų56.374%0.73828%0.282SS*.Hα-helixtrans-70.2-46.9-177.9-71.7-29.6000110.7D300 S305 H306D300-D302 VanDerWaalsContact C-N 3.29Å; D300-D302 PolarHBondContact O-N 3.49Å; D300-D302 PolarHBondContact OD1-N 3.08Å; D302-S305 WeakPolarHBondContact O-CB 3.36Å; D302-S305 PolarHBondContact O-N 3.36Å; D302-H306 WeakPolarHBondContact O-CB 3.39Å; D302-H306 PolarHBondContact O-N 2.94Å
303L94.2Very high93.1Very high54 Ų5459 Ų5928%0.28330%0.302SS..Hα-helixtrans-63.2-45175.1-179.359.5000111.3D300 S305 H306 L307D300-L303 HydrophobicContact CB-CB 4.07Å; D300-L303 PolarHBondContact O-N 3.38Å; D300-L303 WeakPolarHBondContact OD1-CB 3.33Å; D300-L303 PolarHBondContact OD1-N 3.39Å; D300-L303 VanDerWaalsContact OD2-CB 3.32Å; D300-L303 WeakPolarHBondContact OD2-CB 3.28Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.2Å; L303-H306 PolarHBondContact O-N 3.05Å; L303-L307 HydrophobicContact CD1-CD1 4.08Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.91Å; L303-L307 HydrophobicContact CG-CG 4.36Å; L303-L307 WeakPolarHBondContact O-CB 3.25Å; L303-L307 VanDerWaalsContact O-CG 3.26Å; L303-L307 WeakPolarHBondContact O-CG 3.17Å; L303-L307 PolarHBondContact O-N 3.03Å
304L94.6Very high93.1Very high0 Ų059.7 Ų59.70%031%0.306CS..Hα-helixtrans-60-43.8178.1-169.5146.5000110.8L292 S295 A296 D300 H306 L307 L308 A336 M339 L340L292-L304 HydrophobicContact CD1-CG 4.12Å; S295-L304 WeakPolarHBondContact OG-CB 3.25Å; A296-L304 HydrophobicContact CB-CD1 3.94Å; D300-L304 WeakPolarHBondContact O-CB 3.4Å; D300-L304 PolarHBondContact O-N 2.84Å; L304-H306 PolarHBondContact O-N 3.23Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-L308 HydrophobicContact CD2-CD1 3.65Å; L304-L308 HydrophobicContact CD2-CG 4.25Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 2.86Å; L304-A336 HydrophobicContact CD1-CB 3.86Å; L304-M339 HydrophobicContact CD2-CB 3.61Å; L304-M339 HydrophobicContact CD2-CE 3.91Å; L304-M339 HydrophobicContact CD2-SD 4.17Å; L304-L340 HydrophobicContact CD1-CD1 4.32Å; L304-L340 HydrophobicContact CD1-CD2 4.43Å; L304-L340 HydrophobicContact CD1-CG 4.16Å; L304-L340 HydrophobicContact CD2-CD2 4.4Å; L304-L340 HydrophobicContact CD2-CG 4.27Å
305S94.5Very high92.9Very high36 Ų3658.4 Ų58.425%0.25231%0.306SS..Hα-helixtrans-57.8-48.7176.5-161.70000111.4S301 D302 L303 L308 D309 M339 K343S301-S305 VanDerWaalsContact O-CB 3.23Å; S301-S305 WeakPolarHBondContact O-CB 3.35Å; S301-S305 PolarHBondContact O-N 2.82Å; D302-S305 WeakPolarHBondContact O-CB 3.36Å; D302-S305 PolarHBondContact O-N 3.36Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.2Å; S305-L308 PolarHBondContact O-N 3.14Å; S305-D309 PolarHBondContact O-N 3.03Å; S305-D309 VanDerWaalsContact O-N 3.07Å; S305-M339 VanDerWaalsContact CA-CE 3.49Å; S305-K343 PolarHBondContact O-NZ 2.84Å; S305-K343 PolarHBondContact OG-NZ 3.49Å
306H95Very high92.7Very high98 Ų9862 Ų6245%0.45432%0.323SS..Hα-helixtrans-65.3-39.4-179-178.562.1000112.5D302 L303 L304 D309 K310D302-H306 WeakPolarHBondContact O-CB 3.39Å; D302-H306 PolarHBondContact O-N 2.94Å; L303-H306 PolarHBondContact O-N 3.05Å; L304-H306 PolarHBondContact O-N 3.23Å; H306-D309 PolarHBondContact O-N 2.87Å; H306-K310 WeakPolarHBondContact NE2-CE 3.44Å; H306-K310 PolarHBondContact NE2-NZ 3.47Å; H306-K310 PolarHBondContact O-N 3.28Å
307L93.7Very high92.5Very high10 Ų1065.5 Ų65.55%0.05234%0.341CS..Hα-helixtrans-68-37.8176.9-68.9172.7000111.8P291 L292 L303 L304 D309 K310 K311 F312P291-L307 VanDerWaalsContact C-CD1 3.5Å; P291-L307 HydrophobicContact CB-CD1 3.95Å; P291-L307 HydrophobicContact CB-CD2 4.31Å; P291-L307 HydrophobicContact CG-CD1 4.5Å; P291-L307 HydrophobicContact CG-CD2 4.31Å; P291-L307 WeakPolarHBondContact O-CD1 3.24Å; L292-L307 HydrophobicContact CB-CD1 4.35Å; L292-L307 HydrophobicContact CD1-CB 3.89Å; L292-L307 HydrophobicContact CD1-CD1 4.36Å; L303-L307 HydrophobicContact CD1-CD1 4.08Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.91Å; L303-L307 HydrophobicContact CG-CG 4.36Å; L303-L307 WeakPolarHBondContact O-CB 3.25Å; L303-L307 VanDerWaalsContact O-CG 3.26Å; L303-L307 WeakPolarHBondContact O-CG 3.17Å; L303-L307 PolarHBondContact O-N 3.03Å; L304-L307 PolarHBondContact O-N 3.4Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-K310 CarbonylContact O-C 3.58Å; L307-K310 PolarHBondContact O-N 3.29Å; L307-K311 PolarHBondContact O-N 2.98Å; L307-F312 HydrophobicContact CB-CD2 4.14Å; L307-F312 HydrophobicContact CB-CG 4.39Å; L307-F312 HydrophobicContact CD2-CD2 3.86Å; L307-F312 HydrophobicContact CD2-CE2 3.59Å; L307-F312 HydrophobicContact CD2-CG 4.41Å; L307-F312 HydrophobicContact CD2-CZ 3.95Å; L307-F312 VanDerWaalsContact O-CD2 3.29Å; L307-F312 WeakPolarHBondContact O-CD2 3.35Å; L307-F312 PolarHBondContact O-N 3.42Å
308L93.4Very high92.2Very high21 Ų2164.6 Ų64.611%0.1133%0.334CS..Hα-helixtrans-63-39.9172.3-68.2178000111.9L292 L304 S305 K310 K311 V314 L340 K343L292-L308 HydrophobicContact CD1-CD2 4.18Å; L292-L308 HydrophobicContact CD1-CG 4.38Å; L292-L308 HydrophobicContact CD2-CD2 4.28Å; L304-L308 HydrophobicContact CD2-CD1 3.65Å; L304-L308 HydrophobicContact CD2-CG 4.25Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 2.86Å; S305-L308 PolarHBondContact O-N 3.14Å; L308-K310 VanDerWaalsContact C-N 3.26Å; L308-K310 PolarHBondContact O-N 3.07Å; L308-K311 WeakPolarHBondContact O-CA 3.47Å; L308-K311 PolarHBondContact O-N 3.44Å; L308-V314 HydrophobicContact CD2-CG1 3.29Å; L308-L340 HydrophobicContact CD2-CD2 4.44Å; L308-K343 HydrophobicContact CB-CD 4.28Å; L308-K343 HydrophobicContact CD1-CB 4.1Å; L308-K343 HydrophobicContact CD1-CD 4.12Å; L308-K343 HydrophobicContact CD1-CG 4.21Å
309D93Very high92Very high105 Ų10564.1 Ų64.156%0.56134%0.34SS*.Hα-helixtrans-64.8-32175.5-69.9-29.4000112.4S305 H306 L307 K311 K343S305-D309 PolarHBondContact O-N 3.03Å; S305-D309 VanDerWaalsContact O-N 3.07Å; H306-D309 PolarHBondContact O-N 2.87Å; L307-D309 VanDerWaalsContact C-N 3.34Å; D309-K311 PolarHBondContact O-N 2.9Å; D309-K343 WeakPolarHBondContact OD1-CE 3.29Å; D309-K343 IonicContact OD1-NZ 3.72Å; D309-K343 PolarHBondContact OD1-NZ 2.8Å; D309-K343 IonicContact OD2-NZ 3.72Å; D309-K343 PolarHBondContact OD2-NZ 3.15Å
310K91.9Very high91.5Very high128 Ų12867.2 Ų67.256%0.55735%0.351SS*.THydrogen-bonded Turntrans-75.75.9171.5-73.2-175175.3-178.90114.2H306 L307 L308 F312H306-K310 WeakPolarHBondContact NE2-CE 3.44Å; H306-K310 PolarHBondContact NE2-NZ 3.47Å; H306-K310 PolarHBondContact O-N 3.28Å; L307-K310 CarbonylContact O-C 3.58Å; L307-K310 PolarHBondContact O-N 3.29Å; L308-K310 VanDerWaalsContact C-N 3.26Å; L308-K310 PolarHBondContact O-N 3.07Å; K310-F312 VanDerWaalsContact C-N 3.33Å; K310-F312 HydrophobicContact CB-CD2 3.85Å; K310-F312 HydrophobicContact CB-CE2 3.92Å; K310-F312 HydrophobicContact CD-CE2 4.38Å; K310-F312 PolarHBondContact O-N 3.48Å
311K87.4Confident91.4Very high191 Ų19166.8 Ų66.883%0.8335%0.347SS*.THydrogen-bonded Turntrans61.234.3178.7-54.9-175.7176.7-177.10114.1L307 L308 D309L307-K311 PolarHBondContact O-N 2.98Å; L308-K311 WeakPolarHBondContact O-CA 3.47Å; L308-K311 PolarHBondContact O-N 3.44Å; D309-K311 PolarHBondContact O-N 2.9Å
312F90.1Very high91.3Very high74 Ų7467 Ų6733%0.32534%0.342SS..  trans-61.5140.6165.7-81-103.1000109.9P291 L292 L307 K310 V314P291-F312 HydrophobicContact CG-CD1 4.15Å; P291-F312 HydrophobicContact CG-CE1 3.48Å; P291-F312 VanDerWaalsContact CG-CE1 3.48Å; P291-F312 HydrophobicContact CG-CZ 3.98Å; L292-F312 HydrophobicContact CB-CB 4.36Å; L292-F312 HydrophobicContact CD2-CB 3.96Å; L307-F312 HydrophobicContact CB-CD2 4.14Å; L307-F312 HydrophobicContact CB-CG 4.39Å; L307-F312 HydrophobicContact CD2-CD2 3.86Å; L307-F312 HydrophobicContact CD2-CE2 3.59Å; L307-F312 HydrophobicContact CD2-CG 4.41Å; L307-F312 HydrophobicContact CD2-CZ 3.95Å; L307-F312 VanDerWaalsContact O-CD2 3.29Å; L307-F312 WeakPolarHBondContact O-CD2 3.35Å; L307-F312 PolarHBondContact O-N 3.42Å; K310-F312 VanDerWaalsContact C-N 3.33Å; K310-F312 HydrophobicContact CB-CD2 3.85Å; K310-F312 HydrophobicContact CB-CE2 3.92Å; K310-F312 HydrophobicContact CD-CE2 4.38Å; K310-F312 PolarHBondContact O-N 3.48Å; F312-V314 PolarHBondContact O-N 3.26Å
313S90.3Very high91.3Very high61 Ų6160.4 Ų60.443%0.42731%0.307SS..  trans-76.1117.7-176.1175.70000111N315 Q316S313-N315 PolarHBondContact O-N 2.98Å; S313-N315 PolarHBondContact OG-N 2.69Å; S313-Q316 WeakPolarHBondContact O-CB 3.43Å; S313-Q316 PolarHBondContact O-N 3.32Å; S313-Q316 PolarHBondContact OG-N 3.36Å
314V92.8Very high91.4Very high15 Ų1557.8 Ų57.89%0.09129%0.294CS..THydrogen-bonded Turntrans-68-13.6174.8-65.20000113.8L292 L308 F312 L340 G344 C346L292-V314 HydrophobicContact CD2-CG1 4.29Å; L308-V314 HydrophobicContact CD2-CG1 3.29Å; F312-V314 PolarHBondContact O-N 3.26Å; V314-L340 HydrophobicContact CG1-CD2 4.06Å; V314-G344 WeakPolarHBondContact CG2-O 3.37Å; V314-C346 HydrophobicContact CB-CB 4.25Å; V314-C346 HydrophobicContact CG2-CB 4.14Å
315N89.1Confident91.6Very high64 Ų6457.8 Ų57.834%0.34229%0.294SS..THydrogen-bonded Turntrans-104.50.5-179.1-58.2-24.3000112.1S313 L317S313-N315 PolarHBondContact O-N 2.98Å; S313-N315 PolarHBondContact OG-N 2.69Å; N315-L317 PolarHBondContact O-N 2.9Å
316Q90.4Very high91.7Very high76 Ų7656.1 Ų56.136%0.35528%0.282SS..  trans-63.5127.6178.6-178.3175.50.200109.7F290 H293 S313 A323F290-Q316 HydrophobicContact CD1-CG 4.5Å; F290-Q316 HydrophobicContact CE1-CG 4.23Å; H293-Q316 PolarHBondContact CE1-O 3.17Å; H293-Q316 VanDerWaalsContact CE1-O 3.23Å; H293-Q316 PolarHBondContact NE2-O 2.96Å; S313-Q316 WeakPolarHBondContact O-CB 3.43Å; S313-Q316 PolarHBondContact O-N 3.32Å; S313-Q316 PolarHBondContact OG-N 3.36Å; Q316-A323 WeakPolarHBondContact O-CA 3.14Å
317L90.5Very high91.8Very high72 Ų7252.5 Ų52.538%0.37726%0.264SS..  trans-92.2137173.9-57.6-176.4000109.3N315 W322 A323N315-L317 PolarHBondContact O-N 2.9Å; L317-W322 WeakPolarHBondContact CA-O 3.44Å; L317-A323 HydrophobicContact CD2-CB 3.94Å
318D87Confident92Very high7 Ų752 Ų524%0.03726%0.262CS..  trans-86.1-166174.573.6-9.4000112.6W286 F290 D320 H321 W322 Y327W286-D318 PolarHBondContact NE1-OD2 3.38Å; F290-D318 HydrophobicContact CD1-CB 3.87Å; F290-D318 HydrophobicContact CD2-CB 4.08Å; F290-D318 HydrophobicContact CE1-CB 3.87Å; F290-D318 HydrophobicContact CE2-CB 4.09Å; F290-D318 HydrophobicContact CG-CB 3.98Å; F290-D318 HydrophobicContact CZ-CB 3.99Å; D318-D320 PolarHBondContact O-N 3.05Å; D318-D320 PolarHBondContact OD1-N 3.02Å; D318-H321 PolarHBondContact O-N 3.48Å; D318-H321 PolarHBondContact OD1-N 3.22Å; D318-H321 VanDerWaalsContact OD1-N 3.16Å; D318-W322 PolarHBondContact N-O 2.92Å; D318-W322 PolarHBondContact OD1-N 3.3Å; D318-Y327 WeakPolarHBondContact OD2-CE2 3.32Å; D318-Y327 PolarHBondContact OD2-OH 3.35Å
319S87.4Confident92.2Very high74 Ų7451 Ų5152%0.51726%0.256SS..THydrogen-bonded Turntrans-61.9-27.4179.248.30000114.3H321S319-H321 VanDerWaalsContact C-N 3.26Å
320D83.3Confident92.4Very high92 Ų9251.8 Ų51.849%0.49225%0.252SS..THydrogen-bonded Turntrans-90.93.5177.7-65.2-25.8000112.1D318 W322D318-D320 PolarHBondContact O-N 3.05Å; D318-D320 PolarHBondContact OD1-N 3.02Å; D320-W322 VanDerWaalsContact C-N 3.31Å; D320-W322 VanDerWaalsContact O-CD1 3.29Å
321H91.1Very high92.6Very high55 Ų5551.8 Ų51.826%0.25525%0.249SC..SBendtrans63.435-175.6-56.4-65000113D318 S319 N352 G353D318-H321 PolarHBondContact O-N 3.48Å; D318-H321 PolarHBondContact OD1-N 3.22Å; D318-H321 VanDerWaalsContact OD1-N 3.16Å; S319-H321 VanDerWaalsContact C-N 3.26Å; H321-N352 WeakPolarHBondContact O-CA 3.32Å; H321-N352 WeakPolarHBondContact O-CB 3.37Å; H321-G353 PolarHBondContact O-N 3.47Å
322W92.6Very high93Very high35 Ų3543.8 Ų43.813%0.13322%0.221CC..  trans-106.7137.8176.3-78.738.4000111H293 L317 D318 D320 H326 Y327 W330 N352 F361H293-W322 PolarHBondContact CD2-O 2.79Å; H293-W322 VanDerWaalsContact CD2-O 3.28Å; H293-W322 PolarHBondContact NE2-O 2.81Å; L317-W322 WeakPolarHBondContact CA-O 3.44Å; D318-W322 PolarHBondContact N-O 2.92Å; D318-W322 PolarHBondContact OD1-N 3.3Å; D320-W322 VanDerWaalsContact C-N 3.31Å; D320-W322 VanDerWaalsContact O-CD1 3.29Å; W322-H326 HydrophobicContact CB-CB 4.49Å; W322-H326 HydrophobicContact CD2-CB 4.05Å; W322-H326 HydrophobicContact CE3-CB 3.7Å; W322-H326 HydrophobicContact CG-CB 4.4Å; W322-H326 HydrophobicContact CZ3-CB 4.29Å; W322-Y327 HydrophobicContact CB-CD2 4.11Å; W322-Y327 HydrophobicContact CB-CE2 3.44Å; W322-Y327 VanDerWaalsContact CB-CE2 3.44Å; W322-Y327 HydrophobicContact CD2-CE2 4.49Å; W322-Y327 AromaticContact CE3-CD1 3.96Å; W322-Y327 HydrophobicContact CE3-CD1 3.96Å; W322-Y327 HydrophobicContact CE3-CD2 4.19Å; W322-Y327 AromaticContact CE3-CE1 3.88Å; W322-Y327 HydrophobicContact CE3-CE1 3.88Å; W322-Y327 HydrophobicContact CE3-CE2 4.1Å; W322-Y327 HydrophobicContact CE3-CG 4.12Å; W322-Y327 AromaticContact CE3-CZ 3.94Å; W322-Y327 HydrophobicContact CG-CE2 4.31Å; W322-Y327 HydrophobicContact CZ3-CD1 4.29Å; W322-Y327 HydrophobicContact CZ3-CE1 4.37Å; W322-W330 HydrophobicContact CH2-CB 4.29Å; W322-W330 AromaticContact CH2-CD2 3.91Å; W322-W330 HydrophobicContact CH2-CD2 3.91Å; W322-W330 AromaticContact CH2-CE3 3.93Å; W322-W330 HydrophobicContact CH2-CE3 3.93Å; W322-W330 HydrophobicContact CH2-CG 4.09Å; W322-W330 HydrophobicContact CZ3-CB 3.85Å; W322-W330 HydrophobicContact CZ3-CD2 4.31Å; W322-W330 AromaticContact CZ3-CG 4Å; W322-W330 HydrophobicContact CZ3-CG 4Å; W322-N352 PolarHBondContact NE1-ND2 3.22Å; W322-N352 VanDerWaalsContact NE1-ND2 3.15Å; W322-F361 AromaticContact CE2-CZ 3.82Å; W322-F361 HydrophobicContact CH2-CD1 4.15Å; W322-F361 AromaticContact CH2-CE1 3.54Å; W322-F361 HydrophobicContact CH2-CE1 3.54Å; W322-F361 HydrophobicContact CH2-CE2 4.35Å; W322-F361 AromaticContact CH2-CZ 3.65Å; W322-F361 HydrophobicContact CH2-CZ 3.65Å; W322-F361 AromaticContact CZ2-CE1 3.55Å; W322-F361 HydrophobicContact CZ2-CE1 3.55Å; W322-F361 HydrophobicContact CZ2-CE2 4.24Å; W322-F361 AromaticContact CZ2-CZ 3.34Å; W322-F361 HydrophobicContact CZ2-CZ 3.34Å; W322-F361 HydrophobicContact CZ3-CE1 4.45Å; W322-F361 HydrophobicContact CZ3-CZ 4.36Å
323A95.4Very high93.3Very high0 Ų043.7 Ų43.70%022%0.22CC..  trans-87.4159.1166.900000111.5Q316 L317 I325 H326 L350Q316-A323 WeakPolarHBondContact O-CA 3.14Å; L317-A323 HydrophobicContact CD2-CB 3.94Å; A323-I325 HydrophobicContact CB-CG2 4.34Å; A323-I325 PolarHBondContact O-N 2.74Å; A323-I325 VanDerWaalsContact O-N 3.12Å; A323-H326 WeakPolarHBondContact CB-ND1 3.4Å; A323-H326 PolarHBondContact N-ND1 2.89Å; A323-H326 WeakPolarHBondContact O-CB 3.3Å; A323-H326 PolarHBondContact O-N 2.9Å; A323-H326 PolarHBondContact O-ND1 3.23Å; A323-L350 HydrophobicContact CB-CD2 3.42Å; A323-L350 VanDerWaalsContact CB-CD2 3.42Å; A323-L350 HydrophobicContact CB-CG 4.49Å
324P96.8Very high93.7Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-52.3-37.5-179.4-26.633.9000114.4L292 A296 H326 Y327 A328 L340L292-P324 HydrophobicContact CB-CG 4.28Å; L292-P324 HydrophobicContact CD2-CG 3.84Å; L292-P324 HydrophobicContact CG-CB 4.13Å; L292-P324 HydrophobicContact CG-CG 3.78Å; A296-P324 HydrophobicContact CB-CB 3.92Å; A296-P324 WeakPolarHBondContact CB-O 3.44Å; P324-H326 VanDerWaalsContact C-N 3.28Å; P324-H326 PolarHBondContact O-N 3.46Å; P324-Y327 WeakPolarHBondContact O-CB 3.41Å; P324-Y327 PolarHBondContact O-N 3.19Å; P324-A328 PolarHBondContact O-N 3.25Å; P324-L340 HydrophobicContact CB-CD1 4.18Å; P324-L340 HydrophobicContact CB-CD2 4.18Å
325I97.9Very high93.9Very high0 Ų046 Ų460%023%0.225CC..Hα-helixtrans-64.3-30.5179.2-168.6167.1000113.1A323 A328 C329 T337 L340 L341 C346 L350 P358A323-I325 HydrophobicContact CB-CG2 4.34Å; A323-I325 PolarHBondContact O-N 2.74Å; A323-I325 VanDerWaalsContact O-N 3.12Å; I325-A328 PolarHBondContact O-N 3.29Å; I325-C329 WeakPolarHBondContact O-CB 3.44Å; I325-C329 PolarHBondContact O-N 3.29Å; I325-C329 PolarHBondContact O-SG 3.32Å; I325-C329 VanDerWaalsContact O-SG 3.36Å; I325-T337 HydrophobicContact CG1-CG2 4.47Å; I325-L340 HydrophobicContact CB-CD1 4.12Å; I325-L341 HydrophobicContact CD1-CD2 3.69Å; I325-L341 HydrophobicContact CD1-CG 4.06Å; I325-C346 HydrophobicContact CD1-CB 4.37Å; I325-L350 HydrophobicContact CG2-CD2 4.18Å; I325-P358 HydrophobicContact CD1-CB 4.25Å; I325-P358 HydrophobicContact CD1-CG 4Å; I325-P358 HydrophobicContact CG1-CB 4.18Å; I325-P358 HydrophobicContact CG1-CG 4.03Å; I325-P358 HydrophobicContact CG2-CG 3.88Å
326H97.6Very high94.3Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-68.7-39.9176.4-54.2103.2000110.6W322 A323 P324 C329 W330 L350 N352 F361W322-H326 HydrophobicContact CB-CB 4.49Å; W322-H326 HydrophobicContact CD2-CB 4.05Å; W322-H326 HydrophobicContact CE3-CB 3.7Å; W322-H326 HydrophobicContact CG-CB 4.4Å; W322-H326 HydrophobicContact CZ3-CB 4.29Å; A323-H326 WeakPolarHBondContact CB-ND1 3.4Å; A323-H326 PolarHBondContact N-ND1 2.89Å; A323-H326 WeakPolarHBondContact O-CB 3.3Å; A323-H326 PolarHBondContact O-N 2.9Å; A323-H326 PolarHBondContact O-ND1 3.23Å; P324-H326 VanDerWaalsContact C-N 3.28Å; P324-H326 PolarHBondContact O-N 3.46Å; H326-C329 PolarHBondContact O-N 3.09Å; H326-W330 VanDerWaalsContact O-CB 3.24Å; H326-W330 WeakPolarHBondContact O-CB 3.21Å; H326-W330 PolarHBondContact O-N 2.82Å; H326-L350 PolarHBondContact NE2-O 3.43Å; H326-N352 PolarHBondContact NE2-N 2.85Å; H326-F361 HydrophobicContact CB-CD2 3.87Å; H326-F361 HydrophobicContact CB-CE2 3.81Å; H326-F361 AromaticContact CD2-CD2 3.72Å; H326-F361 AromaticContact CD2-CE2 3.56Å; H326-F361 AromaticContact CG-CE2 3.94Å
327Y96.2Very high94.6Very high22 Ų2239.3 Ų39.39%0.08619%0.192CC..Hα-helixtrans-63.6-46.3173.7-76-71.9000112.1W286 H293 C297 D318 W322 P324 C329 W330 Y331W286-Y327 HydrophobicContact CZ2-CE1 4.46Å; W286-Y327 AromaticContact CZ2-CE2 3.94Å; W286-Y327 HydrophobicContact CZ2-CE2 3.94Å; W286-Y327 AromaticContact CZ2-CZ 3.9Å; H293-Y327 HydrophobicContact CB-CD2 4.19Å; H293-Y327 HydrophobicContact CB-CE2 4.38Å; H293-Y327 AromaticContact CD2-CD2 3.97Å; H293-Y327 AromaticContact CD2-CE2 3.85Å; C297-Y327 HydrophobicContact CB-CD1 4.28Å; C297-Y327 HydrophobicContact CB-CG 4.43Å; D318-Y327 WeakPolarHBondContact OD2-CE2 3.32Å; D318-Y327 PolarHBondContact OD2-OH 3.35Å; W322-Y327 HydrophobicContact CB-CD2 4.11Å; W322-Y327 HydrophobicContact CB-CE2 3.44Å; W322-Y327 VanDerWaalsContact CB-CE2 3.44Å; W322-Y327 HydrophobicContact CD2-CE2 4.49Å; W322-Y327 AromaticContact CE3-CD1 3.96Å; W322-Y327 HydrophobicContact CE3-CD1 3.96Å; W322-Y327 HydrophobicContact CE3-CD2 4.19Å; W322-Y327 AromaticContact CE3-CE1 3.88Å; W322-Y327 HydrophobicContact CE3-CE1 3.88Å; W322-Y327 HydrophobicContact CE3-CE2 4.1Å; W322-Y327 HydrophobicContact CE3-CG 4.12Å; W322-Y327 AromaticContact CE3-CZ 3.94Å; W322-Y327 HydrophobicContact CG-CE2 4.31Å; W322-Y327 HydrophobicContact CZ3-CD1 4.29Å; W322-Y327 HydrophobicContact CZ3-CE1 4.37Å; P324-Y327 WeakPolarHBondContact O-CB 3.41Å; P324-Y327 PolarHBondContact O-N 3.19Å; Y327-C329 VanDerWaalsContact C-N 3.33Å; Y327-C329 PolarHBondContact O-N 3.32Å; Y327-W330 PolarHBondContact O-N 3.32Å; Y327-Y331 HydrophobicContact CD1-CD2 4.42Å; Y327-Y331 AromaticContact CD1-CE2 3.96Å; Y327-Y331 HydrophobicContact CD1-CE2 3.96Å; Y327-Y331 WeakPolarHBondContact O-CD2 3.34Å; Y327-Y331 PolarHBondContact O-N 3.02Å
328A97.6Very high95Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-58.6-45.3176.400000111.8A296 P324 I325 G332 K333 A336 T337 L340A296-A328 HydrophobicContact CB-CB 4.26Å; P324-A328 PolarHBondContact O-N 3.25Å; I325-A328 PolarHBondContact O-N 3.29Å; A328-G332 PolarHBondContact O-N 3.37Å; A328-K333 HydrophobicContact CB-CB 4.42Å; A328-K333 PolarHBondContact O-N 3.04Å; A328-A336 HydrophobicContact CB-CB 4.03Å; A328-T337 WeakPolarHBondContact CB-OG1 3.31Å; A328-L340 HydrophobicContact CB-CD1 4.11Å
329C97.9Very high95.4Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-67-39.3176.6-72.80000113.2I325 H326 Y327 G332 F361 A362 H367I325-C329 WeakPolarHBondContact O-CB 3.44Å; I325-C329 PolarHBondContact O-N 3.29Å; I325-C329 PolarHBondContact O-SG 3.32Å; I325-C329 VanDerWaalsContact O-SG 3.36Å; H326-C329 PolarHBondContact O-N 3.09Å; Y327-C329 VanDerWaalsContact C-N 3.33Å; Y327-C329 PolarHBondContact O-N 3.32Å; C329-G332 PolarHBondContact O-N 3.37Å; C329-F361 HydrophobicContact CB-CB 3.87Å; C329-A362 HydrophobicContact CB-CB 4.25Å; C329-H367 PolarHBondContact O-CD2 3.01Å
330W97Very high95.9Very high122 Ų12236.4 Ų36.446%0.46217%0.166SC..Hα-helixtrans-64.2-47.5179.7-179.4-99000111.8W322 H326 Y327 G332 F361 H367W322-W330 HydrophobicContact CH2-CB 4.29Å; W322-W330 AromaticContact CH2-CD2 3.91Å; W322-W330 HydrophobicContact CH2-CD2 3.91Å; W322-W330 AromaticContact CH2-CE3 3.93Å; W322-W330 HydrophobicContact CH2-CE3 3.93Å; W322-W330 HydrophobicContact CH2-CG 4.09Å; W322-W330 HydrophobicContact CZ3-CB 3.85Å; W322-W330 HydrophobicContact CZ3-CD2 4.31Å; W322-W330 AromaticContact CZ3-CG 4Å; W322-W330 HydrophobicContact CZ3-CG 4Å; H326-W330 VanDerWaalsContact O-CB 3.24Å; H326-W330 WeakPolarHBondContact O-CB 3.21Å; H326-W330 PolarHBondContact O-N 2.82Å; Y327-W330 PolarHBondContact O-N 3.32Å; W330-G332 VanDerWaalsContact C-N 3.3Å; W330-G332 PolarHBondContact O-N 2.88Å; W330-F361 AromaticContact CE3-CD1 3.4Å; W330-F361 HydrophobicContact CE3-CD1 3.4Å; W330-F361 AromaticContact CE3-CE1 3.87Å; W330-F361 HydrophobicContact CE3-CE1 3.87Å; W330-F361 HydrophobicContact CE3-CG 4.3Å; W330-F361 AromaticContact CZ3-CD1 3.79Å; W330-F361 HydrophobicContact CZ3-CD1 3.79Å; W330-F361 HydrophobicContact CZ3-CE1 4.01Å; W330-H367 PolarHBondContact O-NE2 3.33Å
331Y95.8Very high96.5Very high127 Ų12732.3 Ų32.350%0.49814%0.144SC..THydrogen-bonded Turntrans-855.1-178.3-71.9-72.8000114.4C297 Y327 K333C297-Y331 HydrophobicContact CB-CD2 3.62Å; C297-Y331 HydrophobicContact CB-CE2 3.75Å; Y327-Y331 HydrophobicContact CD1-CD2 4.42Å; Y327-Y331 AromaticContact CD1-CE2 3.96Å; Y327-Y331 HydrophobicContact CD1-CE2 3.96Å; Y327-Y331 WeakPolarHBondContact O-CD2 3.34Å; Y327-Y331 PolarHBondContact O-N 3.02Å; Y331-K333 VanDerWaalsContact C-N 3.33Å; Y331-K333 PolarHBondContact O-N 2.93Å
332G96Very high96.6Very high23 Ų2335.9 Ų35.924%0.23716%0.16CC..THydrogen-bonded Turntrans69.627.4177.100000114.1A328 C329 W330 V334 H367 I370A328-G332 PolarHBondContact O-N 3.37Å; C329-G332 PolarHBondContact O-N 3.37Å; W330-G332 VanDerWaalsContact C-N 3.3Å; W330-G332 PolarHBondContact O-N 2.88Å; G332-V334 PolarHBondContact O-N 3.26Å; G332-V334 VanDerWaalsContact O-N 3.15Å; G332-H367 VanDerWaalsContact CA-CE1 3.44Å; G332-H367 WeakPolarHBondContact CA-CE1 3.41Å; G332-H367 PolarHBondContact N-NE2 2.74Å; G332-I370 VanDerWaalsContact C-CD1 3.5Å
333K97.8Very high96.7Very high72 Ų7238.1 Ų38.131%0.31317%0.171SC..  trans-84.589.4-178.7-55.9-57.4-177.4158.50111.1A296 C297 E298 A328 Y331 A336 T337A296-K333 WeakPolarHBondContact O-CG 3.41Å; C297-K333 WeakPolarHBondContact O-CE 3.41Å; E298-K333 WeakPolarHBondContact O-CE 3.35Å; E298-K333 PolarHBondContact O-NZ 2.73Å; A328-K333 HydrophobicContact CB-CB 4.42Å; A328-K333 PolarHBondContact O-N 3.04Å; Y331-K333 VanDerWaalsContact C-N 3.33Å; Y331-K333 PolarHBondContact O-N 2.93Å; K333-A336 HydrophobicContact CB-CB 3.83Å; K333-T337 PolarHBondContact O-N 2.65Å; K333-T337 PolarHBondContact O-OG1 2.88Å
334V97.5Very high96.5Very high32 Ų3238.9 Ų38.919%0.19418%0.179CC..Hα-helixtrans-55.2-56.6-177177.70000111.9G332 A336 T337 R338 E369 I370 I373G332-V334 PolarHBondContact O-N 3.26Å; G332-V334 VanDerWaalsContact O-N 3.15Å; V334-A336 PolarHBondContact O-N 3.38Å; V334-T337 WeakPolarHBondContact O-CB 3.45Å; V334-T337 PolarHBondContact O-N 3Å; V334-T337 VanDerWaalsContact O-N 3.15Å; V334-R338 PolarHBondContact O-N 3.49Å; V334-E369 VanDerWaalsContact CG1-CD 3.5Å; V334-E369 HydrophobicContact CG1-CG 3.89Å; V334-E369 WeakPolarHBondContact CG1-OE1 3.36Å; V334-E369 HydrophobicContact CG2-CB 4.14Å; V334-E369 HydrophobicContact CG2-CG 4.18Å; V334-I370 HydrophobicContact CB-CG1 4.44Å; V334-I370 HydrophobicContact CG2-CD1 4.46Å; V334-I370 HydrophobicContact CG2-CG1 3.98Å; V334-I373 HydrophobicContact CG1-CD1 3.67Å
335E97.1Very high96.2Very high92 Ų9246.7 Ų46.743%0.4321%0.213SC..Hα-helixtrans-68.5-38.1-173.3-166.855.9-153.700112S301 T337 R338 M339S301-E335 VanDerWaalsContact OG-CG 3.31Å; S301-E335 WeakPolarHBondContact OG-CG 3.26Å; E335-T337 VanDerWaalsContact C-N 3.3Å; E335-T337 PolarHBondContact O-N 3.16Å; E335-R338 PolarHBondContact O-N 3.3Å; E335-R338 IonicContact OE2-NE 2.75Å; E335-R338 PolarHBondContact OE2-NE 2.91Å; E335-M339 HydrophobicContact CG-SD 4.34Å; E335-M339 WeakPolarHBondContact O-CB 3.46Å; E335-M339 VanDerWaalsContact O-CG 3.26Å; E335-M339 WeakPolarHBondContact O-CG 3.38Å; E335-M339 PolarHBondContact O-N 3.31Å
336A97.4Very high96.1Very high1 Ų146.8 Ų46.81%0.00821%0.214CC..Hα-helixtrans-58.8-43172.100000111.7L304 A328 K333 V334 M339 L340L304-A336 HydrophobicContact CD1-CB 3.86Å; A328-A336 HydrophobicContact CB-CB 4.03Å; K333-A336 HydrophobicContact CB-CB 3.83Å; V334-A336 PolarHBondContact O-N 3.38Å; A336-M339 PolarHBondContact O-N 2.84Å; A336-L340 WeakPolarHBondContact O-CB 3.18Å; A336-L340 WeakPolarHBondContact O-CD1 3.16Å; A336-L340 WeakPolarHBondContact O-CG 3.27Å; A336-L340 PolarHBondContact O-N 3.49Å
337T97.8Very high96Very high0 Ų047 Ų470%022%0.215CC..Hα-helixtrans-64.5-45.5177.8-53.70000111.5I325 A328 K333 V334 E335 M339 L340 L341 I370I325-T337 HydrophobicContact CG1-CG2 4.47Å; A328-T337 WeakPolarHBondContact CB-OG1 3.31Å; K333-T337 PolarHBondContact O-N 2.65Å; K333-T337 PolarHBondContact O-OG1 2.88Å; V334-T337 WeakPolarHBondContact O-CB 3.45Å; V334-T337 PolarHBondContact O-N 3Å; V334-T337 VanDerWaalsContact O-N 3.15Å; E335-T337 VanDerWaalsContact C-N 3.3Å; E335-T337 PolarHBondContact O-N 3.16Å; T337-M339 PolarHBondContact O-N 3.19Å; T337-L340 PolarHBondContact O-N 3.25Å; T337-L341 HydrophobicContact CG2-CD1 4.06Å; T337-L341 WeakPolarHBondContact O-CG 3.38Å; T337-L341 PolarHBondContact O-N 3.39Å; T337-I370 HydrophobicContact CG2-CG2 3.94Å
338R97.4Very high96Very high69 Ų6946 Ų4626%0.2621%0.211SC..Hα-helixtrans-56.6-50.8176-174.7-172.1-54.4-71.1-2.2111.1V334 E335 L340 L341 E342V334-R338 PolarHBondContact O-N 3.49Å; E335-R338 PolarHBondContact O-N 3.3Å; E335-R338 IonicContact OE2-NE 2.75Å; E335-R338 PolarHBondContact OE2-NE 2.91Å; R338-L340 PolarHBondContact O-N 3.24Å; R338-L341 PolarHBondContact O-N 2.74Å; R338-E342 VanDerWaalsContact CG-CD 3.47Å; R338-E342 HydrophobicContact CG-CG 4.29Å; R338-E342 VanDerWaalsContact CG-OE1 3.27Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 IonicContact NH1-OE1 2.71Å; R338-E342 WeakPolarHBondContact O-CB 3.43Å; R338-E342 WeakPolarHBondContact O-CG 3.41Å; R338-E342 PolarHBondContact O-N 3Å
339M96.1Very high96Very high23 Ų2346.1 Ų46.111%0.11321%0.211CC..Hα-helixtrans-62.4-40.6-179.8-7217972.600112.9S301 L304 S305 E335 A336 T337 L341 K343 G344S301-M339 VanDerWaalsContact CB-SD 3.6Å; S301-M339 WeakPolarHBondContact O-CE 3.28Å; L304-M339 HydrophobicContact CD2-CB 3.61Å; L304-M339 HydrophobicContact CD2-CE 3.91Å; L304-M339 HydrophobicContact CD2-SD 4.17Å; S305-M339 VanDerWaalsContact CA-CE 3.49Å; E335-M339 HydrophobicContact CG-SD 4.34Å; E335-M339 WeakPolarHBondContact O-CB 3.46Å; E335-M339 VanDerWaalsContact O-CG 3.26Å; E335-M339 WeakPolarHBondContact O-CG 3.38Å; E335-M339 PolarHBondContact O-N 3.31Å; A336-M339 PolarHBondContact O-N 2.84Å; T337-M339 PolarHBondContact O-N 3.19Å; M339-L341 VanDerWaalsContact C-N 3.34Å; M339-L341 PolarHBondContact O-N 3.37Å; M339-K343 WeakPolarHBondContact O-CA 3.46Å; M339-K343 VanDerWaalsContact O-CB 3.32Å; M339-K343 WeakPolarHBondContact O-CB 3.47Å; M339-K343 PolarHBondContact O-N 3.31Å; M339-G344 PolarHBondContact O-N 2.99Å
340L96.9Very high95.8Very high0 Ų047.4 Ų47.40%022%0.218CC..Hα-helixtrans-63.7-38.6176.8-75167.2000112.1A296 L304 L308 V314 P324 I325 A328 A336 T337 R338 G344 K345 C346A296-L340 HydrophobicContact CB-CD1 4.15Å; L304-L340 HydrophobicContact CD1-CD1 4.32Å; L304-L340 HydrophobicContact CD1-CD2 4.43Å; L304-L340 HydrophobicContact CD1-CG 4.16Å; L304-L340 HydrophobicContact CD2-CD2 4.4Å; L304-L340 HydrophobicContact CD2-CG 4.27Å; L308-L340 HydrophobicContact CD2-CD2 4.44Å; V314-L340 HydrophobicContact CG1-CD2 4.06Å; P324-L340 HydrophobicContact CB-CD1 4.18Å; P324-L340 HydrophobicContact CB-CD2 4.18Å; I325-L340 HydrophobicContact CB-CD1 4.12Å; A328-L340 HydrophobicContact CB-CD1 4.11Å; A336-L340 WeakPolarHBondContact O-CB 3.18Å; A336-L340 WeakPolarHBondContact O-CD1 3.16Å; A336-L340 WeakPolarHBondContact O-CG 3.27Å; A336-L340 PolarHBondContact O-N 3.49Å; T337-L340 PolarHBondContact O-N 3.25Å; R338-L340 PolarHBondContact O-N 3.24Å; L340-G344 CarbonylContact O-C 3.54Å; L340-G344 VanDerWaalsContact O-C 3.3Å; L340-G344 WeakPolarHBondContact O-CA 3.41Å; L340-G344 PolarHBondContact O-N 2.91Å; L340-K345 PolarHBondContact O-N 3.28Å; L340-C346 WeakPolarHBondContact O-CB 3.21Å; L340-C346 PolarHBondContact O-N 2.88Å
341L96.4Very high95.6Very high6 Ų644.5 Ų44.53%0.03121%0.211CC..Hα-helixtrans-73.8-49176.9-68.8169.8000112.1I325 T337 R338 M339 K345 P348 I373 L374I325-L341 HydrophobicContact CD1-CD2 3.69Å; I325-L341 HydrophobicContact CD1-CG 4.06Å; T337-L341 HydrophobicContact CG2-CD1 4.06Å; T337-L341 WeakPolarHBondContact O-CG 3.38Å; T337-L341 PolarHBondContact O-N 3.39Å; R338-L341 PolarHBondContact O-N 2.74Å; M339-L341 VanDerWaalsContact C-N 3.34Å; M339-L341 PolarHBondContact O-N 3.37Å; L341-K345 VanDerWaalsContact O-CA 3.26Å; L341-K345 WeakPolarHBondContact O-CA 3.35Å; L341-K345 PolarHBondContact O-N 2.92Å; L341-P348 HydrophobicContact CD2-CB 3.92Å; L341-I373 HydrophobicContact CD1-CG2 3.74Å; L341-L374 HydrophobicContact CD1-CD2 3.9Å; L341-L374 HydrophobicContact CD2-CD2 4.48Å
342E94.4Very high95.2Very high129 Ų12938.7 Ų38.760%0.60319%0.189SC*.Hα-helixtrans-81.6-53.9-171.2-66176.9-173.600112.5R338R338-E342 VanDerWaalsContact CG-CD 3.47Å; R338-E342 HydrophobicContact CG-CG 4.29Å; R338-E342 VanDerWaalsContact CG-OE1 3.27Å; R338-E342 WeakPolarHBondContact CG-OE1 3.47Å; R338-E342 IonicContact NH1-OE1 2.71Å; R338-E342 WeakPolarHBondContact O-CB 3.43Å; R338-E342 WeakPolarHBondContact O-CG 3.41Å; R338-E342 PolarHBondContact O-N 3Å
343K93.5Very high94.6Very high82 Ų8238.5 Ų38.536%0.35719%0.187SC..THydrogen-bonded Turntrans-81.8-44.2-179.6-170.6-178-172.9-171.40111.1S305 L308 D309 M339 K345S305-K343 PolarHBondContact O-NZ 2.84Å; S305-K343 PolarHBondContact OG-NZ 3.49Å; L308-K343 HydrophobicContact CB-CD 4.28Å; L308-K343 HydrophobicContact CD1-CB 4.1Å; L308-K343 HydrophobicContact CD1-CD 4.12Å; L308-K343 HydrophobicContact CD1-CG 4.21Å; D309-K343 WeakPolarHBondContact OD1-CE 3.29Å; D309-K343 IonicContact OD1-NZ 3.72Å; D309-K343 PolarHBondContact OD1-NZ 2.8Å; D309-K343 IonicContact OD2-NZ 3.72Å; D309-K343 PolarHBondContact OD2-NZ 3.15Å; M339-K343 WeakPolarHBondContact O-CA 3.46Å; M339-K343 VanDerWaalsContact O-CB 3.32Å; M339-K343 WeakPolarHBondContact O-CB 3.47Å; M339-K343 PolarHBondContact O-N 3.31Å; K343-K345 VanDerWaalsContact C-N 3.29Å; K343-K345 PolarHBondContact O-N 2.77Å
344G91Very high94.1Very high16 Ų1638.9 Ų38.917%0.16519%0.19CC..SBendtrans-75.5-14.7-179.200000114.4V314 M339 L340 C346V314-G344 WeakPolarHBondContact CG2-O 3.37Å; M339-G344 PolarHBondContact O-N 2.99Å; L340-G344 CarbonylContact O-C 3.54Å; L340-G344 VanDerWaalsContact O-C 3.3Å; L340-G344 WeakPolarHBondContact O-CA 3.41Å; L340-G344 PolarHBondContact O-N 2.91Å; G344-C346 PolarHBondContact O-N 2.74Å
345K91.8Very high93.8Very high164 Ų16440.9 Ų40.971%0.71320%0.199SC*.  trans5134.9-174.1-58.3-176.9179.9-179.20112.4L340 L341 K343L340-K345 PolarHBondContact O-N 3.28Å; L341-K345 VanDerWaalsContact O-CA 3.26Å; L341-K345 WeakPolarHBondContact O-CA 3.35Å; L341-K345 PolarHBondContact O-N 2.92Å; K343-K345 VanDerWaalsContact C-N 3.29Å; K343-K345 PolarHBondContact O-N 2.77Å
346C94.2Very high93.6Very high2 Ų237.4 Ų37.41%0.01419%0.185CC..  trans-65.9147.6-178.1-170.70000110.7V314 I325 L340 G344 P348V314-C346 HydrophobicContact CB-CB 4.25Å; V314-C346 HydrophobicContact CG2-CB 4.14Å; I325-C346 HydrophobicContact CD1-CB 4.37Å; L340-C346 WeakPolarHBondContact O-CB 3.21Å; L340-C346 PolarHBondContact O-N 2.88Å; G344-C346 PolarHBondContact O-N 2.74Å; C346-P348 WeakPolarHBondContact O-CD 3.47Å
347N95.5Very high93.5Very high6 Ų637.3 Ų37.33%0.03219%0.185CC..  trans-66.8118.8172.6-173.7-3.9000110.3N349 L350 N440 R485N347-N349 PolarHBondContact O-N 3.27Å; N347-N349 VanDerWaalsContact O-N 3.1Å; N347-N349 PolarHBondContact OD1-N 3.31Å; N347-L350 HydrophobicContact CB-CB 4.1Å; N347-L350 WeakPolarHBondContact O-CB 3.44Å; N347-L350 PolarHBondContact O-N 3.1Å; N347-L350 VanDerWaalsContact O-N 3.09Å; N347-N440 PolarHBondContact OD1-ND2 3.03Å; N347-N440 PolarHBondContact OD1-OD1 3.37Å; N347-R485 PolarHBondContact ND2-NH1 2.99Å
348P96.8Very high93.6Very high0 Ų037.3 Ų37.30%019%0.185CC..THydrogen-bonded Turntrans-64.9-17.2176.232.3-41.4000112.9L341 C346 P358 L374 H377 E379 I380L341-P348 HydrophobicContact CD2-CB 3.92Å; C346-P348 WeakPolarHBondContact O-CD 3.47Å; P348-P358 WeakPolarHBondContact O-CG 3.46Å; P348-L374 HydrophobicContact CB-CD2 4.13Å; P348-H377 HydrophobicContact CB-CB 4.4Å; P348-H377 WeakPolarHBondContact CG-ND1 3.47Å; P348-E379 HydrophobicContact CG-CB 3.87Å; P348-I380 HydrophobicContact CB-CD1 3.9Å
349N96.9Very high93.6Very high2 Ų234.1 Ų34.11%0.01117%0.172CC..THydrogen-bonded Turntrans-107.719.5178.8-50.4-46.6000112.6N347 L351 E379 I380 D381 I384 N440N347-N349 PolarHBondContact O-N 3.27Å; N347-N349 VanDerWaalsContact O-N 3.1Å; N347-N349 PolarHBondContact OD1-N 3.31Å; N349-L351 PolarHBondContact O-N 3.42Å; N349-E379 PolarHBondContact ND2-O 2.95Å; N349-I380 WeakPolarHBondContact OD1-CD1 3.16Å; N349-D381 HydrophobicContact CB-CB 4.49Å; N349-D381 PolarHBondContact ND2-N 3.48Å; N349-D381 WeakPolarHBondContact OD1-CB 3.19Å; N349-D381 PolarHBondContact OD1-N 2.89Å; N349-I384 HydrophobicContact CB-CD1 4.08Å; N349-N440 PolarHBondContact ND2-OD1 3.25Å
350L94.7Very high93.7Very high27 Ų2733.3 Ų33.314%0.14117%0.168CC..  trans-54.4136.8176.6-170.557.4000109.3A323 I325 H326 N347 S357 P358A323-L350 HydrophobicContact CB-CD2 3.42Å; A323-L350 VanDerWaalsContact CB-CD2 3.42Å; A323-L350 HydrophobicContact CB-CG 4.49Å; I325-L350 HydrophobicContact CG2-CD2 4.18Å; H326-L350 PolarHBondContact NE2-O 3.43Å; N347-L350 HydrophobicContact CB-CB 4.1Å; N347-L350 WeakPolarHBondContact O-CB 3.44Å; N347-L350 PolarHBondContact O-N 3.1Å; N347-L350 VanDerWaalsContact O-N 3.09Å; L350-S357 WeakPolarHBondContact O-CA 3.37Å; L350-P358 WeakPolarHBondContact O-CD 3.36Å
351L93.3Very high93.7Very high61 Ų6134.2 Ų34.232%0.31917%0.172SC..  trans-100.5138.6175.9-65.7-177.5000109.2N349 L355 I384N349-L351 PolarHBondContact O-N 3.42Å; L351-L355 HydrophobicContact CD1-CD2 4.13Å; L351-I384 HydrophobicContact CD2-CD1 4.02Å
352N87.6Confident93.8Very high6 Ų633.9 Ų33.93%0.03217%0.171CC..  trans-79.8-179.3167.279.1-11000111.2H321 W322 H326 Q354 L355 S356 F361H321-N352 WeakPolarHBondContact O-CA 3.32Å; H321-N352 WeakPolarHBondContact O-CB 3.37Å; W322-N352 PolarHBondContact NE1-ND2 3.22Å; W322-N352 VanDerWaalsContact NE1-ND2 3.15Å; H326-N352 PolarHBondContact NE2-N 2.85Å; N352-Q354 PolarHBondContact ND2-OE1 3.42Å; N352-Q354 PolarHBondContact O-N 3.32Å; N352-Q354 VanDerWaalsContact O-N 3.17Å; N352-Q354 VanDerWaalsContact OD1-C 3.27Å; N352-Q354 WeakPolarHBondContact OD1-CA 3.3Å; N352-Q354 PolarHBondContact OD1-N 3.03Å; N352-L355 PolarHBondContact O-N 3.45Å; N352-L355 PolarHBondContact OD1-N 3.04Å; N352-L355 VanDerWaalsContact OD1-N 3.11Å; N352-S356 PolarHBondContact N-O 3.48Å; N352-S356 WeakPolarHBondContact OD1-CB 3.45Å; N352-S356 PolarHBondContact OD1-N 3.36Å; N352-S356 PolarHBondContact OD1-O 3.41Å; N352-F361 VanDerWaalsContact ND2-CZ 3.26Å; N352-F361 WeakPolarHBondContact ND2-CZ 3.23Å
353G83.3Confident93.9Very high19 Ų1927.8 Ų27.820%0.19614%0.142CC..THydrogen-bonded Turntrans-61.7-20.4179.100000115.4H321H321-G353 PolarHBondContact O-N 3.47Å
354Q86.3Confident94.1Very high79 Ų7924 Ų2437%0.36913%0.127SC..THydrogen-bonded Turntrans-99.319.8174.8-56.481.617.300112.4N352 S356 Q387N352-Q354 PolarHBondContact ND2-OE1 3.42Å; N352-Q354 PolarHBondContact O-N 3.32Å; N352-Q354 VanDerWaalsContact O-N 3.17Å; N352-Q354 VanDerWaalsContact OD1-C 3.27Å; N352-Q354 WeakPolarHBondContact OD1-CA 3.3Å; N352-Q354 PolarHBondContact OD1-N 3.03Å; Q354-S356 PolarHBondContact O-N 3.45Å; Q354-S356 VanDerWaalsContact O-N 3.09Å; Q354-Q387 WeakPolarHBondContact O-CB 3.46Å
355L91.4Very high94.3Very high75 Ų7523.5 Ų23.539%0.39312%0.121SC..SBendtrans55.227.2179.3-50.7176.9000114.4L351 N352 D386 Q387L351-L355 HydrophobicContact CD1-CD2 4.13Å; N352-L355 PolarHBondContact O-N 3.45Å; N352-L355 PolarHBondContact OD1-N 3.04Å; N352-L355 VanDerWaalsContact OD1-N 3.11Å; L355-D386 WeakPolarHBondContact O-CA 3.44Å; L355-Q387 HydrophobicContact CB-CB 4.17Å; L355-Q387 HydrophobicContact CD1-CB 4.41Å; L355-Q387 HydrophobicContact CD1-CG 4.42Å
356S92.1Very high94.5Very high18 Ų1815.7 Ų15.713%0.1269%0.088CC..  trans-95.2145.5172.8-60.10000110.2N352 Q354N352-S356 PolarHBondContact N-O 3.48Å; N352-S356 WeakPolarHBondContact OD1-CB 3.45Å; N352-S356 PolarHBondContact OD1-N 3.36Å; N352-S356 PolarHBondContact OD1-O 3.41Å; Q354-S356 PolarHBondContact O-N 3.45Å; Q354-S356 VanDerWaalsContact O-N 3.09Å
357S97Very high94.7Very high0 Ų017.2 Ų17.20%010%0.095CC..  trans-104.2163.9-177.175.80000112.8L350 L359 H360 F361 I384L350-S357 WeakPolarHBondContact O-CA 3.37Å; S357-L359 PolarHBondContact O-N 3.19Å; S357-L359 VanDerWaalsContact O-N 3.14Å; S357-L359 PolarHBondContact OG-N 3.33Å; S357-H360 PolarHBondContact N-ND1 3.1Å; S357-H360 WeakPolarHBondContact O-CB 3.42Å; S357-H360 PolarHBondContact O-N 3.41Å; S357-H360 PolarHBondContact OG-N 2.85Å; S357-H360 PolarHBondContact OG-ND1 3.04Å; S357-F361 WeakPolarHBondContact O-CD2 3.48Å; S357-F361 PolarHBondContact O-N 2.95Å; S357-I384 VanDerWaalsContact CB-CD1 3.49Å
358P98.1Very high94.8Very high0 Ų017.3 Ų17.30%010%0.096CC..Hα-helixtrans-48.7-38170.1-32.235.2000113.4I325 P348 L350 F361 A362 L374I325-P358 HydrophobicContact CD1-CB 4.25Å; I325-P358 HydrophobicContact CD1-CG 4Å; I325-P358 HydrophobicContact CG1-CB 4.18Å; I325-P358 HydrophobicContact CG1-CG 4.03Å; I325-P358 HydrophobicContact CG2-CG 3.88Å; P348-P358 WeakPolarHBondContact O-CG 3.46Å; L350-P358 WeakPolarHBondContact O-CD 3.36Å; P358-F361 PolarHBondContact O-N 2.94Å; P358-A362 WeakPolarHBondContact O-CB 3.4Å; P358-A362 PolarHBondContact O-N 3.25Å; P358-L374 HydrophobicContact CB-CD1 4.1Å; P358-L374 HydrophobicContact CB-CD2 4.17Å
359L98.1Very high94.8Very high1 Ų122.5 Ų22.51%0.00512%0.12CC..Hα-helixtrans-67.9-35.3178.8-169.959.9000112.3S357 A363 V371 L374 L375 I380 I384 P392 L411S357-L359 PolarHBondContact O-N 3.19Å; S357-L359 VanDerWaalsContact O-N 3.14Å; S357-L359 PolarHBondContact OG-N 3.33Å; L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.06Å; L359-V371 HydrophobicContact CD1-CG1 4.19Å; L359-V371 HydrophobicContact CD1-CG2 4.3Å; L359-L374 HydrophobicContact CB-CD1 4.23Å; L359-L374 HydrophobicContact CD1-CB 4.12Å; L359-L374 HydrophobicContact CD1-CD1 4.04Å; L359-L375 HydrophobicContact CD1-CD2 4.49Å; L359-L375 HydrophobicContact CD1-CG 4.47Å; L359-L375 HydrophobicContact CD2-CD2 4.32Å; L359-I380 HydrophobicContact CD2-CD1 4.39Å; L359-I380 HydrophobicContact CD2-CG1 4.48Å; L359-I384 HydrophobicContact CD2-CG2 4.4Å; L359-P392 HydrophobicContact CB-CG 4.21Å; L359-P392 HydrophobicContact CD2-CB 4.33Å; L359-P392 HydrophobicContact CD2-CG 3.83Å; L359-P392 HydrophobicContact CG-CB 3.89Å; L359-P392 HydrophobicContact CG-CG 3.74Å; L359-L411 HydrophobicContact CD1-CD2 4.17Å; L359-L411 HydrophobicContact CD2-CD2 4.43Å; L359-L411 HydrophobicContact CG-CD2 4.44Å
360H97.8Very high94.9Very high6 Ų622.4 Ų22.43%0.02812%0.12CC..Hα-helixtrans-64.8-42.5173.6-70.791.4000111.7S357 G364 D386 R390S357-H360 PolarHBondContact N-ND1 3.1Å; S357-H360 WeakPolarHBondContact O-CB 3.42Å; S357-H360 PolarHBondContact O-N 3.41Å; S357-H360 PolarHBondContact OG-N 2.85Å; S357-H360 PolarHBondContact OG-ND1 3.04Å; H360-G364 WeakPolarHBondContact O-CA 3.37Å; H360-G364 PolarHBondContact O-N 2.92Å; H360-D386 PolarHBondContact CE1-N 3.29Å; H360-D386 PolarHBondContact NE2-N 3.18Å; H360-R390 PolarHBondContact NE2-O 3.21Å
361F97.6Very high95.1Very high19 Ų1921.1 Ų21.18%0.08311%0.113CC..Hα-helixtrans-70.2-44.5179.7-68.8-54.9000112.7W322 H326 C329 W330 N352 S357 P358 A363 G365W322-F361 AromaticContact CE2-CZ 3.82Å; W322-F361 HydrophobicContact CH2-CD1 4.15Å; W322-F361 AromaticContact CH2-CE1 3.54Å; W322-F361 HydrophobicContact CH2-CE1 3.54Å; W322-F361 HydrophobicContact CH2-CE2 4.35Å; W322-F361 AromaticContact CH2-CZ 3.65Å; W322-F361 HydrophobicContact CH2-CZ 3.65Å; W322-F361 AromaticContact CZ2-CE1 3.55Å; W322-F361 HydrophobicContact CZ2-CE1 3.55Å; W322-F361 HydrophobicContact CZ2-CE2 4.24Å; W322-F361 AromaticContact CZ2-CZ 3.34Å; W322-F361 HydrophobicContact CZ2-CZ 3.34Å; W322-F361 HydrophobicContact CZ3-CE1 4.45Å; W322-F361 HydrophobicContact CZ3-CZ 4.36Å; H326-F361 HydrophobicContact CB-CD2 3.87Å; H326-F361 HydrophobicContact CB-CE2 3.81Å; H326-F361 AromaticContact CD2-CD2 3.72Å; H326-F361 AromaticContact CD2-CE2 3.56Å; H326-F361 AromaticContact CG-CE2 3.94Å; C329-F361 HydrophobicContact CB-CB 3.87Å; W330-F361 AromaticContact CE3-CD1 3.4Å; W330-F361 HydrophobicContact CE3-CD1 3.4Å; W330-F361 AromaticContact CE3-CE1 3.87Å; W330-F361 HydrophobicContact CE3-CE1 3.87Å; W330-F361 HydrophobicContact CE3-CG 4.3Å; W330-F361 AromaticContact CZ3-CD1 3.79Å; W330-F361 HydrophobicContact CZ3-CD1 3.79Å; W330-F361 HydrophobicContact CZ3-CE1 4.01Å; N352-F361 VanDerWaalsContact ND2-CZ 3.26Å; N352-F361 WeakPolarHBondContact ND2-CZ 3.23Å; S357-F361 WeakPolarHBondContact O-CD2 3.48Å; S357-F361 PolarHBondContact O-N 2.95Å; P358-F361 PolarHBondContact O-N 2.94Å; F361-A363 VanDerWaalsContact C-N 3.33Å; F361-A363 PolarHBondContact O-N 3.1Å; F361-G365 PolarHBondContact O-N 3.18Å
362A97.9Very high95.3Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-61.4-42.8175.600000111.5C329 P358 G366 H367 I370 V371 L374C329-A362 HydrophobicContact CB-CB 4.25Å; P358-A362 WeakPolarHBondContact O-CB 3.4Å; P358-A362 PolarHBondContact O-N 3.25Å; A362-G366 PolarHBondContact O-N 3.44Å; A362-H367 PolarHBondContact O-N 3.37Å; A362-I370 HydrophobicContact CB-CB 4.08Å; A362-I370 HydrophobicContact CB-CG2 3.53Å; A362-V371 HydrophobicContact CB-CG2 3.65Å; A362-L374 HydrophobicContact CB-CD1 4.01Å
363A97.8Very high95.8Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-71.3-44.3178.800000112.9L359 F361 G365 G366 V371 P392 C396 T407 L411L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.06Å; F361-A363 VanDerWaalsContact C-N 3.33Å; F361-A363 PolarHBondContact O-N 3.1Å; A363-G365 VanDerWaalsContact C-N 3.27Å; A363-G365 PolarHBondContact O-N 3.03Å; A363-G366 PolarHBondContact O-N 3.43Å; A363-V371 HydrophobicContact CB-CG2 4.31Å; A363-P392 HydrophobicContact CB-CB 3.85Å; A363-P392 WeakPolarHBondContact CB-O 3.48Å; A363-C396 HydrophobicContact CB-CB 4.16Å; A363-C396 WeakPolarHBondContact O-CA 3.38Å; A363-C396 WeakPolarHBondContact O-CB 3.38Å; A363-C396 PolarHBondContact O-SG 3.03Å; A363-T407 HydrophobicContact CB-CG2 4.27Å; A363-L411 HydrophobicContact CB-CD1 3.87Å
364G96.7Very high96.5Very high4 Ų421 Ų214%0.04111%0.106CC..Hα-helixtrans-66.5-27.3179.300000114H360 N399H360-G364 WeakPolarHBondContact O-CA 3.37Å; H360-G364 PolarHBondContact O-N 2.92Å; G364-N399 WeakPolarHBondContact O-CB 3.36Å; G364-N399 PolarHBondContact O-ND2 3.12Å; G364-N399 VanDerWaalsContact O-ND2 3.1Å
365G94.9Very high96.9Very high4 Ų417.8 Ų17.84%0.0419%0.091CC..THydrogen-bonded Turntrans-86.6-2.417000000114.2F361 A363 H367 N402F361-G365 PolarHBondContact O-N 3.18Å; A363-G365 VanDerWaalsContact C-N 3.27Å; A363-G365 PolarHBondContact O-N 3.03Å; G365-H367 VanDerWaalsContact C-N 3.31Å; G365-H367 PolarHBondContact O-N 3.45Å; G365-N402 WeakPolarHBondContact O-CB 3.46Å; G365-N402 PolarHBondContact O-ND2 2.82Å
366G96.5Very high97.1Very high1 Ų118.9 Ų18.91%0.0110%0.097CC..THydrogen-bonded Turntrans61.234.6-178.500000114.4A362 A363 A368 Q401 E403 T407A362-G366 PolarHBondContact O-N 3.44Å; A363-G366 PolarHBondContact O-N 3.43Å; G366-A368 PolarHBondContact O-N 3.44Å; G366-Q401 WeakPolarHBondContact CA-O 3.24Å; G366-E403 CarbonylContact O-C 3.46Å; G366-E403 WeakPolarHBondContact O-CA 3.22Å; G366-E403 WeakPolarHBondContact O-CB 3.41Å; G366-E403 PolarHBondContact O-N 3.24Å; G366-T407 PolarHBondContact O-OG1 3.06Å
367H97.8Very high97.3Very high34 Ų3419.9 Ų19.916%0.15710%0.1CC..  trans-89.580.5-178.8-57.9-56.5000110.3C329 W330 G332 A362 G365 E369 I370 V371 N402C329-H367 PolarHBondContact O-CD2 3.01Å; W330-H367 PolarHBondContact O-NE2 3.33Å; G332-H367 VanDerWaalsContact CA-CE1 3.44Å; G332-H367 WeakPolarHBondContact CA-CE1 3.41Å; G332-H367 PolarHBondContact N-NE2 2.74Å; A362-H367 PolarHBondContact O-N 3.37Å; G365-H367 VanDerWaalsContact C-N 3.31Å; G365-H367 PolarHBondContact O-N 3.45Å; H367-E369 VanDerWaalsContact C-N 3.32Å; H367-E369 PolarHBondContact O-N 3.25Å; H367-I370 HydrophobicContact CB-CB 4.24Å; H367-I370 HydrophobicContact CB-CD1 4.14Å; H367-I370 HydrophobicContact CB-CG1 4.42Å; H367-I370 PolarHBondContact O-N 2.99Å; H367-I370 VanDerWaalsContact O-N 3.14Å; H367-V371 PolarHBondContact O-N 2.85Å; H367-N402 PolarHBondContact CE1-ND2 3.49Å
368A97.8Very high97.1Very high7 Ų723.2 Ų23.26%0.05812%0.122CC..Hα-helixtrans-56.6-41.4-170.200000113.2G366 I370 V371 Q372 E403 E406 T407 L410G366-A368 PolarHBondContact O-N 3.44Å; A368-I370 PolarHBondContact O-N 2.87Å; A368-V371 PolarHBondContact O-N 2.76Å; A368-Q372 WeakPolarHBondContact O-CB 3.43Å; A368-Q372 PolarHBondContact O-N 3.35Å; A368-E403 HydrophobicContact CB-CB 4.25Å; A368-E406 HydrophobicContact CB-CB 4.33Å; A368-E406 HydrophobicContact CB-CG 4.17Å; A368-T407 WeakPolarHBondContact CA-OG1 3.43Å; A368-T407 PolarHBondContact N-OG1 2.92Å; A368-L410 HydrophobicContact CB-CD1 4.17Å; A368-L410 WeakPolarHBondContact O-CD1 3.18Å
369E98Very high97Very high109 Ų10925.9 Ų25.951%0.50913%0.134SC..Hα-helixtrans-63.9-40.3179.5-170.2175178.600112.6V334 H367 Q372 I373V334-E369 VanDerWaalsContact CG1-CD 3.5Å; V334-E369 HydrophobicContact CG1-CG 3.89Å; V334-E369 WeakPolarHBondContact CG1-OE1 3.36Å; V334-E369 HydrophobicContact CG2-CB 4.14Å; V334-E369 HydrophobicContact CG2-CG 4.18Å; H367-E369 VanDerWaalsContact C-N 3.32Å; H367-E369 PolarHBondContact O-N 3.25Å; E369-Q372 WeakPolarHBondContact O-CB 3.26Å; E369-Q372 PolarHBondContact O-N 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.35Å; E369-I373 PolarHBondContact O-N 3.38Å
370I98.3Very high96.9Very high1 Ų126.3 Ų26.31%0.00514%0.137CC..Hα-helixtrans-68.5-41.6176.4-66.5174.3000110.8G332 V334 T337 A362 H367 A368 Q372 I373 L374G332-I370 VanDerWaalsContact C-CD1 3.5Å; V334-I370 HydrophobicContact CB-CG1 4.44Å; V334-I370 HydrophobicContact CG2-CD1 4.46Å; V334-I370 HydrophobicContact CG2-CG1 3.98Å; T337-I370 HydrophobicContact CG2-CG2 3.94Å; A362-I370 HydrophobicContact CB-CB 4.08Å; A362-I370 HydrophobicContact CB-CG2 3.53Å; H367-I370 HydrophobicContact CB-CB 4.24Å; H367-I370 HydrophobicContact CB-CD1 4.14Å; H367-I370 HydrophobicContact CB-CG1 4.42Å; H367-I370 PolarHBondContact O-N 2.99Å; H367-I370 VanDerWaalsContact O-N 3.14Å; A368-I370 PolarHBondContact O-N 2.87Å; I370-Q372 PolarHBondContact O-N 2.79Å; I370-I373 WeakPolarHBondContact O-CB 3.32Å; I370-I373 PolarHBondContact O-N 2.95Å; I370-I373 VanDerWaalsContact O-N 3.16Å; I370-L374 HydrophobicContact CG2-CD1 4.01Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CG 3.26Å; I370-L374 PolarHBondContact O-N 3.46Å
371V98.2Very high96.9Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-59.5-40.6174.6169.60000110.4L359 A362 A363 H367 A368 I373 L374 L375 T407 L410 L411L359-V371 HydrophobicContact CD1-CG1 4.19Å; L359-V371 HydrophobicContact CD1-CG2 4.3Å; A362-V371 HydrophobicContact CB-CG2 3.65Å; A363-V371 HydrophobicContact CB-CG2 4.31Å; H367-V371 PolarHBondContact O-N 2.85Å; A368-V371 PolarHBondContact O-N 2.76Å; V371-I373 PolarHBondContact O-N 3.08Å; V371-L374 PolarHBondContact O-N 3.47Å; V371-L375 HydrophobicContact CG1-CD1 3.51Å; V371-L375 HydrophobicContact CG1-CG 4.15Å; V371-L375 WeakPolarHBondContact O-CB 3.38Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 2.8Å; V371-T407 HydrophobicContact CB-CG2 4.19Å; V371-T407 HydrophobicContact CG1-CG2 4.25Å; V371-T407 HydrophobicContact CG2-CG2 3.69Å; V371-L410 HydrophobicContact CG1-CB 4.41Å; V371-L411 HydrophobicContact CG1-CD2 3.98Å; V371-L411 HydrophobicContact CG1-CG 4.08Å
372Q97.6Very high96.7Very high60 Ų6026.9 Ų26.928%0.2814%0.138SC..Hα-helixtrans-62.4-42.1174.9-173.657.584.900112.6A368 E369 I370 N376 L410A368-Q372 WeakPolarHBondContact O-CB 3.43Å; A368-Q372 PolarHBondContact O-N 3.35Å; E369-Q372 WeakPolarHBondContact O-CB 3.26Å; E369-Q372 PolarHBondContact O-N 3.29Å; I370-Q372 PolarHBondContact O-N 2.79Å; Q372-N376 VanDerWaalsContact NE2-CG 3.28Å; Q372-N376 PolarHBondContact NE2-ND2 3.49Å; Q372-N376 PolarHBondContact NE2-OD1 2.96Å; Q372-N376 WeakPolarHBondContact O-CB 3.29Å; Q372-N376 PolarHBondContact O-N 3.07Å; Q372-N376 VanDerWaalsContact O-N 3.16Å; Q372-N376 PolarHBondContact O-ND2 3.39Å; Q372-L410 HydrophobicContact CB-CD1 4.18Å; Q372-L410 VanDerWaalsContact OE1-CD2 3.25Å
373I97.8Very high96.5Very high23 Ų2330.2 Ų30.212%0.11815%0.154CC..Hα-helixtrans-60.6-50.9175.2-69.7166000110.5V334 L341 E369 I370 V371 L375 N376 H377V334-I373 HydrophobicContact CG1-CD1 3.67Å; L341-I373 HydrophobicContact CD1-CG2 3.74Å; E369-I373 WeakPolarHBondContact O-CG1 3.35Å; E369-I373 PolarHBondContact O-N 3.38Å; I370-I373 WeakPolarHBondContact O-CB 3.32Å; I370-I373 PolarHBondContact O-N 2.95Å; I370-I373 VanDerWaalsContact O-N 3.16Å; V371-I373 PolarHBondContact O-N 3.08Å; I373-L375 PolarHBondContact O-N 2.91Å; I373-N376 PolarHBondContact O-N 3.49Å; I373-H377 PolarHBondContact O-N 3.01Å
374L97.8Very high96.4Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-62.3-45-178.9-72.6170.8000111.9L341 P348 P358 L359 A362 I370 V371 N376 H377 I380L341-L374 HydrophobicContact CD1-CD2 3.9Å; L341-L374 HydrophobicContact CD2-CD2 4.48Å; P348-L374 HydrophobicContact CB-CD2 4.13Å; P358-L374 HydrophobicContact CB-CD1 4.1Å; P358-L374 HydrophobicContact CB-CD2 4.17Å; L359-L374 HydrophobicContact CB-CD1 4.23Å; L359-L374 HydrophobicContact CD1-CB 4.12Å; L359-L374 HydrophobicContact CD1-CD1 4.04Å; A362-L374 HydrophobicContact CB-CD1 4.01Å; I370-L374 HydrophobicContact CG2-CD1 4.01Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CG 3.26Å; I370-L374 PolarHBondContact O-N 3.46Å; V371-L374 PolarHBondContact O-N 3.47Å; L374-N376 PolarHBondContact O-N 3.29Å; L374-H377 VanDerWaalsContact O-CB 3.29Å; L374-H377 WeakPolarHBondContact O-CB 3.48Å; L374-H377 PolarHBondContact O-N 3.41Å; L374-I380 HydrophobicContact CB-CD1 4.09Å; L374-I380 VanDerWaalsContact O-CB 3.3Å; L374-I380 WeakPolarHBondContact O-CB 3.16Å; L374-I380 WeakPolarHBondContact O-CG1 3.41Å
375L96.6Very high96.2Very high11 Ų1134.2 Ų34.26%0.05818%0.177CC..Hα-helixtrans-68.9-19.1180-69.3171.3000113.8L359 V371 I373 R382 L410 L411 A414L359-L375 HydrophobicContact CD1-CD2 4.49Å; L359-L375 HydrophobicContact CD1-CG 4.47Å; L359-L375 HydrophobicContact CD2-CD2 4.32Å; V371-L375 HydrophobicContact CG1-CD1 3.51Å; V371-L375 HydrophobicContact CG1-CG 4.15Å; V371-L375 WeakPolarHBondContact O-CB 3.38Å; V371-L375 WeakPolarHBondContact O-CG 3.36Å; V371-L375 PolarHBondContact O-N 2.8Å; I373-L375 PolarHBondContact O-N 2.91Å; L375-R382 HydrophobicContact CD2-CB 4.46Å; L375-L410 HydrophobicContact CD1-CB 4.4Å; L375-L411 HydrophobicContact CD1-CD2 4.2Å; L375-L411 HydrophobicContact CD2-CD2 4.42Å; L375-A414 HydrophobicContact CD1-CB 3.78Å; L375-A414 HydrophobicContact CD2-CB 3.86Å; L375-A414 HydrophobicContact CG-CB 4.29Å
376N95Very high96Very high98 Ų9834.5 Ų34.552%0.52418%0.178SC..Hα-helixtrans-89.6-7.6173.1-71.5-17000112.8Q372 I373 L374 K417Q372-N376 VanDerWaalsContact NE2-CG 3.28Å; Q372-N376 PolarHBondContact NE2-ND2 3.49Å; Q372-N376 PolarHBondContact NE2-OD1 2.96Å; Q372-N376 WeakPolarHBondContact O-CB 3.29Å; Q372-N376 PolarHBondContact O-N 3.07Å; Q372-N376 VanDerWaalsContact O-N 3.16Å; Q372-N376 PolarHBondContact O-ND2 3.39Å; I373-N376 PolarHBondContact O-N 3.49Å; L374-N376 PolarHBondContact O-N 3.29Å; N376-K417 PolarHBondContact OD1-NZ 3.36Å; N376-K417 VanDerWaalsContact OD1-NZ 3.08Å
377H95.8Very high95.7Very high40 Ų4039.7 Ų39.719%0.18520%0.202CC..SBendtrans-75.7129.8176.8-165.5-77.5000110.6P348 I373 L374 E379 I380P348-H377 HydrophobicContact CB-CB 4.4Å; P348-H377 WeakPolarHBondContact CG-ND1 3.47Å; I373-H377 PolarHBondContact O-N 3.01Å; L374-H377 VanDerWaalsContact O-CB 3.29Å; L374-H377 WeakPolarHBondContact O-CB 3.48Å; L374-H377 PolarHBondContact O-N 3.41Å; H377-E379 PolarHBondContact ND1-N 2.92Å; H377-E379 PolarHBondContact O-N 2.74Å; H377-E379 VanDerWaalsContact O-N 3.16Å; H377-I380 WeakPolarHBondContact O-CB 3.49Å; H377-I380 WeakPolarHBondContact O-CG2 3.39Å; H377-I380 PolarHBondContact O-N 2.85Å; H377-I380 VanDerWaalsContact O-N 3.13Å
378P93.2Very high95.3Very high70 Ų7045 Ų4546%0.45523%0.227SC..THydrogen-bonded Turntrans-64-27.8-172.624.2-34.9000113.5I380 E420P378-I380 VanDerWaalsContact C-N 3.33Å; P378-I380 PolarHBondContact O-N 2.91Å; P378-E420 HydrophobicContact CB-CG 4.2Å; P378-E420 WeakPolarHBondContact O-CG 3.38Å
379E95.4Very high95.1Very high55 Ų5547.1 Ų47.126%0.25725%0.249SC..THydrogen-bonded Turntrans-83.1-3.9-179.4-66.6-174.6-160.700114.6P348 N349 H377 G439 N440 R485P348-E379 HydrophobicContact CG-CB 3.87Å; N349-E379 PolarHBondContact ND2-O 2.95Å; H377-E379 PolarHBondContact ND1-N 2.92Å; H377-E379 PolarHBondContact O-N 2.74Å; H377-E379 VanDerWaalsContact O-N 3.16Å; E379-G439 WeakPolarHBondContact O-CA 3.43Å; E379-N440 HydrophobicContact CB-CB 3.91Å; E379-N440 HydrophobicContact CG-CB 4.17Å; E379-N440 PolarHBondContact O-N 2.98Å; E379-N440 PolarHBondContact OE2-ND2 3.15Å; E379-R485 IonicContact OE2-NH1 3.25Å
380I97Very high94.9Very high11 Ų1145 Ų456%0.05624%0.236CC..  trans-63.2135.3-170.5-166.570.1000113.2P348 N349 L359 L374 H377 P378 G439P348-I380 HydrophobicContact CB-CD1 3.9Å; N349-I380 WeakPolarHBondContact OD1-CD1 3.16Å; L359-I380 HydrophobicContact CD2-CD1 4.39Å; L359-I380 HydrophobicContact CD2-CG1 4.48Å; L374-I380 HydrophobicContact CB-CD1 4.09Å; L374-I380 VanDerWaalsContact O-CB 3.3Å; L374-I380 WeakPolarHBondContact O-CB 3.16Å; L374-I380 WeakPolarHBondContact O-CG1 3.41Å; H377-I380 WeakPolarHBondContact O-CB 3.49Å; H377-I380 WeakPolarHBondContact O-CG2 3.39Å; H377-I380 PolarHBondContact O-N 2.85Å; H377-I380 VanDerWaalsContact O-N 3.13Å; P378-I380 VanDerWaalsContact C-N 3.33Å; P378-I380 PolarHBondContact O-N 2.91Å; I380-G439 WeakPolarHBondContact O-CA 3.44Å
381D96.4Very high94.8Very high8 Ų846.6 Ų46.64%0.04325%0.247CC..  trans-95.898.1168.4-175.31.1000108.8N349 H383 I384 H438 N441N349-D381 HydrophobicContact CB-CB 4.49Å; N349-D381 PolarHBondContact ND2-N 3.48Å; N349-D381 WeakPolarHBondContact OD1-CB 3.19Å; N349-D381 PolarHBondContact OD1-N 2.89Å; D381-H383 PolarHBondContact O-N 3.15Å; D381-H383 PolarHBondContact OD1-N 3.02Å; D381-H383 VanDerWaalsContact OD1-N 3.1Å; D381-I384 HydrophobicContact CB-CB 4.19Å; D381-I384 WeakPolarHBondContact O-CB 3.23Å; D381-I384 VanDerWaalsContact O-CG2 3.23Å; D381-I384 WeakPolarHBondContact O-CG2 2.95Å; D381-I384 PolarHBondContact O-N 2.83Å; D381-I384 PolarHBondContact OD1-N 3.07Å; D381-H438 WeakPolarHBondContact CB-O 3.25Å; D381-H438 WeakPolarHBondContact OD1-CA 3.4Å; D381-H438 IonicContact OD1-CG 2.83Å; D381-H438 IonicContact OD1-ND1 2.93Å; D381-H438 PolarHBondContact OD1-ND1 3.35Å; D381-H438 IonicContact OD2-ND1 2.82Å; D381-N441 HydrophobicContact CB-CB 4.36Å; D381-N441 WeakPolarHBondContact OD2-CB 3.35Å; D381-N441 PolarHBondContact OD2-ND2 2.98Å
382R94Very high94.7Very high28 Ų2846.7 Ų46.711%0.10625%0.248CC..THydrogen-bonded Turntrans-75.1-13.2179.768.4179.6671578.2113.7L375 A414 M415 K417 P418L375-R382 HydrophobicContact CD2-CB 4.46Å; R382-A414 VanDerWaalsContact CZ-O 3.24Å; R382-A414 PolarHBondContact NH1-O 3.4Å; R382-M415 HydrophobicContact CB-CE 3.63Å; R382-M415 HydrophobicContact CG-CE 3.6Å; R382-M415 WeakPolarHBondContact O-CE 3.46Å; R382-K417 PolarHBondContact NH1-O 3.03Å; R382-P418 PolarHBondContact NH2-O 3.11Å
383H93.8Very high94.7Very high71 Ų7145.9 Ų45.933%0.32925%0.245SC..THydrogen-bonded Turntrans-103.515.6179.4-63.7-67.3000111.9D381 M415 Y419 K437D381-H383 PolarHBondContact O-N 3.15Å; D381-H383 PolarHBondContact OD1-N 3.02Å; D381-H383 VanDerWaalsContact OD1-N 3.1Å; H383-M415 PolarHBondContact CE1-SD 3.14Å; H383-Y419 AromaticContact NE2-CE1 3.76Å; H383-Y419 AromaticContact NE2-CZ 3.85Å; H383-Y419 PolarHBondContact NE2-OH 2.96Å; H383-K437 PolarHBondContact CD2-O 3.31Å
384I94.8Very high94.6Very high9 Ų948 Ų485%0.04626%0.257CS..  trans-63.3142.8179.1-165.2156.2000110.7N349 L351 S357 L359 D381 P392N349-I384 HydrophobicContact CB-CD1 4.08Å; L351-I384 HydrophobicContact CD2-CD1 4.02Å; S357-I384 VanDerWaalsContact CB-CD1 3.49Å; L359-I384 HydrophobicContact CD2-CG2 4.4Å; D381-I384 HydrophobicContact CB-CB 4.19Å; D381-I384 WeakPolarHBondContact O-CB 3.23Å; D381-I384 VanDerWaalsContact O-CG2 3.23Å; D381-I384 WeakPolarHBondContact O-CG2 2.95Å; D381-I384 PolarHBondContact O-N 2.83Å; D381-I384 PolarHBondContact OD1-N 3.07Å; I384-P392 HydrophobicContact CG2-CG 3.95Å; I384-P392 VanDerWaalsContact O-CD 3.26Å; I384-P392 WeakPolarHBondContact O-CD 3.36Å
385T94.3Very high94.5Very high78 Ų7848.7 Ų48.748%0.47926%0.261SS..  trans-126.6146.9176.759.80000111R390T385-R390 VanDerWaalsContact CA-O 3.25Å; T385-R390 WeakPolarHBondContact CA-O 3.26Å
386D89.8Confident94.5Very high11 Ų1148.2 Ų48.26%0.05926%0.258CS..  trans-75.4-176.7174.676.32.7000112.9L355 H360 Q388 G389 R390L355-D386 WeakPolarHBondContact O-CA 3.44Å; H360-D386 PolarHBondContact CE1-N 3.29Å; H360-D386 PolarHBondContact NE2-N 3.18Å; D386-Q388 PolarHBondContact O-N 2.89Å; D386-Q388 VanDerWaalsContact O-N 3.14Å; D386-Q388 WeakPolarHBondContact OD1-CA 3.45Å; D386-Q388 WeakPolarHBondContact OD1-CB 3.48Å; D386-Q388 PolarHBondContact OD1-N 3.02Å; D386-G389 PolarHBondContact O-N 3.19Å; D386-G389 PolarHBondContact OD1-N 2.98Å; D386-G389 VanDerWaalsContact OD1-N 3.11Å; D386-R390 PolarHBondContact N-O 3.21Å; D386-R390 WeakPolarHBondContact OD1-CB 3.31Å; D386-R390 PolarHBondContact OD1-N 3.4Å; D386-R390 IonicContact OD1-NE 3.38Å; D386-R390 IonicContact OD2-CZ 2.69Å; D386-R390 VanDerWaalsContact OD2-CZ 3.29Å; D386-R390 IonicContact OD2-NE 3.65Å; D386-R390 PolarHBondContact OD2-NE 2.83Å; D386-R390 IonicContact OD2-NH2 3.89Å; D386-R390 PolarHBondContact OD2-NH2 2.83Å
387Q90.7Very high94.5Very high110 Ų11046.8 Ų46.851%0.51425%0.249SC..THydrogen-bonded Turntrans-57.2-26.2177.6-175.8177.5-2.900113.9Q354 L355 G389Q354-Q387 WeakPolarHBondContact O-CB 3.46Å; L355-Q387 HydrophobicContact CB-CB 4.17Å; L355-Q387 HydrophobicContact CD1-CB 4.41Å; L355-Q387 HydrophobicContact CD1-CG 4.42Å; Q387-G389 VanDerWaalsContact C-N 3.34Å
388Q89.9Confident94.5Very high146 Ų14650 Ų5068%0.68226%0.264SS*.THydrogen-bonded Turntrans-93.42.6-179.8-61.6173.919.300111.9D386 R390D386-Q388 PolarHBondContact O-N 2.89Å; D386-Q388 VanDerWaalsContact O-N 3.14Å; D386-Q388 WeakPolarHBondContact OD1-CA 3.45Å; D386-Q388 WeakPolarHBondContact OD1-CB 3.48Å; D386-Q388 PolarHBondContact OD1-N 3.02Å; Q388-R390 VanDerWaalsContact C-N 3.29Å; Q388-R390 HydrophobicContact CB-CG 4.14Å
389G92.3Very high94.5Very high50 Ų5050 Ų5052%0.51526%0.26SS..SBendtrans75.815.2-176.800000113.6D386 Q387D386-G389 PolarHBondContact O-N 3.19Å; D386-G389 PolarHBondContact OD1-N 2.98Å; D386-G389 VanDerWaalsContact OD1-N 3.11Å; Q387-G389 VanDerWaalsContact C-N 3.34Å
390R94.1Very high94.5Very high65 Ų6553.6 Ų53.625%0.24528%0.275CS..  trans-82.1142.1178.2-59.4-178.7-60.2171-1.3109.8H360 T385 D386 Q388 N394 V395 E398H360-R390 PolarHBondContact NE2-O 3.21Å; T385-R390 VanDerWaalsContact CA-O 3.25Å; T385-R390 WeakPolarHBondContact CA-O 3.26Å; D386-R390 PolarHBondContact N-O 3.21Å; D386-R390 WeakPolarHBondContact OD1-CB 3.31Å; D386-R390 PolarHBondContact OD1-N 3.4Å; D386-R390 IonicContact OD1-NE 3.38Å; D386-R390 IonicContact OD2-CZ 2.69Å; D386-R390 VanDerWaalsContact OD2-CZ 3.29Å; D386-R390 IonicContact OD2-NE 3.65Å; D386-R390 PolarHBondContact OD2-NE 2.83Å; D386-R390 IonicContact OD2-NH2 3.89Å; D386-R390 PolarHBondContact OD2-NH2 2.83Å; Q388-R390 VanDerWaalsContact C-N 3.29Å; Q388-R390 HydrophobicContact CB-CG 4.14Å; R390-N394 HydrophobicContact CB-CB 4.18Å; R390-V395 HydrophobicContact CB-CG2 4.19Å; R390-E398 IonicContact CZ-OE2 3.66Å; R390-E398 IonicContact NH1-OE2 2.67Å; R390-E398 PolarHBondContact NH1-OE2 2.91Å
391S96.1Very high94.2Very high34 Ų3457.4 Ų57.424%0.23829%0.292CS..  trans-83.6162.5171.174.10000111.2L393 N394 V395S391-L393 PolarHBondContact O-N 3.09Å; S391-L393 VanDerWaalsContact O-N 3.16Å; S391-L393 PolarHBondContact OG-N 3.1Å; S391-N394 WeakPolarHBondContact CB-OD1 3.43Å; S391-N394 PolarHBondContact N-OD1 2.97Å; S391-N394 VanDerWaalsContact N-OD1 3.1Å; S391-N394 WeakPolarHBondContact O-CB 3.2Å; S391-N394 PolarHBondContact O-N 2.95Å; S391-N394 PolarHBondContact OG-N 3.31Å; S391-N394 PolarHBondContact OG-OD1 2.9Å; S391-V395 PolarHBondContact O-N 3.4Å
392P96.5Very high94.2Very high3 Ų362.5 Ų62.52%0.01932%0.319CS..Hα-helixtrans-54.3-33.2171.9-2835000113.3L359 A363 I384 V395 C396 L411L359-P392 HydrophobicContact CB-CG 4.21Å; L359-P392 HydrophobicContact CD2-CB 4.33Å; L359-P392 HydrophobicContact CD2-CG 3.83Å; L359-P392 HydrophobicContact CG-CB 3.89Å; L359-P392 HydrophobicContact CG-CG 3.74Å; A363-P392 HydrophobicContact CB-CB 3.85Å; A363-P392 WeakPolarHBondContact CB-O 3.48Å; I384-P392 HydrophobicContact CG2-CG 3.95Å; I384-P392 VanDerWaalsContact O-CD 3.26Å; I384-P392 WeakPolarHBondContact O-CD 3.36Å; P392-V395 PolarHBondContact O-N 3.14Å; P392-C396 WeakPolarHBondContact O-CB 3.41Å; P392-C396 PolarHBondContact O-N 3.47Å; P392-L411 HydrophobicContact CB-CD1 4.35Å; P392-L411 HydrophobicContact CB-CD2 4.31Å
393L96.9Very high94.2Very high42 Ų4267.1 Ų67.122%0.2234%0.342CS..Hα-helixtrans-67.1-40.9176.217963.1000111.9S391 C396 E397 A408 L411 K412S391-L393 PolarHBondContact O-N 3.09Å; S391-L393 VanDerWaalsContact O-N 3.16Å; S391-L393 PolarHBondContact OG-N 3.1Å; L393-C396 WeakPolarHBondContact O-CB 3.33Å; L393-C396 PolarHBondContact O-N 3.23Å; L393-E397 HydrophobicContact CD1-CG 4.09Å; L393-E397 WeakPolarHBondContact O-CG 3.44Å; L393-E397 PolarHBondContact O-N 3.38Å; L393-A408 HydrophobicContact CD1-CB 3.74Å; L393-L411 HydrophobicContact CB-CD1 4.25Å; L393-L411 HydrophobicContact CD1-CB 4.34Å; L393-L411 HydrophobicContact CD1-CD1 4.38Å; L393-K412 HydrophobicContact CD1-CG 4.42Å; L393-K412 HydrophobicContact CD2-CG 3.98Å
394N96.1Very high94.3Very high69 Ų6966.7 Ų66.737%0.36934%0.338SS..Hα-helixtrans-60.9-47.3176.1-65.2109.7000111R390 S391 C396 E397 E398R390-N394 HydrophobicContact CB-CB 4.18Å; S391-N394 WeakPolarHBondContact CB-OD1 3.43Å; S391-N394 PolarHBondContact N-OD1 2.97Å; S391-N394 VanDerWaalsContact N-OD1 3.1Å; S391-N394 WeakPolarHBondContact O-CB 3.2Å; S391-N394 PolarHBondContact O-N 2.95Å; S391-N394 PolarHBondContact OG-N 3.31Å; S391-N394 PolarHBondContact OG-OD1 2.9Å; N394-C396 VanDerWaalsContact C-N 3.3Å; N394-C396 PolarHBondContact O-N 3Å; N394-E397 PolarHBondContact O-N 2.9Å; N394-E398 VanDerWaalsContact O-CB 3.31Å; N394-E398 WeakPolarHBondContact O-CB 3.33Å; N394-E398 VanDerWaalsContact O-CG 3.22Å; N394-E398 WeakPolarHBondContact O-CG 3.03Å; N394-E398 PolarHBondContact O-N 3.13Å
395V95.4Very high94.4Very high13 Ų1372.8 Ų72.88%0.07937%0.366CS..Hα-helixtrans-63.3-38.4179.3-174.60000111.4R390 S391 P392 N399R390-V395 HydrophobicContact CB-CG2 4.19Å; S391-V395 PolarHBondContact O-N 3.4Å; P392-V395 PolarHBondContact O-N 3.14Å; V395-N399 WeakPolarHBondContact O-CB 3.46Å; V395-N399 PolarHBondContact O-N 3.29Å; V395-N399 VanDerWaalsContact O-N 3.08Å
396C96.3Very high94.6Very high1 Ų173 Ų731%0.00736%0.362CS..Hα-helixtrans-61-50175.4-173.40000112.5A363 P392 L393 N394 K400 W404 L411A363-C396 HydrophobicContact CB-CB 4.16Å; A363-C396 WeakPolarHBondContact O-CA 3.38Å; A363-C396 WeakPolarHBondContact O-CB 3.38Å; A363-C396 PolarHBondContact O-SG 3.03Å; P392-C396 WeakPolarHBondContact O-CB 3.41Å; P392-C396 PolarHBondContact O-N 3.47Å; L393-C396 WeakPolarHBondContact O-CB 3.33Å; L393-C396 PolarHBondContact O-N 3.23Å; N394-C396 VanDerWaalsContact C-N 3.3Å; N394-C396 PolarHBondContact O-N 3Å; C396-K400 PolarHBondContact O-N 2.94Å; C396-K400 VanDerWaalsContact O-N 3.13Å; C396-W404 PolarHBondContact SG-O 2.93Å; C396-L411 HydrophobicContact CB-CD1 4.46Å
397E95.4Very high94.9Very high69 Ų6972.5 Ų72.532%0.32236%0.359SS..Hα-helixtrans-73.7-26.7-177.5-68.7-177.116000112.9L393 N394 K400 W404 A408 K412L393-E397 HydrophobicContact CD1-CG 4.09Å; L393-E397 WeakPolarHBondContact O-CG 3.44Å; L393-E397 PolarHBondContact O-N 3.38Å; N394-E397 PolarHBondContact O-N 2.9Å; E397-K400 WeakPolarHBondContact O-CE 3.39Å; E397-K400 VanDerWaalsContact O-CG 3.23Å; E397-K400 WeakPolarHBondContact O-CG 3.39Å; E397-W404 HydrophobicContact CG-CZ3 4.32Å; E397-A408 HydrophobicContact CG-CB 4.44Å; E397-K412 WeakPolarHBondContact OE1-CE 3.47Å; E397-K412 IonicContact OE1-NZ 2.84Å; E397-K412 PolarHBondContact OE1-NZ 3.32Å
398E95.3Very high95.2Very high107 Ų10767.4 Ų67.450%0.534%0.336SS..Hα-helixtrans-71.2-48.5173.6-78.1170.5-164.400111.9R390 N394R390-E398 IonicContact CZ-OE2 3.66Å; R390-E398 IonicContact NH1-OE2 2.67Å; R390-E398 PolarHBondContact NH1-OE2 2.91Å; N394-E398 VanDerWaalsContact O-CB 3.31Å; N394-E398 WeakPolarHBondContact O-CB 3.33Å; N394-E398 VanDerWaalsContact O-CG 3.22Å; N394-E398 WeakPolarHBondContact O-CG 3.03Å; N394-E398 PolarHBondContact O-N 3.13Å
399N93.9Very high95.5Very high69 Ų6965 Ų6537%0.36932%0.323SS..Hα-helixtrans-80.4-35.3-172.2-72.1-3.5000113.6G364 V395 Q401G364-N399 WeakPolarHBondContact O-CB 3.36Å; G364-N399 PolarHBondContact O-ND2 3.12Å; G364-N399 VanDerWaalsContact O-ND2 3.1Å; V395-N399 WeakPolarHBondContact O-CB 3.46Å; V395-N399 PolarHBondContact O-N 3.29Å; V395-N399 VanDerWaalsContact O-N 3.08Å; N399-Q401 VanDerWaalsContact C-N 3.34Å; N399-Q401 HydrophobicContact CB-CG 4.19Å; N399-Q401 PolarHBondContact O-N 3.33Å
400K95.2Very high95.8Very high131 Ų13163.6 Ų63.657%0.5730%0.304SS*.  trans50.246.5-179.8-55.4-175.3-179179.90114.5C396 E397 W404C396-K400 PolarHBondContact O-N 2.94Å; C396-K400 VanDerWaalsContact O-N 3.13Å; E397-K400 WeakPolarHBondContact O-CE 3.39Å; E397-K400 VanDerWaalsContact O-CG 3.23Å; E397-K400 WeakPolarHBondContact O-CG 3.39Å; K400-W404 HydrophobicContact CB-CD2 4.13Å; K400-W404 HydrophobicContact CB-CG 4.15Å; K400-W404 HydrophobicContact CD-CZ2 4.21Å; K400-W404 HydrophobicContact CG-CD2 4.08Å; K400-W404 HydrophobicContact CG-CE3 4.36Å; K400-W404 HydrophobicContact CG-CZ2 4.28Å
401Q91.9Very high95.8Very high91 Ų9161 Ų6143%0.42529%0.294SS..  trans-96.5151.1179.6-65.6179.7400111.5G366 N399 E403 W404G366-Q401 WeakPolarHBondContact CA-O 3.24Å; N399-Q401 VanDerWaalsContact C-N 3.34Å; N399-Q401 HydrophobicContact CB-CG 4.19Å; N399-Q401 PolarHBondContact O-N 3.33Å; Q401-E403 PolarHBondContact O-N 3.28Å; Q401-W404 VanDerWaalsContact O-CB 3.31Å; Q401-W404 WeakPolarHBondContact O-CB 3.14Å; Q401-W404 PolarHBondContact O-N 3.4Å
402N94.7Very high95.8Very high115 Ų11564.3 Ų64.362%0.61531%0.305SS*.THydrogen-bonded Turntrans45.4-128174.4-56.4-41.4000113.4G365 H367 W404G365-N402 WeakPolarHBondContact O-CB 3.46Å; G365-N402 PolarHBondContact O-ND2 2.82Å; H367-N402 PolarHBondContact CE1-ND2 3.49Å; N402-W404 PolarHBondContact O-N 3.47Å
403E95.3Very high95.7Very high125 Ų12568.9 Ų68.958%0.58433%0.326SS*.THydrogen-bonded Turntrans-89.145.1-177.3-55.6177.3144.300111.6G366 A368 Q401 E405 E406 T407G366-E403 CarbonylContact O-C 3.46Å; G366-E403 WeakPolarHBondContact O-CA 3.22Å; G366-E403 WeakPolarHBondContact O-CB 3.41Å; G366-E403 PolarHBondContact O-N 3.24Å; A368-E403 HydrophobicContact CB-CB 4.25Å; Q401-E403 PolarHBondContact O-N 3.28Å; E403-E405 VanDerWaalsContact C-N 3.28Å; E403-E405 PolarHBondContact O-N 3.06Å; E403-E406 PolarHBondContact O-N 3.42Å; E403-T407 WeakPolarHBondContact O-CB 3.27Å; E403-T407 PolarHBondContact O-N 3.02Å; E403-T407 PolarHBondContact O-OG1 3.25Å
404W95.9Very high95.4Very high62 Ų6267 Ų6724%0.23532%0.316CS..Hα-helixtrans-61.5-31.4-175.273.7-82.6000113.6C396 E397 K400 Q401 N402 T407 A408C396-W404 PolarHBondContact SG-O 2.93Å; E397-W404 HydrophobicContact CG-CZ3 4.32Å; K400-W404 HydrophobicContact CB-CD2 4.13Å; K400-W404 HydrophobicContact CB-CG 4.15Å; K400-W404 HydrophobicContact CD-CZ2 4.21Å; K400-W404 HydrophobicContact CG-CD2 4.08Å; K400-W404 HydrophobicContact CG-CE3 4.36Å; K400-W404 HydrophobicContact CG-CZ2 4.28Å; Q401-W404 VanDerWaalsContact O-CB 3.31Å; Q401-W404 WeakPolarHBondContact O-CB 3.14Å; Q401-W404 PolarHBondContact O-N 3.4Å; N402-W404 PolarHBondContact O-N 3.47Å; W404-T407 PolarHBondContact O-N 3Å; W404-A408 VanDerWaalsContact O-CB 3.25Å; W404-A408 WeakPolarHBondContact O-CB 3.47Å; W404-A408 PolarHBondContact O-N 2.87Å
405E97.1Very high95.1Very high137 Ų13767 Ų6764%0.6432%0.315SS*.Hα-helixtrans-66.3-47.2179.3-66.5-174.2172.400111.6E403 T407 A408 K409E403-E405 VanDerWaalsContact C-N 3.28Å; E403-E405 PolarHBondContact O-N 3.06Å; E405-T407 VanDerWaalsContact C-N 3.34Å; E405-A408 PolarHBondContact O-N 3.07Å; E405-K409 WeakPolarHBondContact O-CB 3.36Å; E405-K409 PolarHBondContact O-N 3.14Å
406E96.9Very high94.8Very high83 Ų8373.3 Ų73.339%0.38835%0.348SS..Hα-helixtrans-66.6-40.2175.6-173.460.5-162.500110.4A368 E403 A408 K409 L410A368-E406 HydrophobicContact CB-CB 4.33Å; A368-E406 HydrophobicContact CB-CG 4.17Å; E403-E406 PolarHBondContact O-N 3.42Å; E406-A408 PolarHBondContact O-N 3.39Å; E406-K409 WeakPolarHBondContact O-CB 3.46Å; E406-K409 PolarHBondContact O-N 2.92Å; E406-K409 IonicContact OE1-NZ 3.65Å; E406-K409 IonicContact OE2-NZ 3.75Å; E406-L410 WeakPolarHBondContact O-CG 3.29Å; E406-L410 PolarHBondContact O-N 2.89Å
407T96.7Very high94.5Very high0 Ų077 Ų770%036%0.364CS..Hα-helixtrans-59.4-46.3175.3-58.50000112.2A363 G366 A368 V371 E403 W404 E405 K409 L410 L411A363-T407 HydrophobicContact CB-CG2 4.27Å; G366-T407 PolarHBondContact O-OG1 3.06Å; A368-T407 WeakPolarHBondContact CA-OG1 3.43Å; A368-T407 PolarHBondContact N-OG1 2.92Å; V371-T407 HydrophobicContact CB-CG2 4.19Å; V371-T407 HydrophobicContact CG1-CG2 4.25Å; V371-T407 HydrophobicContact CG2-CG2 3.69Å; E403-T407 WeakPolarHBondContact O-CB 3.27Å; E403-T407 PolarHBondContact O-N 3.02Å; E403-T407 PolarHBondContact O-OG1 3.25Å; W404-T407 PolarHBondContact O-N 3Å; E405-T407 VanDerWaalsContact C-N 3.34Å; T407-K409 VanDerWaalsContact C-N 3.31Å; T407-K409 PolarHBondContact O-N 3.46Å; T407-L410 PolarHBondContact O-N 3.3Å; T407-L411 HydrophobicContact CG2-CD1 4.22Å; T407-L411 WeakPolarHBondContact O-CG 3.42Å; T407-L411 PolarHBondContact O-N 3.28Å
408A97Very high94.4Very high4 Ų479.2 Ų79.23%0.03339%0.385CS..Hα-helixtrans-63.9-38.1177.400000111.6L393 E397 W404 E405 E406 L411 K412L393-A408 HydrophobicContact CD1-CB 3.74Å; E397-A408 HydrophobicContact CG-CB 4.44Å; W404-A408 VanDerWaalsContact O-CB 3.25Å; W404-A408 WeakPolarHBondContact O-CB 3.47Å; W404-A408 PolarHBondContact O-N 2.87Å; E405-A408 PolarHBondContact O-N 3.07Å; E406-A408 PolarHBondContact O-N 3.39Å; A408-L411 PolarHBondContact O-N 2.82Å; A408-K412 WeakPolarHBondContact O-CB 3.37Å; A408-K412 VanDerWaalsContact O-CG 3.29Å; A408-K412 WeakPolarHBondContact O-CG 3.48Å; A408-K412 PolarHBondContact O-N 2.94Å
409K97.1Very high94.3Very high96 Ų9677.4 Ų77.442%0.41737%0.373SS..Hα-helixtrans-62.7-48.4174179.9-175162.9-152.70111.4E405 E406 T407 L411 K412 E413E405-K409 WeakPolarHBondContact O-CB 3.36Å; E405-K409 PolarHBondContact O-N 3.14Å; E406-K409 WeakPolarHBondContact O-CB 3.46Å; E406-K409 PolarHBondContact O-N 2.92Å; E406-K409 IonicContact OE1-NZ 3.65Å; E406-K409 IonicContact OE2-NZ 3.75Å; T407-K409 VanDerWaalsContact C-N 3.31Å; T407-K409 PolarHBondContact O-N 3.46Å; K409-L411 VanDerWaalsContact C-N 3.32Å; K409-L411 PolarHBondContact O-N 3.44Å; K409-K412 PolarHBondContact O-N 3.32Å; K409-E413 WeakPolarHBondContact CE-OE1 3.49Å; K409-E413 HydrophobicContact CG-CG 4.43Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 WeakPolarHBondContact O-CB 3.42Å; K409-E413 WeakPolarHBondContact O-CG 3.24Å; K409-E413 PolarHBondContact O-N 3.19Å
410L96.9Very high94.3Very high19 Ų1979 Ų7910%0.09938%0.379CS..Hα-helixtrans-57.2-43.3176.5-71.5177.3000112.3A368 V371 Q372 L375 E406 T407 E413 A414A368-L410 HydrophobicContact CB-CD1 4.17Å; A368-L410 WeakPolarHBondContact O-CD1 3.18Å; V371-L410 HydrophobicContact CG1-CB 4.41Å; Q372-L410 HydrophobicContact CB-CD1 4.18Å; Q372-L410 VanDerWaalsContact OE1-CD2 3.25Å; L375-L410 HydrophobicContact CD1-CB 4.4Å; E406-L410 WeakPolarHBondContact O-CG 3.29Å; E406-L410 PolarHBondContact O-N 2.89Å; T407-L410 PolarHBondContact O-N 3.3Å; L410-E413 PolarHBondContact O-N 3.37Å; L410-A414 VanDerWaalsContact O-CB 3.22Å; L410-A414 WeakPolarHBondContact O-CB 3.35Å; L410-A414 PolarHBondContact O-N 3.43Å
411L95.6Very high94.3Very high10 Ų1078.5 Ų78.55%0.05238%0.377CS..Hα-helixtrans-64.6-42177.6-71.1167.4000112.1L359 A363 V371 L375 P392 L393 C396 T407 A408 K409 A414 M415L359-L411 HydrophobicContact CD1-CD2 4.17Å; L359-L411 HydrophobicContact CD2-CD2 4.43Å; L359-L411 HydrophobicContact CG-CD2 4.44Å; A363-L411 HydrophobicContact CB-CD1 3.87Å; V371-L411 HydrophobicContact CG1-CD2 3.98Å; V371-L411 HydrophobicContact CG1-CG 4.08Å; L375-L411 HydrophobicContact CD1-CD2 4.2Å; L375-L411 HydrophobicContact CD2-CD2 4.42Å; P392-L411 HydrophobicContact CB-CD1 4.35Å; P392-L411 HydrophobicContact CB-CD2 4.31Å; L393-L411 HydrophobicContact CB-CD1 4.25Å; L393-L411 HydrophobicContact CD1-CB 4.34Å; L393-L411 HydrophobicContact CD1-CD1 4.38Å; C396-L411 HydrophobicContact CB-CD1 4.46Å; T407-L411 HydrophobicContact CG2-CD1 4.22Å; T407-L411 WeakPolarHBondContact O-CG 3.42Å; T407-L411 PolarHBondContact O-N 3.28Å; A408-L411 PolarHBondContact O-N 2.82Å; K409-L411 VanDerWaalsContact C-N 3.32Å; K409-L411 PolarHBondContact O-N 3.44Å; L411-A414 PolarHBondContact O-N 2.79Å; L411-M415 PolarHBondContact O-N 2.97Å
412K95.3Very high94.5Very high105 Ų10574.6 Ų74.646%0.45736%0.36SS..Hα-helixtrans-65.3-45.8176.4-74.1168.7-177164.20111.5L393 E397 A408 K409 A414 M415L393-K412 HydrophobicContact CD1-CG 4.42Å; L393-K412 HydrophobicContact CD2-CG 3.98Å; E397-K412 WeakPolarHBondContact OE1-CE 3.47Å; E397-K412 IonicContact OE1-NZ 2.84Å; E397-K412 PolarHBondContact OE1-NZ 3.32Å; A408-K412 WeakPolarHBondContact O-CB 3.37Å; A408-K412 VanDerWaalsContact O-CG 3.29Å; A408-K412 WeakPolarHBondContact O-CG 3.48Å; A408-K412 PolarHBondContact O-N 2.94Å; K409-K412 PolarHBondContact O-N 3.32Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 2.93Å; K412-M415 WeakPolarHBondContact O-CB 3.43Å; K412-M415 PolarHBondContact O-N 2.98Å
413E94.1Very high94.7Very high99 Ų9975.6 Ų75.646%0.46336%0.355SS..Hα-helixtrans-65.2-36.8178-72178.9-174.700112.1K409 L410 M415 N416K409-E413 WeakPolarHBondContact CE-OE1 3.49Å; K409-E413 HydrophobicContact CG-CG 4.43Å; K409-E413 WeakPolarHBondContact CG-OE1 3.49Å; K409-E413 WeakPolarHBondContact O-CB 3.42Å; K409-E413 WeakPolarHBondContact O-CG 3.24Å; K409-E413 PolarHBondContact O-N 3.19Å; L410-E413 PolarHBondContact O-N 3.37Å; E413-M415 PolarHBondContact O-N 3.44Å; E413-N416 PolarHBondContact O-N 2.84Å
414A92.3Very high94.8Very high2 Ų269.7 Ų69.72%0.01733%0.328CS..Hα-helixtrans-64.3-22.817800000113.6L375 R382 L410 L411 K412 N416 K417L375-A414 HydrophobicContact CD1-CB 3.78Å; L375-A414 HydrophobicContact CD2-CB 3.86Å; L375-A414 HydrophobicContact CG-CB 4.29Å; R382-A414 VanDerWaalsContact CZ-O 3.24Å; R382-A414 PolarHBondContact NH1-O 3.4Å; L410-A414 VanDerWaalsContact O-CB 3.22Å; L410-A414 WeakPolarHBondContact O-CB 3.35Å; L410-A414 PolarHBondContact O-N 3.43Å; L411-A414 PolarHBondContact O-N 2.79Å; K412-A414 VanDerWaalsContact C-N 3.33Å; K412-A414 PolarHBondContact O-N 2.93Å; A414-N416 PolarHBondContact O-N 2.98Å; A414-K417 PolarHBondContact O-N 3.3Å
415M89Confident94.9Very high70 Ų7068.5 Ų68.535%0.34532%0.324SS..THydrogen-bonded Turntrans-61.9-27.3172.9-68-61.911100112.8R382 H383 L411 K412 E413R382-M415 HydrophobicContact CB-CE 3.63Å; R382-M415 HydrophobicContact CG-CE 3.6Å; R382-M415 WeakPolarHBondContact O-CE 3.46Å; H383-M415 PolarHBondContact CE1-SD 3.14Å; L411-M415 PolarHBondContact O-N 2.97Å; K412-M415 WeakPolarHBondContact O-CB 3.43Å; K412-M415 PolarHBondContact O-N 2.98Å; E413-M415 PolarHBondContact O-N 3.44Å
416N89.4Confident95Very high144 Ų14464 Ų6477%0.7730%0.301SS*.THydrogen-bonded Turntrans-87.3-11.2-179.5-62-37.9000113.5E413 A414E413-N416 PolarHBondContact O-N 2.84Å; A414-N416 PolarHBondContact O-N 2.98Å
417K90.1Very high94.9Very high79 Ų7961.4 Ų61.434%0.34329%0.289SS..SBendtrans-65.7144.7177.7-72.3-176.5177.2-177.30110.3N376 R382 A414N376-K417 PolarHBondContact OD1-NZ 3.36Å; N376-K417 VanDerWaalsContact OD1-NZ 3.08Å; R382-K417 PolarHBondContact NH1-O 3.03Å; A414-K417 PolarHBondContact O-N 3.3Å
418P92.2Very high94.7Very high116 Ų11664.9 Ų64.975%0.75331%0.307SS*.PPolyproline II helixtrans-59.2151.5172.826.2-33.8000111.2R382R382-P418 PolarHBondContact NH2-O 3.11Å
419Y92.9Very high94.6Very high68 Ų6867.1 Ų67.127%0.26733%0.331SS..PPolyproline II helixtrans-77.5147.2173.2-63.1-71.2000110.8H383H383-Y419 AromaticContact NE2-CE1 3.76Å; H383-Y419 AromaticContact NE2-CZ 3.85Å; H383-Y419 PolarHBondContact NE2-OH 2.96Å
420E94.3Very high94.6Very high104 Ų10464.7 Ų64.749%0.48633%0.326SS..PPolyproline II helixtrans-64.4155.8169.3-74.3-65.3172.100111.4P378 E435 L436P378-E420 HydrophobicContact CB-CG 4.2Å; P378-E420 WeakPolarHBondContact O-CG 3.38Å; E420-E435 WeakPolarHBondContact O-CA 3.47Å; E420-L436 HydrophobicContact CB-CD1 4.22Å; E420-L436 WeakPolarHBondContact O-CB 3.36Å; E420-L436 PolarHBondContact O-N 2.98Å
421K95.9Very high94.6Very high119 Ų11969.3 Ų69.352%0.51734%0.343SS..EExtended strand (participates in β ladder)trans-124.6131.1-173.8-63.9-179.7-178.3-1790111.8V434 E435K421-V434 CarbonylContact C-O 3.55Å; K421-V434 VanDerWaalsContact CA-O 3.22Å; K421-V434 WeakPolarHBondContact CA-O 3.49Å; K421-E435 HydrophobicContact CD-CG 4.34Å; K421-E435 WeakPolarHBondContact CE-OE1 3.43Å; K421-E435 HydrophobicContact CG-CG 4Å; K421-E435 IonicContact NZ-OE1 3.19Å
422A96.1Very high94.7Very high10 Ų1074.5 Ų74.58%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-97.4141.5169.500000110.9I424 S433 V434 L436A422-I424 HydrophobicContact CB-CD1 4.47Å; A422-S433 CarbonylContact O-C 3.35Å; A422-S433 WeakPolarHBondContact O-CA 3.47Å; A422-V434 PolarHBondContact N-O 3.5Å; A422-V434 PolarHBondContact O-N 2.65Å; A422-L436 HydrophobicContact CB-CD1 4.11Å; A422-L436 HydrophobicContact CB-CD2 3.87Å; A422-L436 HydrophobicContact CB-CG 4.2Å
423R98.1Very high94.7Very high136 Ų13672.5 Ų72.551%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-86.1122.4171.9-64.1-179.5-174.9165.1-0.4109.6Y425 Y431R423-Y425 HydrophobicContact CB-CD2 4.28Å; R423-Y425 HydrophobicContact CB-CE2 3.63Å; R423-Y425 WeakPolarHBondContact CD-OH 3.46Å; R423-Y431 HydrophobicContact CB-CD2 3.98Å; R423-Y431 HydrophobicContact CB-CG 4.29Å; R423-Y431 HydrophobicContact CG-CD2 3.76Å; R423-Y431 HydrophobicContact CG-CE2 3.89Å; R423-Y431 HydrophobicContact CG-CG 4.41Å
424I98.4Very high94.9Very high1 Ų167.9 Ų67.91%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-106.6108.7174-49.8-55.2000108.1A422 Y431 R432 V434 I447 M451 I463 L506 L508A422-I424 HydrophobicContact CB-CD1 4.47Å; I424-Y431 CarbonylContact O-C 3.13Å; I424-Y431 WeakPolarHBondContact O-CA 3.44Å; I424-Y431 WeakPolarHBondContact O-CB 3.21Å; I424-R432 PolarHBondContact N-O 3.16Å; I424-R432 PolarHBondContact O-N 3.41Å; I424-V434 HydrophobicContact CG1-CB 4.32Å; I424-V434 HydrophobicContact CG1-CG2 3.74Å; I424-I447 HydrophobicContact CD1-CG2 3.78Å; I424-I447 HydrophobicContact CG1-CG2 3.94Å; I424-M451 HydrophobicContact CB-CE 4.15Å; I424-M451 HydrophobicContact CB-SD 3.81Å; I424-M451 HydrophobicContact CG1-SD 3.9Å; I424-M451 HydrophobicContact CG2-CE 3.86Å; I424-M451 HydrophobicContact CG2-SD 3.95Å; I424-I463 HydrophobicContact CG2-CD1 3.69Å; I424-L506 HydrophobicContact CD1-CB 3.74Å; I424-L506 HydrophobicContact CD1-CD1 3.75Å; I424-L506 HydrophobicContact CD1-CG 4.4Å; I424-L508 HydrophobicContact CG2-CB 4.02Å
425Y98.4Very high95.1Very high37 Ų3772.3 Ų72.315%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-83.4159.4-175.3-69.5-93.4000112.3R423 S430 Y431 Q505 L506 F507 L508R423-Y425 HydrophobicContact CB-CD2 4.28Å; R423-Y425 HydrophobicContact CB-CE2 3.63Å; R423-Y425 WeakPolarHBondContact CD-OH 3.46Å; Y425-S430 CarbonylContact C-O 3.47Å; Y425-S430 VanDerWaalsContact CA-O 3.31Å; Y425-S430 WeakPolarHBondContact CA-O 3.38Å; Y425-Y431 HydrophobicContact CD1-CD1 4.19Å; Y425-Y431 HydrophobicContact CD1-CG 4.34Å; Y425-Y431 AromaticContact CE1-CD1 3.67Å; Y425-Y431 HydrophobicContact CE1-CD1 3.67Å; Y425-Y431 HydrophobicContact CE1-CG 4.08Å; Y425-Q505 HydrophobicContact CD2-CB 4.17Å; Y425-Q505 HydrophobicContact CE2-CB 4.38Å; Y425-Q505 HydrophobicContact CE2-CG 4.43Å; Y425-L506 PolarHBondContact N-O 3.46Å; Y425-F507 VanDerWaalsContact CB-CE1 3.45Å; Y425-F507 HydrophobicContact CG-CE1 4.37Å; Y425-F507 CarbonylContact O-C 3.54Å; Y425-F507 WeakPolarHBondContact O-CA 3.24Å; Y425-L508 PolarHBondContact O-N 3.42Å
426R97.6Very high95.4Very high43 Ų4369.5 Ų69.516%0.16235%0.346CS..  trans-116.7166.3166.2-73.2171.658.9-1680.4109.2D428 G429 S430 D533R426-D428 WeakPolarHBondContact CB-OD1 3.19Å; R426-D428 PolarHBondContact O-N 3.01Å; R426-G429 PolarHBondContact O-N 3.24Å; R426-S430 PolarHBondContact N-O 3Å; R426-D533 IonicContact CZ-OD2 3.29Å; R426-D533 IonicContact NH2-OD2 2.81Å; R426-D533 PolarHBondContact NH2-OD2 3.32Å
427M95.3Very high95.5Very high28 Ų2868.3 Ų68.314%0.13833%0.334CS..THydrogen-bonded Turntrans-69.4-12.8-175.3-57.5-49.7-62.300114.3G429 F507 R509 E534 Y537M427-G429 VanDerWaalsContact C-N 3.28Å; M427-F507 HydrophobicContact SD-CD1 3.86Å; M427-F507 HydrophobicContact SD-CE1 4.31Å; M427-R509 HydrophobicContact SD-CG 4.05Å; M427-E534 HydrophobicContact CB-CB 4.43Å; M427-E534 HydrophobicContact CG-CB 3.93Å; M427-E534 HydrophobicContact CG-CG 4.02Å; M427-Y537 HydrophobicContact CB-CD2 4.4Å; M427-Y537 HydrophobicContact CB-CG 4.09Å; M427-Y537 HydrophobicContact CE-CD1 3.37Å; M427-Y537 HydrophobicContact CE-CD2 3.84Å; M427-Y537 HydrophobicContact CE-CE1 3.29Å; M427-Y537 HydrophobicContact CE-CE2 3.77Å; M427-Y537 HydrophobicContact CE-CG 3.65Å
428D93.5Very high95.8Very high72 Ų7266.9 Ų66.939%0.38533%0.329SS..THydrogen-bonded Turntrans-82.2-3.4171.169.6-21.6000113.2R426 S430 D533R426-D428 WeakPolarHBondContact CB-OD1 3.19Å; R426-D428 PolarHBondContact O-N 3.01Å; D428-S430 VanDerWaalsContact C-N 3.33Å; D428-S430 VanDerWaalsContact CG-OG 3.29Å; D428-S430 WeakPolarHBondContact OD1-CB 3.33Å; D428-S430 PolarHBondContact OD1-N 3.32Å; D428-S430 PolarHBondContact OD1-OG 3.01Å; D428-S430 PolarHBondContact OD2-OG 3.5Å; D428-D533 HydrophobicContact CB-CB 4.26Å
429G94.5Very high95.9Very high52 Ų5261.5 Ų61.554%0.53629%0.294SS..SBendtrans88.6-7-177.600000114.3R426 M427R426-G429 PolarHBondContact O-N 3.24Å; M427-G429 VanDerWaalsContact C-N 3.28Å
430S96.7Very high96.1Very high44 Ų4458.2 Ų58.231%0.30828%0.282SS..  trans-68.5158.117271.90000110.8Y425 R426 D428Y425-S430 CarbonylContact C-O 3.47Å; Y425-S430 VanDerWaalsContact CA-O 3.31Å; Y425-S430 WeakPolarHBondContact CA-O 3.38Å; R426-S430 PolarHBondContact N-O 3Å; D428-S430 VanDerWaalsContact C-N 3.33Å; D428-S430 VanDerWaalsContact CG-OG 3.29Å; D428-S430 WeakPolarHBondContact OD1-CB 3.33Å; D428-S430 PolarHBondContact OD1-N 3.32Å; D428-S430 PolarHBondContact OD1-OG 3.01Å; D428-S430 PolarHBondContact OD2-OG 3.5Å
431Y97.6Very high96.2Very high117 Ų11754 Ų5446%0.45926%0.262SS..EExtended strand (participates in β ladder)trans-144.1158.1174.666.3-94.1000112.4R423 I424 Y425R423-Y431 HydrophobicContact CB-CD2 3.98Å; R423-Y431 HydrophobicContact CB-CG 4.29Å; R423-Y431 HydrophobicContact CG-CD2 3.76Å; R423-Y431 HydrophobicContact CG-CE2 3.89Å; R423-Y431 HydrophobicContact CG-CG 4.41Å; I424-Y431 CarbonylContact O-C 3.13Å; I424-Y431 WeakPolarHBondContact O-CA 3.44Å; I424-Y431 WeakPolarHBondContact O-CB 3.21Å; Y425-Y431 HydrophobicContact CD1-CD1 4.19Å; Y425-Y431 HydrophobicContact CD1-CG 4.34Å; Y425-Y431 AromaticContact CE1-CD1 3.67Å; Y425-Y431 HydrophobicContact CE1-CD1 3.67Å; Y425-Y431 HydrophobicContact CE1-CG 4.08Å
432R96.3Very high96.2Very high118 Ų11848.4 Ų48.445%0.44524%0.238SC..EExtended strand (participates in β ladder)trans-115.7134.1167.8-177.7177.2-66.4-81.82.8109.3I424 V434 M451I424-R432 PolarHBondContact N-O 3.16Å; I424-R432 PolarHBondContact O-N 3.41Å; R432-V434 HydrophobicContact CG-CG2 4.45Å; R432-M451 HydrophobicContact CB-CE 4.27Å; R432-M451 HydrophobicContact CB-SD 4.2Å; R432-M451 VanDerWaalsContact CD-O 3.28Å; R432-M451 WeakPolarHBondContact CD-O 3.5Å; R432-M451 HydrophobicContact CG-SD 4.34Å; R432-M451 PolarHBondContact NE-O 3Å
433S97.1Very high96.3Very high64 Ų6449.3 Ų49.345%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-82.1125.8170.2-60.60000109.8A422A422-S433 CarbonylContact O-C 3.35Å; A422-S433 WeakPolarHBondContact O-CA 3.47Å
434V97.4Very high96.2Very high1 Ų142.9 Ų42.91%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-117.5134.4-179.9-179.70000109.7K421 A422 I424 R432 I447 M451K421-V434 CarbonylContact C-O 3.55Å; K421-V434 VanDerWaalsContact CA-O 3.22Å; K421-V434 WeakPolarHBondContact CA-O 3.49Å; A422-V434 PolarHBondContact N-O 3.5Å; A422-V434 PolarHBondContact O-N 2.65Å; I424-V434 HydrophobicContact CG1-CB 4.32Å; I424-V434 HydrophobicContact CG1-CG2 3.74Å; R432-V434 HydrophobicContact CG-CG2 4.45Å; V434-I447 HydrophobicContact CG1-CG2 4.29Å; V434-M451 HydrophobicContact CG2-CG 4.11Å; V434-M451 HydrophobicContact CG2-SD 3.36Å; V434-M451 WeakPolarHBondContact CG2-SD 3.41Å
435E95.9Very high96.1Very high96 Ų9647.9 Ų47.945%0.44924%0.242SC..EExtended strand (participates in β ladder)trans-73.5135.3178.8-72.3173.7-174.600112E420 K421E420-E435 WeakPolarHBondContact O-CA 3.47Å; K421-E435 HydrophobicContact CD-CG 4.34Å; K421-E435 WeakPolarHBondContact CE-OE1 3.43Å; K421-E435 HydrophobicContact CG-CG 4Å; K421-E435 IonicContact NZ-OE1 3.19Å
436L96.1Very high96Very high11 Ų1148.9 Ų48.96%0.05825%0.248CC..  trans-100.185.9-177-60.1171.4000109.4E420 A422 H438 G439 T442 I447 L481E420-L436 HydrophobicContact CB-CD1 4.22Å; E420-L436 WeakPolarHBondContact O-CB 3.36Å; E420-L436 PolarHBondContact O-N 2.98Å; A422-L436 HydrophobicContact CB-CD1 4.11Å; A422-L436 HydrophobicContact CB-CD2 3.87Å; A422-L436 HydrophobicContact CB-CG 4.2Å; L436-H438 PolarHBondContact O-N 3.1Å; L436-G439 PolarHBondContact O-N 3.05Å; L436-T442 HydrophobicContact CD2-CG2 4.17Å; L436-I447 HydrophobicContact CD2-CG1 4.48Å; L436-L481 HydrophobicContact CD1-CD1 3.42Å; L436-L481 VanDerWaalsContact CD1-CD1 3.42Å; L436-L481 HydrophobicContact CD2-CD1 3.61Å; L436-L481 HydrophobicContact CG-CD1 4.08Å
437K92.1Very high95.9Very high118 Ų11846.9 Ų46.951%0.51324%0.24SC..THydrogen-bonded Turntrans-56.3-36.6-178.4-68.2-175.8179.81780112.6H383H383-K437 PolarHBondContact CD2-O 3.31Å
438H95.3Very high96Very high49 Ų4945.9 Ų45.923%0.22724%0.236CC..THydrogen-bonded Turntrans-11330-177.4-63.5-79.6000112.1D381 L436 N440 N441 T442 Q446D381-H438 WeakPolarHBondContact CB-O 3.25Å; D381-H438 WeakPolarHBondContact OD1-CA 3.4Å; D381-H438 IonicContact OD1-CG 2.83Å; D381-H438 IonicContact OD1-ND1 2.93Å; D381-H438 PolarHBondContact OD1-ND1 3.35Å; D381-H438 IonicContact OD2-ND1 2.82Å; L436-H438 PolarHBondContact O-N 3.1Å; H438-N440 PolarHBondContact O-N 3.48Å; H438-N441 HydrophobicContact CB-CB 4.04Å; H438-N441 WeakPolarHBondContact O-CA 3.43Å; H438-N441 VanDerWaalsContact O-CB 3.28Å; H438-N441 WeakPolarHBondContact O-CB 3.34Å; H438-N441 PolarHBondContact O-N 3.17Å; H438-T442 PolarHBondContact N-OG1 3.36Å; H438-T442 VanDerWaalsContact N-OG1 3.14Å; H438-T442 PolarHBondContact O-N 3.08Å; H438-Q446 PolarHBondContact CD2-NE2 2.85Å; H438-Q446 PolarHBondContact NE2-NE2 3.43Å
439G95.5Very high96.1Very high3 Ų347.7 Ų47.73%0.03124%0.241CC..G310 helixtrans51.9-131-177.600000112.1E379 I380 L436 N441 T442 L481E379-G439 WeakPolarHBondContact O-CA 3.43Å; I380-G439 WeakPolarHBondContact O-CA 3.44Å; L436-G439 PolarHBondContact O-N 3.05Å; G439-N441 PolarHBondContact O-N 3.07Å; G439-T442 PolarHBondContact N-OG1 3.32Å; G439-T442 WeakPolarHBondContact O-CB 3.08Å; G439-T442 PolarHBondContact O-N 2.92Å; G439-T442 PolarHBondContact O-OG1 2.91Å; G439-L481 WeakPolarHBondContact O-CD1 3.27Å
440N95.7Very high96.1Very high0 Ų046.8 Ų46.80%023%0.232CC..G310 helixtrans-72.6-9.8176.176.614.6000114.9N347 N349 E379 H438 T442 L481 Q482 R485N347-N440 PolarHBondContact OD1-ND2 3.03Å; N347-N440 PolarHBondContact OD1-OD1 3.37Å; N349-N440 PolarHBondContact ND2-OD1 3.25Å; E379-N440 HydrophobicContact CB-CB 3.91Å; E379-N440 HydrophobicContact CG-CB 4.17Å; E379-N440 PolarHBondContact O-N 2.98Å; E379-N440 PolarHBondContact OE2-ND2 3.15Å; H438-N440 PolarHBondContact O-N 3.48Å; N440-T442 VanDerWaalsContact C-N 3.28Å; N440-L481 HydrophobicContact CB-CB 3.79Å; N440-L481 HydrophobicContact CB-CD1 4.47Å; N440-Q482 HydrophobicContact CB-CG 4.47Å; N440-R485 PolarHBondContact ND2-NH1 3.03Å
441N95.9Very high95.9Very high15 Ų1545 Ų458%0.0822%0.219CC..G310 helixtrans-81-8.1171.5-78.7-31.2000113.1D381 H438 G439 T443 K479 Q482D381-N441 HydrophobicContact CB-CB 4.36Å; D381-N441 WeakPolarHBondContact OD2-CB 3.35Å; D381-N441 PolarHBondContact OD2-ND2 2.98Å; H438-N441 HydrophobicContact CB-CB 4.04Å; H438-N441 WeakPolarHBondContact O-CA 3.43Å; H438-N441 VanDerWaalsContact O-CB 3.28Å; H438-N441 WeakPolarHBondContact O-CB 3.34Å; H438-N441 PolarHBondContact O-N 3.17Å; G439-N441 PolarHBondContact O-N 3.07Å; N441-T443 PolarHBondContact O-N 3.39Å; N441-K479 HydrophobicContact CB-CD 4.49Å; N441-K479 WeakPolarHBondContact OD1-CE 3.42Å; N441-K479 PolarHBondContact OD1-NZ 3.3Å; N441-Q482 PolarHBondContact OD1-NE2 2.93Å
442T97.4Very high95.5Very high2 Ų249.6 Ų49.61%0.01224%0.235CC..  trans-58.4126.2178.8-510000110.5L436 H438 G439 N440 Q446 I447 P480L436-T442 HydrophobicContact CD2-CG2 4.17Å; H438-T442 PolarHBondContact N-OG1 3.36Å; H438-T442 VanDerWaalsContact N-OG1 3.14Å; H438-T442 PolarHBondContact O-N 3.08Å; G439-T442 PolarHBondContact N-OG1 3.32Å; G439-T442 WeakPolarHBondContact O-CB 3.08Å; G439-T442 PolarHBondContact O-N 2.92Å; G439-T442 PolarHBondContact O-OG1 2.91Å; N440-T442 VanDerWaalsContact C-N 3.28Å; T442-Q446 HydrophobicContact CG2-CB 3.79Å; T442-I447 HydrophobicContact CG2-CD1 4.49Å; T442-I447 HydrophobicContact CG2-CG1 3.92Å; T442-P480 VanDerWaalsContact O-CD 3.24Å; T442-P480 WeakPolarHBondContact O-CD 3.49Å
443T97.6Very high95.3Very high28 Ų2845 Ų4517%0.17222%0.22CC..  trans-85.2164.5-17668.20000112.5N441 Q445 Q446 I447 H478N441-T443 PolarHBondContact O-N 3.39Å; T443-Q445 VanDerWaalsContact C-N 3.25Å; T443-Q445 PolarHBondContact O-N 3.45Å; T443-Q446 PolarHBondContact O-N 3.42Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.42Å; T443-Q446 PolarHBondContact OG1-N 3.01Å; T443-I447 WeakPolarHBondContact O-CG1 3.47Å; T443-I447 PolarHBondContact O-N 3.22Å; T443-H478 CarbonylContact C-O 3.52Å; T443-H478 VanDerWaalsContact CA-O 3.26Å; T443-H478 WeakPolarHBondContact CA-O 3.44Å
444V96.3Very high95.2Very high2 Ų244.7 Ų44.71%0.01222%0.218CC..Hα-helixtrans-54.7-43.6171.6168.80000111.3Q446 I447 M448 I463 L474 K475 P476 H478 P480V444-Q446 PolarHBondContact O-N 3.19Å; V444-I447 PolarHBondContact O-N 3.08Å; V444-M448 HydrophobicContact CG1-CG 4.24Å; V444-M448 VanDerWaalsContact O-CG 3.25Å; V444-M448 WeakPolarHBondContact O-CG 3.02Å; V444-M448 PolarHBondContact O-N 3.47Å; V444-I463 HydrophobicContact CG1-CB 3.89Å; V444-I463 HydrophobicContact CG1-CG1 3.92Å; V444-I463 HydrophobicContact CG2-CB 4.21Å; V444-L474 HydrophobicContact CG2-CB 3.63Å; V444-L474 HydrophobicContact CG2-CD1 4.1Å; V444-K475 WeakPolarHBondContact CB-O 3.35Å; V444-K475 VanDerWaalsContact CG2-O 3.26Å; V444-K475 WeakPolarHBondContact CG2-O 3.47Å; V444-P476 PolarHBondContact N-O 3.35Å; V444-H478 HydrophobicContact CG2-CB 4.32Å; V444-H478 PolarHBondContact N-O 3.31Å; V444-P480 HydrophobicContact CG2-CG 3.51Å
445Q95.6Very high94.9Very high106 Ų10652.8 Ų52.850%0.49526%0.255SS..Hα-helixtrans-59.8-47.5179.1-179175.5-1500111.7T443 I447 M448 E449 P476T443-Q445 VanDerWaalsContact C-N 3.25Å; T443-Q445 PolarHBondContact O-N 3.45Å; Q445-I447 VanDerWaalsContact C-N 3.32Å; Q445-I447 PolarHBondContact O-N 3.34Å; Q445-M448 PolarHBondContact O-N 3.02Å; Q445-M448 VanDerWaalsContact O-N 3.15Å; Q445-E449 PolarHBondContact NE2-OE1 3.34Å; Q445-E449 WeakPolarHBondContact O-CG 3.17Å; Q445-E449 PolarHBondContact O-N 3.12Å; Q445-P476 HydrophobicContact CB-CB 4.37Å; Q445-P476 PolarHBondContact N-O 3.25Å
446Q95.9Very high94.6Very high58 Ų5853.1 Ų53.127%0.27126%0.257SS..Hα-helixtrans-63.5-37.9178.3-69.3170.3-25.900112.1H438 T442 T443 V444 E449 G450H438-Q446 PolarHBondContact CD2-NE2 2.85Å; H438-Q446 PolarHBondContact NE2-NE2 3.43Å; T442-Q446 HydrophobicContact CG2-CB 3.79Å; T443-Q446 PolarHBondContact O-N 3.42Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.42Å; T443-Q446 PolarHBondContact OG1-N 3.01Å; V444-Q446 PolarHBondContact O-N 3.19Å; Q446-E449 PolarHBondContact O-N 3.45Å; Q446-G450 PolarHBondContact O-N 3.38Å
447I97.3Very high94.6Very high0 Ų052.8 Ų52.80%026%0.255CS..Hα-helixtrans-63.2-44.8173.4-72.8163.7000110.4I424 V434 L436 T442 T443 V444 Q445 E449 G450 M451 I463 P480I424-I447 HydrophobicContact CD1-CG2 3.78Å; I424-I447 HydrophobicContact CG1-CG2 3.94Å; V434-I447 HydrophobicContact CG1-CG2 4.29Å; L436-I447 HydrophobicContact CD2-CG1 4.48Å; T442-I447 HydrophobicContact CG2-CD1 4.49Å; T442-I447 HydrophobicContact CG2-CG1 3.92Å; T443-I447 WeakPolarHBondContact O-CG1 3.47Å; T443-I447 PolarHBondContact O-N 3.22Å; V444-I447 PolarHBondContact O-N 3.08Å; Q445-I447 VanDerWaalsContact C-N 3.32Å; Q445-I447 PolarHBondContact O-N 3.34Å; I447-E449 VanDerWaalsContact C-N 3.33Å; I447-E449 PolarHBondContact O-N 3.43Å; I447-G450 CarbonylContact O-C 3.54Å; I447-G450 WeakPolarHBondContact O-CA 3.48Å; I447-G450 PolarHBondContact O-N 2.86Å; I447-M451 WeakPolarHBondContact O-CG 3.26Å; I447-M451 PolarHBondContact O-N 3.4Å; I447-M451 VanDerWaalsContact O-N 3.09Å; I447-I463 HydrophobicContact CG2-CD1 3.87Å; I447-I463 HydrophobicContact CG2-CG1 3.95Å; I447-P480 HydrophobicContact CD1-CB 4.3Å; I447-P480 HydrophobicContact CD1-CG 3.73Å
448M97.1Very high94.7Very high8 Ų849.7 Ų49.74%0.03924%0.242CC..Hα-helixtrans-63.1-38.1179.3-69-67.6-61.700112V444 Q445 G450 M451 L453 Q458 F461 I463 L508V444-M448 HydrophobicContact CG1-CG 4.24Å; V444-M448 VanDerWaalsContact O-CG 3.25Å; V444-M448 WeakPolarHBondContact O-CG 3.02Å; V444-M448 PolarHBondContact O-N 3.47Å; Q445-M448 PolarHBondContact O-N 3.02Å; Q445-M448 VanDerWaalsContact O-N 3.15Å; M448-G450 VanDerWaalsContact C-N 3.3Å; M448-G450 PolarHBondContact O-N 3.19Å; M448-M451 WeakPolarHBondContact O-CB 3.46Å; M448-M451 PolarHBondContact O-N 3.27Å; M448-L453 HydrophobicContact CE-CD1 4.39Å; M448-Q458 HydrophobicContact CE-CG 3.72Å; M448-F461 HydrophobicContact CE-CB 4.47Å; M448-F461 WeakPolarHBondContact CE-O 3.34Å; M448-I463 HydrophobicContact CG-CG1 4.07Å; M448-I463 HydrophobicContact SD-CD1 3.65Å; M448-I463 HydrophobicContact SD-CG1 3.76Å; M448-L508 HydrophobicContact CE-CD1 3.77Å; M448-L508 HydrophobicContact SD-CD1 3.66Å
449E94.9Very high94.6Very high109 Ų10952.5 Ų52.551%0.50926%0.256SS..Hα-helixtrans-61.2-39.1171.1-69.5165.1-168.400111.6Q445 Q446 I447 M451Q445-E449 PolarHBondContact NE2-OE1 3.34Å; Q445-E449 WeakPolarHBondContact O-CG 3.17Å; Q445-E449 PolarHBondContact O-N 3.12Å; Q446-E449 PolarHBondContact O-N 3.45Å; I447-E449 VanDerWaalsContact C-N 3.33Å; I447-E449 PolarHBondContact O-N 3.43Å; E449-M451 VanDerWaalsContact C-N 3.28Å; E449-M451 PolarHBondContact O-N 3.36Å
450G94.1Very high94.7Very high33 Ų3353 Ų5334%0.3426%0.257SS..Hα-helixtrans-71.7-13.3176.200000115.4Q446 I447 M448 R452Q446-G450 PolarHBondContact O-N 3.38Å; I447-G450 CarbonylContact O-C 3.54Å; I447-G450 WeakPolarHBondContact O-CA 3.48Å; I447-G450 PolarHBondContact O-N 2.86Å; M448-G450 VanDerWaalsContact C-N 3.3Å; M448-G450 PolarHBondContact O-N 3.19Å; G450-R452 PolarHBondContact O-N 3.23Å
451M93.2Very high94.8Very high6 Ų653.3 Ų53.33%0.0326%0.258CS..THydrogen-bonded Turntrans-72.5-12.1179.4-72.1-69.4-76.800113.7I424 R432 V434 I447 M448 E449 L453 L508I424-M451 HydrophobicContact CB-CE 4.15Å; I424-M451 HydrophobicContact CB-SD 3.81Å; I424-M451 HydrophobicContact CG1-SD 3.9Å; I424-M451 HydrophobicContact CG2-CE 3.86Å; I424-M451 HydrophobicContact CG2-SD 3.95Å; R432-M451 HydrophobicContact CB-CE 4.27Å; R432-M451 HydrophobicContact CB-SD 4.2Å; R432-M451 VanDerWaalsContact CD-O 3.28Å; R432-M451 WeakPolarHBondContact CD-O 3.5Å; R432-M451 HydrophobicContact CG-SD 4.34Å; R432-M451 PolarHBondContact NE-O 3Å; V434-M451 HydrophobicContact CG2-CG 4.11Å; V434-M451 HydrophobicContact CG2-SD 3.36Å; V434-M451 WeakPolarHBondContact CG2-SD 3.41Å; I447-M451 WeakPolarHBondContact O-CG 3.26Å; I447-M451 PolarHBondContact O-N 3.4Å; I447-M451 VanDerWaalsContact O-N 3.09Å; M448-M451 WeakPolarHBondContact O-CB 3.46Å; M448-M451 PolarHBondContact O-N 3.27Å; E449-M451 VanDerWaalsContact C-N 3.28Å; E449-M451 PolarHBondContact O-N 3.36Å; M451-L453 VanDerWaalsContact C-N 3.25Å; M451-L453 HydrophobicContact CB-CD1 4.11Å; M451-L453 HydrophobicContact CB-CG 3.9Å; M451-L453 PolarHBondContact O-N 3.4Å; M451-L508 HydrophobicContact CE-CB 4.13Å; M451-L508 HydrophobicContact CE-CD1 4.45Å; M451-L508 HydrophobicContact CE-CD2 3.81Å; M451-L508 HydrophobicContact CE-CG 4.35Å
452R88.1Confident95Very high214 Ų21453 Ų5381%0.80826%0.257SS*.THydrogen-bonded Turntrans55.238.5-176.6-55.3-177.1-179.9-178.6-1.2113.1G450G450-R452 PolarHBondContact O-N 3.23Å
453L93.2Very high95Very high23 Ų2353 Ų5312%0.1226%0.257CS..  trans-85.4149170.3-58.1176.1000108.9M448 M451 T457 Q458 L508 L526M448-L453 HydrophobicContact CE-CD1 4.39Å; M451-L453 VanDerWaalsContact C-N 3.25Å; M451-L453 HydrophobicContact CB-CD1 4.11Å; M451-L453 HydrophobicContact CB-CG 3.9Å; M451-L453 PolarHBondContact O-N 3.4Å; L453-T457 HydrophobicContact CD2-CG2 4.26Å; L453-Q458 HydrophobicContact CB-CB 4.3Å; L453-L508 HydrophobicContact CD1-CD1 4.38Å; L453-L508 HydrophobicContact CD1-CD2 3.99Å; L453-L526 HydrophobicContact CD2-CD2 3.89Å
454S94.2Very high95.1Very high57 Ų5752 Ų5240%0.39925%0.25SS..  trans-65.8156.9168.374.80000109.4E456 T457 Q458S454-E456 PolarHBondContact O-N 3.36Å; S454-T457 PolarHBondContact O-N 3.49Å; S454-T457 PolarHBondContact OG-N 3.05Å; S454-T457 VanDerWaalsContact OG-N 3.1Å; S454-T457 PolarHBondContact OG-OG1 3.18Å; S454-Q458 VanDerWaalsContact O-CB 3.27Å; S454-Q458 WeakPolarHBondContact O-CB 3.38Å; S454-Q458 PolarHBondContact O-N 3.42Å
455Q90.9Very high95.1Very high171 Ų17152 Ų5280%0.79925%0.25SC*.Hα-helixtrans-58-35.2175.6-71-176.7-12.800111.8Q458 Q459Q455-Q458 PolarHBondContact O-N 3.07Å; Q455-Q459 PolarHBondContact O-N 3.27Å
456E91.2Very high95.1Very high103 Ų10347.3 Ų47.348%0.48123%0.228SC..Hα-helixtrans-63.2-46.4176.2-172.9-179.7-179.400112S454 Q459 Y460S454-E456 PolarHBondContact O-N 3.36Å; E456-Q459 VanDerWaalsContact O-CG 3.32Å; E456-Q459 WeakPolarHBondContact O-CG 3.45Å; E456-Q459 PolarHBondContact O-NE2 3.36Å; E456-Y460 WeakPolarHBondContact O-CD2 3.49Å; E456-Y460 WeakPolarHBondContact O-CE2 3.49Å
457T94.6Very high95Very high3 Ų345.2 Ų45.22%0.01822%0.221CC..Hα-helixtrans-69-39.4177.1-49.50000111.4L453 S454 Q459 Y460 F461 D524 L526 A527 I530L453-T457 HydrophobicContact CD2-CG2 4.26Å; S454-T457 PolarHBondContact O-N 3.49Å; S454-T457 PolarHBondContact OG-N 3.05Å; S454-T457 VanDerWaalsContact OG-N 3.1Å; S454-T457 PolarHBondContact OG-OG1 3.18Å; T457-Q459 VanDerWaalsContact C-N 3.29Å; T457-Q459 PolarHBondContact O-N 2.84Å; T457-Y460 WeakPolarHBondContact O-CD2 3.21Å; T457-Y460 PolarHBondContact O-N 2.97Å; T457-F461 HydrophobicContact CG2-CD2 4.31Å; T457-F461 HydrophobicContact CG2-CE2 3.91Å; T457-F461 WeakPolarHBondContact O-CD2 3.31Å; T457-F461 WeakPolarHBondContact O-CE2 3.26Å; T457-D524 PolarHBondContact OG1-OD2 2.8Å; T457-L526 HydrophobicContact CG2-CD2 4.28Å; T457-L526 HydrophobicContact CG2-CG 4.22Å; T457-A527 HydrophobicContact CG2-CB 4.13Å; T457-I530 HydrophobicContact CG2-CD1 4.45Å
458Q93.7Very high94.6Very high53 Ų5353.2 Ų53.225%0.24826%0.258CS..Hα-helixtrans-63.3-32.5-171-169.7177.4-0.900113M448 L453 S454 Q455 Y460 F461M448-Q458 HydrophobicContact CE-CG 3.72Å; L453-Q458 HydrophobicContact CB-CB 4.3Å; S454-Q458 VanDerWaalsContact O-CB 3.27Å; S454-Q458 WeakPolarHBondContact O-CB 3.38Å; S454-Q458 PolarHBondContact O-N 3.42Å; Q455-Q458 PolarHBondContact O-N 3.07Å; Q458-Y460 PolarHBondContact O-N 3.42Å; Q458-Y460 VanDerWaalsContact O-N 3.12Å; Q458-F461 PolarHBondContact O-N 3.45Å; Q458-F461 VanDerWaalsContact O-O 3.14Å
459Q94.5Very high94.1Very high109 Ų10955.9 Ų55.951%0.50927%0.272SS..THydrogen-bonded Turntrans-63.5-18.7-176.178.8-169.3-56.700114.3Q455 E456 T457Q455-Q459 PolarHBondContact O-N 3.27Å; E456-Q459 VanDerWaalsContact O-CG 3.32Å; E456-Q459 WeakPolarHBondContact O-CG 3.45Å; E456-Q459 PolarHBondContact O-NE2 3.36Å; T457-Q459 VanDerWaalsContact C-N 3.29Å; T457-Q459 PolarHBondContact O-N 2.84Å
460Y97.6Very high94Very high13 Ų1350.9 Ų50.95%0.05125%0.249CC..THydrogen-bonded Turntrans-90.3-14.3-176.3-50.7-53.3000113.6E456 T457 Q458 D511 L514 I518 I522 A527E456-Y460 WeakPolarHBondContact O-CD2 3.49Å; E456-Y460 WeakPolarHBondContact O-CE2 3.49Å; T457-Y460 WeakPolarHBondContact O-CD2 3.21Å; T457-Y460 PolarHBondContact O-N 2.97Å; Q458-Y460 PolarHBondContact O-N 3.42Å; Q458-Y460 VanDerWaalsContact O-N 3.12Å; Y460-D511 PolarHBondContact O-N 3.02Å; Y460-L514 HydrophobicContact CD1-CD1 3.71Å; Y460-L514 HydrophobicContact CD1-CD2 4.02Å; Y460-L514 HydrophobicContact CE1-CD1 4.38Å; Y460-L514 HydrophobicContact CG-CD2 4.41Å; Y460-I518 HydrophobicContact CE1-CG2 4.03Å; Y460-I522 HydrophobicContact CD1-CD1 3.67Å; Y460-I522 HydrophobicContact CD1-CG1 4.31Å; Y460-I522 HydrophobicContact CD2-CD1 3.85Å; Y460-I522 HydrophobicContact CD2-CG1 4.48Å; Y460-I522 HydrophobicContact CE1-CD1 3.64Å; Y460-I522 HydrophobicContact CE1-CG1 3.75Å; Y460-I522 HydrophobicContact CE2-CD1 3.79Å; Y460-I522 HydrophobicContact CE2-CG1 3.91Å; Y460-I522 HydrophobicContact CE2-CG2 4.2Å; Y460-I522 HydrophobicContact CG-CD1 3.78Å; Y460-A527 HydrophobicContact CD2-CB 3.67Å; Y460-A527 HydrophobicContact CE2-CB 3.92Å
461F98.5Very high94Very high6 Ų651 Ų513%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-130.4157.4-168.3-50.9-71.8000112.1M448 T457 Q458 L508 R509 A527 I530 L531M448-F461 HydrophobicContact CE-CB 4.47Å; M448-F461 WeakPolarHBondContact CE-O 3.34Å; T457-F461 HydrophobicContact CG2-CD2 4.31Å; T457-F461 HydrophobicContact CG2-CE2 3.91Å; T457-F461 WeakPolarHBondContact O-CD2 3.31Å; T457-F461 WeakPolarHBondContact O-CE2 3.26Å; Q458-F461 PolarHBondContact O-N 3.45Å; Q458-F461 VanDerWaalsContact O-O 3.14Å; F461-L508 HydrophobicContact CB-CD1 3.56Å; F461-L508 HydrophobicContact CB-CG 3.95Å; F461-L508 HydrophobicContact CG-CD1 4.43Å; F461-L508 HydrophobicContact CG-CG 4.37Å; F461-R509 VanDerWaalsContact CA-O 3.28Å; F461-R509 WeakPolarHBondContact CA-O 3.44Å; F461-A527 HydrophobicContact CE2-CB 4.14Å; F461-A527 HydrophobicContact CZ-CB 4.32Å; F461-I530 HydrophobicContact CD1-CG2 3.83Å; F461-I530 HydrophobicContact CD2-CD1 4.43Å; F461-I530 HydrophobicContact CE1-CB 3.84Å; F461-I530 HydrophobicContact CE1-CG2 3.35Å; F461-I530 HydrophobicContact CE2-CB 4.22Å; F461-I530 HydrophobicContact CE2-CD1 3.96Å; F461-I530 HydrophobicContact CE2-CG2 4.28Å; F461-I530 HydrophobicContact CG-CG2 4.47Å; F461-I530 HydrophobicContact CZ-CB 3.57Å; F461-I530 HydrophobicContact CZ-CD1 4.21Å; F461-I530 HydrophobicContact CZ-CG1 4.49Å; F461-I530 HydrophobicContact CZ-CG2 3.62Å; F461-L531 HydrophobicContact CE1-CD2 3.64Å; F461-L531 HydrophobicContact CE1-CG 3.74Å; F461-L531 HydrophobicContact CZ-CD1 4.46Å; F461-L531 HydrophobicContact CZ-CD2 4.17Å; F461-L531 HydrophobicContact CZ-CG 3.79Å
462T98.4Very high94.2Very high10 Ų1052 Ų526%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-149177.6169.3-163.40000110.3Q473 R509 D511T462-Q473 HydrophobicContact CG2-CG 3.48Å; T462-Q473 VanDerWaalsContact CG2-CG 3.48Å; T462-R509 PolarHBondContact N-O 3.01Å; T462-R509 PolarHBondContact O-N 3.35Å; T462-R509 VanDerWaalsContact O-N 3.11Å; T462-D511 HydrophobicContact CG2-CB 4.44Å
463I98.5Very high94.7Very high0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-84.9132.9178.8-55.9-58.6000110.1I424 V444 I447 M448 L474 P480 L506 F507 L508I424-I463 HydrophobicContact CG2-CD1 3.69Å; V444-I463 HydrophobicContact CG1-CB 3.89Å; V444-I463 HydrophobicContact CG1-CG1 3.92Å; V444-I463 HydrophobicContact CG2-CB 4.21Å; I447-I463 HydrophobicContact CG2-CD1 3.87Å; I447-I463 HydrophobicContact CG2-CG1 3.95Å; M448-I463 HydrophobicContact CG-CG1 4.07Å; M448-I463 HydrophobicContact SD-CD1 3.65Å; M448-I463 HydrophobicContact SD-CG1 3.76Å; I463-L474 HydrophobicContact CG2-CD1 4.28Å; I463-L474 WeakPolarHBondContact O-CB 3.29Å; I463-L474 PolarHBondContact O-N 2.95Å; I463-P480 HydrophobicContact CG2-CG 4.47Å; I463-L506 HydrophobicContact CG2-CB 4.28Å; I463-L506 HydrophobicContact CG2-CD2 4.33Å; I463-F507 CarbonylContact C-O 3.47Å; I463-F507 WeakPolarHBondContact CA-O 3.37Å; I463-L508 HydrophobicContact CD1-CD1 4.37Å
464W98.6Very high94.7Very high9 Ų943.2 Ų43.23%0.03422%0.218CC..EExtended strand (participates in β ladder)trans-116.5148.1172.5-7059.9000109.1L472 Q473 L506 F507 R509 R510 V512 A638W464-L472 CarbonylContact C-O 3.57Å; W464-L472 VanDerWaalsContact CA-O 3.28Å; W464-L472 WeakPolarHBondContact CA-O 3.49Å; W464-L472 VanDerWaalsContact CE3-C 3.49Å; W464-Q473 HydrophobicContact CD2-CB 3.75Å; W464-Q473 HydrophobicContact CD2-CG 4.25Å; W464-Q473 HydrophobicContact CE3-CB 4.04Å; W464-Q473 HydrophobicContact CG-CB 4.36Å; W464-Q473 HydrophobicContact CH2-CB 4.01Å; W464-Q473 HydrophobicContact CZ2-CB 3.72Å; W464-Q473 HydrophobicContact CZ2-CG 4.08Å; W464-Q473 HydrophobicContact CZ3-CB 4.15Å; W464-L506 CarbonylContact O-C 3.52Å; W464-L506 WeakPolarHBondContact O-CA 3.34Å; W464-F507 PolarHBondContact N-O 2.97Å; W464-F507 PolarHBondContact O-N 3.23Å; W464-R509 HydrophobicContact CB-CG 4.36Å; W464-R509 HydrophobicContact CD2-CB 4.33Å; W464-R509 HydrophobicContact CG-CB 3.97Å; W464-R509 HydrophobicContact CG-CG 4.19Å; W464-R510 WeakPolarHBondContact CZ2-O 3.43Å; W464-R510 PolarHBondContact NE1-O 3.34Å; W464-V512 HydrophobicContact CH2-CB 4.48Å; W464-V512 HydrophobicContact CZ2-CB 4.28Å; W464-A638 HydrophobicContact CH2-CB 4.03Å; W464-A638 HydrophobicContact CZ3-CB 4.48Å
465I97.8Very high94.7Very high1 Ų145.4 Ų45.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-101.8126.3163.9-173.8166.8000107.6L472 L474 H483 I484 W487 L506I465-L472 HydrophobicContact CG2-CB 3.87Å; I465-L472 PolarHBondContact N-O 2.81Å; I465-L472 PolarHBondContact O-N 3.37Å; I465-L474 HydrophobicContact CB-CD1 4.31Å; I465-L474 HydrophobicContact CB-CD2 4.48Å; I465-L474 HydrophobicContact CB-CG 4.48Å; I465-L474 HydrophobicContact CG2-CD1 4.43Å; I465-L474 HydrophobicContact CG2-CD2 3.74Å; I465-L474 HydrophobicContact CG2-CG 4.16Å; I465-H483 HydrophobicContact CD1-CB 3.82Å; I465-I484 HydrophobicContact CD1-CG1 3.77Å; I465-W487 HydrophobicContact CB-CZ3 4.32Å; I465-W487 HydrophobicContact CD1-CD2 4.38Å; I465-W487 HydrophobicContact CD1-CE3 3.46Å; I465-W487 VanDerWaalsContact CD1-CE3 3.46Å; I465-W487 HydrophobicContact CD1-CZ3 3.66Å; I465-W487 HydrophobicContact CG1-CE3 3.92Å; I465-W487 HydrophobicContact CG1-CH2 4.33Å; I465-W487 HydrophobicContact CG1-CZ3 3.66Å; I465-W487 HydrophobicContact CG2-CH2 4.49Å; I465-W487 HydrophobicContact CG2-CZ3 3.78Å; I465-L506 HydrophobicContact CB-CD2 4.2Å; I465-L506 HydrophobicContact CG1-CD2 4.34Å
466C95.4Very high94.7Very high7 Ų739.9 Ų39.95%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-135.2140.1-175.4-55.60000110.6L470 S471 S504 Q505 F507C466-L470 CarbonylContact C-O 3.54Å; C466-L470 WeakPolarHBondContact CA-O 3.48Å; C466-S471 PolarHBondContact SG-OG 3.25Å; C466-S504 CarbonylContact O-C 3.53Å; C466-S504 WeakPolarHBondContact O-CA 3.46Å; C466-Q505 PolarHBondContact N-O 2.89Å; C466-Q505 PolarHBondContact O-N 2.96Å; C466-F507 HydrophobicContact CB-CD2 3.56Å; C466-F507 HydrophobicContact CB-CE2 3.68Å
467S92.9Very high94.8Very high15 Ų1542.1 Ų42.111%0.10520%0.204CC..  trans-117.6-169.9165.163.10000108.5N469 L470 W487 E502S467-N469 VanDerWaalsContact C-N 3.33Å; S467-N469 PolarHBondContact O-N 3.34Å; S467-L470 PolarHBondContact N-O 3.48Å; S467-L470 PolarHBondContact OG-N 2.98Å; S467-L470 PolarHBondContact OG-O 2.91Å; S467-W487 VanDerWaalsContact OG-CZ2 3.32Å; S467-W487 WeakPolarHBondContact OG-CZ2 3.5Å; S467-E502 WeakPolarHBondContact CB-OE2 3.49Å; S467-E502 PolarHBondContact OG-OE2 3.33Å
468E88.4Confident94.8Very high168 Ų16844.2 Ų44.279%0.78521%0.213SC*.SBendtrans-64.9-41.3178-172.8175.9174.800111.2E502E468-E502 PolarHBondContact N-OE2 3.07Å
469N87.8Confident94.9Very high63 Ų6344.6 Ų44.634%0.33721%0.214SC..SBendtrans-112.3-7.4-170.7-69.6-65.6000115.3S467 L497 E502S467-N469 VanDerWaalsContact C-N 3.33Å; S467-N469 PolarHBondContact O-N 3.34Å; N469-L497 HydrophobicContact CB-CD1 3.69Å; N469-E502 PolarHBondContact N-OE2 3.17Å; N469-E502 PolarHBondContact ND2-OE1 2.72Å
470L92Very high95Very high4 Ų439.4 Ų39.42%0.02119%0.19CC..  trans-136.9127.7178.6-176.864000111.4C466 S467 L472 W487 F491 L494 T495C466-L470 CarbonylContact C-O 3.54Å; C466-L470 WeakPolarHBondContact CA-O 3.48Å; S467-L470 PolarHBondContact N-O 3.48Å; S467-L470 PolarHBondContact OG-N 2.98Å; S467-L470 PolarHBondContact OG-O 2.91Å; L470-L472 HydrophobicContact CD1-CD2 4.02Å; L470-L472 HydrophobicContact CD1-CG 4.29Å; L470-L472 HydrophobicContact CD2-CD1 4.21Å; L470-L472 HydrophobicContact CD2-CG 4.45Å; L470-L472 HydrophobicContact CG-CD1 4.43Å; L470-L472 HydrophobicContact CG-CD2 4.41Å; L470-L472 HydrophobicContact CG-CG 4.13Å; L470-W487 HydrophobicContact CB-CH2 4.18Å; L470-W487 HydrophobicContact CB-CZ2 4.07Å; L470-W487 HydrophobicContact CD2-CH2 3.76Å; L470-W487 HydrophobicContact CD2-CZ2 4.03Å; L470-W487 HydrophobicContact CG-CH2 3.96Å; L470-W487 HydrophobicContact CG-CZ2 4.3Å; L470-F491 HydrophobicContact CB-CD2 4.07Å; L470-F491 HydrophobicContact CB-CE2 3.83Å; L470-F491 HydrophobicContact CD2-CD2 3.84Å; L470-F491 HydrophobicContact CD2-CE2 4.37Å; L470-L494 HydrophobicContact CD2-CB 4.32Å; L470-L494 HydrophobicContact CD2-CD1 4.25Å; L470-T495 HydrophobicContact CD2-CG2 4.1Å
471S95.5Very high94.9Very high35 Ų3540.3 Ų40.325%0.24520%0.195CC..EExtended strand (participates in β ladder)trans-126.8124.5175.3-66.20000109.9C466 R509C466-S471 PolarHBondContact SG-OG 3.25Å; S471-R509 PolarHBondContact OG-NH1 3Å
472L96.5Very high94.7Very high27 Ų2741.9 Ų41.914%0.14120%0.203CC..EExtended strand (participates in β ladder)trans-126.5128.1-178.3-59.4174.7000110.7W464 I465 L470 W487 I490 L494 L717W464-L472 CarbonylContact C-O 3.57Å; W464-L472 VanDerWaalsContact CA-O 3.28Å; W464-L472 WeakPolarHBondContact CA-O 3.49Å; W464-L472 VanDerWaalsContact CE3-C 3.49Å; I465-L472 HydrophobicContact CG2-CB 3.87Å; I465-L472 PolarHBondContact N-O 2.81Å; I465-L472 PolarHBondContact O-N 3.37Å; L470-L472 HydrophobicContact CD1-CD2 4.02Å; L470-L472 HydrophobicContact CD1-CG 4.29Å; L470-L472 HydrophobicContact CD2-CD1 4.21Å; L470-L472 HydrophobicContact CD2-CG 4.45Å; L470-L472 HydrophobicContact CG-CD1 4.43Å; L470-L472 HydrophobicContact CG-CD2 4.41Å; L470-L472 HydrophobicContact CG-CG 4.13Å; L472-W487 HydrophobicContact CD1-CZ3 4.34Å; L472-I490 HydrophobicContact CD1-CG2 3.98Å; L472-L494 HydrophobicContact CD1-CD1 3.74Å; L472-L494 HydrophobicContact CD2-CD1 4.29Å; L472-L717 HydrophobicContact CD2-CD1 3.95Å
473Q97.9Very high94.5Very high47 Ų4743.7 Ų43.722%0.2221%0.21CC..EExtended strand (participates in β ladder)trans-74.1126169.7-173.2170.6-54.700109.5T462 W464 D511 V512T462-Q473 HydrophobicContact CG2-CG 3.48Å; T462-Q473 VanDerWaalsContact CG2-CG 3.48Å; W464-Q473 HydrophobicContact CD2-CB 3.75Å; W464-Q473 HydrophobicContact CD2-CG 4.25Å; W464-Q473 HydrophobicContact CE3-CB 4.04Å; W464-Q473 HydrophobicContact CG-CB 4.36Å; W464-Q473 HydrophobicContact CH2-CB 4.01Å; W464-Q473 HydrophobicContact CZ2-CB 3.72Å; W464-Q473 HydrophobicContact CZ2-CG 4.08Å; W464-Q473 HydrophobicContact CZ3-CB 4.15Å; Q473-D511 PolarHBondContact NE2-OD1 3.46Å; Q473-D511 PolarHBondContact OE1-OD1 2.96Å; Q473-V512 VanDerWaalsContact OE1-CG1 3.29Å
474L93.5Very high94.3Very high7 Ų746.3 Ų46.34%0.03722%0.224CC..PPolyproline II helixtrans-86.7154.3177.5-59.6-178.8000111.1V444 I463 I465 H478 P480V444-L474 HydrophobicContact CG2-CB 3.63Å; V444-L474 HydrophobicContact CG2-CD1 4.1Å; I463-L474 HydrophobicContact CG2-CD1 4.28Å; I463-L474 WeakPolarHBondContact O-CB 3.29Å; I463-L474 PolarHBondContact O-N 2.95Å; I465-L474 HydrophobicContact CB-CD1 4.31Å; I465-L474 HydrophobicContact CB-CD2 4.48Å; I465-L474 HydrophobicContact CB-CG 4.48Å; I465-L474 HydrophobicContact CG2-CD1 4.43Å; I465-L474 HydrophobicContact CG2-CD2 3.74Å; I465-L474 HydrophobicContact CG2-CG 4.16Å; L474-H478 HydrophobicContact CB-CB 4.28Å; L474-P480 HydrophobicContact CD1-CB 3.65Å; L474-P480 HydrophobicContact CD1-CG 3.71Å
475K94Very high94Very high103 Ų10348.6 Ų48.645%0.44823%0.233SC..PPolyproline II helixtrans-86.8156.1174.5-64.4-177.2178.2176.90110.4V444 Y477 H478V444-K475 WeakPolarHBondContact CB-O 3.35Å; V444-K475 VanDerWaalsContact CG2-O 3.26Å; V444-K475 WeakPolarHBondContact CG2-O 3.47Å; K475-Y477 HydrophobicContact CB-CD1 4.11Å; K475-Y477 HydrophobicContact CB-CE1 3.81Å; K475-Y477 HydrophobicContact CB-CE2 4.4Å; K475-Y477 HydrophobicContact CD-CE1 3.63Å; K475-Y477 HydrophobicContact CD-CE2 4.14Å; K475-Y477 WeakPolarHBondContact CD-OH 3.45Å; K475-Y477 HydrophobicContact CG-CE1 4.37Å; K475-Y477 PolarHBondContact NZ-OH 3.23Å; K475-Y477 PolarHBondContact O-N 2.94Å; K475-H478 PolarHBondContact N-ND1 2.97Å; K475-H478 WeakPolarHBondContact O-CB 3.45Å; K475-H478 PolarHBondContact O-N 2.97Å
476P91.9Very high93.7Very high55 Ų5551 Ų5136%0.35725%0.245SC..THydrogen-bonded Turntrans-53.6-33-177.8-28.836.1000115V444 Q445V444-P476 PolarHBondContact N-O 3.35Å; Q445-P476 HydrophobicContact CB-CB 4.37Å; Q445-P476 PolarHBondContact N-O 3.25Å
477Y92.7Very high93.6Very high149 Ų14950.9 Ų50.958%0.58424%0.244SC*.THydrogen-bonded Turntrans-91.7-4.8-179.359.6-99.3000114.4K475K475-Y477 HydrophobicContact CB-CD1 4.11Å; K475-Y477 HydrophobicContact CB-CE1 3.81Å; K475-Y477 HydrophobicContact CB-CE2 4.4Å; K475-Y477 HydrophobicContact CD-CE1 3.63Å; K475-Y477 HydrophobicContact CD-CE2 4.14Å; K475-Y477 WeakPolarHBondContact CD-OH 3.45Å; K475-Y477 HydrophobicContact CG-CE1 4.37Å; K475-Y477 PolarHBondContact NZ-OH 3.23Å; K475-Y477 PolarHBondContact O-N 2.94Å
478H93.9Very high93.5Very high47 Ų4752.9 Ų52.922%0.21826%0.257CS..  trans-68.3154.4174.3-72.8-178.7000110.5T443 V444 L474 K475 P480 H483T443-H478 CarbonylContact C-O 3.52Å; T443-H478 VanDerWaalsContact CA-O 3.26Å; T443-H478 WeakPolarHBondContact CA-O 3.44Å; V444-H478 HydrophobicContact CG2-CB 4.32Å; V444-H478 PolarHBondContact N-O 3.31Å; L474-H478 HydrophobicContact CB-CB 4.28Å; K475-H478 PolarHBondContact N-ND1 2.97Å; K475-H478 WeakPolarHBondContact O-CB 3.45Å; K475-H478 PolarHBondContact O-N 2.97Å; H478-P480 WeakPolarHBondContact O-CD 3.29Å; H478-H483 AromaticContact CG-NE2 3.51Å; H478-H483 AromaticContact ND1-NE2 3.48Å; H478-H483 PolarHBondContact ND1-NE2 3.4Å
479K97.3Very high93.7Very high62 Ų6250.5 Ų50.527%0.2725%0.246SC..  trans-106.696.6178.7-64.9173.9171.7-175.80108.6N441 L481 Q482 H483N441-K479 HydrophobicContact CB-CD 4.49Å; N441-K479 WeakPolarHBondContact OD1-CE 3.42Å; N441-K479 PolarHBondContact OD1-NZ 3.3Å; K479-L481 VanDerWaalsContact C-N 3.3Å; K479-L481 PolarHBondContact O-N 2.8Å; K479-Q482 HydrophobicContact CB-CB 4.18Å; K479-Q482 HydrophobicContact CB-CG 3.94Å; K479-Q482 HydrophobicContact CD-CG 4.47Å; K479-Q482 PolarHBondContact O-N 3.13Å; K479-Q482 VanDerWaalsContact O-N 3.1Å; K479-H483 PolarHBondContact O-CD2 3.4Å; K479-H483 PolarHBondContact O-N 3.33Å
480P96.1Very high93.8Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-62.5-34.3-165.9-28.540.2000114.3T442 V444 I447 I463 L474 H478 Q482 H483 I484 L506T442-P480 VanDerWaalsContact O-CD 3.24Å; T442-P480 WeakPolarHBondContact O-CD 3.49Å; V444-P480 HydrophobicContact CG2-CG 3.51Å; I447-P480 HydrophobicContact CD1-CB 4.3Å; I447-P480 HydrophobicContact CD1-CG 3.73Å; I463-P480 HydrophobicContact CG2-CG 4.47Å; L474-P480 HydrophobicContact CD1-CB 3.65Å; L474-P480 HydrophobicContact CD1-CG 3.71Å; H478-P480 WeakPolarHBondContact O-CD 3.29Å; P480-Q482 VanDerWaalsContact C-N 3.31Å; P480-Q482 PolarHBondContact O-N 3.32Å; P480-H483 WeakPolarHBondContact O-CB 3.5Å; P480-H483 PolarHBondContact O-N 3.1Å; P480-I484 WeakPolarHBondContact O-CG1 3.4Å; P480-I484 PolarHBondContact O-N 3.08Å; P480-L506 HydrophobicContact CB-CD1 3.7Å; P480-L506 HydrophobicContact CB-CD2 3.66Å; P480-L506 HydrophobicContact CB-CG 4.35Å
481L95.6Very high93.8Very high31 Ų3148.6 Ų48.616%0.16224%0.235CC..Hα-helixtrans-68.2-31178.6-72154.6000112.4L436 G439 N440 K479 I484 R485L436-L481 HydrophobicContact CD1-CD1 3.42Å; L436-L481 VanDerWaalsContact CD1-CD1 3.42Å; L436-L481 HydrophobicContact CD2-CD1 3.61Å; L436-L481 HydrophobicContact CG-CD1 4.08Å; G439-L481 WeakPolarHBondContact O-CD1 3.27Å; N440-L481 HydrophobicContact CB-CB 3.79Å; N440-L481 HydrophobicContact CB-CD1 4.47Å; K479-L481 VanDerWaalsContact C-N 3.3Å; K479-L481 PolarHBondContact O-N 2.8Å; L481-I484 HydrophobicContact CD2-CD1 4.33Å; L481-I484 PolarHBondContact O-N 3.41Å; L481-R485 PolarHBondContact O-N 3.35Å
482Q94.8Very high93.6Very high39 Ų3950.5 Ų50.518%0.18225%0.245CC..Hα-helixtrans-67.6-40.6171.7-61.8-172.8-1.900110.7N440 N441 K479 P480 I484 R485 D486N440-Q482 HydrophobicContact CB-CG 4.47Å; N441-Q482 PolarHBondContact OD1-NE2 2.93Å; K479-Q482 HydrophobicContact CB-CB 4.18Å; K479-Q482 HydrophobicContact CB-CG 3.94Å; K479-Q482 HydrophobicContact CD-CG 4.47Å; K479-Q482 PolarHBondContact O-N 3.13Å; K479-Q482 VanDerWaalsContact O-N 3.1Å; P480-Q482 VanDerWaalsContact C-N 3.31Å; P480-Q482 PolarHBondContact O-N 3.32Å; Q482-I484 VanDerWaalsContact C-N 3.29Å; Q482-I484 PolarHBondContact O-N 3.17Å; Q482-R485 PolarHBondContact O-N 3.1Å; Q482-D486 WeakPolarHBondContact O-CB 3.4Å; Q482-D486 PolarHBondContact O-N 3.14Å
483H93.5Very high93.3Very high48 Ų4855.3 Ų55.322%0.22227%0.267CS..Hα-helixtrans-64.9-29.9173.2-67.5-63.8000113.8I465 H478 K479 P480 W487 I490I465-H483 HydrophobicContact CD1-CB 3.82Å; H478-H483 AromaticContact CG-NE2 3.51Å; H478-H483 AromaticContact ND1-NE2 3.48Å; H478-H483 PolarHBondContact ND1-NE2 3.4Å; K479-H483 PolarHBondContact O-CD2 3.4Å; K479-H483 PolarHBondContact O-N 3.33Å; P480-H483 WeakPolarHBondContact O-CB 3.5Å; P480-H483 PolarHBondContact O-N 3.1Å; H483-W487 WeakPolarHBondContact O-CA 3.44Å; H483-W487 PolarHBondContact O-N 3.32Å; H483-W487 VanDerWaalsContact O-N 3.09Å; H483-I490 HydrophobicContact CB-CD1 4.03Å
484I94.6Very high93Very high56 Ų5654 Ų5429%0.28726%0.262SS..Hα-helixtrans-68.6-44.1172.1-69.1173.2000110.4I465 P480 L481 Q482 W487 L506I465-I484 HydrophobicContact CD1-CG1 3.77Å; P480-I484 WeakPolarHBondContact O-CG1 3.4Å; P480-I484 PolarHBondContact O-N 3.08Å; L481-I484 HydrophobicContact CD2-CD1 4.33Å; L481-I484 PolarHBondContact O-N 3.41Å; Q482-I484 VanDerWaalsContact C-N 3.29Å; Q482-I484 PolarHBondContact O-N 3.17Å; I484-W487 WeakPolarHBondContact O-CB 3.41Å; I484-W487 PolarHBondContact O-N 2.87Å; I484-L506 HydrophobicContact CD1-CD1 4.16Å; I484-L506 HydrophobicContact CD1-CD2 3.9Å; I484-L506 HydrophobicContact CD1-CG 3.81Å; I484-L506 HydrophobicContact CG1-CD2 4.21Å
485R91.8Very high92.9Very high56 Ų5654.1 Ų54.121%0.21126%0.262CS..Hα-helixtrans-63.1-46.3177.8-174-173.565.9-142.8-0.6111.3N347 E379 N440 L481 Q482 W487N347-R485 PolarHBondContact ND2-NH1 2.99Å; E379-R485 IonicContact OE2-NH1 3.25Å; N440-R485 PolarHBondContact ND2-NH1 3.03Å; L481-R485 PolarHBondContact O-N 3.35Å; Q482-R485 PolarHBondContact O-N 3.1Å; R485-W487 PolarHBondContact O-N 3.08Å
486D91.3Very high92.6Very high51 Ų5155.7 Ų55.727%0.27328%0.276SS..THydrogen-bonded Turntrans-8715.9-177.6-49.2-19.9000111.4Q482 E489 I490Q482-D486 WeakPolarHBondContact O-CB 3.4Å; Q482-D486 PolarHBondContact O-N 3.14Å; D486-E489 VanDerWaalsContact C-OE2 3.23Å; D486-E489 VanDerWaalsContact CA-OE2 3.27Å; D486-E489 WeakPolarHBondContact CA-OE2 3.31Å; D486-E489 PolarHBondContact O-N 2.98Å; D486-I490 HydrophobicContact CB-CD1 4.44Å; D486-I490 VanDerWaalsContact O-CG1 3.27Å; D486-I490 WeakPolarHBondContact O-CG1 2.98Å; D486-I490 PolarHBondContact O-N 3.22Å
487W93.7Very high92.3Very high6 Ų657.1 Ų57.12%0.02328%0.28CS..Hα-helixtrans-59.4-42.6-177.8-173-108.9000113.1I465 S467 L470 L472 H483 I484 R485 E489 I490 F491I465-W487 HydrophobicContact CB-CZ3 4.32Å; I465-W487 HydrophobicContact CD1-CD2 4.38Å; I465-W487 HydrophobicContact CD1-CE3 3.46Å; I465-W487 VanDerWaalsContact CD1-CE3 3.46Å; I465-W487 HydrophobicContact CD1-CZ3 3.66Å; I465-W487 HydrophobicContact CG1-CE3 3.92Å; I465-W487 HydrophobicContact CG1-CH2 4.33Å; I465-W487 HydrophobicContact CG1-CZ3 3.66Å; I465-W487 HydrophobicContact CG2-CH2 4.49Å; I465-W487 HydrophobicContact CG2-CZ3 3.78Å; S467-W487 VanDerWaalsContact OG-CZ2 3.32Å; S467-W487 WeakPolarHBondContact OG-CZ2 3.5Å; L470-W487 HydrophobicContact CB-CH2 4.18Å; L470-W487 HydrophobicContact CB-CZ2 4.07Å; L470-W487 HydrophobicContact CD2-CH2 3.76Å; L470-W487 HydrophobicContact CD2-CZ2 4.03Å; L470-W487 HydrophobicContact CG-CH2 3.96Å; L470-W487 HydrophobicContact CG-CZ2 4.3Å; L472-W487 HydrophobicContact CD1-CZ3 4.34Å; H483-W487 WeakPolarHBondContact O-CA 3.44Å; H483-W487 PolarHBondContact O-N 3.32Å; H483-W487 VanDerWaalsContact O-N 3.09Å; I484-W487 WeakPolarHBondContact O-CB 3.41Å; I484-W487 PolarHBondContact O-N 2.87Å; R485-W487 PolarHBondContact O-N 3.08Å; W487-E489 VanDerWaalsContact C-N 3.3Å; W487-E489 PolarHBondContact O-N 3.37Å; W487-I490 HydrophobicContact CE3-CG2 4.41Å; W487-I490 HydrophobicContact CZ3-CG2 4.31Å; W487-I490 PolarHBondContact O-N 3.06Å; W487-F491 HydrophobicContact CZ2-CD2 4Å; W487-F491 WeakPolarHBondContact O-CB 3.49Å; W487-F491 PolarHBondContact O-N 2.93Å
488P91.9Very high92.1Very high57 Ų5753.2 Ų53.237%0.3727%0.269SS..Hα-helixtrans-59.1-39.8177.5-2536.2000113.5T492 P499P488-T492 WeakPolarHBondContact O-CB 3.44Å; P488-T492 PolarHBondContact O-N 3.29Å; P488-T492 PolarHBondContact O-OG1 3.28Å; P488-P499 HydrophobicContact CB-CB 4.11Å
489E91.1Very high91.7Very high118 Ų11852.4 Ų52.455%0.55127%0.268SS*.Hα-helixtrans-67.3-51.2177.3-65.773.7-163.800110.5D486 W487 F491 T492 E493D486-E489 VanDerWaalsContact C-OE2 3.23Å; D486-E489 VanDerWaalsContact CA-OE2 3.27Å; D486-E489 WeakPolarHBondContact CA-OE2 3.31Å; D486-E489 PolarHBondContact O-N 2.98Å; W487-E489 VanDerWaalsContact C-N 3.3Å; W487-E489 PolarHBondContact O-N 3.37Å; E489-F491 VanDerWaalsContact C-N 3.26Å; E489-F491 PolarHBondContact O-N 3.16Å; E489-T492 PolarHBondContact O-N 2.97Å; E489-E493 WeakPolarHBondContact O-CB 3.48Å; E489-E493 PolarHBondContact O-N 2.9Å
490I90.5Very high91.3Very high26 Ų2658 Ų5813%0.13330%0.296CS..Hα-helixtrans-56.6-43.8177.1-68166.2000110.5L472 H483 D486 W487 E493 L494L472-I490 HydrophobicContact CD1-CG2 3.98Å; H483-I490 HydrophobicContact CB-CD1 4.03Å; D486-I490 HydrophobicContact CB-CD1 4.44Å; D486-I490 VanDerWaalsContact O-CG1 3.27Å; D486-I490 WeakPolarHBondContact O-CG1 2.98Å; D486-I490 PolarHBondContact O-N 3.22Å; W487-I490 HydrophobicContact CE3-CG2 4.41Å; W487-I490 HydrophobicContact CZ3-CG2 4.31Å; W487-I490 PolarHBondContact O-N 3.06Å; I490-E493 PolarHBondContact O-N 3.1Å; I490-L494 HydrophobicContact CG2-CD1 3.79Å; I490-L494 WeakPolarHBondContact O-CB 3.23Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 3.41Å
491F90.9Very high91Very high0 Ų067.5 Ų67.50%033%0.331CS..Hα-helixtrans-68.5-37.5-178.1-164.8-98.1000112.1L470 W487 E489 T495 L497 P499 E502L470-F491 HydrophobicContact CB-CD2 4.07Å; L470-F491 HydrophobicContact CB-CE2 3.83Å; L470-F491 HydrophobicContact CD2-CD2 3.84Å; L470-F491 HydrophobicContact CD2-CE2 4.37Å; W487-F491 HydrophobicContact CZ2-CD2 4Å; W487-F491 WeakPolarHBondContact O-CB 3.49Å; W487-F491 PolarHBondContact O-N 2.93Å; E489-F491 VanDerWaalsContact C-N 3.26Å; E489-F491 PolarHBondContact O-N 3.16Å; F491-T495 WeakPolarHBondContact CD1-OG1 3.25Å; F491-T495 HydrophobicContact CD2-CG2 4.06Å; F491-T495 WeakPolarHBondContact CE1-OG1 3.32Å; F491-T495 HydrophobicContact CE2-CG2 3.91Å; F491-T495 HydrophobicContact CG-CG2 4.41Å; F491-T495 HydrophobicContact CZ-CG2 4.13Å; F491-T495 WeakPolarHBondContact O-CA 3.46Å; F491-T495 VanDerWaalsContact O-CB 3.31Å; F491-T495 WeakPolarHBondContact O-CB 3.44Å; F491-T495 PolarHBondContact O-N 3.04Å; F491-T495 PolarHBondContact O-OG1 3.07Å; F491-L497 HydrophobicContact CE1-CB 3.35Å; F491-L497 WeakPolarHBondContact CE1-O 3.38Å; F491-L497 HydrophobicContact CZ-CB 3.52Å; F491-L497 HydrophobicContact CZ-CD1 3.96Å; F491-L497 HydrophobicContact CZ-CG 4.34Å; F491-P499 HydrophobicContact CB-CB 4.48Å; F491-P499 HydrophobicContact CD1-CB 4.04Å; F491-P499 HydrophobicContact CD1-CG 4.04Å; F491-E502 HydrophobicContact CD1-CG 4.48Å; F491-E502 HydrophobicContact CD2-CG 4.39Å; F491-E502 HydrophobicContact CE1-CG 3.77Å; F491-E502 HydrophobicContact CE2-CB 4.29Å; F491-E502 HydrophobicContact CE2-CG 3.71Å; F491-E502 HydrophobicContact CZ-CB 4.33Å; F491-E502 HydrophobicContact CZ-CG 3.39Å
492T92Very high90.8Very high75 Ų7566.9 Ų66.946%0.4633%0.327SS..Hα-helixtrans-69.3-37.8175.2-58.60000112.1P488 E489 T495 P499 K713P488-T492 WeakPolarHBondContact O-CB 3.44Å; P488-T492 PolarHBondContact O-N 3.29Å; P488-T492 PolarHBondContact O-OG1 3.28Å; E489-T492 PolarHBondContact O-N 2.97Å; T492-T495 VanDerWaalsContact O-O 3.07Å; T492-P499 WeakPolarHBondContact OG1-CG 3.38Å; T492-K713 PolarHBondContact O-NZ 2.98Å
493E90.8Very high90.7Very high128 Ų12870.6 Ų70.660%0.59835%0.353SS*.Hα-helixtrans-66-44.4176.6-172.4-176.6167.400111.2E489 I490 K713E489-E493 WeakPolarHBondContact O-CB 3.48Å; E489-E493 PolarHBondContact O-N 2.9Å; I490-E493 PolarHBondContact O-N 3.1Å; E493-K713 WeakPolarHBondContact O-CB 3.14Å; E493-K713 WeakPolarHBondContact O-CD 3.44Å
494L91.3Very high90.8Very high21 Ų2169.1 Ų69.111%0.1135%0.348CS..Hα-helixtrans-95.3-12-171.9-62.4177.8000114.5L470 L472 I490 K713 Q714 L717L470-L494 HydrophobicContact CD2-CB 4.32Å; L470-L494 HydrophobicContact CD2-CD1 4.25Å; L472-L494 HydrophobicContact CD1-CD1 3.74Å; L472-L494 HydrophobicContact CD2-CD1 4.29Å; I490-L494 HydrophobicContact CG2-CD1 3.79Å; I490-L494 WeakPolarHBondContact O-CB 3.23Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 3.41Å; L494-K713 WeakPolarHBondContact O-CB 3.31Å; L494-Q714 HydrophobicContact CB-CG 4.09Å; L494-Q714 HydrophobicContact CD2-CG 4.46Å; L494-Q714 WeakPolarHBondContact O-CG 3.22Å; L494-Q714 PolarHBondContact O-NE2 3.43Å; L494-L717 HydrophobicContact CD1-CD1 3.86Å; L494-L717 HydrophobicContact CD2-CD1 3.78Å; L494-L717 HydrophobicContact CD2-CG 4.42Å; L494-L717 HydrophobicContact CG-CD1 4.48Å
495T90.9Very high90.9Very high8 Ų870.2 Ų70.25%0.04935%0.352CS..  trans-139.2175.1-176.287.80000112.4L470 F491 T492 L497 K713L470-T495 HydrophobicContact CD2-CG2 4.1Å; F491-T495 WeakPolarHBondContact CD1-OG1 3.25Å; F491-T495 HydrophobicContact CD2-CG2 4.06Å; F491-T495 WeakPolarHBondContact CE1-OG1 3.32Å; F491-T495 HydrophobicContact CE2-CG2 3.91Å; F491-T495 HydrophobicContact CG-CG2 4.41Å; F491-T495 HydrophobicContact CZ-CG2 4.13Å; F491-T495 WeakPolarHBondContact O-CA 3.46Å; F491-T495 VanDerWaalsContact O-CB 3.31Å; F491-T495 WeakPolarHBondContact O-CB 3.44Å; F491-T495 PolarHBondContact O-N 3.04Å; F491-T495 PolarHBondContact O-OG1 3.07Å; T492-T495 VanDerWaalsContact O-O 3.07Å; T495-L497 PolarHBondContact OG1-N 3.09Å; T495-K713 WeakPolarHBondContact O-CD 3.48Å; T495-K713 PolarHBondContact O-NZ 3.42Å
496N87.6Confident91.3Very high136 Ų13667.8 Ų67.873%0.72734%0.343SS*.SBendtrans-116.319.2171.1-64.6-35.5000111.2K713N496-K713 WeakPolarHBondContact OD1-CD 3.35Å; N496-K713 WeakPolarHBondContact OD1-CE 3.48Å; N496-K713 PolarHBondContact OD1-NZ 3.38Å
497L87.1Confident91.6Very high85 Ų8566.7 Ų66.745%0.44534%0.336SS..SBendtrans-93.8160.8-178.9-65.9177000109.6N469 F491 T495 P499N469-L497 HydrophobicContact CB-CD1 3.69Å; F491-L497 HydrophobicContact CE1-CB 3.35Å; F491-L497 WeakPolarHBondContact CE1-O 3.38Å; F491-L497 HydrophobicContact CZ-CB 3.52Å; F491-L497 HydrophobicContact CZ-CD1 3.96Å; F491-L497 HydrophobicContact CZ-CG 4.34Å; T495-L497 PolarHBondContact OG1-N 3.09Å; L497-P499 VanDerWaalsContact O-CD 3.3Å; L497-P499 WeakPolarHBondContact O-CD 3.45Å
498D86.8Confident91.8Very high67 Ų6766.6 Ų66.636%0.35834%0.336SS..  trans-72.8115.2179177.98.8000110.6Q500 R501D498-Q500 PolarHBondContact O-N 3.16Å; D498-Q500 WeakPolarHBondContact OD1-CB 3.12Å; D498-Q500 PolarHBondContact OD1-N 2.81Å; D498-R501 HydrophobicContact CB-CG 4.43Å; D498-R501 PolarHBondContact O-N 3.21Å; D498-R501 IonicContact OD2-NE 3.8Å; D498-R501 PolarHBondContact OD2-NE 3.18Å
499P87.3Confident92.2Very high31 Ų3164.7 Ų64.720%0.20132%0.321CS..G310 helixtrans-63.1-23.9-179-17.228.6000113.6P488 F491 T492 L497 R501 E502P488-P499 HydrophobicContact CB-CB 4.11Å; F491-P499 HydrophobicContact CB-CB 4.48Å; F491-P499 HydrophobicContact CD1-CB 4.04Å; F491-P499 HydrophobicContact CD1-CG 4.04Å; T492-P499 WeakPolarHBondContact OG1-CG 3.38Å; L497-P499 VanDerWaalsContact O-CD 3.3Å; L497-P499 WeakPolarHBondContact O-CD 3.45Å; P499-R501 PolarHBondContact O-N 3.02Å; P499-E502 PolarHBondContact O-N 3.28Å
500Q87.8Confident92.5Very high180 Ų18059.6 Ų59.684%0.84130%0.297SS*.G310 helixtrans-68.2-19.9-177.1-63.4-171.9-4.100113.4D498D498-Q500 PolarHBondContact O-N 3.16Å; D498-Q500 WeakPolarHBondContact OD1-CB 3.12Å; D498-Q500 PolarHBondContact OD1-N 2.81Å
501R89.9Confident92.9Very high198 Ų19859 Ų5975%0.74729%0.294SS*.G310 helixtrans-90.2-3.9179.5-60.8-176.3-174-155.6-4.5113.1D498 P499D498-R501 HydrophobicContact CB-CG 4.43Å; D498-R501 PolarHBondContact O-N 3.21Å; D498-R501 IonicContact OD2-NE 3.8Å; D498-R501 PolarHBondContact OD2-NE 3.18Å; P499-R501 PolarHBondContact O-N 3.02Å
502E90.9Very high93.2Very high18 Ų1859.3 Ų59.38%0.08430%0.296CS..  trans-114.5118.7-169.9-63.6-75.2162.700110.3S467 E468 N469 F491 P499S467-E502 WeakPolarHBondContact CB-OE2 3.49Å; S467-E502 PolarHBondContact OG-OE2 3.33Å; E468-E502 PolarHBondContact N-OE2 3.07Å; N469-E502 PolarHBondContact N-OE2 3.17Å; N469-E502 PolarHBondContact ND2-OE1 2.72Å; F491-E502 HydrophobicContact CD1-CG 4.48Å; F491-E502 HydrophobicContact CD2-CG 4.39Å; F491-E502 HydrophobicContact CE1-CG 3.77Å; F491-E502 HydrophobicContact CE2-CB 4.29Å; F491-E502 HydrophobicContact CE2-CG 3.71Å; F491-E502 HydrophobicContact CZ-CB 4.33Å; F491-E502 HydrophobicContact CZ-CG 3.39Å; P499-E502 PolarHBondContact O-N 3.28Å
503T93.1Very high93.4Very high118 Ų11859.3 Ų59.372%0.72429%0.287SS*.  trans-107115.9175.9-28.30000109
504S95.3Very high93.6Very high16 Ų1653.7 Ų53.711%0.11226%0.262CS..  trans-81.6139.4178.662.20000112.2C466C466-S504 CarbonylContact O-C 3.53Å; C466-S504 WeakPolarHBondContact O-CA 3.46Å
505Q97.7Very high93.9Very high80 Ų8054.6 Ų54.637%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-133.5159.1172.7-63.4175.6-41.500110.2Y425 C466 F507Y425-Q505 HydrophobicContact CD2-CB 4.17Å; Y425-Q505 HydrophobicContact CE2-CB 4.38Å; Y425-Q505 HydrophobicContact CE2-CG 4.43Å; C466-Q505 PolarHBondContact N-O 2.89Å; C466-Q505 PolarHBondContact O-N 2.96Å; Q505-F507 HydrophobicContact CB-CD2 4.37Å; Q505-F507 HydrophobicContact CB-CE2 3.68Å; Q505-F507 HydrophobicContact CB-CZ 4.3Å
506L98.6Very high94.1Very high4 Ų454.8 Ų54.82%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-92.4135.4176.8-57.1-178.8000110.6I424 Y425 I463 W464 I465 P480 I484I424-L506 HydrophobicContact CD1-CB 3.74Å; I424-L506 HydrophobicContact CD1-CD1 3.75Å; I424-L506 HydrophobicContact CD1-CG 4.4Å; Y425-L506 PolarHBondContact N-O 3.46Å; I463-L506 HydrophobicContact CG2-CB 4.28Å; I463-L506 HydrophobicContact CG2-CD2 4.33Å; W464-L506 CarbonylContact O-C 3.52Å; W464-L506 WeakPolarHBondContact O-CA 3.34Å; I465-L506 HydrophobicContact CB-CD2 4.2Å; I465-L506 HydrophobicContact CG1-CD2 4.34Å; P480-L506 HydrophobicContact CB-CD1 3.7Å; P480-L506 HydrophobicContact CB-CD2 3.66Å; P480-L506 HydrophobicContact CB-CG 4.35Å; I484-L506 HydrophobicContact CD1-CD1 4.16Å; I484-L506 HydrophobicContact CD1-CD2 3.9Å; I484-L506 HydrophobicContact CD1-CG 3.81Å; I484-L506 HydrophobicContact CG1-CD2 4.21Å
507F98.6Very high94.5Very high28 Ų2853.9 Ų53.912%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-127.7140.3179.8-69.7-99.2000111.9Y425 M427 I463 W464 C466 Q505 R509Y425-F507 VanDerWaalsContact CB-CE1 3.45Å; Y425-F507 HydrophobicContact CG-CE1 4.37Å; Y425-F507 CarbonylContact O-C 3.54Å; Y425-F507 WeakPolarHBondContact O-CA 3.24Å; M427-F507 HydrophobicContact SD-CD1 3.86Å; M427-F507 HydrophobicContact SD-CE1 4.31Å; I463-F507 CarbonylContact C-O 3.47Å; I463-F507 WeakPolarHBondContact CA-O 3.37Å; W464-F507 PolarHBondContact N-O 2.97Å; W464-F507 PolarHBondContact O-N 3.23Å; C466-F507 HydrophobicContact CB-CD2 3.56Å; C466-F507 HydrophobicContact CB-CE2 3.68Å; Q505-F507 HydrophobicContact CB-CD2 4.37Å; Q505-F507 HydrophobicContact CB-CE2 3.68Å; Q505-F507 HydrophobicContact CB-CZ 4.3Å; F507-R509 HydrophobicContact CB-CG 3.69Å
508L98.6Very high94.9Very high4 Ų453.5 Ų53.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-83.1114.8161.4-177.474000108.1I424 Y425 M448 M451 L453 F461 I463 I530I424-L508 HydrophobicContact CG2-CB 4.02Å; Y425-L508 PolarHBondContact O-N 3.42Å; M448-L508 HydrophobicContact CE-CD1 3.77Å; M448-L508 HydrophobicContact SD-CD1 3.66Å; M451-L508 HydrophobicContact CE-CB 4.13Å; M451-L508 HydrophobicContact CE-CD1 4.45Å; M451-L508 HydrophobicContact CE-CD2 3.81Å; M451-L508 HydrophobicContact CE-CG 4.35Å; L453-L508 HydrophobicContact CD1-CD1 4.38Å; L453-L508 HydrophobicContact CD1-CD2 3.99Å; F461-L508 HydrophobicContact CB-CD1 3.56Å; F461-L508 HydrophobicContact CB-CG 3.95Å; F461-L508 HydrophobicContact CG-CD1 4.43Å; F461-L508 HydrophobicContact CG-CG 4.37Å; I463-L508 HydrophobicContact CD1-CD1 4.37Å; L508-I530 HydrophobicContact CD2-CD1 4.09Å
509R98.6Very high95.4Very high17 Ų1750.4 Ų50.46%0.06424%0.242CC..EExtended strand (participates in β ladder)trans-137.7162.6-178-56.5-179.562.3174.5-1.5111.2M427 F461 T462 W464 S471 F507 D511 E534M427-R509 HydrophobicContact SD-CG 4.05Å; F461-R509 VanDerWaalsContact CA-O 3.28Å; F461-R509 WeakPolarHBondContact CA-O 3.44Å; T462-R509 PolarHBondContact N-O 3.01Å; T462-R509 PolarHBondContact O-N 3.35Å; T462-R509 VanDerWaalsContact O-N 3.11Å; W464-R509 HydrophobicContact CB-CG 4.36Å; W464-R509 HydrophobicContact CD2-CB 4.33Å; W464-R509 HydrophobicContact CG-CB 3.97Å; W464-R509 HydrophobicContact CG-CG 4.19Å; S471-R509 PolarHBondContact OG-NH1 3Å; F507-R509 HydrophobicContact CB-CG 3.69Å; R509-D511 PolarHBondContact O-N 3.29Å; R509-E534 WeakPolarHBondContact CA-OE2 3.39Å; R509-E534 WeakPolarHBondContact CB-OE2 3.34Å; R509-E534 IonicContact CZ-OE1 3.56Å; R509-E534 IonicContact NE-OE1 2.81Å; R509-E534 PolarHBondContact NE-OE1 3.02Å; R509-E534 IonicContact NH2-OE1 2.73Å; R509-E534 PolarHBondContact NH2-OE1 3.03Å
510R98.6Very high95.9Very high11 Ų1152.8 Ų52.84%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-50.1131.3175-174.5-176.5179.2-72.50.4109.9W464 V512 L514 E519 L531 E534W464-R510 WeakPolarHBondContact CZ2-O 3.43Å; W464-R510 PolarHBondContact NE1-O 3.34Å; R510-V512 PolarHBondContact O-N 2.8Å; R510-L514 HydrophobicContact CG-CD2 4.15Å; R510-L514 PolarHBondContact NH2-O 3.11Å; R510-E519 IonicContact CZ-OE2 3.34Å; R510-E519 IonicContact NE-OE1 2.89Å; R510-E519 PolarHBondContact NE-OE1 2.86Å; R510-E519 IonicContact NE-OE2 2.75Å; R510-E519 PolarHBondContact NE-OE2 2.89Å; R510-E519 IonicContact NH2-OE2 3.01Å; R510-E519 PolarHBondContact NH2-OE2 3.11Å; R510-L531 HydrophobicContact CB-CD2 3.94Å; R510-L531 HydrophobicContact CG-CD2 3.76Å; R510-E534 WeakPolarHBondContact CB-OE2 3.05Å; R510-E534 PolarHBondContact N-OE2 3.07Å
511D98.3Very high96.4Very high15 Ų1552 Ų528%0.0824%0.243CC..  trans-65.8123.3169.9-168.3-32.8000108.4Y460 T462 Q473 R509 R513 L514Y460-D511 PolarHBondContact O-N 3.02Å; T462-D511 HydrophobicContact CG2-CB 4.44Å; Q473-D511 PolarHBondContact NE2-OD1 3.46Å; Q473-D511 PolarHBondContact OE1-OD1 2.96Å; R509-D511 PolarHBondContact O-N 3.29Å; D511-R513 PolarHBondContact O-N 2.99Å; D511-R513 VanDerWaalsContact OD1-CB 3.24Å; D511-R513 WeakPolarHBondContact OD1-CB 3.24Å; D511-R513 WeakPolarHBondContact OD1-CG 3.26Å; D511-R513 IonicContact OD1-CZ 3.16Å; D511-R513 PolarHBondContact OD1-N 3.17Å; D511-R513 IonicContact OD1-NE 2.71Å; D511-R513 PolarHBondContact OD1-NE 2.85Å; D511-R513 IonicContact OD1-NH2 2.72Å; D511-R513 IonicContact OD2-CZ 2.59Å; D511-R513 VanDerWaalsContact OD2-CZ 3.3Å; D511-R513 IonicContact OD2-NE 2.66Å; D511-R513 PolarHBondContact OD2-NE 3.15Å; D511-R513 VanDerWaalsContact OD2-NE 3.17Å; D511-R513 IonicContact OD2-NH2 3.13Å; D511-R513 PolarHBondContact OD2-NH2 2.91Å; D511-L514 WeakPolarHBondContact O-CB 3.48Å; D511-L514 PolarHBondContact O-N 3.05Å
512V97.3Very high96.7Very high6 Ų642.8 Ų42.84%0.03621%0.208CC..THydrogen-bonded Turntrans-57.9-23.6179.173.20000112.2W464 Q473 R510 A638 L721 L725W464-V512 HydrophobicContact CH2-CB 4.48Å; W464-V512 HydrophobicContact CZ2-CB 4.28Å; Q473-V512 VanDerWaalsContact OE1-CG1 3.29Å; R510-V512 PolarHBondContact O-N 2.8Å; V512-A638 HydrophobicContact CG2-CB 3.91Å; V512-L721 HydrophobicContact CG1-CD1 3.7Å; V512-L721 HydrophobicContact CG2-CD1 4.46Å; V512-L721 HydrophobicContact CG2-CD2 4.2Å; V512-L725 HydrophobicContact CG2-CD1 4.28Å
513R95.8Very high96.9Very high74 Ų7448.3 Ų48.328%0.27923%0.234SC..THydrogen-bonded Turntrans-83.9-6.5178.9-55.3173.7-65.9168.2-9114D511 P515 L725 Q728D511-R513 PolarHBondContact O-N 2.99Å; D511-R513 VanDerWaalsContact OD1-CB 3.24Å; D511-R513 WeakPolarHBondContact OD1-CB 3.24Å; D511-R513 WeakPolarHBondContact OD1-CG 3.26Å; D511-R513 IonicContact OD1-CZ 3.16Å; D511-R513 PolarHBondContact OD1-N 3.17Å; D511-R513 IonicContact OD1-NE 2.71Å; D511-R513 PolarHBondContact OD1-NE 2.85Å; D511-R513 IonicContact OD1-NH2 2.72Å; D511-R513 IonicContact OD2-CZ 2.59Å; D511-R513 VanDerWaalsContact OD2-CZ 3.3Å; D511-R513 IonicContact OD2-NE 2.66Å; D511-R513 PolarHBondContact OD2-NE 3.15Å; D511-R513 VanDerWaalsContact OD2-NE 3.17Å; D511-R513 IonicContact OD2-NH2 3.13Å; D511-R513 PolarHBondContact OD2-NH2 2.91Å; R513-P515 WeakPolarHBondContact O-CD 3.45Å; R513-L725 HydrophobicContact CB-CD2 4.24Å; R513-L725 HydrophobicContact CG-CD2 4.03Å; R513-Q728 PolarHBondContact O-OE1 3.02Å
514L96.4Very high97.1Very high10 Ų1044.1 Ų44.15%0.05221%0.207CC..  trans-62.4114.3-179.6175.860.7000109.6Y460 R510 D511 I518 E519 V664Y460-L514 HydrophobicContact CD1-CD1 3.71Å; Y460-L514 HydrophobicContact CD1-CD2 4.02Å; Y460-L514 HydrophobicContact CE1-CD1 4.38Å; Y460-L514 HydrophobicContact CG-CD2 4.41Å; R510-L514 HydrophobicContact CG-CD2 4.15Å; R510-L514 PolarHBondContact NH2-O 3.11Å; D511-L514 WeakPolarHBondContact O-CB 3.48Å; D511-L514 PolarHBondContact O-N 3.05Å; L514-I518 HydrophobicContact CD1-CB 4.27Å; L514-I518 HydrophobicContact CD1-CG2 4.07Å; L514-E519 HydrophobicContact CD2-CB 4.09Å; L514-E519 HydrophobicContact CD2-CG 4.23Å; L514-E519 HydrophobicContact CG-CB 4.29Å; L514-V664 WeakPolarHBondContact O-CG1 3.25Å
515P96.3Very high97.2Very high40 Ų4046.7 Ų46.726%0.2622%0.223SC..  trans-63.9141.9176.3-20.834.3000111.1R513 E517 I518 E519R513-P515 WeakPolarHBondContact O-CD 3.45Å; P515-E517 PolarHBondContact O-N 3.01Å; P515-I518 HydrophobicContact CB-CD1 4.28Å; P515-I518 HydrophobicContact CB-CG1 4.15Å; P515-I518 HydrophobicContact CG-CD1 3.86Å; P515-I518 HydrophobicContact CG-CG1 4.28Å; P515-I518 PolarHBondContact O-N 2.93Å; P515-E519 PolarHBondContact O-N 3.09Å; P515-E519 VanDerWaalsContact O-N 3.12Å
516L95.6Very high97.1Very high13 Ų1346.2 Ų46.27%0.06822%0.223CC..Hα-helixtrans-67.9-28.5-176.5-16962.9000111.7I518 E519 K520 W630 Y635 V664L516-I518 VanDerWaalsContact C-N 3.32Å; L516-E519 PolarHBondContact O-N 2.92Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 VanDerWaalsContact O-CG 3.25Å; L516-K520 WeakPolarHBondContact O-CG 3.49Å; L516-K520 PolarHBondContact O-N 3.44Å; L516-W630 HydrophobicContact CD1-CB 4.09Å; L516-W630 HydrophobicContact CD1-CG 3.83Å; L516-W630 HydrophobicContact CD2-CB 4.43Å; L516-Y635 HydrophobicContact CD1-CD1 3.96Å; L516-Y635 HydrophobicContact CD1-CE1 3.81Å; L516-V664 HydrophobicContact CB-CG2 4.4Å
517E95.3Very high97.1Very high116 Ų11646 Ų4654%0.54222%0.222SC..Hα-helixtrans-68-33178-61.466.7-143.900111.8P515P515-E517 PolarHBondContact O-N 3.01Å
518I96.4Very high97.1Very high78 Ų7844.8 Ų44.840%0.422%0.217SC..Hα-helixtrans-74.9-46.5174.1-62.2-175.4000109Y460 L514 P515 L516 K520 K521Y460-I518 HydrophobicContact CE1-CG2 4.03Å; L514-I518 HydrophobicContact CD1-CB 4.27Å; L514-I518 HydrophobicContact CD1-CG2 4.07Å; P515-I518 HydrophobicContact CB-CD1 4.28Å; P515-I518 HydrophobicContact CB-CG1 4.15Å; P515-I518 HydrophobicContact CG-CD1 3.86Å; P515-I518 HydrophobicContact CG-CG1 4.28Å; P515-I518 PolarHBondContact O-N 2.93Å; L516-I518 VanDerWaalsContact C-N 3.32Å; I518-K520 VanDerWaalsContact C-N 3.27Å; I518-K520 PolarHBondContact O-N 3.09Å; I518-K521 PolarHBondContact O-N 2.84Å
519E97.7Very high97.1Very high2 Ų247.2 Ų47.21%0.00923%0.23CC..Hα-helixtrans-60.2-35.1179.4-173.4165.6-163.900113.4R510 L514 P515 L516 K521 I522 L531 W630 Y635R510-E519 IonicContact CZ-OE2 3.34Å; R510-E519 IonicContact NE-OE1 2.89Å; R510-E519 PolarHBondContact NE-OE1 2.86Å; R510-E519 IonicContact NE-OE2 2.75Å; R510-E519 PolarHBondContact NE-OE2 2.89Å; R510-E519 IonicContact NH2-OE2 3.01Å; R510-E519 PolarHBondContact NH2-OE2 3.11Å; L514-E519 HydrophobicContact CD2-CB 4.09Å; L514-E519 HydrophobicContact CD2-CG 4.23Å; L514-E519 HydrophobicContact CG-CB 4.29Å; P515-E519 PolarHBondContact O-N 3.09Å; P515-E519 VanDerWaalsContact O-N 3.12Å; L516-E519 PolarHBondContact O-N 2.92Å; E519-K521 PolarHBondContact O-N 2.81Å; E519-I522 HydrophobicContact CB-CD1 4.32Å; E519-I522 HydrophobicContact CG-CD1 3.98Å; E519-I522 WeakPolarHBondContact O-CB 3.5Å; E519-I522 VanDerWaalsContact O-CG1 3.3Å; E519-I522 WeakPolarHBondContact O-CG1 3.38Å; E519-I522 PolarHBondContact O-N 2.89Å; E519-L531 HydrophobicContact CG-CD1 4.11Å; E519-L531 WeakPolarHBondContact OE1-CD1 3.21Å; E519-L531 WeakPolarHBondContact OE1-CD2 3.41Å; E519-W630 HydrophobicContact CG-CZ2 4.34Å; E519-Y635 PolarHBondContact OE1-OH 3.13Å; E519-Y635 WeakPolarHBondContact OE2-CE1 3.39Å
520K97.6Very high97Very high80 Ų8046.8 Ų46.835%0.34823%0.228SC..THydrogen-bonded Turntrans-58.8-26.6175.3-82.6172.8174.7-1740113.7L516 I518 R623 W630 E631L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 VanDerWaalsContact O-CG 3.25Å; L516-K520 WeakPolarHBondContact O-CG 3.49Å; L516-K520 PolarHBondContact O-N 3.44Å; I518-K520 VanDerWaalsContact C-N 3.27Å; I518-K520 PolarHBondContact O-N 3.09Å; K520-R623 PolarHBondContact O-NH2 2.89Å; K520-W630 HydrophobicContact CB-CH2 4.33Å; K520-W630 HydrophobicContact CB-CZ3 4.14Å; K520-W630 HydrophobicContact CD-CE3 4.32Å; K520-W630 HydrophobicContact CG-CD2 4.03Å; K520-W630 HydrophobicContact CG-CE3 3.5Å; K520-W630 HydrophobicContact CG-CH2 4.06Å; K520-W630 HydrophobicContact CG-CZ2 4.49Å; K520-W630 HydrophobicContact CG-CZ3 3.52Å; K520-E631 IonicContact NZ-OE1 3.88Å
521K97.2Very high97Very high164 Ų16446.5 Ų46.571%0.71323%0.228SC*.THydrogen-bonded Turntrans-93.20.1-176.6-61.7177.3-175.6-179.10113.7I518 E519 E523I518-K521 PolarHBondContact O-N 2.84Å; E519-K521 PolarHBondContact O-N 2.81Å; K521-E523 PolarHBondContact O-N 3.48Å
522I96.9Very high97.1Very high5 Ų545.9 Ų45.93%0.02622%0.224CC..  trans-67.1132.4-178.5-61.3177.9000110.3Y460 E519 A527 I528 L531 R623Y460-I522 HydrophobicContact CD1-CD1 3.67Å; Y460-I522 HydrophobicContact CD1-CG1 4.31Å; Y460-I522 HydrophobicContact CD2-CD1 3.85Å; Y460-I522 HydrophobicContact CD2-CG1 4.48Å; Y460-I522 HydrophobicContact CE1-CD1 3.64Å; Y460-I522 HydrophobicContact CE1-CG1 3.75Å; Y460-I522 HydrophobicContact CE2-CD1 3.79Å; Y460-I522 HydrophobicContact CE2-CG1 3.91Å; Y460-I522 HydrophobicContact CE2-CG2 4.2Å; Y460-I522 HydrophobicContact CG-CD1 3.78Å; E519-I522 HydrophobicContact CB-CD1 4.32Å; E519-I522 HydrophobicContact CG-CD1 3.98Å; E519-I522 WeakPolarHBondContact O-CB 3.5Å; E519-I522 VanDerWaalsContact O-CG1 3.3Å; E519-I522 WeakPolarHBondContact O-CG1 3.38Å; E519-I522 PolarHBondContact O-N 2.89Å; I522-A527 HydrophobicContact CG2-CB 3.78Å; I522-I528 HydrophobicContact CG2-CG1 3.93Å; I522-L531 HydrophobicContact CD1-CD1 3.55Å; I522-R623 PolarHBondContact O-NE 3.17Å; I522-R623 PolarHBondContact O-NH2 3Å
523E95.4Very high97.1Very high133 Ų13346 Ų4662%0.62123%0.225SC*.  trans-123.1-18.8175.3-59.5-171.2162.300112.6K521 P525 R623K521-E523 PolarHBondContact O-N 3.48Å; E523-P525 VanDerWaalsContact O-CD 3.31Å; E523-P525 WeakPolarHBondContact O-CD 3.46Å; E523-R623 IonicContact OE1-NH1 2.98Å
524D96.6Very high97.3Very high31 Ų3143.3 Ų43.317%0.16622%0.215CC..  trans-56.8117.8176.7173.146.4000112T457 L526 A527 I528T457-D524 PolarHBondContact OG1-OD2 2.8Å; D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 PolarHBondContact O-N 3.01Å; D524-A527 HydrophobicContact CB-CB 4.02Å; D524-A527 PolarHBondContact O-N 2.84Å; D524-A527 VanDerWaalsContact OD2-CB 3.25Å; D524-A527 WeakPolarHBondContact OD2-CB 3.39Å; D524-A527 PolarHBondContact OD2-N 2.84Å; D524-I528 WeakPolarHBondContact O-CG1 3.36Å; D524-I528 PolarHBondContact O-N 2.82Å
525P97.1Very high97.4Very high69 Ų6942.9 Ų42.945%0.44821%0.214SC..Hα-helixtrans-59.1-34-177.8-27.536.1000113.9E523 L529 H619E523-P525 VanDerWaalsContact O-CD 3.31Å; E523-P525 WeakPolarHBondContact O-CD 3.46Å; P525-L529 WeakPolarHBondContact O-CB 3.48Å; P525-L529 PolarHBondContact O-N 2.56Å; P525-H619 HydrophobicContact CB-CB 4Å
526L96.8Very high97.5Very high70 Ų7044 Ų4437%0.36621%0.213SC..Hα-helixtrans-72.1-44.8-179.7-179.759.3000111.3L453 T457 D524 I528 L529 I530L453-L526 HydrophobicContact CD2-CD2 3.89Å; T457-L526 HydrophobicContact CG2-CD2 4.28Å; T457-L526 HydrophobicContact CG2-CG 4.22Å; D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 PolarHBondContact O-N 3.01Å; L526-I528 VanDerWaalsContact C-N 3.33Å; L526-I528 PolarHBondContact O-N 2.75Å; L526-L529 PolarHBondContact O-N 3.41Å; L526-I530 HydrophobicContact CD1-CD1 4.05Å; L526-I530 HydrophobicContact CD1-CG1 4.29Å; L526-I530 HydrophobicContact CG-CD1 3.97Å; L526-I530 VanDerWaalsContact O-CG1 3.29Å; L526-I530 WeakPolarHBondContact O-CG1 3.5Å; L526-I530 PolarHBondContact O-N 2.85Å
527A97.9Very high97.6Very high0 Ų047.2 Ų47.20%022%0.224CC..Hα-helixtrans-59-45.5173.500000111.5T457 Y460 F461 I522 D524 L529 I530 L531T457-A527 HydrophobicContact CG2-CB 4.13Å; Y460-A527 HydrophobicContact CD2-CB 3.67Å; Y460-A527 HydrophobicContact CE2-CB 3.92Å; F461-A527 HydrophobicContact CE2-CB 4.14Å; F461-A527 HydrophobicContact CZ-CB 4.32Å; I522-A527 HydrophobicContact CG2-CB 3.78Å; D524-A527 HydrophobicContact CB-CB 4.02Å; D524-A527 PolarHBondContact O-N 2.84Å; D524-A527 VanDerWaalsContact OD2-CB 3.25Å; D524-A527 WeakPolarHBondContact OD2-CB 3.39Å; D524-A527 PolarHBondContact OD2-N 2.84Å; A527-L529 VanDerWaalsContact C-N 3.33Å; A527-L529 PolarHBondContact O-N 3.23Å; A527-I530 PolarHBondContact O-N 3.16Å; A527-L531 WeakPolarHBondContact O-CB 3.4Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.05Å
528I98.4Very high97.7Very high3 Ų342.2 Ų42.22%0.01520%0.201CC..Hα-helixtrans-58-46.9176.7-70.3167.5000110.7I522 D524 L526 L531 F532 H619 Q622 R623 L626I522-I528 HydrophobicContact CG2-CG1 3.93Å; D524-I528 WeakPolarHBondContact O-CG1 3.36Å; D524-I528 PolarHBondContact O-N 2.82Å; L526-I528 VanDerWaalsContact C-N 3.33Å; L526-I528 PolarHBondContact O-N 2.75Å; I528-L531 PolarHBondContact O-N 3.37Å; I528-F532 WeakPolarHBondContact O-CB 3.34Å; I528-F532 PolarHBondContact O-N 3.04Å; I528-H619 HydrophobicContact CD1-CB 4.38Å; I528-H619 HydrophobicContact CG2-CB 4.4Å; I528-H619 WeakPolarHBondContact CG2-O 3.3Å; I528-Q622 HydrophobicContact CG2-CB 3.58Å; I528-R623 HydrophobicContact CD1-CB 4.38Å; I528-R623 HydrophobicContact CG2-CB 4.33Å; I528-L626 HydrophobicContact CG2-CD1 4.28Å
529L98.1Very high97.8Very high55 Ų5538.5 Ų38.529%0.28818%0.182SC..Hα-helixtrans-60.4-47179174.668.6000112.1P525 L526 A527 F532 D533 Q622P525-L529 WeakPolarHBondContact O-CB 3.48Å; P525-L529 PolarHBondContact O-N 2.56Å; L526-L529 PolarHBondContact O-N 3.41Å; A527-L529 VanDerWaalsContact C-N 3.33Å; A527-L529 PolarHBondContact O-N 3.23Å; L529-F532 WeakPolarHBondContact O-CB 3.43Å; L529-F532 PolarHBondContact O-N 3.31Å; L529-D533 PolarHBondContact O-N 3.4Å; L529-Q622 VanDerWaalsContact CD1-NE2 3.28Å
530I98.1Very high97.7Very high7 Ų740.4 Ų40.44%0.03619%0.192CC..Hα-helixtrans-64.9-45.1-178.6-62.4162.8000110.7T457 F461 L508 L526 A527 F532 D533 E534T457-I530 HydrophobicContact CG2-CD1 4.45Å; F461-I530 HydrophobicContact CD1-CG2 3.83Å; F461-I530 HydrophobicContact CD2-CD1 4.43Å; F461-I530 HydrophobicContact CE1-CB 3.84Å; F461-I530 HydrophobicContact CE1-CG2 3.35Å; F461-I530 HydrophobicContact CE2-CB 4.22Å; F461-I530 HydrophobicContact CE2-CD1 3.96Å; F461-I530 HydrophobicContact CE2-CG2 4.28Å; F461-I530 HydrophobicContact CG-CG2 4.47Å; F461-I530 HydrophobicContact CZ-CB 3.57Å; F461-I530 HydrophobicContact CZ-CD1 4.21Å; F461-I530 HydrophobicContact CZ-CG1 4.49Å; F461-I530 HydrophobicContact CZ-CG2 3.62Å; L508-I530 HydrophobicContact CD2-CD1 4.09Å; L526-I530 HydrophobicContact CD1-CD1 4.05Å; L526-I530 HydrophobicContact CD1-CG1 4.29Å; L526-I530 HydrophobicContact CG-CD1 3.97Å; L526-I530 VanDerWaalsContact O-CG1 3.29Å; L526-I530 WeakPolarHBondContact O-CG1 3.5Å; L526-I530 PolarHBondContact O-N 2.85Å; A527-I530 PolarHBondContact O-N 3.16Å; I530-F532 VanDerWaalsContact C-N 3.34Å; I530-D533 PolarHBondContact O-N 3.01Å; I530-E534 PolarHBondContact O-N 3.37Å
531L98.7Very high97.7Very high5 Ų541.5 Ų41.53%0.02620%0.197CC..Hα-helixtrans-63.2-41175.9-71.5168.8000111.6F461 R510 E519 I522 A527 I528 E534 A535 L626F461-L531 HydrophobicContact CE1-CD2 3.64Å; F461-L531 HydrophobicContact CE1-CG 3.74Å; F461-L531 HydrophobicContact CZ-CD1 4.46Å; F461-L531 HydrophobicContact CZ-CD2 4.17Å; F461-L531 HydrophobicContact CZ-CG 3.79Å; R510-L531 HydrophobicContact CB-CD2 3.94Å; R510-L531 HydrophobicContact CG-CD2 3.76Å; E519-L531 HydrophobicContact CG-CD1 4.11Å; E519-L531 WeakPolarHBondContact OE1-CD1 3.21Å; E519-L531 WeakPolarHBondContact OE1-CD2 3.41Å; I522-L531 HydrophobicContact CD1-CD1 3.55Å; A527-L531 WeakPolarHBondContact O-CB 3.4Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.05Å; I528-L531 PolarHBondContact O-N 3.37Å; L531-E534 PolarHBondContact O-N 2.87Å; L531-A535 VanDerWaalsContact O-CB 3.31Å; L531-A535 WeakPolarHBondContact O-CB 3.16Å; L531-A535 PolarHBondContact O-N 2.92Å; L531-L626 HydrophobicContact CB-CD1 3.85Å; L531-L626 HydrophobicContact CB-CD2 4.1Å
532F98.7Very high97.6Very high3 Ų333.8 Ų33.81%0.01316%0.164CC..Hα-helixtrans-59.9-47.3176.7163.2-97.8000111.6I528 L529 I530 E534 A535 R536 L558 I561 Q622 F625I528-F532 WeakPolarHBondContact O-CB 3.34Å; I528-F532 PolarHBondContact O-N 3.04Å; L529-F532 WeakPolarHBondContact O-CB 3.43Å; L529-F532 PolarHBondContact O-N 3.31Å; I530-F532 VanDerWaalsContact C-N 3.34Å; F532-E534 VanDerWaalsContact C-N 3.34Å; F532-E534 PolarHBondContact O-N 3.37Å; F532-A535 PolarHBondContact O-N 3.48Å; F532-R536 VanDerWaalsContact O-CB 3.32Å; F532-R536 WeakPolarHBondContact O-CB 3.42Å; F532-R536 PolarHBondContact O-N 2.98Å; F532-L558 HydrophobicContact CE2-CD2 3.73Å; F532-L558 HydrophobicContact CZ-CD2 3.61Å; F532-I561 HydrophobicContact CD2-CD1 4.32Å; F532-I561 HydrophobicContact CE1-CG2 4.25Å; F532-I561 HydrophobicContact CE2-CD1 3.52Å; F532-I561 HydrophobicContact CZ-CD1 3.84Å; F532-I561 HydrophobicContact CZ-CG2 3.84Å; F532-Q622 HydrophobicContact CB-CB 4Å; F532-Q622 HydrophobicContact CB-CG 4.19Å; F532-Q622 HydrophobicContact CD1-CG 3.92Å; F532-Q622 HydrophobicContact CD2-CB 4.07Å; F532-Q622 HydrophobicContact CD2-CG 3.97Å; F532-Q622 HydrophobicContact CE1-CG 4.31Å; F532-Q622 HydrophobicContact CE2-CG 4.36Å; F532-Q622 HydrophobicContact CG-CB 3.96Å; F532-Q622 HydrophobicContact CG-CG 3.73Å; F532-F625 HydrophobicContact CD2-CB 4.05Å; F532-F625 AromaticContact CD2-CD1 3.57Å; F532-F625 HydrophobicContact CD2-CD1 3.57Å; F532-F625 HydrophobicContact CD2-CE1 4.18Å; F532-F625 AromaticContact CD2-CG 3.88Å; F532-F625 HydrophobicContact CD2-CG 3.88Å; F532-F625 HydrophobicContact CE2-CB 4.11Å; F532-F625 AromaticContact CE2-CD1 3.8Å; F532-F625 HydrophobicContact CE2-CD1 3.8Å; F532-F625 HydrophobicContact CE2-CD2 4.2Å; F532-F625 HydrophobicContact CE2-CE1 4.23Å; F532-F625 AromaticContact CE2-CG 3.77Å; F532-F625 HydrophobicContact CE2-CG 3.77Å
533D98.4Very high97.6Very high7 Ų734.9 Ų34.94%0.03717%0.169CC..Hα-helixtrans-62.7-41.6179.7-76.2-38.6000112.1R426 D428 L529 I530 R536 Y537R426-D533 IonicContact CZ-OD2 3.29Å; R426-D533 IonicContact NH2-OD2 2.81Å; R426-D533 PolarHBondContact NH2-OD2 3.32Å; D428-D533 HydrophobicContact CB-CB 4.26Å; L529-D533 PolarHBondContact O-N 3.4Å; I530-D533 PolarHBondContact O-N 3.01Å; D533-R536 PolarHBondContact O-N 3.38Å; D533-R536 IonicContact OD1-CZ 3.68Å; D533-R536 IonicContact OD1-NE 3.94Å; D533-R536 IonicContact OD1-NH2 3.01Å; D533-R536 PolarHBondContact OD1-NH2 2.98Å; D533-Y537 WeakPolarHBondContact O-CB 3.42Å; D533-Y537 PolarHBondContact O-N 2.87Å
534E98.6Very high97.7Very high18 Ų1828.9 Ų28.98%0.08414%0.141CC..Hα-helixtrans-66.5-40.7174.7179.3159.9-162.400112M427 R509 R510 I530 L531 F532 Y537 N538M427-E534 HydrophobicContact CB-CB 4.43Å; M427-E534 HydrophobicContact CG-CB 3.93Å; M427-E534 HydrophobicContact CG-CG 4.02Å; R509-E534 WeakPolarHBondContact CA-OE2 3.39Å; R509-E534 WeakPolarHBondContact CB-OE2 3.34Å; R509-E534 IonicContact CZ-OE1 3.56Å; R509-E534 IonicContact NE-OE1 2.81Å; R509-E534 PolarHBondContact NE-OE1 3.02Å; R509-E534 IonicContact NH2-OE1 2.73Å; R509-E534 PolarHBondContact NH2-OE1 3.03Å; R510-E534 WeakPolarHBondContact CB-OE2 3.05Å; R510-E534 PolarHBondContact N-OE2 3.07Å; I530-E534 PolarHBondContact O-N 3.37Å; L531-E534 PolarHBondContact O-N 2.87Å; F532-E534 VanDerWaalsContact C-N 3.34Å; F532-E534 PolarHBondContact O-N 3.37Å; E534-Y537 PolarHBondContact O-N 3.21Å; E534-N538 PolarHBondContact O-N 2.97Å; E534-N538 PolarHBondContact O-ND2 2.94Å
535A98.6Very high97.5Very high2 Ų229.7 Ų29.72%0.01715%0.147CC..Hα-helixtrans-64.6-42.3176.300000111.8L531 F532 N538 L539 Y544 F625 L626 Y635L531-A535 VanDerWaalsContact O-CB 3.31Å; L531-A535 WeakPolarHBondContact O-CB 3.16Å; L531-A535 PolarHBondContact O-N 2.92Å; F532-A535 PolarHBondContact O-N 3.48Å; A535-N538 PolarHBondContact O-N 3.04Å; A535-L539 WeakPolarHBondContact O-CB 3.31Å; A535-L539 PolarHBondContact O-N 3.45Å; A535-Y544 HydrophobicContact CB-CE2 4.21Å; A535-Y544 WeakPolarHBondContact O-CE2 3.27Å; A535-F625 HydrophobicContact CB-CD1 4.47Å; A535-F625 HydrophobicContact CB-CE1 3.91Å; A535-L626 HydrophobicContact CB-CD2 3.71Å; A535-Y635 HydrophobicContact CB-CE2 4.36Å
536R98.4Very high97.3Very high64 Ų6427.6 Ų27.624%0.24213%0.134CC..Hα-helixtrans-60.9-46.3173.9178.8174.262.6157.5-4.1110.9F532 D533 N538 L539 L540 L558 F625F532-R536 VanDerWaalsContact O-CB 3.32Å; F532-R536 WeakPolarHBondContact O-CB 3.42Å; F532-R536 PolarHBondContact O-N 2.98Å; D533-R536 PolarHBondContact O-N 3.38Å; D533-R536 IonicContact OD1-CZ 3.68Å; D533-R536 IonicContact OD1-NE 3.94Å; D533-R536 IonicContact OD1-NH2 3.01Å; D533-R536 PolarHBondContact OD1-NH2 2.98Å; R536-N538 PolarHBondContact O-N 3.12Å; R536-L539 WeakPolarHBondContact O-CB 3.07Å; R536-L539 PolarHBondContact O-N 3.43Å; R536-L540 HydrophobicContact CG-CD1 4.1Å; R536-L540 HydrophobicContact CG-CG 4.39Å; R536-L540 WeakPolarHBondContact O-CG 3.17Å; R536-L540 PolarHBondContact O-N 3.42Å; R536-L558 HydrophobicContact CG-CD1 4.46Å; R536-L558 HydrophobicContact CG-CD2 4.08Å; R536-F625 HydrophobicContact CB-CE1 4.5Å; R536-F625 HydrophobicContact CB-CZ 4.42Å
537Y97.9Very high97.2Very high79 Ų7928.8 Ų28.831%0.3115%0.146SC..Hα-helixtrans-55.6-49.6175.2175.1-89.6000111.8M427 D533 E534 L539 L540 K541M427-Y537 HydrophobicContact CB-CD2 4.4Å; M427-Y537 HydrophobicContact CB-CG 4.09Å; M427-Y537 HydrophobicContact CE-CD1 3.37Å; M427-Y537 HydrophobicContact CE-CD2 3.84Å; M427-Y537 HydrophobicContact CE-CE1 3.29Å; M427-Y537 HydrophobicContact CE-CE2 3.77Å; M427-Y537 HydrophobicContact CE-CG 3.65Å; D533-Y537 WeakPolarHBondContact O-CB 3.42Å; D533-Y537 PolarHBondContact O-N 2.87Å; E534-Y537 PolarHBondContact O-N 3.21Å; Y537-L539 VanDerWaalsContact C-N 3.33Å; Y537-L539 PolarHBondContact O-N 3.46Å; Y537-L540 PolarHBondContact O-N 3.14Å; Y537-K541 HydrophobicContact CD1-CG 4.28Å; Y537-K541 HydrophobicContact CD2-CG 4.4Å; Y537-K541 HydrophobicContact CE1-CG 3.88Å; Y537-K541 HydrophobicContact CE2-CD 4.44Å; Y537-K541 HydrophobicContact CE2-CG 4.01Å; Y537-K541 WeakPolarHBondContact O-CB 3.44Å; Y537-K541 WeakPolarHBondContact O-CG 3.39Å; Y537-K541 PolarHBondContact O-N 3.23Å
538N97.9Very high97.2Very high11 Ų1131 Ų316%0.05916%0.158CC..Hα-helixtrans-64.1-36.6179.6-77.3-67.4000112.8E534 A535 R536 G542 F543 Y544E534-N538 PolarHBondContact O-N 2.97Å; E534-N538 PolarHBondContact O-ND2 2.94Å; A535-N538 PolarHBondContact O-N 3.04Å; R536-N538 PolarHBondContact O-N 3.12Å; N538-G542 PolarHBondContact O-N 3.35Å; N538-F543 HydrophobicContact CB-CB 4.4Å; N538-F543 PolarHBondContact O-N 3.05Å; N538-Y544 HydrophobicContact CB-CD1 4.11Å; N538-Y544 HydrophobicContact CB-CD2 4.5Å; N538-Y544 HydrophobicContact CB-CE1 3.61Å; N538-Y544 HydrophobicContact CB-CE2 4.06Å
539L98.1Very high97.1Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-61.3-54.3173.3178.367.7000111.3A535 R536 Y537 K541 G542 Y544 L551 L554 L558 P586 F625A535-L539 WeakPolarHBondContact O-CB 3.31Å; A535-L539 PolarHBondContact O-N 3.45Å; R536-L539 WeakPolarHBondContact O-CB 3.07Å; R536-L539 PolarHBondContact O-N 3.43Å; Y537-L539 VanDerWaalsContact C-N 3.33Å; Y537-L539 PolarHBondContact O-N 3.46Å; L539-K541 VanDerWaalsContact C-N 3.32Å; L539-K541 PolarHBondContact O-N 3.43Å; L539-G542 WeakPolarHBondContact O-CA 3.29Å; L539-G542 PolarHBondContact O-N 3.18Å; L539-Y544 HydrophobicContact CB-CD2 4.02Å; L539-Y544 HydrophobicContact CD1-CD2 4.44Å; L539-L551 HydrophobicContact CD1-CD2 3.72Å; L539-L554 HydrophobicContact CD1-CD1 3.95Å; L539-L554 HydrophobicContact CD2-CB 4Å; L539-L554 HydrophobicContact CD2-CD1 4.2Å; L539-L558 HydrophobicContact CD2-CD1 4.07Å; L539-P586 HydrophobicContact CD1-CG 3.84Å; L539-P586 HydrophobicContact CG-CG 4.33Å; L539-P586 WeakPolarHBondContact O-CA 3.36Å; L539-P586 WeakPolarHBondContact O-CB 3.48Å; L539-P586 WeakPolarHBondContact O-CG 3.32Å; L539-F625 HydrophobicContact CD2-CE2 3.92Å; L539-F625 HydrophobicContact CD2-CZ 3.7Å
540L97.1Very high97Very high43 Ų4333.3 Ų33.323%0.22518%0.175CC..Hα-helixtrans-64.7-36.5-175.9-63.4-178.9000112.1R536 Y537 G542 S583 V585 I587R536-L540 HydrophobicContact CG-CD1 4.1Å; R536-L540 HydrophobicContact CG-CG 4.39Å; R536-L540 WeakPolarHBondContact O-CG 3.17Å; R536-L540 PolarHBondContact O-N 3.42Å; Y537-L540 PolarHBondContact O-N 3.14Å; L540-G542 PolarHBondContact O-N 3.03Å; L540-S583 WeakPolarHBondContact CD2-O 3.48Å; L540-V585 WeakPolarHBondContact CD2-O 3.32Å; L540-I587 WeakPolarHBondContact O-CB 3.42Å; L540-I587 WeakPolarHBondContact O-CG2 3.23Å; L540-I587 PolarHBondContact O-N 3.21Å
541K95.7Very high97Very high102 Ų10233.2 Ų33.244%0.44317%0.174SC..THydrogen-bonded Turntrans-72.5-8.9173.7-67.3-67.6-174.1172.90113.8Y537 L539 F543Y537-K541 HydrophobicContact CD1-CG 4.28Å; Y537-K541 HydrophobicContact CD2-CG 4.4Å; Y537-K541 HydrophobicContact CE1-CG 3.88Å; Y537-K541 HydrophobicContact CE2-CD 4.44Å; Y537-K541 HydrophobicContact CE2-CG 4.01Å; Y537-K541 WeakPolarHBondContact O-CB 3.44Å; Y537-K541 WeakPolarHBondContact O-CG 3.39Å; Y537-K541 PolarHBondContact O-N 3.23Å; L539-K541 VanDerWaalsContact C-N 3.32Å; L539-K541 PolarHBondContact O-N 3.43Å; K541-F543 HydrophobicContact CB-CD2 3.65Å; K541-F543 HydrophobicContact CB-CE2 3.69Å; K541-F543 HydrophobicContact CG-CE2 4.48Å
542G95.9Very high97Very high3 Ų333 Ų333%0.03117%0.173CC..THydrogen-bonded Turntrans83.515.4175.300000115.1N538 L539 L540 Y544 K675N538-G542 PolarHBondContact O-N 3.35Å; L539-G542 WeakPolarHBondContact O-CA 3.29Å; L539-G542 PolarHBondContact O-N 3.18Å; L540-G542 PolarHBondContact O-N 3.03Å; G542-Y544 PolarHBondContact O-N 3.16Å; G542-K675 WeakPolarHBondContact O-CB 3.47Å
543F96.8Very high96.9Very high27 Ų2734.7 Ų34.712%0.11818%0.184CC..  trans-73.1-17.8175.7-69.8-68.7000112.8N538 K541 T634 F639 Y659 L670 K675N538-F543 HydrophobicContact CB-CB 4.4Å; N538-F543 PolarHBondContact O-N 3.05Å; K541-F543 HydrophobicContact CB-CD2 3.65Å; K541-F543 HydrophobicContact CB-CE2 3.69Å; K541-F543 HydrophobicContact CG-CE2 4.48Å; F543-T634 PolarHBondContact O-OG1 3.42Å; F543-F639 HydrophobicContact CB-CE2 3.75Å; F543-F639 HydrophobicContact CB-CZ 3.8Å; F543-F639 HydrophobicContact CD1-CD1 4.25Å; F543-F639 AromaticContact CD1-CD2 3.92Å; F543-F639 HydrophobicContact CD1-CD2 3.92Å; F543-F639 HydrophobicContact CD1-CE1 4.02Å; F543-F639 AromaticContact CD1-CE2 3.67Å; F543-F639 HydrophobicContact CD1-CE2 3.67Å; F543-F639 HydrophobicContact CD1-CG 4.19Å; F543-F639 AromaticContact CD1-CZ 3.7Å; F543-F639 HydrophobicContact CD1-CZ 3.7Å; F543-F639 HydrophobicContact CE1-CD2 4.25Å; F543-F639 HydrophobicContact CE1-CE2 4.45Å; F543-F639 HydrophobicContact CE1-CG 4.28Å; F543-F639 HydrophobicContact CG-CD2 4.28Å; F543-F639 AromaticContact CG-CE2 3.78Å; F543-F639 HydrophobicContact CG-CE2 3.78Å; F543-F639 HydrophobicContact CG-CZ 4.05Å; F543-Y659 HydrophobicContact CE1-CD1 4.44Å; F543-Y659 HydrophobicContact CE1-CD2 4.12Å; F543-Y659 HydrophobicContact CE1-CE1 4.45Å; F543-Y659 HydrophobicContact CE1-CE2 4.14Å; F543-Y659 HydrophobicContact CE1-CG 4.27Å; F543-L670 HydrophobicContact CD1-CD1 4.08Å; F543-K675 HydrophobicContact CE1-CD 4.42Å
544Y97.4Very high96.9Very high8 Ų834.4 Ų34.43%0.03118%0.182CC..  trans-94.199.4175.9-71.8-2.9000111.2A535 N538 L539 G542 C629 I632 Y635A535-Y544 HydrophobicContact CB-CE2 4.21Å; A535-Y544 WeakPolarHBondContact O-CE2 3.27Å; N538-Y544 HydrophobicContact CB-CD1 4.11Å; N538-Y544 HydrophobicContact CB-CD2 4.5Å; N538-Y544 HydrophobicContact CB-CE1 3.61Å; N538-Y544 HydrophobicContact CB-CE2 4.06Å; L539-Y544 HydrophobicContact CB-CD2 4.02Å; L539-Y544 HydrophobicContact CD1-CD2 4.44Å; G542-Y544 PolarHBondContact O-N 3.16Å; Y544-C629 HydrophobicContact CE2-CB 4.14Å; Y544-I632 HydrophobicContact CD1-CG2 4.15Å; Y544-I632 HydrophobicContact CD2-CD1 3.85Å; Y544-I632 HydrophobicContact CG-CD1 3.98Å; Y544-I632 HydrophobicContact CG-CG2 4.08Å; Y544-Y635 HydrophobicContact CE1-CD2 4.44Å; Y544-Y635 HydrophobicContact CE2-CD2 4.28Å; Y544-Y635 AromaticContact CZ-CD2 3.77Å; Y544-Y635 VanDerWaalsContact OH-CD2 3.28Å; Y544-Y635 WeakPolarHBondContact OH-CD2 3.31Å
545T92.4Very high96.9Very high48 Ų4833.5 Ų33.529%0.29418%0.178SC..  trans-84121.2172.4-58.80000109.9K675 L677T545-K675 PolarHBondContact OG1-O 2.99Å; T545-L677 HydrophobicContact CG2-CB 3.79Å
546S93.8Very high96.9Very high25 Ų2533.4 Ų33.418%0.17518%0.177CC..  trans-151159.4179.4-148.30000111.4K550S546-K550 WeakPolarHBondContact OG-CB 3.5Å; S546-K550 VanDerWaalsContact OG-CG 3.28Å; S546-K550 WeakPolarHBondContact OG-CG 3.33Å
547P95.1Very high96.9Very high95 Ų9530.5 Ų30.562%0.61717%0.166SC*.  trans-59.4151.5171.9-23.234.8000112.3A549 K550 L551P547-A549 PolarHBondContact O-N 3.34Å; P547-A549 VanDerWaalsContact O-N 3.11Å; P547-K550 PolarHBondContact O-N 3.22Å; P547-L551 PolarHBondContact O-N 3.04Å
548D96.4Very high96.9Very high46 Ų4626.8 Ų26.825%0.24615%0.152CC..Hα-helixtrans-53.3-37.9-176.6-640.9000112.2K550 L551 I552 K593 W597D548-K550 PolarHBondContact O-N 3.16Å; D548-L551 PolarHBondContact O-N 2.95Å; D548-I552 WeakPolarHBondContact O-CB 3.27Å; D548-I552 WeakPolarHBondContact O-CD1 3.34Å; D548-I552 WeakPolarHBondContact O-CG1 3.3Å; D548-I552 PolarHBondContact O-N 3.06Å; D548-K593 IonicContact OD1-NZ 3.98Å; D548-K593 PolarHBondContact OD1-NZ 3.11Å; D548-K593 IonicContact OD2-NZ 2.92Å; D548-K593 PolarHBondContact OD2-NZ 3.42Å; D548-W597 HydrophobicContact CB-CZ2 3.73Å; D548-W597 WeakPolarHBondContact OD1-CZ2 3.29Å
549A96.7Very high96.8Very high51 Ų5126.2 Ų26.242%0.42115%0.149SC..Hα-helixtrans-59-45.317700000113.2P547 L551 I552 T553P547-A549 PolarHBondContact O-N 3.34Å; P547-A549 VanDerWaalsContact O-N 3.11Å; A549-L551 PolarHBondContact O-N 3.26Å; A549-I552 PolarHBondContact O-N 2.8Å; A549-T553 PolarHBondContact O-N 3.23Å; A549-T553 VanDerWaalsContact O-N 3.09Å; A549-T553 PolarHBondContact O-OG1 2.8Å
550K96.8Very high96.8Very high56 Ų5626.6 Ų26.624%0.24315%0.15CC..Hα-helixtrans-66.4-39.4178.6178.966.668153.80111.5S546 P547 D548 I552 T553 L554 N628S546-K550 WeakPolarHBondContact OG-CB 3.5Å; S546-K550 VanDerWaalsContact OG-CG 3.28Å; S546-K550 WeakPolarHBondContact OG-CG 3.33Å; P547-K550 PolarHBondContact O-N 3.22Å; D548-K550 PolarHBondContact O-N 3.16Å; K550-I552 VanDerWaalsContact C-N 3.32Å; K550-T553 PolarHBondContact O-N 2.95Å; K550-L554 HydrophobicContact CG-CD1 4.38Å; K550-L554 WeakPolarHBondContact O-CG 3.26Å; K550-L554 PolarHBondContact O-N 3.44Å; K550-N628 HydrophobicContact CD-CB 3.97Å; K550-N628 WeakPolarHBondContact CD-OD1 3.44Å; K550-N628 PolarHBondContact NZ-O 2.87Å; K550-N628 PolarHBondContact NZ-OD1 3.17Å
551L97.4Very high96.7Very high5 Ų525.3 Ų25.33%0.02614%0.144CC..Hα-helixtrans-65.7-36177.3-62.4178.8000111.9L539 P547 D548 A549 L554 A555 P586 K589 W597L539-L551 HydrophobicContact CD1-CD2 3.72Å; P547-L551 PolarHBondContact O-N 3.04Å; D548-L551 PolarHBondContact O-N 2.95Å; A549-L551 PolarHBondContact O-N 3.26Å; L551-L554 PolarHBondContact O-N 2.69Å; L551-A555 WeakPolarHBondContact O-CB 3.3Å; L551-A555 PolarHBondContact O-N 3Å; L551-P586 HydrophobicContact CD1-CG 4.26Å; L551-P586 HydrophobicContact CD2-CG 4Å; L551-K589 HydrophobicContact CD1-CG 4.38Å; L551-W597 HydrophobicContact CB-CH2 4.31Å; L551-W597 HydrophobicContact CB-CZ3 4.13Å; L551-W597 HydrophobicContact CD1-CH2 3.79Å; L551-W597 HydrophobicContact CD1-CZ3 4.24Å
552I98.2Very high96.7Very high0 Ų024 Ų240%014%0.144CC..Hα-helixtrans-64.3-44174.3-71.7165.4000110.9D548 A549 K550 A555 S556 W597 R600 I601 E604D548-I552 WeakPolarHBondContact O-CB 3.27Å; D548-I552 WeakPolarHBondContact O-CD1 3.34Å; D548-I552 WeakPolarHBondContact O-CG1 3.3Å; D548-I552 PolarHBondContact O-N 3.06Å; A549-I552 PolarHBondContact O-N 2.8Å; K550-I552 VanDerWaalsContact C-N 3.32Å; I552-A555 PolarHBondContact O-N 3.41Å; I552-S556 PolarHBondContact O-N 2.79Å; I552-W597 HydrophobicContact CD1-CB 4.08Å; I552-W597 HydrophobicContact CD1-CD2 4.27Å; I552-W597 HydrophobicContact CD1-CG 3.86Å; I552-W597 HydrophobicContact CG1-CB 3.98Å; I552-W597 HydrophobicContact CG1-CD2 4.07Å; I552-W597 HydrophobicContact CG1-CE3 4.27Å; I552-W597 HydrophobicContact CG1-CG 3.96Å; I552-R600 HydrophobicContact CD1-CB 4.18Å; I552-R600 HydrophobicContact CG2-CB 4.04Å; I552-I601 HydrophobicContact CB-CG1 4.29Å; I552-I601 HydrophobicContact CG1-CG1 4.15Å; I552-I601 HydrophobicContact CG2-CG1 3.85Å; I552-E604 WeakPolarHBondContact CG2-OE1 3.4Å
553T98Very high96.7Very high39 Ų3927.9 Ų27.924%0.23916%0.159CC..Hα-helixtrans-64-40.2175.1-55.60000112.7A549 K550 A555 S556 L557 E604A549-T553 PolarHBondContact O-N 3.23Å; A549-T553 VanDerWaalsContact O-N 3.09Å; A549-T553 PolarHBondContact O-OG1 2.8Å; K550-T553 PolarHBondContact O-N 2.95Å; T553-A555 VanDerWaalsContact C-N 3.33Å; T553-S556 PolarHBondContact O-N 2.81Å; T553-S556 PolarHBondContact O-OG 3.41Å; T553-L557 HydrophobicContact CG2-CD1 4.39Å; T553-L557 WeakPolarHBondContact O-CG 3.48Å; T553-L557 PolarHBondContact O-N 3.41Å; T553-L557 VanDerWaalsContact O-N 3.07Å; T553-E604 WeakPolarHBondContact CA-OE2 3.46Å; T553-E604 WeakPolarHBondContact CB-OE2 3.29Å; T553-E604 PolarHBondContact OG1-OE2 3.33Å
554L98.4Very high96.6Very high0 Ų028 Ų280%017%0.167CC..Hα-helixtrans-64-40.4174-71170.8000111.4L539 K550 L551 L557 L558 F625 N628 I632L539-L554 HydrophobicContact CD1-CD1 3.95Å; L539-L554 HydrophobicContact CD2-CB 4Å; L539-L554 HydrophobicContact CD2-CD1 4.2Å; K550-L554 HydrophobicContact CG-CD1 4.38Å; K550-L554 WeakPolarHBondContact O-CG 3.26Å; K550-L554 PolarHBondContact O-N 3.44Å; L551-L554 PolarHBondContact O-N 2.69Å; L554-L557 PolarHBondContact O-N 3.27Å; L554-L558 WeakPolarHBondContact O-CG 3.31Å; L554-L558 PolarHBondContact O-N 3.15Å; L554-F625 HydrophobicContact CB-CD2 4.39Å; L554-F625 HydrophobicContact CB-CE2 3.91Å; L554-F625 HydrophobicContact CD2-CD1 4.48Å; L554-F625 HydrophobicContact CD2-CD2 3.57Å; L554-F625 HydrophobicContact CD2-CE1 4.49Å; L554-F625 HydrophobicContact CD2-CE2 3.57Å; L554-F625 HydrophobicContact CD2-CG 4.05Å; L554-F625 HydrophobicContact CD2-CZ 4.06Å; L554-F625 HydrophobicContact CG-CE2 4.29Å; L554-N628 HydrophobicContact CD2-CB 3.5Å; L554-N628 HydrophobicContact CG-CB 4.25Å; L554-I632 HydrophobicContact CD1-CD1 4.21Å
555A98.3Very high96.4Very high0 Ų031.7 Ų31.70%019%0.187CC..Hα-helixtrans-65.7-39.8177.400000112.4L551 I552 T553 L558 L559 I584 V585 I601L551-A555 WeakPolarHBondContact O-CB 3.3Å; L551-A555 PolarHBondContact O-N 3Å; I552-A555 PolarHBondContact O-N 3.41Å; T553-A555 VanDerWaalsContact C-N 3.33Å; A555-L558 PolarHBondContact O-N 2.85Å; A555-L559 WeakPolarHBondContact O-CG 3.42Å; A555-L559 PolarHBondContact O-N 3.27Å; A555-I584 HydrophobicContact CB-CB 4.21Å; A555-I584 HydrophobicContact CB-CD1 4.19Å; A555-I584 HydrophobicContact CB-CG1 4.18Å; A555-V585 HydrophobicContact CB-CG1 4.19Å; A555-I601 HydrophobicContact CB-CD1 3.97Å; A555-I601 HydrophobicContact CB-CG1 4.15Å; A555-I601 HydrophobicContact CB-CG2 4.18Å
556S97.9Very high96.5Very high0 Ų031.3 Ų31.30%018%0.181CC..Hα-helixtrans-67.2-38.2176.8680000112.3I552 T553 L559 Q560I552-S556 PolarHBondContact O-N 2.79Å; T553-S556 PolarHBondContact O-N 2.81Å; T553-S556 PolarHBondContact O-OG 3.41Å; S556-L559 PolarHBondContact O-N 3.18Å; S556-Q560 PolarHBondContact O-N 3.18Å
557L97.9Very high96.6Very high2 Ų234.2 Ų34.21%0.0119%0.192CC..Hα-helixtrans-62.8-42.7171.4-74.4168000111.9T553 L554 L559 Q560 I561 L608 M624 F625T553-L557 HydrophobicContact CG2-CD1 4.39Å; T553-L557 WeakPolarHBondContact O-CG 3.48Å; T553-L557 PolarHBondContact O-N 3.41Å; T553-L557 VanDerWaalsContact O-N 3.07Å; L554-L557 PolarHBondContact O-N 3.27Å; L557-L559 VanDerWaalsContact C-N 3.31Å; L557-L559 PolarHBondContact O-N 3.2Å; L557-Q560 PolarHBondContact O-N 3.5Å; L557-I561 WeakPolarHBondContact O-CB 3.49Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.33Å; L557-I561 PolarHBondContact O-N 3.02Å; L557-L608 HydrophobicContact CD2-CD1 3.89Å; L557-L608 HydrophobicContact CD2-CD2 4.18Å; L557-L608 HydrophobicContact CG-CD1 4.15Å; L557-M624 HydrophobicContact CD1-CB 4.49Å; L557-M624 HydrophobicContact CD2-CB 4.18Å; L557-M624 HydrophobicContact CD2-CE 4.37Å; L557-F625 HydrophobicContact CB-CD2 4.28Å; L557-F625 HydrophobicContact CD1-CB 4.38Å
558L98.1Very high96.5Very high1 Ų133.2 Ų33.21%0.00519%0.187CC..Hα-helixtrans-63-37.8175.7-72.3175.4000112.2F532 R536 L539 L554 A555 I561 V562 I584 F625F532-L558 HydrophobicContact CE2-CD2 3.73Å; F532-L558 HydrophobicContact CZ-CD2 3.61Å; R536-L558 HydrophobicContact CG-CD1 4.46Å; R536-L558 HydrophobicContact CG-CD2 4.08Å; L539-L558 HydrophobicContact CD2-CD1 4.07Å; L554-L558 WeakPolarHBondContact O-CG 3.31Å; L554-L558 PolarHBondContact O-N 3.15Å; A555-L558 PolarHBondContact O-N 2.85Å; L558-I561 PolarHBondContact O-N 2.76Å; L558-V562 WeakPolarHBondContact O-CB 3.16Å; L558-V562 VanDerWaalsContact O-CG2 3.29Å; L558-V562 WeakPolarHBondContact O-CG2 3.29Å; L558-V562 PolarHBondContact O-N 3.06Å; L558-I584 HydrophobicContact CB-CB 4.16Å; L558-I584 HydrophobicContact CB-CG2 3.8Å; L558-I584 HydrophobicContact CD1-CB 4.21Å; L558-I584 HydrophobicContact CD1-CG2 4.47Å; L558-F625 HydrophobicContact CD1-CE2 3.84Å; L558-F625 HydrophobicContact CD1-CZ 4.39Å; L558-F625 HydrophobicContact CD2-CD2 4.04Å; L558-F625 HydrophobicContact CD2-CE2 3.7Å; L558-F625 HydrophobicContact CD2-CZ 4.24Å; L558-F625 HydrophobicContact CG-CD2 4.04Å; L558-F625 HydrophobicContact CG-CE2 3.56Å; L558-F625 HydrophobicContact CG-CZ 4.41Å
559L97.2Very high96.3Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-61.7-45.4173.3-72.1178.7000111.7A555 S556 L557 I561 V562 Y563 F575 L576 I584 I601 Y605A555-L559 WeakPolarHBondContact O-CG 3.42Å; A555-L559 PolarHBondContact O-N 3.27Å; S556-L559 PolarHBondContact O-N 3.18Å; L557-L559 VanDerWaalsContact C-N 3.31Å; L557-L559 PolarHBondContact O-N 3.2Å; L559-I561 VanDerWaalsContact C-N 3.33Å; L559-I561 PolarHBondContact O-N 3.06Å; L559-V562 PolarHBondContact O-N 3.44Å; L559-Y563 HydrophobicContact CD2-CD2 3.62Å; L559-Y563 HydrophobicContact CD2-CE2 3.68Å; L559-Y563 WeakPolarHBondContact O-CA 3.22Å; L559-Y563 WeakPolarHBondContact O-CB 3.32Å; L559-Y563 PolarHBondContact O-N 2.89Å; L559-F575 HydrophobicContact CD2-CE1 3.82Å; L559-F575 HydrophobicContact CD2-CZ 4.19Å; L559-L576 HydrophobicContact CD1-CD2 4.12Å; L559-L576 HydrophobicContact CD2-CD2 4.21Å; L559-I584 HydrophobicContact CD1-CD1 4.15Å; L559-I584 HydrophobicContact CD2-CD1 3.82Å; L559-I584 HydrophobicContact CD2-CG2 4.15Å; L559-I584 HydrophobicContact CG-CD1 3.86Å; L559-I584 HydrophobicContact CG-CG2 4.49Å; L559-I601 HydrophobicContact CD1-CG2 3.56Å; L559-Y605 HydrophobicContact CB-CD1 3.85Å; L559-Y605 HydrophobicContact CB-CD2 3.97Å; L559-Y605 HydrophobicContact CB-CE1 3.99Å; L559-Y605 HydrophobicContact CB-CE2 4.13Å; L559-Y605 HydrophobicContact CB-CG 3.86Å; L559-Y605 HydrophobicContact CD1-CD1 3.67Å; L559-Y605 HydrophobicContact CD1-CE1 4.31Å; L559-Y605 HydrophobicContact CD1-CG 4.05Å; L559-Y605 HydrophobicContact CG-CD1 4.39Å
560Q96.4Very high96.1Very high7 Ų744.5 Ų44.53%0.03322%0.224CC..Hα-helixtrans-63.2-38.6177-175.868.842.700112.2S556 L557 G564 N565 Y605 S609 L621S556-Q560 PolarHBondContact O-N 3.18Å; L557-Q560 PolarHBondContact O-N 3.5Å; Q560-G564 VanDerWaalsContact O-CA 3.27Å; Q560-G564 WeakPolarHBondContact O-CA 3.39Å; Q560-G564 PolarHBondContact O-N 3.2Å; Q560-G564 VanDerWaalsContact O-N 3.13Å; Q560-G564 PolarHBondContact OE1-O 3.19Å; Q560-N565 PolarHBondContact NE2-OD1 3.48Å; Q560-Y605 HydrophobicContact CB-CD2 4.16Å; Q560-Y605 HydrophobicContact CB-CE2 4.04Å; Q560-S609 PolarHBondContact OE1-OG 3.02Å; Q560-L621 HydrophobicContact CG-CD1 3.81Å; Q560-L621 HydrophobicContact CG-CD2 3.94Å
561I96.8Very high96Very high17 Ų1742.2 Ų42.29%0.08722%0.215CC..Hα-helixtrans-69.3-43.2178.7-72166.5000111.6F532 L557 L558 L559 M618 L621 Q622 F625F532-I561 HydrophobicContact CD2-CD1 4.32Å; F532-I561 HydrophobicContact CE1-CG2 4.25Å; F532-I561 HydrophobicContact CE2-CD1 3.52Å; F532-I561 HydrophobicContact CZ-CD1 3.84Å; F532-I561 HydrophobicContact CZ-CG2 3.84Å; L557-I561 WeakPolarHBondContact O-CB 3.49Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.33Å; L557-I561 PolarHBondContact O-N 3.02Å; L558-I561 PolarHBondContact O-N 2.76Å; L559-I561 VanDerWaalsContact C-N 3.33Å; L559-I561 PolarHBondContact O-N 3.06Å; I561-M618 HydrophobicContact CG2-SD 3.81Å; I561-L621 HydrophobicContact CD1-CB 4.23Å; I561-L621 HydrophobicContact CG1-CB 3.73Å; I561-L621 HydrophobicContact CG1-CD1 4.49Å; I561-Q622 HydrophobicContact CD1-CG 4.19Å; I561-F625 HydrophobicContact CD1-CB 4.35Å
562V95.1Very high95.4Very high75 Ų7549.2 Ų49.246%0.45525%0.245SC..Hα-helixtrans-86.5-41.1-172.9176.10000112.3L558 L559L558-V562 WeakPolarHBondContact O-CB 3.16Å; L558-V562 VanDerWaalsContact O-CG2 3.29Å; L558-V562 WeakPolarHBondContact O-CG2 3.29Å; L558-V562 PolarHBondContact O-N 3.06Å; L559-V562 PolarHBondContact O-N 3.44Å
563Y95.1Very high94.8Very high84 Ų8458.1 Ų58.133%0.32929%0.286SS..Hα-helixtrans-108.7-3.4-171.8-59.4-81.7000113.7L559 F575L559-Y563 HydrophobicContact CD2-CD2 3.62Å; L559-Y563 HydrophobicContact CD2-CE2 3.68Å; L559-Y563 WeakPolarHBondContact O-CA 3.22Å; L559-Y563 WeakPolarHBondContact O-CB 3.32Å; L559-Y563 PolarHBondContact O-N 2.89Å; Y563-F575 HydrophobicContact CD1-CE2 4.41Å; Y563-F575 HydrophobicContact CD1-CZ 4.15Å; Y563-F575 HydrophobicContact CD2-CZ 4.03Å; Y563-F575 HydrophobicContact CE1-CE2 4.29Å; Y563-F575 HydrophobicContact CE1-CZ 4.16Å; Y563-F575 HydrophobicContact CE2-CZ 4.05Å; Y563-F575 HydrophobicContact CG-CZ 4.08Å
564G94.4Very high94.2Very high29 Ų2959.4 Ų59.430%0.29931%0.307SS..  trans72.2-146.7-178.200000112.3Q560 Y605Q560-G564 VanDerWaalsContact O-CA 3.27Å; Q560-G564 WeakPolarHBondContact O-CA 3.39Å; Q560-G564 PolarHBondContact O-N 3.2Å; Q560-G564 VanDerWaalsContact O-N 3.13Å; Q560-G564 PolarHBondContact OE1-O 3.19Å; G564-Y605 WeakPolarHBondContact O-CE2 3.24Å; G564-Y605 PolarHBondContact O-OH 3.13Å
565N94.4Very high94Very high85 Ų8560.9 Ų60.946%0.45531%0.314SS..SBendtrans-70.6144.7-175.1-70.5-26.2000113.1Q560 E567 Y605Q560-N565 PolarHBondContact NE2-OD1 3.48Å; N565-E567 PolarHBondContact O-N 3.11Å; N565-Y605 PolarHBondContact O-OH 2.95Å
566Y95.1Very high93.8Very high41 Ų4161.8 Ų61.816%0.16132%0.319CS..  trans-64.7125.7176.5176.9-88.7000111.6H571 L602 Y605 K606 S609Y566-H571 HydrophobicContact CD2-CB 3.77Å; Y566-H571 AromaticContact CD2-ND1 3.85Å; Y566-H571 HydrophobicContact CE2-CB 3.52Å; Y566-L602 HydrophobicContact CE2-CD2 4.27Å; Y566-Y605 AromaticContact CD2-CD1 3.63Å; Y566-Y605 HydrophobicContact CD2-CD1 3.63Å; Y566-Y605 AromaticContact CD2-CE1 3.76Å; Y566-Y605 HydrophobicContact CD2-CE1 3.76Å; Y566-Y605 HydrophobicContact CD2-CG 4.34Å; Y566-Y605 HydrophobicContact CG-CD1 4.45Å; Y566-Y605 HydrophobicContact CG-CE1 4.4Å; Y566-Y605 PolarHBondContact N-OH 2.9Å; Y566-K606 HydrophobicContact CD1-CB 4.02Å; Y566-K606 HydrophobicContact CD1-CD 4.34Å; Y566-K606 HydrophobicContact CD1-CG 3.83Å; Y566-K606 HydrophobicContact CD2-CB 4.34Å; Y566-K606 HydrophobicContact CE1-CB 4.33Å; Y566-K606 HydrophobicContact CE1-CD 4.11Å; Y566-K606 HydrophobicContact CE1-CG 4.1Å; Y566-K606 HydrophobicContact CG-CB 4.03Å; Y566-K606 HydrophobicContact CG-CG 4.32Å; Y566-S609 VanDerWaalsContact CB-OG 3.32Å; Y566-S609 WeakPolarHBondContact CB-OG 3.23Å; Y566-S609 PolarHBondContact N-OG 3.49Å
567E94.9Very high93.6Very high86 Ų8665.1 Ų65.140%0.40234%0.336SS..  trans-119.7124.3170.7-68176.5-143.200110.7N565 K569 K570 H571N565-E567 PolarHBondContact O-N 3.11Å; E567-K569 PolarHBondContact O-N 3.49Å; E567-K569 VanDerWaalsContact O-N 3.12Å; E567-K570 HydrophobicContact CB-CB 4.26Å; E567-K570 HydrophobicContact CB-CD 4.22Å; E567-K570 HydrophobicContact CB-CG 4.23Å; E567-K570 PolarHBondContact O-N 2.96Å; E567-K570 IonicContact OE1-NZ 2.78Å; E567-K570 PolarHBondContact OE1-NZ 3.46Å; E567-K570 VanDerWaalsContact OE2-CD 3.23Å; E567-K570 WeakPolarHBondContact OE2-CD 3.48Å; E567-K570 WeakPolarHBondContact OE2-CE 3.4Å; E567-K570 IonicContact OE2-NZ 2.98Å; E567-K570 PolarHBondContact OE2-NZ 2.93Å; E567-H571 PolarHBondContact N-ND1 3.39Å; E567-H571 VanDerWaalsContact N-ND1 3.17Å; E567-H571 PolarHBondContact O-N 3.3Å
568S92.9Very high93.4Very high73 Ų7370.8 Ų70.851%0.5136%0.363SS..Hα-helixtrans-58.3-30.7-178.5-63.40000113.1K572S568-K572 WeakPolarHBondContact O-CB 3.49Å
569K92.5Very high93.2Very high212 Ų21277.9 Ų77.992%0.92240%0.396SS*.Hα-helixtrans-70.3-32.7177.9-68.9-174.9178.8-179.30112.7E567E567-K569 PolarHBondContact O-N 3.49Å; E567-K569 VanDerWaalsContact O-N 3.12Å
570K92.6Very high93Very high123 Ų12379.4 Ų79.454%0.53540%0.404SS..Hα-helixtrans-92.4-39.5-175.3-65.3179.4-179.5158.70112.7E567E567-K570 HydrophobicContact CB-CB 4.26Å; E567-K570 HydrophobicContact CB-CD 4.22Å; E567-K570 HydrophobicContact CB-CG 4.23Å; E567-K570 PolarHBondContact O-N 2.96Å; E567-K570 IonicContact OE1-NZ 2.78Å; E567-K570 PolarHBondContact OE1-NZ 3.46Å; E567-K570 VanDerWaalsContact OE2-CD 3.23Å; E567-K570 WeakPolarHBondContact OE2-CD 3.48Å; E567-K570 WeakPolarHBondContact OE2-CE 3.4Å; E567-K570 IonicContact OE2-NZ 2.98Å; E567-K570 PolarHBondContact OE2-NZ 2.93Å
571H93.8Very high92.9Very high8 Ų879.4 Ų79.44%0.03740%0.404CS..Hα-helixtrans-111.1-5.1-161.9-52.9142.6000115Y566 E567 F575 L602 Y605Y566-H571 HydrophobicContact CD2-CB 3.77Å; Y566-H571 AromaticContact CD2-ND1 3.85Å; Y566-H571 HydrophobicContact CE2-CB 3.52Å; E567-H571 PolarHBondContact N-ND1 3.39Å; E567-H571 VanDerWaalsContact N-ND1 3.17Å; E567-H571 PolarHBondContact O-N 3.3Å; H571-F575 HydrophobicContact CB-CD1 4.02Å; H571-F575 HydrophobicContact CB-CE1 4.44Å; H571-F575 HydrophobicContact CB-CG 4.25Å; H571-F575 AromaticContact CD2-CD2 3.82Å; H571-F575 AromaticContact CD2-CE1 3.91Å; H571-F575 AromaticContact CD2-CE2 3.65Å; H571-F575 AromaticContact CD2-CZ 3.7Å; H571-L602 HydrophobicContact CB-CD2 4.44Å; H571-L602 WeakPolarHBondContact O-CD2 3.3Å; H571-Y605 HydrophobicContact CB-CE1 4.47Å; H571-Y605 AromaticContact CE1-CE1 3.98Å; H571-Y605 PolarHBondContact CE1-OH 3.19Å; H571-Y605 VanDerWaalsContact CE1-OH 3.26Å; H571-Y605 AromaticContact ND1-CE1 3.52Å; H571-Y605 AromaticContact ND1-CZ 3.95Å
572K85.4Confident92.9Very high152 Ų15285 Ų8566%0.66143%0.428SS*.SBendtrans-77-46.7-169-172.4177.5179.2-176.20114.7S568S568-K572 WeakPolarHBondContact O-CB 3.49Å
573Q85.8Confident92.9Very high187 Ų18783.7 Ų83.787%0.87442%0.422SS*.SBendtrans-127.7130.7-174.1-161.8172.22.900110.7F575Q573-F575 PolarHBondContact O-N 3.42Å; Q573-F575 VanDerWaalsContact O-N 3.11Å
574G86.2Confident93Very high66 Ų6679.7 Ų79.768%0.6841%0.406SS*.SBendtrans72.9-7178.400000116.2
575F93.6Very high93.2Very high30 Ų3078.4 Ų78.413%0.13239%0.393CS..  trans-64.9-47.4-177.6175.2-109.3000113.5L559 Y563 H571 Q573 N577 N580 L602L559-F575 HydrophobicContact CD2-CE1 3.82Å; L559-F575 HydrophobicContact CD2-CZ 4.19Å; Y563-F575 HydrophobicContact CD1-CE2 4.41Å; Y563-F575 HydrophobicContact CD1-CZ 4.15Å; Y563-F575 HydrophobicContact CD2-CZ 4.03Å; Y563-F575 HydrophobicContact CE1-CE2 4.29Å; Y563-F575 HydrophobicContact CE1-CZ 4.16Å; Y563-F575 HydrophobicContact CE2-CZ 4.05Å; Y563-F575 HydrophobicContact CG-CZ 4.08Å; H571-F575 HydrophobicContact CB-CD1 4.02Å; H571-F575 HydrophobicContact CB-CE1 4.44Å; H571-F575 HydrophobicContact CB-CG 4.25Å; H571-F575 AromaticContact CD2-CD2 3.82Å; H571-F575 AromaticContact CD2-CE1 3.91Å; H571-F575 AromaticContact CD2-CE2 3.65Å; H571-F575 AromaticContact CD2-CZ 3.7Å; Q573-F575 PolarHBondContact O-N 3.42Å; Q573-F575 VanDerWaalsContact O-N 3.11Å; F575-N577 VanDerWaalsContact C-N 3.25Å; F575-N577 PolarHBondContact O-N 2.97Å; F575-N580 PolarHBondContact O-ND2 2.93Å; F575-L602 HydrophobicContact CD1-CD2 4.34Å
576L94.8Very high93.3Very high20 Ų2074.5 Ų74.511%0.10537%0.372CS..SBendtrans-83.968.9177.5-66.6-176.2000111.4L559 L581 I584 T598 I601 L602L559-L576 HydrophobicContact CD1-CD2 4.12Å; L559-L576 HydrophobicContact CD2-CD2 4.21Å; L576-L581 HydrophobicContact CB-CD2 4.38Å; L576-L581 HydrophobicContact CB-CG 4.36Å; L576-I584 HydrophobicContact CD2-CD1 3.88Å; L576-T598 HydrophobicContact CB-CG2 3.81Å; L576-T598 HydrophobicContact CD1-CG2 4.2Å; L576-I601 HydrophobicContact CD1-CB 4.13Å; L576-I601 HydrophobicContact CD1-CG2 4Å; L576-L602 HydrophobicContact CD1-CD1 4.31Å; L576-L602 HydrophobicContact CD1-CD2 3.94Å; L576-L602 HydrophobicContact CD1-CG 3.73Å; L576-L602 HydrophobicContact CG-CD2 4.16Å; L576-L602 HydrophobicContact CG-CG 4.33Å
577N93.4Very high93.3Very high70 Ų7077.4 Ų77.437%0.37439%0.389SS..  trans-80.5177.5167.866.319.3000111.4F575 E579 N580 L581F575-N577 VanDerWaalsContact C-N 3.25Å; F575-N577 PolarHBondContact O-N 2.97Å; N577-E579 VanDerWaalsContact C-N 3.29Å; N577-E579 PolarHBondContact O-N 3.39Å; N577-E579 PolarHBondContact OD1-N 2.94Å; N577-N580 PolarHBondContact O-N 3.01Å; N577-N580 WeakPolarHBondContact OD1-CB 3.31Å; N577-N580 PolarHBondContact OD1-N 3.46Å; N577-L581 VanDerWaalsContact O-CB 3.32Å; N577-L581 WeakPolarHBondContact O-CB 3.18Å; N577-L581 VanDerWaalsContact O-CG 3.29Å; N577-L581 WeakPolarHBondContact O-CG 3.25Å; N577-L581 PolarHBondContact O-N 2.81Å
578E93.1Very high93.3Very high121 Ų12175.7 Ų75.757%0.56539%0.385SS*.Hα-helixtrans-59.7-36.9-178.1-173.5173.6179.400112.9K582 L590E578-K582 WeakPolarHBondContact O-CB 3.43Å; E578-K582 PolarHBondContact O-N 3.33Å; E578-L590 HydrophobicContact CG-CD1 4.36Å; E578-L590 HydrophobicContact CG-CD2 4.29Å; E578-L590 HydrophobicContact CG-CG 4.3Å
579E92.9Very high93.4Very high150 Ų15075.1 Ų75.170%0.70137%0.373SS*.Hα-helixtrans-64.8-50.1179.4-175.8175.2-168.900111.7N577 K582N577-E579 VanDerWaalsContact C-N 3.29Å; N577-E579 PolarHBondContact O-N 3.39Å; N577-E579 PolarHBondContact OD1-N 2.94Å; E579-K582 WeakPolarHBondContact O-CB 3.4Å; E579-K582 PolarHBondContact O-N 3.1Å
580N93.6Very high93.5Very high32 Ų3265.6 Ų65.617%0.17133%0.332CS..Hα-helixtrans-67.3-39.4178-73.5-12.7000111.2F575 N577 K582 S583F575-N580 PolarHBondContact O-ND2 2.93Å; N577-N580 PolarHBondContact O-N 3.01Å; N577-N580 WeakPolarHBondContact OD1-CB 3.31Å; N577-N580 PolarHBondContact OD1-N 3.46Å; N580-K582 VanDerWaalsContact C-N 3.32Å; N580-K582 PolarHBondContact O-N 2.71Å; N580-S583 PolarHBondContact O-N 2.59Å; N580-S583 PolarHBondContact O-OG 3.22Å
581L95.6Very high93.5Very high7 Ų768.3 Ų68.34%0.03734%0.344CS..Hα-helixtrans-60.7-40175.3-77.8171.9000112L576 N577 S583 I584 V585 L590 A594 T598 I601L576-L581 HydrophobicContact CB-CD2 4.38Å; L576-L581 HydrophobicContact CB-CG 4.36Å; N577-L581 VanDerWaalsContact O-CB 3.32Å; N577-L581 WeakPolarHBondContact O-CB 3.18Å; N577-L581 VanDerWaalsContact O-CG 3.29Å; N577-L581 WeakPolarHBondContact O-CG 3.25Å; N577-L581 PolarHBondContact O-N 2.81Å; L581-S583 PolarHBondContact O-N 3.21Å; L581-S583 VanDerWaalsContact O-N 3.09Å; L581-I584 HydrophobicContact CD2-CD1 4.34Å; L581-I584 PolarHBondContact O-N 3.3Å; L581-V585 HydrophobicContact CB-CG2 4.21Å; L581-V585 HydrophobicContact CD2-CG1 4.42Å; L581-V585 WeakPolarHBondContact O-CG2 3.45Å; L581-V585 PolarHBondContact O-N 3.41Å; L581-L590 HydrophobicContact CB-CD1 3.66Å; L581-A594 HydrophobicContact CD1-CB 4.41Å; L581-T598 HydrophobicContact CD1-CG2 4.16Å; L581-T598 HydrophobicContact CD2-CG2 4.44Å; L581-I601 HydrophobicContact CD2-CD1 4.34Å
582K95.8Very high93.4Very high134 Ų13471.5 Ų71.558%0.58337%0.367SS*.Hα-helixtrans-57.6-26.4179.3-175.7-178.5175.2-173.10113.3E578 E579 N580 L590E578-K582 WeakPolarHBondContact O-CB 3.43Å; E578-K582 PolarHBondContact O-N 3.33Å; E579-K582 WeakPolarHBondContact O-CB 3.4Å; E579-K582 PolarHBondContact O-N 3.1Å; N580-K582 VanDerWaalsContact C-N 3.32Å; N580-K582 PolarHBondContact O-N 2.71Å; K582-L590 HydrophobicContact CB-CD1 4.26Å; K582-L590 HydrophobicContact CB-CD2 3.94Å; K582-L590 HydrophobicContact CG-CD2 4.08Å
583S95.6Very high93.8Very high47 Ų4767.9 Ų67.933%0.32935%0.351SS..THydrogen-bonded Turntrans-87-9.9178.868.60000114.7L540 N580 L581L540-S583 WeakPolarHBondContact CD2-O 3.48Å; N580-S583 PolarHBondContact O-N 2.59Å; N580-S583 PolarHBondContact O-OG 3.22Å; L581-S583 PolarHBondContact O-N 3.21Å; L581-S583 VanDerWaalsContact O-N 3.09Å
584I97.3Very high94.3Very high1 Ų159 Ų591%0.00531%0.31CS..THydrogen-bonded Turntrans-126.9-16.7-174.567.5176.9000115A555 L558 L559 L576 L581 I601A555-I584 HydrophobicContact CB-CB 4.21Å; A555-I584 HydrophobicContact CB-CD1 4.19Å; A555-I584 HydrophobicContact CB-CG1 4.18Å; L558-I584 HydrophobicContact CB-CB 4.16Å; L558-I584 HydrophobicContact CB-CG2 3.8Å; L558-I584 HydrophobicContact CD1-CB 4.21Å; L558-I584 HydrophobicContact CD1-CG2 4.47Å; L559-I584 HydrophobicContact CD1-CD1 4.15Å; L559-I584 HydrophobicContact CD2-CD1 3.82Å; L559-I584 HydrophobicContact CD2-CG2 4.15Å; L559-I584 HydrophobicContact CG-CD1 3.86Å; L559-I584 HydrophobicContact CG-CG2 4.49Å; L576-I584 HydrophobicContact CD2-CD1 3.88Å; L581-I584 HydrophobicContact CD2-CD1 4.34Å; L581-I584 PolarHBondContact O-N 3.3Å; I584-I601 HydrophobicContact CD1-CG2 4.4Å
585V97.1Very high94.7Very high1 Ų158.8 Ų58.81%0.00630%0.297CS..SBendtrans-117.7155.4177.3-64.20000112.8L540 A555 L581 I587 L590 A594 W597 I601L540-V585 WeakPolarHBondContact CD2-O 3.32Å; A555-V585 HydrophobicContact CB-CG1 4.19Å; L581-V585 HydrophobicContact CB-CG2 4.21Å; L581-V585 HydrophobicContact CD2-CG1 4.42Å; L581-V585 WeakPolarHBondContact O-CG2 3.45Å; L581-V585 PolarHBondContact O-N 3.41Å; V585-I587 PolarHBondContact O-N 2.94Å; V585-L590 HydrophobicContact CG2-CD1 3.92Å; V585-A594 HydrophobicContact CB-CB 4.39Å; V585-A594 HydrophobicContact CG1-CB 4.33Å; V585-A594 HydrophobicContact CG2-CB 3.71Å; V585-W597 HydrophobicContact CG1-CE3 4.18Å; V585-W597 HydrophobicContact CG1-CZ3 4.3Å; V585-I601 HydrophobicContact CG1-CD1 4.35Å
586P97.2Very high94.8Very high3 Ų364.6 Ų64.62%0.01932%0.324CS..  trans-56.9137.2172.1-25.234.6000112.8L539 L551 T588 K589 L590L539-P586 HydrophobicContact CD1-CG 3.84Å; L539-P586 HydrophobicContact CG-CG 4.33Å; L539-P586 WeakPolarHBondContact O-CA 3.36Å; L539-P586 WeakPolarHBondContact O-CB 3.48Å; L539-P586 WeakPolarHBondContact O-CG 3.32Å; L551-P586 HydrophobicContact CD1-CG 4.26Å; L551-P586 HydrophobicContact CD2-CG 4Å; P586-T588 PolarHBondContact O-N 3.15Å; P586-T588 VanDerWaalsContact O-N 3.11Å; P586-K589 HydrophobicContact CB-CG 4.25Å; P586-K589 PolarHBondContact O-N 2.79Å; P586-L590 PolarHBondContact O-N 3.35Å
587I95.5Very high95Very high102 Ų10264.2 Ų64.252%0.52332%0.321SS..Hα-helixtrans-57.2-30.6178.7-165.1165.5000112.8L540 V585 K589 L590L540-I587 WeakPolarHBondContact O-CB 3.42Å; L540-I587 WeakPolarHBondContact O-CG2 3.23Å; L540-I587 PolarHBondContact O-N 3.21Å; V585-I587 PolarHBondContact O-N 2.94Å; I587-K589 PolarHBondContact O-N 3.28Å; I587-L590 PolarHBondContact O-N 3.42Å
588T95.3Very high95.1Very high50 Ų5062.3 Ų62.331%0.30731%0.312SS..Hα-helixtrans-68.6-14.2176.957.30000113.8P586 K675P586-T588 PolarHBondContact O-N 3.15Å; P586-T588 VanDerWaalsContact O-N 3.11Å; T588-K675 HydrophobicContact CG2-CB 4Å; T588-K675 HydrophobicContact CG2-CG 3.81Å
589K95.3Very high95.2Very high61 Ų6162.7 Ų62.727%0.26532%0.318SS..Hα-helixtrans-110.8-12.9179.7-57.4-54.7-168.8-163.90113.1L551 P586 I587 K591 S592 K593 A594 W597L551-K589 HydrophobicContact CD1-CG 4.38Å; P586-K589 HydrophobicContact CB-CG 4.25Å; P586-K589 PolarHBondContact O-N 2.79Å; I587-K589 PolarHBondContact O-N 3.28Å; K589-K591 PolarHBondContact O-N 3.41Å; K589-S592 PolarHBondContact O-N 3.19Å; K589-K593 HydrophobicContact CB-CB 4.37Å; K589-K593 HydrophobicContact CD-CB 4.47Å; K589-K593 HydrophobicContact CD-CD 4.13Å; K589-K593 HydrophobicContact CD-CG 4.37Å; K589-K593 PolarHBondContact O-N 3.31Å; K589-A594 WeakPolarHBondContact O-CB 3.38Å; K589-A594 PolarHBondContact O-N 3.5Å; K589-W597 HydrophobicContact CB-CH2 3.77Å; K589-W597 HydrophobicContact CB-CZ3 3.99Å; K589-W597 HydrophobicContact CD-CH2 4.33Å; K589-W597 HydrophobicContact CG-CH2 3.8Å; K589-W597 HydrophobicContact CG-CZ3 4.37Å
590L94.6Very high95.5Very high13 Ų1361.1 Ų61.17%0.06831%0.306CS..Hα-helixtrans-55.1-45.9-171.5-175.462.5000113.3E578 L581 K582 V585 P586 I587 P595E578-L590 HydrophobicContact CG-CD1 4.36Å; E578-L590 HydrophobicContact CG-CD2 4.29Å; E578-L590 HydrophobicContact CG-CG 4.3Å; L581-L590 HydrophobicContact CB-CD1 3.66Å; K582-L590 HydrophobicContact CB-CD1 4.26Å; K582-L590 HydrophobicContact CB-CD2 3.94Å; K582-L590 HydrophobicContact CG-CD2 4.08Å; V585-L590 HydrophobicContact CG2-CD1 3.92Å; P586-L590 PolarHBondContact O-N 3.35Å; I587-L590 PolarHBondContact O-N 3.42Å; L590-P595 WeakPolarHBondContact O-CD 3.44Å
591K92.1Very high95.7Very high179 Ų17959.6 Ų59.678%0.77830%0.298SS*.THydrogen-bonded Turntrans-85.1-35-175.9-65.1-168.7174.4-171.60114.4K589K589-K591 PolarHBondContact O-N 3.41Å
592S91.2Very high95.7Very high76 Ų7660.2 Ų60.253%0.53130%0.301SS..THydrogen-bonded Turntrans-103.3-33.2-166.7560000114.7K589K589-S592 PolarHBondContact O-N 3.19Å
593K94.5Very high95.8Very high75 Ų7559.4 Ų59.433%0.32630%0.299SS..THydrogen-bonded Turntrans-117.8-42.2-174-69.7-154.4173.2-165.30113.5D548 K589 H596 W597D548-K593 IonicContact OD1-NZ 3.98Å; D548-K593 PolarHBondContact OD1-NZ 3.11Å; D548-K593 IonicContact OD2-NZ 2.92Å; D548-K593 PolarHBondContact OD2-NZ 3.42Å; K589-K593 HydrophobicContact CB-CB 4.37Å; K589-K593 HydrophobicContact CD-CB 4.47Å; K589-K593 HydrophobicContact CD-CD 4.13Å; K589-K593 HydrophobicContact CD-CG 4.37Å; K589-K593 PolarHBondContact O-N 3.31Å; K593-H596 WeakPolarHBondContact O-CB 3.48Å; K593-H596 PolarHBondContact O-N 2.66Å; K593-W597 HydrophobicContact CB-CH2 4.08Å; K593-W597 HydrophobicContact CB-CZ2 3.48Å; K593-W597 VanDerWaalsContact CB-CZ2 3.48Å; K593-W597 HydrophobicContact CD-CH2 4.41Å; K593-W597 HydrophobicContact CD-CZ2 3.61Å; K593-W597 HydrophobicContact CG-CZ2 4.23Å
594A95.1Very high95.9Very high0 Ų059.3 Ų59.30%029%0.293CS..G310 helixtrans-56.4-36.1-172.900000115.2L581 V585 K589 H596 W597L581-A594 HydrophobicContact CD1-CB 4.41Å; V585-A594 HydrophobicContact CB-CB 4.39Å; V585-A594 HydrophobicContact CG1-CB 4.33Å; V585-A594 HydrophobicContact CG2-CB 3.71Å; K589-A594 WeakPolarHBondContact O-CB 3.38Å; K589-A594 PolarHBondContact O-N 3.5Å; A594-H596 PolarHBondContact O-N 2.91Å; A594-W597 HydrophobicContact CB-CE3 4.31Å; A594-W597 WeakPolarHBondContact O-CB 3.25Å; A594-W597 PolarHBondContact O-N 3.27Å
595P95.7Very high95.8Very high63 Ų6359.3 Ų59.341%0.40929%0.293SS..G310 helixtrans-59.7-29.4177.1-2636.9000113.2L590 W597 T598L590-P595 WeakPolarHBondContact O-CD 3.44Å; P595-W597 VanDerWaalsContact C-N 3.33Å; P595-T598 PolarHBondContact O-OG1 2.88Å
596H96.4Very high95.8Very high152 Ų15263.9 Ų63.970%0.70431%0.313SS*.G310 helixtrans-83.8-6.7178.4-53.1-61.2000113.5K593 A594K593-H596 WeakPolarHBondContact O-CB 3.48Å; K593-H596 PolarHBondContact O-N 2.66Å; A594-H596 PolarHBondContact O-N 2.91Å
597W97.3Very high95.7Very high11 Ų1167.1 Ų67.14%0.04233%0.33CS..THydrogen-bonded Turntrans-96.2-15.5-178.3-62.5-12.1000113.6D548 L551 I552 V585 K589 K593 A594 P595 N599 R600 I601D548-W597 HydrophobicContact CB-CZ2 3.73Å; D548-W597 WeakPolarHBondContact OD1-CZ2 3.29Å; L551-W597 HydrophobicContact CB-CH2 4.31Å; L551-W597 HydrophobicContact CB-CZ3 4.13Å; L551-W597 HydrophobicContact CD1-CH2 3.79Å; L551-W597 HydrophobicContact CD1-CZ3 4.24Å; I552-W597 HydrophobicContact CD1-CB 4.08Å; I552-W597 HydrophobicContact CD1-CD2 4.27Å; I552-W597 HydrophobicContact CD1-CG 3.86Å; I552-W597 HydrophobicContact CG1-CB 3.98Å; I552-W597 HydrophobicContact CG1-CD2 4.07Å; I552-W597 HydrophobicContact CG1-CE3 4.27Å; I552-W597 HydrophobicContact CG1-CG 3.96Å; V585-W597 HydrophobicContact CG1-CE3 4.18Å; V585-W597 HydrophobicContact CG1-CZ3 4.3Å; K589-W597 HydrophobicContact CB-CH2 3.77Å; K589-W597 HydrophobicContact CB-CZ3 3.99Å; K589-W597 HydrophobicContact CD-CH2 4.33Å; K589-W597 HydrophobicContact CG-CH2 3.8Å; K589-W597 HydrophobicContact CG-CZ3 4.37Å; K593-W597 HydrophobicContact CB-CH2 4.08Å; K593-W597 HydrophobicContact CB-CZ2 3.48Å; K593-W597 VanDerWaalsContact CB-CZ2 3.48Å; K593-W597 HydrophobicContact CD-CH2 4.41Å; K593-W597 HydrophobicContact CD-CZ2 3.61Å; K593-W597 HydrophobicContact CG-CZ2 4.23Å; A594-W597 HydrophobicContact CB-CE3 4.31Å; A594-W597 WeakPolarHBondContact O-CB 3.25Å; A594-W597 PolarHBondContact O-N 3.27Å; P595-W597 VanDerWaalsContact C-N 3.33Å; W597-N599 PolarHBondContact O-N 2.96Å; W597-R600 PolarHBondContact O-N 2.71Å; W597-I601 HydrophobicContact CB-CD1 3.83Å; W597-I601 HydrophobicContact CB-CG1 4.21Å; W597-I601 WeakPolarHBondContact O-CG1 3.21Å; W597-I601 PolarHBondContact O-N 3.03Å
598T96.6Very high95.7Very high30 Ų3063.4 Ų63.418%0.18431%0.311CS..Hα-helixtrans-47.5-50.7-171.951.90000113.7L576 L581 P595 R600 I601 L602L576-T598 HydrophobicContact CB-CG2 3.81Å; L576-T598 HydrophobicContact CD1-CG2 4.2Å; L581-T598 HydrophobicContact CD1-CG2 4.16Å; L581-T598 HydrophobicContact CD2-CG2 4.44Å; P595-T598 PolarHBondContact O-OG1 2.88Å; T598-R600 PolarHBondContact O-N 3.33Å; T598-I601 PolarHBondContact O-N 2.92Å; T598-L602 WeakPolarHBondContact O-CB 3.05Å; T598-L602 WeakPolarHBondContact O-CG 3.49Å; T598-L602 PolarHBondContact O-N 3.08Å
599N95.8Very high95.6Very high130 Ų13061.9 Ų61.970%0.69530%0.303SS*.Hα-helixtrans-62.1-39.2179.3-69.8-28.6000113.1W597 H603W597-N599 PolarHBondContact O-N 2.96Å; N599-H603 WeakPolarHBondContact O-CB 3.34Å; N599-H603 PolarHBondContact O-N 3.19Å
600R97.7Very high95.4Very high116 Ų11663.6 Ų63.644%0.43832%0.319SS..Hα-helixtrans-71.9-41.1178.9-67.5173.959.8-166.9-2.9111.3I552 W597 T598 H603 E604I552-R600 HydrophobicContact CD1-CB 4.18Å; I552-R600 HydrophobicContact CG2-CB 4.04Å; W597-R600 PolarHBondContact O-N 2.71Å; T598-R600 PolarHBondContact O-N 3.33Å; R600-H603 PolarHBondContact O-N 3.26Å; R600-E604 PolarHBondContact O-N 3.27Å
601I97.8Very high95.3Very high0 Ų065.4 Ų65.40%033%0.332CS..Hα-helixtrans-59.3-48.6174.3-65.5169.3000110.1I552 A555 L559 L576 L581 I584 V585 W597 T598 H603 E604 Y605I552-I601 HydrophobicContact CB-CG1 4.29Å; I552-I601 HydrophobicContact CG1-CG1 4.15Å; I552-I601 HydrophobicContact CG2-CG1 3.85Å; A555-I601 HydrophobicContact CB-CD1 3.97Å; A555-I601 HydrophobicContact CB-CG1 4.15Å; A555-I601 HydrophobicContact CB-CG2 4.18Å; L559-I601 HydrophobicContact CD1-CG2 3.56Å; L576-I601 HydrophobicContact CD1-CB 4.13Å; L576-I601 HydrophobicContact CD1-CG2 4Å; L581-I601 HydrophobicContact CD2-CD1 4.34Å; I584-I601 HydrophobicContact CD1-CG2 4.4Å; V585-I601 HydrophobicContact CG1-CD1 4.35Å; W597-I601 HydrophobicContact CB-CD1 3.83Å; W597-I601 HydrophobicContact CB-CG1 4.21Å; W597-I601 WeakPolarHBondContact O-CG1 3.21Å; W597-I601 PolarHBondContact O-N 3.03Å; T598-I601 PolarHBondContact O-N 2.92Å; I601-H603 VanDerWaalsContact C-N 3.33Å; I601-H603 PolarHBondContact O-N 2.99Å; I601-E604 PolarHBondContact O-N 3.39Å; I601-Y605 VanDerWaalsContact O-CB 3.26Å; I601-Y605 WeakPolarHBondContact O-CB 3.33Å; I601-Y605 PolarHBondContact O-N 2.9Å
602L97.3Very high94.9Very high21 Ų2166.3 Ų66.311%0.1134%0.339CS..Hα-helixtrans-64.9-35.8178.8-71.9176.9000112.7Y566 H571 F575 L576 T598 Y605 K606Y566-L602 HydrophobicContact CE2-CD2 4.27Å; H571-L602 HydrophobicContact CB-CD2 4.44Å; H571-L602 WeakPolarHBondContact O-CD2 3.3Å; F575-L602 HydrophobicContact CD1-CD2 4.34Å; L576-L602 HydrophobicContact CD1-CD1 4.31Å; L576-L602 HydrophobicContact CD1-CD2 3.94Å; L576-L602 HydrophobicContact CD1-CG 3.73Å; L576-L602 HydrophobicContact CG-CD2 4.16Å; L576-L602 HydrophobicContact CG-CG 4.33Å; T598-L602 WeakPolarHBondContact O-CB 3.05Å; T598-L602 WeakPolarHBondContact O-CG 3.49Å; T598-L602 PolarHBondContact O-N 3.08Å; L602-Y605 HydrophobicContact CD2-CD1 4.36Å; L602-K606 WeakPolarHBondContact O-CB 3.34Å; L602-K606 PolarHBondContact O-N 3.3Å
603H96.8Very high94.6Very high116 Ų11666.3 Ų66.354%0.53735%0.351SS..Hα-helixtrans-63.7-50.1175.2-179.374.6000111.5N599 R600 I601 Y605 K606 N607N599-H603 WeakPolarHBondContact O-CB 3.34Å; N599-H603 PolarHBondContact O-N 3.19Å; R600-H603 PolarHBondContact O-N 3.26Å; I601-H603 VanDerWaalsContact C-N 3.33Å; I601-H603 PolarHBondContact O-N 2.99Å; H603-Y605 VanDerWaalsContact C-N 3.35Å; H603-Y605 PolarHBondContact O-N 3.35Å; H603-K606 PolarHBondContact O-N 3.11Å; H603-N607 PolarHBondContact CD2-ND2 2.91Å; H603-N607 PolarHBondContact NE2-ND2 2.85Å; H603-N607 PolarHBondContact O-N 3.3Å; H603-N607 PolarHBondContact O-ND2 3.3Å; H603-N607 PolarHBondContact O-OD1 2.86Å
604E97Very high94.3Very high46 Ų4664 Ų6422%0.21534%0.343CS..Hα-helixtrans-64.5-38.9176.6-73.1-174.3-143.900112.2I552 T553 R600 I601 N607 L608I552-E604 WeakPolarHBondContact CG2-OE1 3.4Å; T553-E604 WeakPolarHBondContact CA-OE2 3.46Å; T553-E604 WeakPolarHBondContact CB-OE2 3.29Å; T553-E604 PolarHBondContact OG1-OE2 3.33Å; R600-E604 PolarHBondContact O-N 3.27Å; I601-E604 PolarHBondContact O-N 3.39Å; E604-N607 PolarHBondContact O-N 2.89Å; E604-L608 WeakPolarHBondContact O-CG 3.38Å; E604-L608 PolarHBondContact O-N 2.8Å
605Y96.9Very high94.1Very high0 Ų066.3 Ų66.30%036%0.359CS..Hα-helixtrans-61.7-45.9176.2175.5-149000111.5L559 Q560 G564 N565 Y566 H571 I601 L602 H603 N607 L608 S609L559-Y605 HydrophobicContact CB-CD1 3.85Å; L559-Y605 HydrophobicContact CB-CD2 3.97Å; L559-Y605 HydrophobicContact CB-CE1 3.99Å; L559-Y605 HydrophobicContact CB-CE2 4.13Å; L559-Y605 HydrophobicContact CB-CG 3.86Å; L559-Y605 HydrophobicContact CD1-CD1 3.67Å; L559-Y605 HydrophobicContact CD1-CE1 4.31Å; L559-Y605 HydrophobicContact CD1-CG 4.05Å; L559-Y605 HydrophobicContact CG-CD1 4.39Å; Q560-Y605 HydrophobicContact CB-CD2 4.16Å; Q560-Y605 HydrophobicContact CB-CE2 4.04Å; G564-Y605 WeakPolarHBondContact O-CE2 3.24Å; G564-Y605 PolarHBondContact O-OH 3.13Å; N565-Y605 PolarHBondContact O-OH 2.95Å; Y566-Y605 AromaticContact CD2-CD1 3.63Å; Y566-Y605 HydrophobicContact CD2-CD1 3.63Å; Y566-Y605 AromaticContact CD2-CE1 3.76Å; Y566-Y605 HydrophobicContact CD2-CE1 3.76Å; Y566-Y605 HydrophobicContact CD2-CG 4.34Å; Y566-Y605 HydrophobicContact CG-CD1 4.45Å; Y566-Y605 HydrophobicContact CG-CE1 4.4Å; Y566-Y605 PolarHBondContact N-OH 2.9Å; H571-Y605 HydrophobicContact CB-CE1 4.47Å; H571-Y605 AromaticContact CE1-CE1 3.98Å; H571-Y605 PolarHBondContact CE1-OH 3.19Å; H571-Y605 VanDerWaalsContact CE1-OH 3.26Å; H571-Y605 AromaticContact ND1-CE1 3.52Å; H571-Y605 AromaticContact ND1-CZ 3.95Å; I601-Y605 VanDerWaalsContact O-CB 3.26Å; I601-Y605 WeakPolarHBondContact O-CB 3.33Å; I601-Y605 PolarHBondContact O-N 2.9Å; L602-Y605 HydrophobicContact CD2-CD1 4.36Å; H603-Y605 VanDerWaalsContact C-N 3.35Å; H603-Y605 PolarHBondContact O-N 3.35Å; Y605-N607 VanDerWaalsContact C-N 3.33Å; Y605-N607 PolarHBondContact O-N 3.07Å; Y605-L608 PolarHBondContact O-N 3.17Å; Y605-S609 PolarHBondContact O-N 3.19Å; Y605-S609 VanDerWaalsContact O-N 3.09Å; Y605-S609 PolarHBondContact O-OG 3.16Å; Y605-S609 VanDerWaalsContact O-OG 3.09Å
606K96.4Very high93.7Very high98 Ų9867 Ų6743%0.42636%0.356SS..Hα-helixtrans-58.5-45.4174.2-177.2-178.9177.2-173.60111.5Y566 L602 H603 L608 S609 T610Y566-K606 HydrophobicContact CD1-CB 4.02Å; Y566-K606 HydrophobicContact CD1-CD 4.34Å; Y566-K606 HydrophobicContact CD1-CG 3.83Å; Y566-K606 HydrophobicContact CD2-CB 4.34Å; Y566-K606 HydrophobicContact CE1-CB 4.33Å; Y566-K606 HydrophobicContact CE1-CD 4.11Å; Y566-K606 HydrophobicContact CE1-CG 4.1Å; Y566-K606 HydrophobicContact CG-CB 4.03Å; Y566-K606 HydrophobicContact CG-CG 4.32Å; L602-K606 WeakPolarHBondContact O-CB 3.34Å; L602-K606 PolarHBondContact O-N 3.3Å; H603-K606 PolarHBondContact O-N 3.11Å; K606-L608 VanDerWaalsContact C-N 3.34Å; K606-L608 PolarHBondContact O-N 3.19Å; K606-S609 PolarHBondContact O-N 3.31Å; K606-T610 PolarHBondContact O-N 3.49Å; K606-T610 PolarHBondContact O-OG1 2.9Å
607N95.4Very high93.5Very high71 Ų7164.8 Ų64.838%0.3835%0.346SS..Hα-helixtrans-62.4-40.9179.3-65.8-11.5000111.8H603 E604 Y605 S609 T610 S611H603-N607 PolarHBondContact CD2-ND2 2.91Å; H603-N607 PolarHBondContact NE2-ND2 2.85Å; H603-N607 PolarHBondContact O-N 3.3Å; H603-N607 PolarHBondContact O-ND2 3.3Å; H603-N607 PolarHBondContact O-OD1 2.86Å; E604-N607 PolarHBondContact O-N 2.89Å; Y605-N607 VanDerWaalsContact C-N 3.33Å; Y605-N607 PolarHBondContact O-N 3.07Å; N607-S609 VanDerWaalsContact C-N 3.3Å; N607-S609 PolarHBondContact O-N 3.01Å; N607-T610 PolarHBondContact O-N 3.18Å; N607-T610 PolarHBondContact O-OG1 3.35Å; N607-S611 VanDerWaalsContact O-CB 3.24Å; N607-S611 WeakPolarHBondContact O-CB 3.34Å; N607-S611 PolarHBondContact O-N 3.17Å
608L94.4Very high93.5Very high24 Ų2468.7 Ų68.713%0.12637%0.366CS..Hα-helixtrans-61-39175.1-75.4170000111.9L557 E604 Y605 K606 V614 K616L557-L608 HydrophobicContact CD2-CD1 3.89Å; L557-L608 HydrophobicContact CD2-CD2 4.18Å; L557-L608 HydrophobicContact CG-CD1 4.15Å; E604-L608 WeakPolarHBondContact O-CG 3.38Å; E604-L608 PolarHBondContact O-N 2.8Å; Y605-L608 PolarHBondContact O-N 3.17Å; K606-L608 VanDerWaalsContact C-N 3.34Å; K606-L608 PolarHBondContact O-N 3.19Å; L608-V614 HydrophobicContact CD2-CG1 4.26Å; L608-V614 HydrophobicContact CD2-CG2 4.48Å; L608-K616 PolarHBondContact O-NZ 3.07Å
609S92.6Very high93.4Very high18 Ų1869.4 Ų69.413%0.12637%0.367CS..Hα-helixtrans-72.9-39.1179.7-520000113.1Q560 Y566 Y605 K606 N607 K616Q560-S609 PolarHBondContact OE1-OG 3.02Å; Y566-S609 VanDerWaalsContact CB-OG 3.32Å; Y566-S609 WeakPolarHBondContact CB-OG 3.23Å; Y566-S609 PolarHBondContact N-OG 3.49Å; Y605-S609 PolarHBondContact O-N 3.19Å; Y605-S609 VanDerWaalsContact O-N 3.09Å; Y605-S609 PolarHBondContact O-OG 3.16Å; Y605-S609 VanDerWaalsContact O-OG 3.09Å; K606-S609 PolarHBondContact O-N 3.31Å; N607-S609 VanDerWaalsContact C-N 3.3Å; N607-S609 PolarHBondContact O-N 3.01Å; S609-K616 WeakPolarHBondContact O-CE 3.41Å
610T92.2Very high93.5Very high97 Ų9766.4 Ų66.460%0.59535%0.349SS*.Hα-helixtrans-85.5-15.7-177.557.10000114K606 N607 E612K606-T610 PolarHBondContact O-N 3.49Å; K606-T610 PolarHBondContact O-OG1 2.9Å; N607-T610 PolarHBondContact O-N 3.18Å; N607-T610 PolarHBondContact O-OG1 3.35Å; T610-E612 PolarHBondContact O-N 3.25Å
611S92.3Very high93.5Very high50 Ų5061.1 Ų61.135%0.3533%0.329SS..  trans-73.6116.4178.3-174.50000110.8N607 G613 V614 K616N607-S611 VanDerWaalsContact O-CB 3.24Å; N607-S611 WeakPolarHBondContact O-CB 3.34Å; N607-S611 PolarHBondContact O-N 3.17Å; S611-G613 VanDerWaalsContact C-N 3.29Å; S611-V614 PolarHBondContact O-N 3.1Å; S611-K616 PolarHBondContact O-NZ 2.94Å
612E83Confident93.5Very high198 Ų19861.6 Ų61.693%0.92533%0.331SS*.THydrogen-bonded Turntrans-69.4-25.9175.5-63.8-177171.400112.5T610 V614T610-E612 PolarHBondContact O-N 3.25Å; E612-V614 VanDerWaalsContact C-N 3.3Å; E612-V614 PolarHBondContact O-N 2.95Å
613G85.1Confident93.6Very high77 Ų7763 Ų6379%0.79434%0.335SS*.THydrogen-bonded Turntrans-78.1-8.5178.400000115S611S611-G613 VanDerWaalsContact C-N 3.29Å
614V89.1Confident93.6Very high26 Ų2660 Ų6016%0.15832%0.322CS..SBendtrans-97.7113.4177176.60000108.9L608 S611 E612 K616 L621 M624L608-V614 HydrophobicContact CD2-CG1 4.26Å; L608-V614 HydrophobicContact CD2-CG2 4.48Å; S611-V614 PolarHBondContact O-N 3.1Å; E612-V614 VanDerWaalsContact C-N 3.3Å; E612-V614 PolarHBondContact O-N 2.95Å; V614-K616 PolarHBondContact O-N 3.15Å; V614-K616 PolarHBondContact O-NZ 3.35Å; V614-L621 HydrophobicContact CG1-CD2 4.27Å; V614-M624 HydrophobicContact CG1-CE 4.14Å; V614-M624 HydrophobicContact CG1-SD 3.89Å
615S91Very high93.7Very high48 Ų4857.8 Ų57.834%0.33631%0.312SS..  trans-55.8138.7176.1-174.70000111.3E617 H620S615-E617 PolarHBondContact OG-N 3.28Å; S615-H620 WeakPolarHBondContact CB-ND1 3.15Å; S615-H620 PolarHBondContact OG-ND1 3.42Å
616K86Confident93.8Very high79 Ų7957.9 Ų57.934%0.34331%0.312SS..  trans-98.71-180-54.7-59.4-175.8-116.40112.9L608 S609 S611 V614L608-K616 PolarHBondContact O-NZ 3.07Å; S609-K616 WeakPolarHBondContact O-CE 3.41Å; S611-K616 PolarHBondContact O-NZ 2.94Å; V614-K616 PolarHBondContact O-N 3.15Å; V614-K616 PolarHBondContact O-NZ 3.35Å
617E94.1Very high93.9Very high104 Ų10457.5 Ų57.549%0.48631%0.312SS..SBendtrans-68.2140.3174.8-60.3-174.6170.100110.5S615 H619 H620 L621S615-E617 PolarHBondContact OG-N 3.28Å; E617-H619 PolarHBondContact O-N 2.93Å; E617-H619 IonicContact OE2-CE1 2.8Å; E617-H619 PolarHBondContact OE2-CE1 2.98Å; E617-H619 IonicContact OE2-ND1 3.84Å; E617-H619 IonicContact OE2-NE2 2.76Å; E617-H620 HydrophobicContact CB-CB 4.43Å; E617-H620 PolarHBondContact O-N 3.43Å; E617-H620 VanDerWaalsContact O-N 3.16Å; E617-H620 IonicContact OE2-CE1 3.29Å; E617-H620 PolarHBondContact OE2-CE1 3.18Å; E617-H620 IonicContact OE2-ND1 3.94Å; E617-H620 PolarHBondContact OE2-ND1 3.49Å; E617-H620 IonicContact OE2-NE2 3.71Å; E617-L621 PolarHBondContact O-N 3.36Å; E617-L621 VanDerWaalsContact O-N 3.12Å
618M95.8Very high94Very high93 Ų9355.7 Ų55.746%0.45830%0.302SS..Hα-helixtrans-57-48.5-171.8-178.55869.800112.6I561 H620 L621 Q622I561-M618 HydrophobicContact CG2-SD 3.81Å; M618-H620 VanDerWaalsContact C-N 3.32Å; M618-H620 PolarHBondContact O-N 3.27Å; M618-L621 PolarHBondContact O-N 2.62Å; M618-Q622 HydrophobicContact CG-CG 4.48Å; M618-Q622 WeakPolarHBondContact O-CB 3.47Å; M618-Q622 VanDerWaalsContact O-CG 3.25Å; M618-Q622 WeakPolarHBondContact O-CG 3.39Å; M618-Q622 PolarHBondContact O-N 3.36Å; M618-Q622 HydrophobicContact SD-CG 4.28Å
619H96Very high94.2Very high45 Ų4554.6 Ų54.621%0.20830%0.296CS..Hα-helixtrans-69.1-29.4-177.968.5-81.8000112.2P525 I528 E617 R623P525-H619 HydrophobicContact CB-CB 4Å; I528-H619 HydrophobicContact CD1-CB 4.38Å; I528-H619 HydrophobicContact CG2-CB 4.4Å; I528-H619 WeakPolarHBondContact CG2-O 3.3Å; E617-H619 PolarHBondContact O-N 2.93Å; E617-H619 IonicContact OE2-CE1 2.8Å; E617-H619 PolarHBondContact OE2-CE1 2.98Å; E617-H619 IonicContact OE2-ND1 3.84Å; E617-H619 IonicContact OE2-NE2 2.76Å; H619-R623 VanDerWaalsContact O-CB 3.28Å; H619-R623 WeakPolarHBondContact O-CB 3.48Å; H619-R623 PolarHBondContact O-N 3.12Å
620H96.9Very high94.4Very high67 Ų6754.4 Ų54.431%0.3129%0.293SS..Hα-helixtrans-66-45.3171.6-67.8146.2000112.1S615 E617 M618 R623 M624S615-H620 WeakPolarHBondContact CB-ND1 3.15Å; S615-H620 PolarHBondContact OG-ND1 3.42Å; E617-H620 HydrophobicContact CB-CB 4.43Å; E617-H620 PolarHBondContact O-N 3.43Å; E617-H620 VanDerWaalsContact O-N 3.16Å; E617-H620 IonicContact OE2-CE1 3.29Å; E617-H620 PolarHBondContact OE2-CE1 3.18Å; E617-H620 IonicContact OE2-ND1 3.94Å; E617-H620 PolarHBondContact OE2-ND1 3.49Å; E617-H620 IonicContact OE2-NE2 3.71Å; M618-H620 VanDerWaalsContact C-N 3.32Å; M618-H620 PolarHBondContact O-N 3.27Å; H620-R623 PolarHBondContact O-N 3.35Å; H620-M624 WeakPolarHBondContact O-CG 3.39Å; H620-M624 PolarHBondContact O-N 2.89Å
621L97.8Very high94.6Very high5 Ų555.8 Ų55.83%0.02629%0.293CS..Hα-helixtrans-63.7-42.2176.4-67.7169.7000111.9Q560 I561 V614 E617 M618 R623 M624 F625Q560-L621 HydrophobicContact CG-CD1 3.81Å; Q560-L621 HydrophobicContact CG-CD2 3.94Å; I561-L621 HydrophobicContact CD1-CB 4.23Å; I561-L621 HydrophobicContact CG1-CB 3.73Å; I561-L621 HydrophobicContact CG1-CD1 4.49Å; V614-L621 HydrophobicContact CG1-CD2 4.27Å; E617-L621 PolarHBondContact O-N 3.36Å; E617-L621 VanDerWaalsContact O-N 3.12Å; M618-L621 PolarHBondContact O-N 2.62Å; L621-R623 VanDerWaalsContact C-N 3.34Å; L621-R623 PolarHBondContact O-N 3.19Å; L621-M624 WeakPolarHBondContact O-CB 3.4Å; L621-M624 PolarHBondContact O-N 2.87Å; L621-F625 PolarHBondContact O-N 3.23Å
622Q98.4Very high94.8Very high10 Ų1053.5 Ų53.55%0.04728%0.277CS..Hα-helixtrans-62.6-40.5174.8-71.3170.2-10.500111.6I528 L529 F532 I561 M618 F625 L626I528-Q622 HydrophobicContact CG2-CB 3.58Å; L529-Q622 VanDerWaalsContact CD1-NE2 3.28Å; F532-Q622 HydrophobicContact CB-CB 4Å; F532-Q622 HydrophobicContact CB-CG 4.19Å; F532-Q622 HydrophobicContact CD1-CG 3.92Å; F532-Q622 HydrophobicContact CD2-CB 4.07Å; F532-Q622 HydrophobicContact CD2-CG 3.97Å; F532-Q622 HydrophobicContact CE1-CG 4.31Å; F532-Q622 HydrophobicContact CE2-CG 4.36Å; F532-Q622 HydrophobicContact CG-CB 3.96Å; F532-Q622 HydrophobicContact CG-CG 3.73Å; I561-Q622 HydrophobicContact CD1-CG 4.19Å; M618-Q622 HydrophobicContact CG-CG 4.48Å; M618-Q622 WeakPolarHBondContact O-CB 3.47Å; M618-Q622 VanDerWaalsContact O-CG 3.25Å; M618-Q622 WeakPolarHBondContact O-CG 3.39Å; M618-Q622 PolarHBondContact O-N 3.36Å; M618-Q622 HydrophobicContact SD-CG 4.28Å; Q622-F625 WeakPolarHBondContact O-CB 3.33Å; Q622-F625 PolarHBondContact O-N 3.05Å; Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 2.66Å
623R98.1Very high95.6Very high51 Ų5145.9 Ų45.919%0.19224%0.244CC..Hα-helixtrans-65.4-39173.8-169.2176.3-177.8-173.63.5112K520 I522 E523 I528 H619 H620 L621 F625 L626 Q627K520-R623 PolarHBondContact O-NH2 2.89Å; I522-R623 PolarHBondContact O-NE 3.17Å; I522-R623 PolarHBondContact O-NH2 3Å; E523-R623 IonicContact OE1-NH1 2.98Å; I528-R623 HydrophobicContact CD1-CB 4.38Å; I528-R623 HydrophobicContact CG2-CB 4.33Å; H619-R623 VanDerWaalsContact O-CB 3.28Å; H619-R623 WeakPolarHBondContact O-CB 3.48Å; H619-R623 PolarHBondContact O-N 3.12Å; H620-R623 PolarHBondContact O-N 3.35Å; L621-R623 VanDerWaalsContact C-N 3.34Å; L621-R623 PolarHBondContact O-N 3.19Å; R623-F625 VanDerWaalsContact C-N 3.29Å; R623-F625 PolarHBondContact O-N 2.93Å; R623-L626 PolarHBondContact O-N 3.44Å; R623-Q627 WeakPolarHBondContact O-CB 3.41Å; R623-Q627 VanDerWaalsContact O-CG 3.29Å; R623-Q627 WeakPolarHBondContact O-CG 3.32Å; R623-Q627 PolarHBondContact O-N 3.4Å
624M97.8Very high96.2Very high52 Ų5242.3 Ų42.326%0.25621%0.207SC..Hα-helixtrans-62-36.3172.6-72.6179.77000112.5L557 V614 H620 L621 N628L557-M624 HydrophobicContact CD1-CB 4.49Å; L557-M624 HydrophobicContact CD2-CB 4.18Å; L557-M624 HydrophobicContact CD2-CE 4.37Å; V614-M624 HydrophobicContact CG1-CE 4.14Å; V614-M624 HydrophobicContact CG1-SD 3.89Å; H620-M624 WeakPolarHBondContact O-CG 3.39Å; H620-M624 PolarHBondContact O-N 2.89Å; L621-M624 WeakPolarHBondContact O-CB 3.4Å; L621-M624 PolarHBondContact O-N 2.87Å; M624-N628 PolarHBondContact O-N 2.72Å; M624-N628 PolarHBondContact O-ND2 2.75Å
625F98.5Very high96.6Very high0 Ų041.3 Ų41.30%020%0.2CC..Hα-helixtrans-63.6-48.7171.9-179.1-85.4000110.9F532 A535 R536 L539 L554 L557 L558 I561 L621 Q622 R623 Q627 N628 C629F532-F625 HydrophobicContact CD2-CB 4.05Å; F532-F625 AromaticContact CD2-CD1 3.57Å; F532-F625 HydrophobicContact CD2-CD1 3.57Å; F532-F625 HydrophobicContact CD2-CE1 4.18Å; F532-F625 AromaticContact CD2-CG 3.88Å; F532-F625 HydrophobicContact CD2-CG 3.88Å; F532-F625 HydrophobicContact CE2-CB 4.11Å; F532-F625 AromaticContact CE2-CD1 3.8Å; F532-F625 HydrophobicContact CE2-CD1 3.8Å; F532-F625 HydrophobicContact CE2-CD2 4.2Å; F532-F625 HydrophobicContact CE2-CE1 4.23Å; F532-F625 AromaticContact CE2-CG 3.77Å; F532-F625 HydrophobicContact CE2-CG 3.77Å; A535-F625 HydrophobicContact CB-CD1 4.47Å; A535-F625 HydrophobicContact CB-CE1 3.91Å; R536-F625 HydrophobicContact CB-CE1 4.5Å; R536-F625 HydrophobicContact CB-CZ 4.42Å; L539-F625 HydrophobicContact CD2-CE2 3.92Å; L539-F625 HydrophobicContact CD2-CZ 3.7Å; L554-F625 HydrophobicContact CB-CD2 4.39Å; L554-F625 HydrophobicContact CB-CE2 3.91Å; L554-F625 HydrophobicContact CD2-CD1 4.48Å; L554-F625 HydrophobicContact CD2-CD2 3.57Å; L554-F625 HydrophobicContact CD2-CE1 4.49Å; L554-F625 HydrophobicContact CD2-CE2 3.57Å; L554-F625 HydrophobicContact CD2-CG 4.05Å; L554-F625 HydrophobicContact CD2-CZ 4.06Å; L554-F625 HydrophobicContact CG-CE2 4.29Å; L557-F625 HydrophobicContact CB-CD2 4.28Å; L557-F625 HydrophobicContact CD1-CB 4.38Å; L558-F625 HydrophobicContact CD1-CE2 3.84Å; L558-F625 HydrophobicContact CD1-CZ 4.39Å; L558-F625 HydrophobicContact CD2-CD2 4.04Å; L558-F625 HydrophobicContact CD2-CE2 3.7Å; L558-F625 HydrophobicContact CD2-CZ 4.24Å; L558-F625 HydrophobicContact CG-CD2 4.04Å; L558-F625 HydrophobicContact CG-CE2 3.56Å; L558-F625 HydrophobicContact CG-CZ 4.41Å; I561-F625 HydrophobicContact CD1-CB 4.35Å; L621-F625 PolarHBondContact O-N 3.23Å; Q622-F625 WeakPolarHBondContact O-CB 3.33Å; Q622-F625 PolarHBondContact O-N 3.05Å; R623-F625 VanDerWaalsContact C-N 3.29Å; R623-F625 PolarHBondContact O-N 2.93Å; F625-Q627 VanDerWaalsContact C-N 3.35Å; F625-Q627 PolarHBondContact O-N 3.2Å; F625-N628 WeakPolarHBondContact O-CB 3.37Å; F625-N628 PolarHBondContact O-N 2.75Å; F625-N628 VanDerWaalsContact O-N 3.1Å; F625-C629 VanDerWaalsContact CE1-SG 3.55Å; F625-C629 PolarHBondContact O-N 3.41Å; F625-C629 VanDerWaalsContact O-N 3.09Å; F625-C629 PolarHBondContact O-SG 3.07Å
626L98.6Very high96.9Very high3 Ų339.8 Ų39.82%0.01619%0.192CC..Hα-helixtrans-59.5-42.3176.6-69.8172.6000112.5I528 L531 A535 Q622 R623 N628 C629 W630I528-L626 HydrophobicContact CG2-CD1 4.28Å; L531-L626 HydrophobicContact CB-CD1 3.85Å; L531-L626 HydrophobicContact CB-CD2 4.1Å; A535-L626 HydrophobicContact CB-CD2 3.71Å; Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 2.66Å; R623-L626 PolarHBondContact O-N 3.44Å; L626-N628 PolarHBondContact O-N 2.55Å; L626-C629 CarbonylContact O-C 3.56Å; L626-C629 WeakPolarHBondContact O-CA 3.29Å; L626-C629 WeakPolarHBondContact O-CB 3.12Å; L626-C629 PolarHBondContact O-N 2.81Å; L626-W630 HydrophobicContact CB-CZ2 4.05Å; L626-W630 VanDerWaalsContact O-CD1 3.31Å; L626-W630 VanDerWaalsContact O-CG 3.23Å; L626-W630 PolarHBondContact O-N 3.18Å
627Q98Very high97.5Very high90 Ų9036.5 Ų36.542%0.42118%0.18SC..Hα-helixtrans-54.8-40.2174-77.8169.9-800112.4R623 F625 C629 W630R623-Q627 WeakPolarHBondContact O-CB 3.41Å; R623-Q627 VanDerWaalsContact O-CG 3.29Å; R623-Q627 WeakPolarHBondContact O-CG 3.32Å; R623-Q627 PolarHBondContact O-N 3.4Å; F625-Q627 VanDerWaalsContact C-N 3.35Å; F625-Q627 PolarHBondContact O-N 3.2Å; Q627-C629 VanDerWaalsContact C-N 3.34Å; Q627-W630 HydrophobicContact CB-CE3 4.17Å; Q627-W630 HydrophobicContact CB-CZ3 4.17Å; Q627-W630 HydrophobicContact CG-CE3 3.79Å; Q627-W630 HydrophobicContact CG-CH2 3.87Å; Q627-W630 HydrophobicContact CG-CZ3 3.3Å
628N98.1Very high97.7Very high33 Ų3331.9 Ų31.918%0.17616%0.16CC..Hα-helixtrans-70.6-32175.6-84.3-75.6000112.7K550 L554 M624 F625 L626K550-N628 HydrophobicContact CD-CB 3.97Å; K550-N628 WeakPolarHBondContact CD-OD1 3.44Å; K550-N628 PolarHBondContact NZ-O 2.87Å; K550-N628 PolarHBondContact NZ-OD1 3.17Å; L554-N628 HydrophobicContact CD2-CB 3.5Å; L554-N628 HydrophobicContact CG-CB 4.25Å; M624-N628 PolarHBondContact O-N 2.72Å; M624-N628 PolarHBondContact O-ND2 2.75Å; F625-N628 WeakPolarHBondContact O-CB 3.37Å; F625-N628 PolarHBondContact O-N 2.75Å; F625-N628 VanDerWaalsContact O-N 3.1Å; L626-N628 PolarHBondContact O-N 2.55Å
629C98.4Very high97.8Very high0 Ų029.1 Ų29.10%015%0.145CC..Hα-helixtrans-76.1-31.5176.5-66.80000113.7Y544 F625 L626 Q627 E631 I632 Y635Y544-C629 HydrophobicContact CE2-CB 4.14Å; F625-C629 VanDerWaalsContact CE1-SG 3.55Å; F625-C629 PolarHBondContact O-N 3.41Å; F625-C629 VanDerWaalsContact O-N 3.09Å; F625-C629 PolarHBondContact O-SG 3.07Å; L626-C629 CarbonylContact O-C 3.56Å; L626-C629 WeakPolarHBondContact O-CA 3.29Å; L626-C629 WeakPolarHBondContact O-CB 3.12Å; L626-C629 PolarHBondContact O-N 2.81Å; Q627-C629 VanDerWaalsContact C-N 3.34Å; C629-E631 PolarHBondContact O-N 3.33Å; C629-E631 VanDerWaalsContact O-N 3.09Å; C629-I632 HydrophobicContact CB-CD1 4.48Å; C629-I632 VanDerWaalsContact O-CB 3.24Å; C629-I632 WeakPolarHBondContact O-CB 3.39Å; C629-I632 WeakPolarHBondContact O-CG1 3.5Å; C629-I632 PolarHBondContact O-N 3Å; C629-Y635 HydrophobicContact CB-CD2 3.71Å; C629-Y635 HydrophobicContact CB-CE2 3.75Å; C629-Y635 WeakPolarHBondContact O-CB 3.37Å
630W98.2Very high97.8Very high15 Ų1527.6 Ų27.66%0.05714%0.138CC..Hα-helixtrans-58.7-25.9-176.6-69.5-23000114.2L516 E519 K520 L626 Q627 Y635 K665L516-W630 HydrophobicContact CD1-CB 4.09Å; L516-W630 HydrophobicContact CD1-CG 3.83Å; L516-W630 HydrophobicContact CD2-CB 4.43Å; E519-W630 HydrophobicContact CG-CZ2 4.34Å; K520-W630 HydrophobicContact CB-CH2 4.33Å; K520-W630 HydrophobicContact CB-CZ3 4.14Å; K520-W630 HydrophobicContact CD-CE3 4.32Å; K520-W630 HydrophobicContact CG-CD2 4.03Å; K520-W630 HydrophobicContact CG-CE3 3.5Å; K520-W630 HydrophobicContact CG-CH2 4.06Å; K520-W630 HydrophobicContact CG-CZ2 4.49Å; K520-W630 HydrophobicContact CG-CZ3 3.52Å; L626-W630 HydrophobicContact CB-CZ2 4.05Å; L626-W630 VanDerWaalsContact O-CD1 3.31Å; L626-W630 VanDerWaalsContact O-CG 3.23Å; L626-W630 PolarHBondContact O-N 3.18Å; Q627-W630 HydrophobicContact CB-CE3 4.17Å; Q627-W630 HydrophobicContact CB-CZ3 4.17Å; Q627-W630 HydrophobicContact CG-CE3 3.79Å; Q627-W630 HydrophobicContact CG-CH2 3.87Å; Q627-W630 HydrophobicContact CG-CZ3 3.3Å; W630-Y635 AromaticContact CD1-CD1 3.99Å; W630-Y635 AromaticContact CD1-CE1 3.34Å; W630-Y635 AromaticContact CD1-CZ 3.34Å; W630-Y635 AromaticContact NE1-CE1 3.86Å; W630-Y635 AromaticContact NE1-CZ 3.64Å; W630-Y635 PolarHBondContact NE1-OH 2.81Å; W630-Y635 VanDerWaalsContact NE1-OH 3.12Å; W630-K665 WeakPolarHBondContact O-CE 3.11Å; W630-K665 PolarHBondContact O-NZ 3.07Å
631E95.4Very high97.8Very high125 Ų12525.8 Ų25.858%0.58413%0.132SC*.THydrogen-bonded Turntrans-84.8-13.5177.5-61.8-53.3134.700112.9K520 C629K520-E631 IonicContact NZ-OE1 3.88Å; C629-E631 PolarHBondContact O-N 3.33Å; C629-E631 VanDerWaalsContact O-N 3.09Å
632I97.7Very high97.6Very high3 Ų326 Ų262%0.01513%0.134CC..SBendtrans-67.4131.3179.4-58.3-177.7000109.2Y544 L554 C629 T634 Y635 K665Y544-I632 HydrophobicContact CD1-CG2 4.15Å; Y544-I632 HydrophobicContact CD2-CD1 3.85Å; Y544-I632 HydrophobicContact CG-CD1 3.98Å; Y544-I632 HydrophobicContact CG-CG2 4.08Å; L554-I632 HydrophobicContact CD1-CD1 4.21Å; C629-I632 HydrophobicContact CB-CD1 4.48Å; C629-I632 VanDerWaalsContact O-CB 3.24Å; C629-I632 WeakPolarHBondContact O-CB 3.39Å; C629-I632 WeakPolarHBondContact O-CG1 3.5Å; C629-I632 PolarHBondContact O-N 3Å; I632-T634 VanDerWaalsContact C-N 3.31Å; I632-T634 PolarHBondContact O-N 2.82Å; I632-Y635 VanDerWaalsContact O-CB 3.31Å; I632-Y635 WeakPolarHBondContact O-CB 3.28Å; I632-Y635 PolarHBondContact O-N 3.36Å; I632-Y635 VanDerWaalsContact O-N 3.16Å; I632-K665 PolarHBondContact O-NZ 3.21Å
633P97.8Very high97.4Very high38 Ų3828.9 Ų28.925%0.24715%0.148CC..THydrogen-bonded Turntrans-55.1-43.8-174.3-28.735.1000113.5Y635 N663 H668 L677P633-Y635 VanDerWaalsContact C-N 3.3Å; P633-Y635 PolarHBondContact O-N 3.02Å; P633-N663 PolarHBondContact O-ND2 2.96Å; P633-H668 PolarHBondContact O-CE1 3.4Å; P633-H668 PolarHBondContact O-NE2 3.36Å; P633-L677 HydrophobicContact CG-CD2 4.36Å
634T98.1Very high97.1Very high1 Ų127.7 Ų27.71%0.00615%0.145CC..THydrogen-bonded Turntrans-86.510.7-17648.10000114.6F543 I632 G636 A637 F639 H668 L670F543-T634 PolarHBondContact O-OG1 3.42Å; I632-T634 VanDerWaalsContact C-N 3.31Å; I632-T634 PolarHBondContact O-N 2.82Å; T634-G636 PolarHBondContact O-N 2.93Å; T634-A637 VanDerWaalsContact O-CB 3.3Å; T634-A637 WeakPolarHBondContact O-CB 3.36Å; T634-A637 PolarHBondContact O-N 2.83Å; T634-F639 HydrophobicContact CG2-CE1 4.36Å; T634-F639 HydrophobicContact CG2-CZ 4.24Å; T634-H668 HydrophobicContact CG2-CB 3.67Å; T634-L670 HydrophobicContact CG2-CD2 4.24Å
635Y98.4Very high96.6Very high5 Ų529.5 Ų29.52%0.0215%0.152CC..THydrogen-bonded Turntrans-59.6134.4178.1-178-99.3000111.8L516 E519 A535 Y544 C629 W630 I632 P633 A637 N663L516-Y635 HydrophobicContact CD1-CD1 3.96Å; L516-Y635 HydrophobicContact CD1-CE1 3.81Å; E519-Y635 PolarHBondContact OE1-OH 3.13Å; E519-Y635 WeakPolarHBondContact OE2-CE1 3.39Å; A535-Y635 HydrophobicContact CB-CE2 4.36Å; Y544-Y635 HydrophobicContact CE1-CD2 4.44Å; Y544-Y635 HydrophobicContact CE2-CD2 4.28Å; Y544-Y635 AromaticContact CZ-CD2 3.77Å; Y544-Y635 VanDerWaalsContact OH-CD2 3.28Å; Y544-Y635 WeakPolarHBondContact OH-CD2 3.31Å; C629-Y635 HydrophobicContact CB-CD2 3.71Å; C629-Y635 HydrophobicContact CB-CE2 3.75Å; C629-Y635 WeakPolarHBondContact O-CB 3.37Å; W630-Y635 AromaticContact CD1-CD1 3.99Å; W630-Y635 AromaticContact CD1-CE1 3.34Å; W630-Y635 AromaticContact CD1-CZ 3.34Å; W630-Y635 AromaticContact NE1-CE1 3.86Å; W630-Y635 AromaticContact NE1-CZ 3.64Å; W630-Y635 PolarHBondContact NE1-OH 2.81Å; W630-Y635 VanDerWaalsContact NE1-OH 3.12Å; I632-Y635 VanDerWaalsContact O-CB 3.31Å; I632-Y635 WeakPolarHBondContact O-CB 3.28Å; I632-Y635 PolarHBondContact O-N 3.36Å; I632-Y635 VanDerWaalsContact O-N 3.16Å; P633-Y635 VanDerWaalsContact C-N 3.3Å; P633-Y635 PolarHBondContact O-N 3.02Å; Y635-A637 PolarHBondContact O-N 2.76Å; Y635-N663 WeakPolarHBondContact O-CB 3.44Å; Y635-N663 PolarHBondContact O-ND2 3.29Å
636G97.5Very high95.6Very high16 Ų1631.6 Ų31.617%0.16517%0.165CC..THydrogen-bonded Turntrans6419.9179.700000115.3T634T634-G636 PolarHBondContact O-N 2.93Å
637A98.3Very high93.9Very high11 Ų1140.9 Ų40.99%0.09121%0.205CC..PPolyproline II helixtrans-80.6136.5-17800000113.9T634 Y635 F639 V662 N663T634-A637 VanDerWaalsContact O-CB 3.3Å; T634-A637 WeakPolarHBondContact O-CB 3.36Å; T634-A637 PolarHBondContact O-N 2.83Å; Y635-A637 PolarHBondContact O-N 2.76Å; A637-F639 HydrophobicContact CB-CE1 4.47Å; A637-F639 HydrophobicContact CB-CE2 4.1Å; A637-F639 HydrophobicContact CB-CZ 4.07Å; A637-V662 CarbonylContact C-O 3.51Å; A637-V662 WeakPolarHBondContact CA-O 3.37Å; A637-N663 HydrophobicContact CB-CB 3.93Å
638A98.1Very high91.5Very high7 Ų739.1 Ų39.16%0.05821%0.206CC..EExtended strand (participates in β ladder)trans-75.8126.1157.600000108.6W464 V512 F640 G661 V662 L721W464-A638 HydrophobicContact CH2-CB 4.03Å; W464-A638 HydrophobicContact CZ3-CB 4.48Å; V512-A638 HydrophobicContact CG2-CB 3.91Å; A638-F640 HydrophobicContact CB-CE2 4.01Å; A638-F640 HydrophobicContact CB-CZ 4.3Å; A638-G661 WeakPolarHBondContact O-CA 3.43Å; A638-V662 PolarHBondContact N-O 2.8Å; A638-V662 PolarHBondContact O-N 2.92Å; A638-L721 HydrophobicContact CB-CD2 3.84Å
639F97.4Very high89Confident35 Ų3541.9 Ų41.915%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-103.2130179.4-71.8-76.9000111.7F543 T634 A637 Y659 V660 L670F543-F639 HydrophobicContact CB-CE2 3.75Å; F543-F639 HydrophobicContact CB-CZ 3.8Å; F543-F639 HydrophobicContact CD1-CD1 4.25Å; F543-F639 AromaticContact CD1-CD2 3.92Å; F543-F639 HydrophobicContact CD1-CD2 3.92Å; F543-F639 HydrophobicContact CD1-CE1 4.02Å; F543-F639 AromaticContact CD1-CE2 3.67Å; F543-F639 HydrophobicContact CD1-CE2 3.67Å; F543-F639 HydrophobicContact CD1-CG 4.19Å; F543-F639 AromaticContact CD1-CZ 3.7Å; F543-F639 HydrophobicContact CD1-CZ 3.7Å; F543-F639 HydrophobicContact CE1-CD2 4.25Å; F543-F639 HydrophobicContact CE1-CE2 4.45Å; F543-F639 HydrophobicContact CE1-CG 4.28Å; F543-F639 HydrophobicContact CG-CD2 4.28Å; F543-F639 AromaticContact CG-CE2 3.78Å; F543-F639 HydrophobicContact CG-CE2 3.78Å; F543-F639 HydrophobicContact CG-CZ 4.05Å; T634-F639 HydrophobicContact CG2-CE1 4.36Å; T634-F639 HydrophobicContact CG2-CZ 4.24Å; A637-F639 HydrophobicContact CB-CE1 4.47Å; A637-F639 HydrophobicContact CB-CE2 4.1Å; A637-F639 HydrophobicContact CB-CZ 4.07Å; F639-Y659 HydrophobicContact CB-CD1 4.5Å; F639-V660 WeakPolarHBondContact CA-O 3.43Å; F639-L670 HydrophobicContact CE1-CD1 3.67Å; F639-L670 HydrophobicContact CE1-CG 4.34Å; F639-L670 HydrophobicContact CZ-CD1 4.1Å
640F97.3Very high86.8Confident13 Ų1348.1 Ų48.16%0.05727%0.271CS..EExtended strand (participates in β ladder)trans-113.5162.7173.9-57.1-87.4000109.7A638 Y659 V660 V662 Q714 L717 V718 L721A638-F640 HydrophobicContact CB-CE2 4.01Å; A638-F640 HydrophobicContact CB-CZ 4.3Å; F640-Y659 CarbonylContact O-C 3.55Å; F640-Y659 VanDerWaalsContact O-CA 3.29Å; F640-Y659 WeakPolarHBondContact O-CA 3.34Å; F640-V660 HydrophobicContact CB-CB 4.2Å; F640-V660 WeakPolarHBondContact CD2-O 3.34Å; F640-V660 PolarHBondContact N-O 3.08Å; F640-V660 PolarHBondContact O-N 2.79Å; F640-V662 HydrophobicContact CD2-CG2 4.43Å; F640-V662 HydrophobicContact CE2-CB 4.45Å; F640-V662 HydrophobicContact CE2-CG2 4.27Å; F640-Q714 VanDerWaalsContact CA-OE1 3.24Å; F640-Q714 HydrophobicContact CB-CB 4.43Å; F640-Q714 HydrophobicContact CD1-CB 3.94Å; F640-Q714 HydrophobicContact CD1-CG 4.32Å; F640-L717 HydrophobicContact CE1-CB 3.91Å; F640-L717 HydrophobicContact CE1-CD1 4.46Å; F640-L717 HydrophobicContact CZ-CB 4.48Å; F640-V718 HydrophobicContact CB-CG2 3.88Å; F640-V718 HydrophobicContact CD1-CG2 4Å; F640-V718 HydrophobicContact CD2-CG2 3.58Å; F640-V718 HydrophobicContact CE1-CG2 4.44Å; F640-V718 HydrophobicContact CE2-CG2 4.06Å; F640-V718 HydrophobicContact CG-CG2 3.53Å; F640-V718 HydrophobicContact CZ-CG2 4.46Å; F640-L721 HydrophobicContact CE2-CD2 3.96Å; F640-L721 HydrophobicContact CZ-CD2 4.08Å
641T95.4Very high84.7Confident29 Ų2952.5 Ų52.518%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-105.8138.3178.157.40000111Y659 M672 T712 Q714T641-Y659 HydrophobicContact CG2-CD1 4.26Å; T641-Y659 HydrophobicContact CG2-CE1 4.07Å; T641-M672 HydrophobicContact CG2-CE 3.78Å; T641-T712 WeakPolarHBondContact O-CB 3.49Å; T641-T712 PolarHBondContact O-OG1 3.29Å; T641-Q714 PolarHBondContact OG1-NE2 3.07Å
642G93.9Very high82.8Confident8 Ų850.4 Ų50.48%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-158.7-176.9177.100000114.1V658 H711G642-V658 PolarHBondContact N-O 3Å; G642-V658 PolarHBondContact O-N 3.08Å; G642-H711 CarbonylContact C-O 3.57Å; G642-H711 VanDerWaalsContact CA-O 3.28Å; G642-H711 WeakPolarHBondContact CA-O 3.26Å
643Q94.3Very high81.3Confident72 Ų7256 Ų5634%0.33633%0.329SS..EExtended strand (participates in β ladder)trans-133.9140.9179.4-62.9178.7-9.100110.4V655 I656 K657 H711Q643-V655 HydrophobicContact CB-CG1 4.02Å; Q643-V655 HydrophobicContact CG-CG1 4.13Å; Q643-I656 WeakPolarHBondContact CA-O 3.36Å; Q643-K657 HydrophobicContact CG-CG 4.37Å; Q643-H711 PolarHBondContact N-O 3.07Å; Q643-H711 PolarHBondContact O-N 2.89Å
644I92.6Very high80.5Confident26 Ų2661.4 Ų61.413%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-119.5142.6170.664.6177.9000109.3I656 V658 L678 V710I644-I656 HydrophobicContact CD1-CB 4.21Å; I644-I656 HydrophobicContact CD1-CD1 4.44Å; I644-I656 HydrophobicContact CD1-CG2 4.38Å; I644-I656 HydrophobicContact CG1-CB 3.68Å; I644-I656 HydrophobicContact CG1-CG2 4.25Å; I644-I656 PolarHBondContact N-O 3.27Å; I644-I656 PolarHBondContact O-N 3.24Å; I644-V658 HydrophobicContact CD1-CG1 3.98Å; I644-V658 HydrophobicContact CG1-CG1 4.05Å; I644-V658 HydrophobicContact CG2-CG2 4.16Å; I644-L678 HydrophobicContact CD1-CD1 4.34Å; I644-V710 HydrophobicContact CG2-CB 4.4Å; I644-V710 HydrophobicContact CG2-CG1 4.45Å; I644-V710 HydrophobicContact CG2-CG2 3.89Å
645F87.1Confident80.1Confident90 Ų9064.6 Ų64.640%0.39537%0.368SS..EExtended strand (participates in β ladder)trans-104124176.7-62.5-80.9000109.4H653 V655 H711F645-H653 HydrophobicContact CB-CB 4.26Å; F645-H653 HydrophobicContact CD1-CB 4.11Å; F645-V655 HydrophobicContact CD1-CG2 3.86Å; F645-V655 HydrophobicContact CE1-CB 4.38Å; F645-V655 HydrophobicContact CE1-CG1 4.22Å; F645-V655 HydrophobicContact CE1-CG2 3.53Å; F645-H711 AromaticContact CD2-CD2 3.44Å; F645-H711 VanDerWaalsContact CD2-CD2 3.44Å; F645-H711 WeakPolarHBondContact CD2-CD2 3.06Å; F645-H711 AromaticContact CD2-NE2 3.52Å; F645-H711 HydrophobicContact CE2-CB 4.34Å; F645-H711 AromaticContact CE2-CD2 3.33Å; F645-H711 WeakPolarHBondContact CE2-CD2 3.3Å; F645-H711 AromaticContact CE2-CG 3.7Å; F645-H711 AromaticContact CE2-NE2 3.57Å
646T77.9Confident79.8Confident43 Ų4366.1 Ų66.126%0.26438%0.376SS..  trans-82.9146.9176.662.40000111.4A648 H653 K654 I656T646-A648 PolarHBondContact O-N 2.88Å; T646-A648 VanDerWaalsContact O-N 3.08Å; T646-H653 PolarHBondContact O-ND1 3.39Å; T646-K654 PolarHBondContact N-O 2.91Å; T646-K654 PolarHBondContact OG1-O 3.48Å; T646-I656 HydrophobicContact CG2-CD1 3.4Å; T646-I656 VanDerWaalsContact CG2-CD1 3.4Å; T646-I656 HydrophobicContact CG2-CG1 4.12Å
647K62.2Low79.6Confident198 Ų19871.2 Ų71.286%0.86139%0.394SS*.  trans-82.553172.3-65.6-175.9179.2179.40111.2
648A47.3Very low79.5Confident54 Ų5470.7 Ų70.745%0.44639%0.389SS..  trans-97.798.5177.600000110.4T646 S652T646-A648 PolarHBondContact O-N 2.88Å; T646-A648 VanDerWaalsContact O-N 3.08Å; A648-S652 VanDerWaalsContact O-O 3.13Å
649S46Very low79.5Confident91 Ų9172.1 Ų72.164%0.63639%0.394SS*.SBendtrans64.1153.9174.5-161.30000117.4S651S649-S651 PolarHBondContact O-N 2.88Å
650S51.1Low79.5Confident130 Ų13070.4 Ų70.491%0.90939%0.386SS*.THydrogen-bonded Turntrans-66.64.4-169.644.20000116.2
651S54.8Low79.6Confident107 Ų10769.8 Ų69.875%0.74838%0.384SS*.THydrogen-bonded Turntrans-138.1-3.8-172.9550000117.1S649S649-S651 PolarHBondContact O-N 2.88Å
652S54.9Low79.7Confident81 Ų8168.4 Ų68.457%0.56638%0.375SS*.  trans-159.5109.7171.865.60000113.6A648 K654A648-S652 VanDerWaalsContact O-O 3.13Å; S652-K654 PolarHBondContact O-N 2.9Å
653H66.6Low79.9Confident122 Ų12268 Ų6857%0.56537%0.371SS*.  trans-71.8114.8169.1-68.7-63.2000110.3F645 T646 V655F645-H653 HydrophobicContact CB-CB 4.26Å; F645-H653 HydrophobicContact CD1-CB 4.11Å; T646-H653 PolarHBondContact O-ND1 3.39Å; H653-V655 PolarHBondContact O-N 3.3Å
654K81.7Confident80.1Confident150 Ų15065.7 Ų65.765%0.65236%0.361SS*.  trans-71.9121.6171.4-174.2176.3-179.7175.60109T646 S652T646-K654 PolarHBondContact N-O 2.91Å; T646-K654 PolarHBondContact OG1-O 3.48Å; S652-K654 PolarHBondContact O-N 2.9Å
655V88.4Confident80.3Confident68 Ų6866.6 Ų66.641%0.41237%0.365SS..EExtended strand (participates in β ladder)trans-80.3121.9175.4-169.30000109.1Q643 F645 H653Q643-V655 HydrophobicContact CB-CG1 4.02Å; Q643-V655 HydrophobicContact CG-CG1 4.13Å; F645-V655 HydrophobicContact CD1-CG2 3.86Å; F645-V655 HydrophobicContact CE1-CB 4.38Å; F645-V655 HydrophobicContact CE1-CG1 4.22Å; F645-V655 HydrophobicContact CE1-CG2 3.53Å; H653-V655 PolarHBondContact O-N 3.3Å
656I92.1Very high80.7Confident37 Ų3762.3 Ų62.319%0.1935%0.346CS..EExtended strand (participates in β ladder)trans-108.8117172.3-55.9176.9000107.6Q643 I644 T646 V658 L678Q643-I656 WeakPolarHBondContact CA-O 3.36Å; I644-I656 HydrophobicContact CD1-CB 4.21Å; I644-I656 HydrophobicContact CD1-CD1 4.44Å; I644-I656 HydrophobicContact CD1-CG2 4.38Å; I644-I656 HydrophobicContact CG1-CB 3.68Å; I644-I656 HydrophobicContact CG1-CG2 4.25Å; I644-I656 PolarHBondContact N-O 3.27Å; I644-I656 PolarHBondContact O-N 3.24Å; T646-I656 HydrophobicContact CG2-CD1 3.4Å; T646-I656 VanDerWaalsContact CG2-CD1 3.4Å; T646-I656 HydrophobicContact CG2-CG1 4.12Å; I656-V658 HydrophobicContact CG2-CG1 4Å; I656-L678 HydrophobicContact CG2-CD1 4.25Å
657K94.6Very high81.7Confident123 Ų12360.3 Ų60.354%0.53533%0.334SS..EExtended strand (participates in β ladder)trans-75.9132.7172.1-61.6-176.4-179.2178.70109.4Q643 M672Q643-K657 HydrophobicContact CG-CG 4.37Å; K657-M672 HydrophobicContact CB-CB 3.84Å; K657-M672 HydrophobicContact CB-CE 4.42Å; K657-M672 HydrophobicContact CB-CG 4.48Å; K657-M672 HydrophobicContact CB-SD 3.93Å; K657-M672 HydrophobicContact CD-SD 4.27Å; K657-M672 WeakPolarHBondContact O-CB 3.43Å; K657-M672 PolarHBondContact O-N 2.93Å
658V96.1Very high83.4Confident0 Ų051 Ų510%029%0.293CS..EExtended strand (participates in β ladder)trans-131.5147.3-174.8-630000111.9G642 I644 I656 V660 L669 L670 M672 L678 V710G642-V658 PolarHBondContact N-O 3Å; G642-V658 PolarHBondContact O-N 3.08Å; I644-V658 HydrophobicContact CD1-CG1 3.98Å; I644-V658 HydrophobicContact CG1-CG1 4.05Å; I644-V658 HydrophobicContact CG2-CG2 4.16Å; I656-V658 HydrophobicContact CG2-CG1 4Å; V658-V660 HydrophobicContact CG2-CG2 4.22Å; V658-L669 HydrophobicContact CG2-CD2 4.37Å; V658-L670 CarbonylContact C-O 3.49Å; V658-L670 WeakPolarHBondContact CA-O 3.39Å; V658-L670 WeakPolarHBondContact CB-O 3.31Å; V658-M672 WeakPolarHBondContact O-CE 3.43Å; V658-L678 HydrophobicContact CG1-CD1 3.69Å; V658-V710 HydrophobicContact CG2-CG1 4.33Å
659Y97.9Very high85.8Confident37 Ų3748.7 Ų48.715%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-85.9135.7154.5-68.6-73.6000109.1F543 F639 F640 T641 L669 L670 M672 K675F543-Y659 HydrophobicContact CE1-CD1 4.44Å; F543-Y659 HydrophobicContact CE1-CD2 4.12Å; F543-Y659 HydrophobicContact CE1-CE1 4.45Å; F543-Y659 HydrophobicContact CE1-CE2 4.14Å; F543-Y659 HydrophobicContact CE1-CG 4.27Å; F639-Y659 HydrophobicContact CB-CD1 4.5Å; F640-Y659 CarbonylContact O-C 3.55Å; F640-Y659 VanDerWaalsContact O-CA 3.29Å; F640-Y659 WeakPolarHBondContact O-CA 3.34Å; T641-Y659 HydrophobicContact CG2-CD1 4.26Å; T641-Y659 HydrophobicContact CG2-CE1 4.07Å; Y659-L669 WeakPolarHBondContact O-CA 3.31Å; Y659-L670 PolarHBondContact N-O 3.5Å; Y659-L670 PolarHBondContact O-N 3.21Å; Y659-M672 HydrophobicContact CD1-CE 4.44Å; Y659-M672 HydrophobicContact CD2-CB 4.27Å; Y659-M672 HydrophobicContact CD2-CG 4.18Å; Y659-M672 HydrophobicContact CE1-CE 4.33Å; Y659-M672 HydrophobicContact CE2-CB 4.15Å; Y659-M672 HydrophobicContact CE2-CG 3.63Å; Y659-K675 HydrophobicContact CD2-CD 3.98Å; Y659-K675 HydrophobicContact CE2-CD 3.75Å; Y659-K675 VanDerWaalsContact CE2-CE 3.42Å
660V98.1Very high88.2Confident0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-105.4103174.1-174.60000107F639 F640 V658 V662 L667 H668 L669 F697 V710 V718F639-V660 WeakPolarHBondContact CA-O 3.43Å; F640-V660 HydrophobicContact CB-CB 4.2Å; F640-V660 WeakPolarHBondContact CD2-O 3.34Å; F640-V660 PolarHBondContact N-O 3.08Å; F640-V660 PolarHBondContact O-N 2.79Å; V658-V660 HydrophobicContact CG2-CG2 4.22Å; V660-V662 HydrophobicContact CG1-CG2 4.45Å; V660-L667 HydrophobicContact CG1-CD1 3.49Å; V660-L667 VanDerWaalsContact CG1-CD1 3.49Å; V660-H668 CarbonylContact C-O 3.55Å; V660-L669 HydrophobicContact CB-CD2 4.22Å; V660-L669 HydrophobicContact CG1-CD2 4.16Å; V660-L669 HydrophobicContact CG2-CD2 3.83Å; V660-F697 HydrophobicContact CG1-CZ 3.87Å; V660-F697 HydrophobicContact CG2-CZ 4.37Å; V660-V710 HydrophobicContact CG2-CG1 3.8Å; V660-V718 HydrophobicContact CG1-CG1 4.21Å
661G98.3Very high90.3Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-89.6129.1175.400000110.9A638 L667 H668A638-G661 WeakPolarHBondContact O-CA 3.43Å; G661-L667 CarbonylContact O-C 3.6Å; G661-H668 PolarHBondContact N-O 2.53Å; G661-H668 PolarHBondContact O-N 3.43Å
662V98.5Very high92.2Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-124.7126174-177.80000109.1A637 A638 F640 V660 L667 V718 L721 L722 L725A637-V662 CarbonylContact C-O 3.51Å; A637-V662 WeakPolarHBondContact CA-O 3.37Å; A638-V662 PolarHBondContact N-O 2.8Å; A638-V662 PolarHBondContact O-N 2.92Å; F640-V662 HydrophobicContact CD2-CG2 4.43Å; F640-V662 HydrophobicContact CE2-CB 4.45Å; F640-V662 HydrophobicContact CE2-CG2 4.27Å; V660-V662 HydrophobicContact CG1-CG2 4.45Å; V662-L667 HydrophobicContact CG2-CD1 3.72Å; V662-V718 HydrophobicContact CG2-CG1 4.1Å; V662-L721 HydrophobicContact CB-CD2 3.83Å; V662-L721 HydrophobicContact CB-CG 4.37Å; V662-L721 HydrophobicContact CG1-CB 4.37Å; V662-L721 HydrophobicContact CG1-CD2 3.77Å; V662-L721 HydrophobicContact CG1-CG 3.76Å; V662-L722 HydrophobicContact CG1-CD2 3.77Å; V662-L722 HydrophobicContact CG1-CG 4.14Å; V662-L722 HydrophobicContact CG2-CD2 4.23Å; V662-L722 HydrophobicContact CG2-CG 4.35Å; V662-L725 HydrophobicContact CG1-CD1 4.09Å
663N98.3Very high93.8Very high0 Ų040.9 Ų40.90%019%0.193CC..  trans-140.6-172.1176.864.810.3000111P633 Y635 A637 K665 G666 H668 Y683 L725P633-N663 PolarHBondContact O-ND2 2.96Å; Y635-N663 WeakPolarHBondContact O-CB 3.44Å; Y635-N663 PolarHBondContact O-ND2 3.29Å; A637-N663 HydrophobicContact CB-CB 3.93Å; N663-K665 PolarHBondContact O-N 3.25Å; N663-K665 WeakPolarHBondContact OD1-CA 3.17Å; N663-K665 VanDerWaalsContact OD1-CB 3.28Å; N663-K665 WeakPolarHBondContact OD1-CB 3.4Å; N663-K665 PolarHBondContact OD1-N 3.34Å; N663-G666 PolarHBondContact N-O 3.28Å; N663-G666 VanDerWaalsContact N-O 3.14Å; N663-G666 PolarHBondContact O-N 3.32Å; N663-G666 PolarHBondContact OD1-N 3.12Å; N663-G666 PolarHBondContact OD1-O 3.43Å; N663-H668 PolarHBondContact ND2-NE2 3.37Å; N663-H668 PolarHBondContact OD1-NE2 3.24Å; N663-H668 VanDerWaalsContact OD1-NE2 3.08Å; N663-Y683 WeakPolarHBondContact O-CE2 3.46Å; N663-Y683 PolarHBondContact O-OH 2.65Å; N663-L725 VanDerWaalsContact O-CD1 3.25Å; N663-L725 WeakPolarHBondContact O-CD1 3.49Å
664V96.8Very high95.1Very high22 Ų2238.7 Ų38.713%0.13319%0.188CC..SBendtrans-64.4-13176.1-630000114.2L514 L516 L725L514-V664 WeakPolarHBondContact O-CG1 3.25Å; L516-V664 HydrophobicContact CB-CG2 4.4Å; V664-L725 HydrophobicContact CG1-CD2 4.42Å
665K96.8Very high95.7Very high46 Ų4633.3 Ų33.320%0.217%0.165CC..SBendtrans-91.4-36177.3-56.7-179.3177.8-178.20112.4W630 I632 N663 K682 Y683W630-K665 WeakPolarHBondContact O-CE 3.11Å; W630-K665 PolarHBondContact O-NZ 3.07Å; I632-K665 PolarHBondContact O-NZ 3.21Å; N663-K665 PolarHBondContact O-N 3.25Å; N663-K665 WeakPolarHBondContact OD1-CA 3.17Å; N663-K665 VanDerWaalsContact OD1-CB 3.28Å; N663-K665 WeakPolarHBondContact OD1-CB 3.4Å; N663-K665 PolarHBondContact OD1-N 3.34Å; K665-K682 VanDerWaalsContact O-CA 3.32Å; K665-K682 WeakPolarHBondContact O-CA 3.47Å; K665-Y683 VanDerWaalsContact C-CD2 3.42Å; K665-Y683 WeakPolarHBondContact O-CD2 3.31Å; K665-Y683 PolarHBondContact O-N 2.99Å
666G96.9Very high96Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans156.8-142.6179.800000114.2N663 L681 Y683N663-G666 PolarHBondContact N-O 3.28Å; N663-G666 VanDerWaalsContact N-O 3.14Å; N663-G666 PolarHBondContact O-N 3.32Å; N663-G666 PolarHBondContact OD1-N 3.12Å; N663-G666 PolarHBondContact OD1-O 3.43Å; G666-L681 CarbonylContact C-O 3.5Å; G666-L681 VanDerWaalsContact CA-O 3.32Å; G666-L681 WeakPolarHBondContact CA-O 3.42Å; G666-Y683 VanDerWaalsContact CA-CE2 3.48Å; G666-Y683 VanDerWaalsContact N-CE2 3.34Å
667L98Very high96.2Very high1 Ų133.1 Ų33.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-112.1134.7-177.1-177.575000110.6V660 G661 V662 L681 F686 F697 I699 L722V660-L667 HydrophobicContact CG1-CD1 3.49Å; V660-L667 VanDerWaalsContact CG1-CD1 3.49Å; G661-L667 CarbonylContact O-C 3.6Å; V662-L667 HydrophobicContact CG2-CD1 3.72Å; L667-L681 PolarHBondContact N-O 3.44Å; L667-L681 PolarHBondContact O-N 2.98Å; L667-F686 HydrophobicContact CB-CE1 4.36Å; L667-F686 HydrophobicContact CB-CE2 3.95Å; L667-F686 HydrophobicContact CB-CZ 3.68Å; L667-F686 HydrophobicContact CD2-CE2 4.26Å; L667-F697 HydrophobicContact CD2-CE2 4.4Å; L667-I699 HydrophobicContact CD2-CD1 3.56Å; L667-I699 HydrophobicContact CD2-CG1 3.62Å; L667-I699 HydrophobicContact CD2-CG2 4.42Å; L667-L722 HydrophobicContact CB-CD2 4.18Å; L667-L722 HydrophobicContact CD1-CD1 4.46Å; L667-L722 HydrophobicContact CD1-CD2 4.29Å
668H98Very high96.1Very high2 Ų231 Ų311%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-131.7137.2-179.2-46.7-75.5000110.4P633 T634 V660 G661 N663 L677 L679 S680P633-H668 PolarHBondContact O-CE1 3.4Å; P633-H668 PolarHBondContact O-NE2 3.36Å; T634-H668 HydrophobicContact CG2-CB 3.67Å; V660-H668 CarbonylContact C-O 3.55Å; G661-H668 PolarHBondContact N-O 2.53Å; G661-H668 PolarHBondContact O-N 3.43Å; N663-H668 PolarHBondContact ND2-NE2 3.37Å; N663-H668 PolarHBondContact OD1-NE2 3.24Å; N663-H668 VanDerWaalsContact OD1-NE2 3.08Å; H668-L677 HydrophobicContact CB-CD1 4.27Å; H668-L679 CarbonylContact C-O 3.53Å; H668-L679 WeakPolarHBondContact CA-O 3.4Å; H668-S680 PolarHBondContact CE1-OG 3.41Å; H668-S680 VanDerWaalsContact CE1-OG 3.27Å; H668-S680 PolarHBondContact ND1-OG 2.9Å
669L97.1Very high96Very high5 Ų533.1 Ų33.13%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-112.2123.9173-64.7-174.6000109.9V658 Y659 V660 L678 L679 F708 V710V658-L669 HydrophobicContact CG2-CD2 4.37Å; Y659-L669 WeakPolarHBondContact O-CA 3.31Å; V660-L669 HydrophobicContact CB-CD2 4.22Å; V660-L669 HydrophobicContact CG1-CD2 4.16Å; V660-L669 HydrophobicContact CG2-CD2 3.83Å; L669-L678 HydrophobicContact CB-CB 4.24Å; L669-L678 PolarHBondContact O-N 3.27Å; L669-L679 HydrophobicContact CB-CB 4.2Å; L669-L679 HydrophobicContact CD1-CB 4.46Å; L669-L679 HydrophobicContact CD1-CD2 4.48Å; L669-L679 HydrophobicContact CG-CB 4.46Å; L669-L679 PolarHBondContact N-O 3.45Å; L669-L679 PolarHBondContact O-N 2.67Å; L669-F708 HydrophobicContact CD1-CD2 4.25Å; L669-F708 HydrophobicContact CD1-CE2 3.56Å; L669-F708 HydrophobicContact CD1-CZ 3.91Å; L669-V710 HydrophobicContact CD2-CG2 4.42Å
670L97.1Very high95.9Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-110.3141.6170.7-51.7179.9000109.4F543 T634 F639 V658 Y659 M672 A676 L677F543-L670 HydrophobicContact CD1-CD1 4.08Å; T634-L670 HydrophobicContact CG2-CD2 4.24Å; F639-L670 HydrophobicContact CE1-CD1 3.67Å; F639-L670 HydrophobicContact CE1-CG 4.34Å; F639-L670 HydrophobicContact CZ-CD1 4.1Å; V658-L670 CarbonylContact C-O 3.49Å; V658-L670 WeakPolarHBondContact CA-O 3.39Å; V658-L670 WeakPolarHBondContact CB-O 3.31Å; Y659-L670 PolarHBondContact N-O 3.5Å; Y659-L670 PolarHBondContact O-N 3.21Å; L670-M672 PolarHBondContact O-N 2.83Å; L670-A676 CarbonylContact C-O 3.57Å; L670-A676 VanDerWaalsContact CA-O 3.32Å; L670-A676 WeakPolarHBondContact CA-O 3.45Å; L670-L677 HydrophobicContact CD2-CB 3.94Å; L670-L677 HydrophobicContact CD2-CD1 3.56Å; L670-L677 HydrophobicContact CD2-CG 4.38Å
671N95.4Very high95.8Very high32 Ų3234 Ų3417%0.17118%0.184CC..EExtended strand (participates in β ladder)trans-62.4130.1165.7-179.2-69.8000109.4E673 T674 K675 A676 L678N671-E673 VanDerWaalsContact C-N 3.31Å; N671-E673 PolarHBondContact O-N 2.8Å; N671-E673 WeakPolarHBondContact OD1-CB 3.32Å; N671-E673 PolarHBondContact OD1-N 3.49Å; N671-T674 WeakPolarHBondContact CB-OG1 3.22Å; N671-T674 PolarHBondContact OD1-N 2.81Å; N671-T674 PolarHBondContact OD1-OG1 2.86Å; N671-K675 WeakPolarHBondContact O-CA 3.27Å; N671-K675 PolarHBondContact O-N 2.83Å; N671-A676 PolarHBondContact N-O 2.84Å; N671-L678 HydrophobicContact CB-CD1 4.26Å; N671-L678 HydrophobicContact CB-CD2 4.24Å; N671-L678 HydrophobicContact CB-CG 4.27Å
672M93.7Very high95.7Very high44 Ų4440.9 Ų40.922%0.21721%0.214CC..THydrogen-bonded Turntrans-65.8-33.3-173.4-174173.8-75.900113.1T641 K657 V658 Y659 L670 K675T641-M672 HydrophobicContact CG2-CE 3.78Å; K657-M672 HydrophobicContact CB-CB 3.84Å; K657-M672 HydrophobicContact CB-CE 4.42Å; K657-M672 HydrophobicContact CB-CG 4.48Å; K657-M672 HydrophobicContact CB-SD 3.93Å; K657-M672 HydrophobicContact CD-SD 4.27Å; K657-M672 WeakPolarHBondContact O-CB 3.43Å; K657-M672 PolarHBondContact O-N 2.93Å; V658-M672 WeakPolarHBondContact O-CE 3.43Å; Y659-M672 HydrophobicContact CD1-CE 4.44Å; Y659-M672 HydrophobicContact CD2-CB 4.27Å; Y659-M672 HydrophobicContact CD2-CG 4.18Å; Y659-M672 HydrophobicContact CE1-CE 4.33Å; Y659-M672 HydrophobicContact CE2-CB 4.15Å; Y659-M672 HydrophobicContact CE2-CG 3.63Å; L670-M672 PolarHBondContact O-N 2.83Å; M672-K675 PolarHBondContact O-NZ 2.87Å
673E90.3Very high95.5Very high170 Ų17042.1 Ų42.179%0.79422%0.219SC*.THydrogen-bonded Turntrans-81.3-55.3-178.4-174.6176.8-175.500111N671N671-E673 VanDerWaalsContact C-N 3.31Å; N671-E673 PolarHBondContact O-N 2.8Å; N671-E673 WeakPolarHBondContact OD1-CB 3.32Å; N671-E673 PolarHBondContact OD1-N 3.49Å
674T93.1Very high95.2Very high76 Ų7645 Ų4547%0.46625%0.248SC..THydrogen-bonded Turntrans-87.8-13.2-172.766.40000114.1N671 A676N671-T674 WeakPolarHBondContact CB-OG1 3.22Å; N671-T674 PolarHBondContact OD1-N 2.81Å; N671-T674 PolarHBondContact OD1-OG1 2.86Å; T674-A676 PolarHBondContact O-N 3.43Å; T674-A676 VanDerWaalsContact O-N 3.14Å; T674-A676 VanDerWaalsContact OG1-CB 3.32Å; T674-A676 WeakPolarHBondContact OG1-CB 3.33Å; T674-A676 PolarHBondContact OG1-N 3.43Å
675K94.8Very high95Very high36 Ų3645.4 Ų45.416%0.15725%0.252CS..  trans56.316.6-168.5-47.6-66.4-171.5-77.70114G542 F543 T545 T588 Y659 N671 M672G542-K675 WeakPolarHBondContact O-CB 3.47Å; F543-K675 HydrophobicContact CE1-CD 4.42Å; T545-K675 PolarHBondContact OG1-O 2.99Å; T588-K675 HydrophobicContact CG2-CB 4Å; T588-K675 HydrophobicContact CG2-CG 3.81Å; Y659-K675 HydrophobicContact CD2-CD 3.98Å; Y659-K675 HydrophobicContact CE2-CD 3.75Å; Y659-K675 VanDerWaalsContact CE2-CE 3.42Å; N671-K675 WeakPolarHBondContact O-CA 3.27Å; N671-K675 PolarHBondContact O-N 2.83Å; M672-K675 PolarHBondContact O-NZ 2.87Å
676A93.8Very high95Very high45 Ų4543.5 Ų43.537%0.37224%0.244SC..  trans-67.1133.3176.400000110.8L670 N671 T674 L678L670-A676 CarbonylContact C-O 3.57Å; L670-A676 VanDerWaalsContact CA-O 3.32Å; L670-A676 WeakPolarHBondContact CA-O 3.45Å; N671-A676 PolarHBondContact N-O 2.84Å; T674-A676 PolarHBondContact O-N 3.43Å; T674-A676 VanDerWaalsContact O-N 3.14Å; T674-A676 VanDerWaalsContact OG1-CB 3.32Å; T674-A676 WeakPolarHBondContact OG1-CB 3.33Å; T674-A676 PolarHBondContact OG1-N 3.43Å; A676-L678 PolarHBondContact O-N 2.87Å
677L96.3Very high94.8Very high57 Ų5748.5 Ų48.530%0.29827%0.268SS..EExtended strand (participates in β ladder)trans-67.8109.5173.9-175.666.6000110.2T545 P633 H668 L670 L679T545-L677 HydrophobicContact CG2-CB 3.79Å; P633-L677 HydrophobicContact CG-CD2 4.36Å; H668-L677 HydrophobicContact CB-CD1 4.27Å; L670-L677 HydrophobicContact CD2-CB 3.94Å; L670-L677 HydrophobicContact CD2-CD1 3.56Å; L670-L677 HydrophobicContact CD2-CG 4.38Å; L677-L679 VanDerWaalsContact CD1-O 3.28Å; L677-L679 WeakPolarHBondContact CD1-O 3.25Å
678L93.9Very high94.7Very high79 Ų7951.1 Ų51.141%0.41428%0.278SS..EExtended strand (participates in β ladder)trans-82.5-39.8177-59.6178.2000111I644 I656 V658 L669 N671 A676I644-L678 HydrophobicContact CD1-CD1 4.34Å; I656-L678 HydrophobicContact CG2-CD1 4.25Å; V658-L678 HydrophobicContact CG1-CD1 3.69Å; L669-L678 HydrophobicContact CB-CB 4.24Å; L669-L678 PolarHBondContact O-N 3.27Å; N671-L678 HydrophobicContact CB-CD1 4.26Å; N671-L678 HydrophobicContact CB-CD2 4.24Å; N671-L678 HydrophobicContact CB-CG 4.27Å; A676-L678 PolarHBondContact O-N 2.87Å
679L93.5Very high94.5Very high43 Ų4356.6 Ų56.623%0.22530%0.304CS..EExtended strand (participates in β ladder)trans-154.5145-175.9-169.971.9000110.7H668 L669 L677 L681 F708H668-L679 CarbonylContact C-O 3.53Å; H668-L679 WeakPolarHBondContact CA-O 3.4Å; L669-L679 HydrophobicContact CB-CB 4.2Å; L669-L679 HydrophobicContact CD1-CB 4.46Å; L669-L679 HydrophobicContact CD1-CD2 4.48Å; L669-L679 HydrophobicContact CG-CB 4.46Å; L669-L679 PolarHBondContact N-O 3.45Å; L669-L679 PolarHBondContact O-N 2.67Å; L677-L679 VanDerWaalsContact CD1-O 3.28Å; L677-L679 WeakPolarHBondContact CD1-O 3.25Å; L679-L681 HydrophobicContact CD1-CD2 4.1Å; L679-L681 HydrophobicContact CD1-CG 4.43Å; L679-L681 HydrophobicContact CD2-CD1 3.69Å; L679-L681 HydrophobicContact CD2-CD2 4.2Å; L679-L681 HydrophobicContact CD2-CG 3.77Å; L679-L681 HydrophobicContact CG-CD1 4.39Å; L679-L681 HydrophobicContact CG-CD2 4.14Å; L679-L681 HydrophobicContact CG-CG 3.91Å; L679-F708 HydrophobicContact CD2-CD1 4.31Å; L679-F708 HydrophobicContact CD2-CE1 3.24Å; L679-F708 HydrophobicContact CD2-CZ 3.36Å
680S96.3Very high94.3Very high47 Ų4759 Ų5933%0.32932%0.316SS..EExtended strand (participates in β ladder)trans-139.8116.1170.8178.10000109H668H668-S680 PolarHBondContact CE1-OG 3.41Å; H668-S680 VanDerWaalsContact CE1-OG 3.27Å; H668-S680 PolarHBondContact ND1-OG 2.9Å
681L95.6Very high93.7Very high8 Ų859.8 Ų59.84%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-116.6125.2-178.5-60.3176.3000109.3G666 L667 L679 F686 I699 F708G666-L681 CarbonylContact C-O 3.5Å; G666-L681 VanDerWaalsContact CA-O 3.32Å; G666-L681 WeakPolarHBondContact CA-O 3.42Å; L667-L681 PolarHBondContact N-O 3.44Å; L667-L681 PolarHBondContact O-N 2.98Å; L679-L681 HydrophobicContact CD1-CD2 4.1Å; L679-L681 HydrophobicContact CD1-CG 4.43Å; L679-L681 HydrophobicContact CD2-CD1 3.69Å; L679-L681 HydrophobicContact CD2-CD2 4.2Å; L679-L681 HydrophobicContact CD2-CG 3.77Å; L679-L681 HydrophobicContact CG-CD1 4.39Å; L679-L681 HydrophobicContact CG-CD2 4.14Å; L679-L681 HydrophobicContact CG-CG 3.91Å; L681-F686 HydrophobicContact CB-CB 4.34Å; L681-F686 HydrophobicContact CB-CD1 3.49Å; L681-F686 VanDerWaalsContact CB-CD1 3.49Å; L681-F686 HydrophobicContact CB-CE1 3.9Å; L681-F686 HydrophobicContact CB-CG 3.95Å; L681-F686 HydrophobicContact CD1-CB 3.82Å; L681-F686 HydrophobicContact CD1-CD1 4.34Å; L681-F686 HydrophobicContact CD1-CD2 4.32Å; L681-F686 HydrophobicContact CD1-CG 3.92Å; L681-I699 HydrophobicContact CD1-CG2 3.53Å; L681-F708 HydrophobicContact CD1-CE1 4.44Å; L681-F708 HydrophobicContact CD1-CZ 4.47Å
682K95.8Very high93Very high146 Ų14666.2 Ų66.264%0.63536%0.359SS*.EExtended strand (participates in β ladder)trans-82.5149.1175.2-64.9-177.7-179.1179.60110.6K665 C685 F686K665-K682 VanDerWaalsContact O-CA 3.32Å; K665-K682 WeakPolarHBondContact O-CA 3.47Å; K682-C685 WeakPolarHBondContact O-CB 3.48Å; K682-C685 PolarHBondContact O-N 3.27Å; K682-C685 VanDerWaalsContact O-N 3.1Å; K682-F686 WeakPolarHBondContact O-CD1 3.32Å; K682-F686 WeakPolarHBondContact O-CE1 3.42Å
683Y94.8Very high92.2Very high25 Ų2567.2 Ų67.210%0.09838%0.381CS..THydrogen-bonded Turntrans-53.3144.6171.5-69.5-60.8000111.3N663 K665 G666 C685 F686 W688 L722 L725 N726 L729N663-Y683 WeakPolarHBondContact O-CE2 3.46Å; N663-Y683 PolarHBondContact O-OH 2.65Å; K665-Y683 VanDerWaalsContact C-CD2 3.42Å; K665-Y683 WeakPolarHBondContact O-CD2 3.31Å; K665-Y683 PolarHBondContact O-N 2.99Å; G666-Y683 VanDerWaalsContact CA-CE2 3.48Å; G666-Y683 VanDerWaalsContact N-CE2 3.34Å; Y683-C685 VanDerWaalsContact C-N 3.27Å; Y683-C685 PolarHBondContact O-N 2.95Å; Y683-F686 HydrophobicContact CD1-CE1 4.16Å; Y683-F686 HydrophobicContact CD1-CZ 4.1Å; Y683-F686 HydrophobicContact CE1-CZ 4.16Å; Y683-W688 HydrophobicContact CD1-CZ3 4.46Å; Y683-L722 HydrophobicContact CE1-CD2 3.89Å; Y683-L725 HydrophobicContact CE2-CB 4.04Å; Y683-L725 WeakPolarHBondContact OH-CB 3.47Å; Y683-N726 WeakPolarHBondContact CB-OD1 3.46Å; Y683-N726 HydrophobicContact CD1-CB 3.67Å; Y683-N726 WeakPolarHBondContact CD1-OD1 3.19Å; Y683-N726 HydrophobicContact CE1-CB 3.84Å; Y683-N726 HydrophobicContact CG-CB 4.31Å; Y683-L729 HydrophobicContact CD2-CD1 3.34Å; Y683-L729 HydrophobicContact CE2-CD1 4.2Å; Y683-L729 HydrophobicContact CG-CD1 3.84Å
684G91.4Very high92.1Very high60 Ų6063.3 Ų63.362%0.61937%0.365SS*.THydrogen-bonded Turntrans85-19.9-171.400000115.1L702G684-L702 WeakPolarHBondContact O-CD1 3.43Å
685C93.3Very high92Very high31 Ų3163.3 Ų63.321%0.20937%0.365CS..SBendtrans-100.51-178.3-56.90000114.1K682 Y683 L702 E703K682-C685 WeakPolarHBondContact O-CB 3.48Å; K682-C685 PolarHBondContact O-N 3.27Å; K682-C685 VanDerWaalsContact O-N 3.1Å; Y683-C685 VanDerWaalsContact C-N 3.27Å; Y683-C685 PolarHBondContact O-N 2.95Å; C685-L702 WeakPolarHBondContact O-CB 3.22Å; C685-L702 PolarHBondContact O-N 2.86Å; C685-E703 HydrophobicContact CB-CG 4.32Å; C685-E703 PolarHBondContact SG-OE1 3.23Å
686F95.3Very high92Very high7 Ų762.7 Ų62.73%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-151.7157.9179.471.8-77.7000112.3L667 L681 K682 Y683 W688 I699 H700 L722L667-F686 HydrophobicContact CB-CE1 4.36Å; L667-F686 HydrophobicContact CB-CE2 3.95Å; L667-F686 HydrophobicContact CB-CZ 3.68Å; L667-F686 HydrophobicContact CD2-CE2 4.26Å; L681-F686 HydrophobicContact CB-CB 4.34Å; L681-F686 HydrophobicContact CB-CD1 3.49Å; L681-F686 VanDerWaalsContact CB-CD1 3.49Å; L681-F686 HydrophobicContact CB-CE1 3.9Å; L681-F686 HydrophobicContact CB-CG 3.95Å; L681-F686 HydrophobicContact CD1-CB 3.82Å; L681-F686 HydrophobicContact CD1-CD1 4.34Å; L681-F686 HydrophobicContact CD1-CD2 4.32Å; L681-F686 HydrophobicContact CD1-CG 3.92Å; K682-F686 WeakPolarHBondContact O-CD1 3.32Å; K682-F686 WeakPolarHBondContact O-CE1 3.42Å; Y683-F686 HydrophobicContact CD1-CE1 4.16Å; Y683-F686 HydrophobicContact CD1-CZ 4.1Å; Y683-F686 HydrophobicContact CE1-CZ 4.16Å; F686-W688 HydrophobicContact CD2-CE3 4.03Å; F686-W688 AromaticContact CE2-CE3 3.61Å; F686-W688 HydrophobicContact CE2-CE3 3.61Å; F686-W688 HydrophobicContact CE2-CZ3 4.13Å; F686-W688 HydrophobicContact CZ-CE3 4.26Å; F686-W688 HydrophobicContact CZ-CZ3 4.35Å; F686-I699 HydrophobicContact CB-CG2 4.29Å; F686-I699 HydrophobicContact CD2-CD1 4.14Å; F686-I699 HydrophobicContact CD2-CG2 3.99Å; F686-I699 HydrophobicContact CE2-CD1 4.25Å; F686-I699 HydrophobicContact CG-CG2 4.49Å; F686-H700 CarbonylContact C-O 3.53Å; F686-H700 WeakPolarHBondContact CA-O 3.46Å; F686-H700 WeakPolarHBondContact CB-O 3.39Å; F686-L722 HydrophobicContact CE2-CD2 4.2Å; F686-L722 HydrophobicContact CZ-CD2 3.99Å
687M93.5Very high92.1Very high104 Ų10460.5 Ų60.551%0.51235%0.347SS..EExtended strand (participates in β ladder)trans-116.2152.7170.5-59.9-176.1-64.200109.8I699 H700 L702M687-I699 WeakPolarHBondContact O-CA 3.45Å; M687-H700 HydrophobicContact CB-CB 4.43Å; M687-H700 HydrophobicContact CE-CB 4.39Å; M687-H700 PolarHBondContact N-O 2.87Å; M687-H700 PolarHBondContact O-N 3.43Å; M687-L702 HydrophobicContact CE-CD2 3.86Å; M687-L702 HydrophobicContact CG-CD2 4.29Å; M687-L702 HydrophobicContact SD-CD2 4.36Å
688W95.7Very high92Very high56 Ų5660.4 Ų60.421%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-124.4150.8174.859.687.4000110.7Y683 F686 Q698 I699 L722 M723 N726Y683-W688 HydrophobicContact CD1-CZ3 4.46Å; F686-W688 HydrophobicContact CD2-CE3 4.03Å; F686-W688 AromaticContact CE2-CE3 3.61Å; F686-W688 HydrophobicContact CE2-CE3 3.61Å; F686-W688 HydrophobicContact CE2-CZ3 4.13Å; F686-W688 HydrophobicContact CZ-CE3 4.26Å; F686-W688 HydrophobicContact CZ-CZ3 4.35Å; W688-Q698 CarbonylContact C-O 3.56Å; W688-Q698 VanDerWaalsContact CA-O 3.27Å; W688-Q698 WeakPolarHBondContact CA-O 3.43Å; W688-I699 HydrophobicContact CB-CD1 3.58Å; W688-L722 HydrophobicContact CB-CD1 4.21Å; W688-L722 HydrophobicContact CD2-CB 4.1Å; W688-L722 HydrophobicContact CD2-CD1 4.2Å; W688-L722 HydrophobicContact CE3-CB 4.43Å; W688-L722 HydrophobicContact CG-CD1 4.05Å; W688-L722 HydrophobicContact CZ2-CB 4.23Å; W688-M723 HydrophobicContact CZ2-CB 4.48Å; W688-M723 HydrophobicContact CZ2-CG 3.88Å; W688-N726 HydrophobicContact CH2-CB 3.67Å; W688-N726 HydrophobicContact CZ2-CB 4.46Å
689Q93.5Very high92Very high117 Ų11756.6 Ų56.655%0.54733%0.325SS..EExtended strand (participates in β ladder)trans-139.8130173.5-178.2176.6-15.400108.8F697 Q698Q689-F697 CarbonylContact O-C 3.59Å; Q689-F697 VanDerWaalsContact O-CA 3.29Å; Q689-F697 WeakPolarHBondContact O-CA 3.31Å; Q689-F697 WeakPolarHBondContact O-CB 3.25Å; Q689-Q698 PolarHBondContact N-O 3.36Å; Q689-Q698 PolarHBondContact O-N 2.83Å
690L94.1Very high92Very high55 Ų5557.2 Ų57.229%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-72.4131.5172-170.461000108.7D694 A715 V719L690-D694 VanDerWaalsContact CD2-OD1 3.24Å; L690-D694 WeakPolarHBondContact CD2-OD1 3.42Å; L690-A715 HydrophobicContact CD1-CB 3.71Å; L690-V719 HydrophobicContact CB-CG1 4.49Å; L690-V719 HydrophobicContact CB-CG2 4.26Å; L690-V719 HydrophobicContact CD1-CB 4.48Å; L690-V719 HydrophobicContact CD1-CG2 3.98Å
691G84.8Confident91.8Very high18 Ų1855.4 Ų55.419%0.18631%0.314CS..PPolyproline II helixtrans-77.4160.8178.300000112.1G693 D694 C696G691-G693 PolarHBondContact O-N 2.9Å; G691-D694 PolarHBondContact O-N 3.22Å; G691-C696 PolarHBondContact N-O 3.34Å
692D80.3Confident91.3Very high166 Ų16659.5 Ų59.589%0.88834%0.336SS*.THydrogen-bonded Turntrans-60.2128.7177.6-61.8-43.6000110.5
693G77.1Confident90.6Very high65 Ų6558.8 Ų58.867%0.6734%0.335SS*.THydrogen-bonded Turntrans8416.1179.300000116G691 T695G691-G693 PolarHBondContact O-N 2.9Å; G693-T695 WeakPolarHBondContact O-CG2 3.45Å; G693-T695 PolarHBondContact O-N 3.22Å
694D87.4Confident89.8Confident89 Ų8962.9 Ų62.948%0.47636%0.358SS..SBendtrans58.917.7170.5-75.312.8000116L690 G691L690-D694 VanDerWaalsContact CD2-OD1 3.24Å; L690-D694 WeakPolarHBondContact CD2-OD1 3.42Å; G691-D694 PolarHBondContact O-N 3.22Å
695T91.1Very high89.2Confident76 Ų7669.3 Ų69.347%0.46637%0.369SS..SBendtrans-105.1-2.9-177.655.10000114.4G693 T712G693-T695 WeakPolarHBondContact O-CG2 3.45Å; G693-T695 PolarHBondContact O-N 3.22Å; T695-T712 CarbonylContact C-O 3.58Å; T695-T712 WeakPolarHBondContact CA-O 3.4Å; T695-T712 CarbonylContact O-C 3.57Å; T695-T712 PolarHBondContact O-N 3.29Å
696C94.3Very high88.8Confident22 Ų2273.1 Ų73.115%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-155.2164.7175.469.80000111.3G691 I709 V710G691-C696 PolarHBondContact N-O 3.34Å; C696-I709 HydrophobicContact CB-CG2 3.83Å; C696-V710 CarbonylContact C-O 3.53Å; C696-V710 WeakPolarHBondContact CA-O 3.35Å; C696-V710 VanDerWaalsContact CB-O 3.29Å; C696-V710 WeakPolarHBondContact CB-O 3.36Å
697F95.9Very high88.5Confident0 Ų075.5 Ų75.50%040%0.403CS..EExtended strand (participates in β ladder)trans-138.3145.9167.965.1-87.1000109.9V660 L667 Q689 I699 V710 T712 A715 V718 V719V660-F697 HydrophobicContact CG1-CZ 3.87Å; V660-F697 HydrophobicContact CG2-CZ 4.37Å; L667-F697 HydrophobicContact CD2-CE2 4.4Å; Q689-F697 CarbonylContact O-C 3.59Å; Q689-F697 VanDerWaalsContact O-CA 3.29Å; Q689-F697 WeakPolarHBondContact O-CA 3.31Å; Q689-F697 WeakPolarHBondContact O-CB 3.25Å; F697-I699 HydrophobicContact CD2-CD1 3.74Å; F697-I699 HydrophobicContact CD2-CG1 3.86Å; F697-I699 HydrophobicContact CE2-CD1 3.78Å; F697-I699 HydrophobicContact CE2-CG1 3.7Å; F697-V710 HydrophobicContact CD1-CB 4.22Å; F697-V710 HydrophobicContact CE1-CB 3.64Å; F697-V710 HydrophobicContact CE1-CG1 3.85Å; F697-V710 HydrophobicContact CE1-CG2 4.36Å; F697-V710 HydrophobicContact CE2-CB 3.98Å; F697-V710 HydrophobicContact CE2-CG2 3.88Å; F697-V710 HydrophobicContact CZ-CB 3.5Å; F697-V710 VanDerWaalsContact CZ-CB 3.5Å; F697-V710 HydrophobicContact CZ-CG1 3.88Å; F697-V710 HydrophobicContact CZ-CG2 3.69Å; F697-V710 PolarHBondContact N-O 2.81Å; F697-V710 PolarHBondContact O-N 3.24Å; F697-T712 HydrophobicContact CD1-CG2 4.1Å; F697-T712 HydrophobicContact CE1-CG2 3.79Å; F697-A715 HydrophobicContact CB-CB 4.46Å; F697-A715 HydrophobicContact CD1-CB 3.95Å; F697-V718 HydrophobicContact CD1-CB 4.44Å; F697-V718 HydrophobicContact CD1-CG1 4.27Å; F697-V718 HydrophobicContact CE1-CB 4.13Å; F697-V718 HydrophobicContact CE1-CG1 3.77Å; F697-V718 HydrophobicContact CE1-CG2 4.23Å; F697-V718 HydrophobicContact CE2-CG1 4.21Å; F697-V718 HydrophobicContact CZ-CG1 3.75Å; F697-V719 HydrophobicContact CB-CG2 3.86Å; F697-V719 HydrophobicContact CG-CG2 4.36Å
698Q94.3Very high88.4Confident54 Ų5472.2 Ų72.225%0.25239%0.386SS..EExtended strand (participates in β ladder)trans-101.5138.6178.4-170.2172.89.400110.1W688 Q689 H700 I709W688-Q698 CarbonylContact C-O 3.56Å; W688-Q698 VanDerWaalsContact CA-O 3.27Å; W688-Q698 WeakPolarHBondContact CA-O 3.43Å; Q689-Q698 PolarHBondContact N-O 3.36Å; Q689-Q698 PolarHBondContact O-N 2.83Å; Q698-H700 PolarHBondContact NE2-CE1 3.22Å; Q698-H700 PolarHBondContact NE2-NE2 2.96Å; Q698-I709 HydrophobicContact CB-CG1 4.09Å; Q698-I709 HydrophobicContact CG-CG1 3.87Å
699I95Very high88.4Confident0 Ų072.9 Ų72.90%039%0.393CS..EExtended strand (participates in β ladder)trans-115.3134.4173.8-60.4-62.2000109.1L667 L681 F686 M687 W688 F697 S707 F708L667-I699 HydrophobicContact CD2-CD1 3.56Å; L667-I699 HydrophobicContact CD2-CG1 3.62Å; L667-I699 HydrophobicContact CD2-CG2 4.42Å; L681-I699 HydrophobicContact CD1-CG2 3.53Å; F686-I699 HydrophobicContact CB-CG2 4.29Å; F686-I699 HydrophobicContact CD2-CD1 4.14Å; F686-I699 HydrophobicContact CD2-CG2 3.99Å; F686-I699 HydrophobicContact CE2-CD1 4.25Å; F686-I699 HydrophobicContact CG-CG2 4.49Å; M687-I699 WeakPolarHBondContact O-CA 3.45Å; W688-I699 HydrophobicContact CB-CD1 3.58Å; F697-I699 HydrophobicContact CD2-CD1 3.74Å; F697-I699 HydrophobicContact CD2-CG1 3.86Å; F697-I699 HydrophobicContact CE2-CD1 3.78Å; F697-I699 HydrophobicContact CE2-CG1 3.7Å; I699-S707 VanDerWaalsContact O-CA 3.24Å; I699-S707 WeakPolarHBondContact O-CA 3.5Å; I699-F708 HydrophobicContact CB-CD1 4.42Å; I699-F708 HydrophobicContact CB-CD2 4.41Å; I699-F708 HydrophobicContact CB-CE1 3.82Å; I699-F708 HydrophobicContact CB-CE2 3.8Å; I699-F708 HydrophobicContact CB-CZ 3.49Å; I699-F708 VanDerWaalsContact CB-CZ 3.49Å; I699-F708 HydrophobicContact CG1-CE2 3.86Å; I699-F708 HydrophobicContact CG1-CZ 3.84Å; I699-F708 HydrophobicContact CG2-CE1 3.73Å; I699-F708 HydrophobicContact CG2-CE2 4.42Å; I699-F708 HydrophobicContact CG2-CZ 3.61Å; I699-F708 PolarHBondContact N-O 2.95Å; I699-F708 PolarHBondContact O-N 3.49Å; I699-F708 VanDerWaalsContact O-N 3.13Å
700H93.1Very high88.4Confident55 Ų5567.3 Ų67.326%0.25537%0.367SS..EExtended strand (participates in β ladder)trans-117.6110174.6-6293.9000108.8F686 M687 Q698F686-H700 CarbonylContact C-O 3.53Å; F686-H700 WeakPolarHBondContact CA-O 3.46Å; F686-H700 WeakPolarHBondContact CB-O 3.39Å; M687-H700 HydrophobicContact CB-CB 4.43Å; M687-H700 HydrophobicContact CE-CB 4.39Å; M687-H700 PolarHBondContact N-O 2.87Å; M687-H700 PolarHBondContact O-N 3.43Å; Q698-H700 PolarHBondContact NE2-CE1 3.22Å; Q698-H700 PolarHBondContact NE2-NE2 2.96Å
701S90.6Very high88.5Confident10 Ų1068 Ų687%0.0737%0.368CS..EExtended strand (participates in β ladder)trans-75.1126.1172.51750000109.6N704 K705 M706S701-N704 PolarHBondContact OG-N 2.97Å; S701-K705 WeakPolarHBondContact O-CA 3.3Å; S701-K705 PolarHBondContact O-N 2.87Å; S701-M706 WeakPolarHBondContact CB-O 3.3Å; S701-M706 PolarHBondContact N-O 2.82Å
702L86.5Confident89Confident93 Ų9367.8 Ų67.849%0.48736%0.363SS..THydrogen-bonded Turntrans-77-32.8178.9-64.1174.4000111.8G684 C685 M687G684-L702 WeakPolarHBondContact O-CD1 3.43Å; C685-L702 WeakPolarHBondContact O-CB 3.22Å; C685-L702 PolarHBondContact O-N 2.86Å; M687-L702 HydrophobicContact CE-CD2 3.86Å; M687-L702 HydrophobicContact CG-CD2 4.29Å; M687-L702 HydrophobicContact SD-CD2 4.36Å
703E79.9Confident89.6Confident132 Ų13263.7 Ų63.762%0.61734%0.338SS*.THydrogen-bonded Turntrans-73.9-48.6-179.2-65.9176.3175.800111.9C685C685-E703 HydrophobicContact CB-CG 4.32Å; C685-E703 PolarHBondContact SG-OE1 3.23Å
704N77.9Confident90.5Very high111 Ų11160.7 Ų60.759%0.59431%0.306SS*.THydrogen-bonded Turntrans-102.21.1-168.6-64.2-15.5000113.7S701 M706S701-N704 PolarHBondContact OG-N 2.97Å; N704-M706 HydrophobicContact CB-CB 4.47Å; N704-M706 PolarHBondContact O-N 2.78Å
705K79.3Confident90.8Very high195 Ų19556.4 Ų56.485%0.84828%0.283SS*.  trans50.320.9-172.6-59.3-176-179.31790114.2S701S701-K705 WeakPolarHBondContact O-CA 3.3Å; S701-K705 PolarHBondContact O-N 2.87Å
706M85.2Confident90.8Very high111 Ų11153.4 Ų53.455%0.54727%0.267SS..  trans-86.4133.5177.5-172.8-169.9-73.400108.8S701 N704S701-M706 WeakPolarHBondContact CB-O 3.3Å; S701-M706 PolarHBondContact N-O 2.82Å; N704-M706 HydrophobicContact CB-CB 4.47Å; N704-M706 PolarHBondContact O-N 2.78Å
707S89.7Confident90.7Very high57 Ų5755.3 Ų55.340%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-120.3141.5168.466.70000110.9I699I699-S707 VanDerWaalsContact O-CA 3.24Å; I699-S707 WeakPolarHBondContact O-CA 3.5Å
708F91.1Very high90.6Very high35 Ų3555.3 Ų55.315%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-145.2158.2175.162.7-89.1000109.8L669 L679 L681 I699 V710L669-F708 HydrophobicContact CD1-CD2 4.25Å; L669-F708 HydrophobicContact CD1-CE2 3.56Å; L669-F708 HydrophobicContact CD1-CZ 3.91Å; L679-F708 HydrophobicContact CD2-CD1 4.31Å; L679-F708 HydrophobicContact CD2-CE1 3.24Å; L679-F708 HydrophobicContact CD2-CZ 3.36Å; L681-F708 HydrophobicContact CD1-CE1 4.44Å; L681-F708 HydrophobicContact CD1-CZ 4.47Å; I699-F708 HydrophobicContact CB-CD1 4.42Å; I699-F708 HydrophobicContact CB-CD2 4.41Å; I699-F708 HydrophobicContact CB-CE1 3.82Å; I699-F708 HydrophobicContact CB-CE2 3.8Å; I699-F708 HydrophobicContact CB-CZ 3.49Å; I699-F708 VanDerWaalsContact CB-CZ 3.49Å; I699-F708 HydrophobicContact CG1-CE2 3.86Å; I699-F708 HydrophobicContact CG1-CZ 3.84Å; I699-F708 HydrophobicContact CG2-CE1 3.73Å; I699-F708 HydrophobicContact CG2-CE2 4.42Å; I699-F708 HydrophobicContact CG2-CZ 3.61Å; I699-F708 PolarHBondContact N-O 2.95Å; I699-F708 PolarHBondContact O-N 3.49Å; I699-F708 VanDerWaalsContact O-N 3.13Å; F708-V710 HydrophobicContact CD2-CG2 3.87Å; F708-V710 HydrophobicContact CE2-CG2 3.69Å
709I94.2Very high90.5Very high70 Ų7053.3 Ų53.336%0.35927%0.267SS..EExtended strand (participates in β ladder)trans-116133.1179.8-60.9169.1000107.7C696 Q698C696-I709 HydrophobicContact CB-CG2 3.83Å; Q698-I709 HydrophobicContact CB-CG1 4.09Å; Q698-I709 HydrophobicContact CG-CG1 3.87Å
710V95.3Very high90.3Very high0 Ų060 Ų600%030%0.296CS..EExtended strand (participates in β ladder)trans-106.7120.5172-174.20000108.1I644 V658 V660 L669 C696 F697 F708 T712I644-V710 HydrophobicContact CG2-CB 4.4Å; I644-V710 HydrophobicContact CG2-CG1 4.45Å; I644-V710 HydrophobicContact CG2-CG2 3.89Å; V658-V710 HydrophobicContact CG2-CG1 4.33Å; V660-V710 HydrophobicContact CG2-CG1 3.8Å; L669-V710 HydrophobicContact CD2-CG2 4.42Å; C696-V710 CarbonylContact C-O 3.53Å; C696-V710 WeakPolarHBondContact CA-O 3.35Å; C696-V710 VanDerWaalsContact CB-O 3.29Å; C696-V710 WeakPolarHBondContact CB-O 3.36Å; F697-V710 HydrophobicContact CD1-CB 4.22Å; F697-V710 HydrophobicContact CE1-CB 3.64Å; F697-V710 HydrophobicContact CE1-CG1 3.85Å; F697-V710 HydrophobicContact CE1-CG2 4.36Å; F697-V710 HydrophobicContact CE2-CB 3.98Å; F697-V710 HydrophobicContact CE2-CG2 3.88Å; F697-V710 HydrophobicContact CZ-CB 3.5Å; F697-V710 VanDerWaalsContact CZ-CB 3.5Å; F697-V710 HydrophobicContact CZ-CG1 3.88Å; F697-V710 HydrophobicContact CZ-CG2 3.69Å; F697-V710 PolarHBondContact N-O 2.81Å; F697-V710 PolarHBondContact O-N 3.24Å; F708-V710 HydrophobicContact CD2-CG2 3.87Å; F708-V710 HydrophobicContact CE2-CG2 3.69Å; V710-T712 HydrophobicContact CG1-CG2 4.43Å
711H95.1Very high90.3Very high69 Ų6958.4 Ų58.432%0.31929%0.29SS..EExtended strand (participates in β ladder)trans-90.8121.8176.4-64.9-101.1000109.5G642 Q643 F645G642-H711 CarbonylContact C-O 3.57Å; G642-H711 VanDerWaalsContact CA-O 3.28Å; G642-H711 WeakPolarHBondContact CA-O 3.26Å; Q643-H711 PolarHBondContact N-O 3.07Å; Q643-H711 PolarHBondContact O-N 2.89Å; F645-H711 AromaticContact CD2-CD2 3.44Å; F645-H711 VanDerWaalsContact CD2-CD2 3.44Å; F645-H711 WeakPolarHBondContact CD2-CD2 3.06Å; F645-H711 AromaticContact CD2-NE2 3.52Å; F645-H711 HydrophobicContact CE2-CB 4.34Å; F645-H711 AromaticContact CE2-CD2 3.33Å; F645-H711 WeakPolarHBondContact CE2-CD2 3.3Å; F645-H711 AromaticContact CE2-CG 3.7Å; F645-H711 AromaticContact CE2-NE2 3.57Å
712T95.4Very high90.4Very high13 Ų1358 Ų588%0.0829%0.286CS..  trans-165.7139.6178.5178.10000110.8T641 T695 F697 V710 Q714 A715T641-T712 WeakPolarHBondContact O-CB 3.49Å; T641-T712 PolarHBondContact O-OG1 3.29Å; T695-T712 CarbonylContact C-O 3.58Å; T695-T712 WeakPolarHBondContact CA-O 3.4Å; T695-T712 CarbonylContact O-C 3.57Å; T695-T712 PolarHBondContact O-N 3.29Å; F697-T712 HydrophobicContact CD1-CG2 4.1Å; F697-T712 HydrophobicContact CE1-CG2 3.79Å; V710-T712 HydrophobicContact CG1-CG2 4.43Å; T712-Q714 PolarHBondContact O-N 3.02Å; T712-Q714 WeakPolarHBondContact OG1-CB 3.37Å; T712-Q714 PolarHBondContact OG1-N 3.01Å; T712-A715 HydrophobicContact CG2-CB 4.13Å; T712-A715 WeakPolarHBondContact O-CB 3.42Å; T712-A715 PolarHBondContact O-N 3.29Å
713K94.1Very high90.7Very high81 Ų8159 Ų5935%0.35229%0.29SS..THydrogen-bonded Turntrans-64.4-14168.6-75.6173.1157.1-171.10112.9T492 E493 L494 T495 N496 A715T492-K713 PolarHBondContact O-NZ 2.98Å; E493-K713 WeakPolarHBondContact O-CB 3.14Å; E493-K713 WeakPolarHBondContact O-CD 3.44Å; L494-K713 WeakPolarHBondContact O-CB 3.31Å; T495-K713 WeakPolarHBondContact O-CD 3.48Å; T495-K713 PolarHBondContact O-NZ 3.42Å; N496-K713 WeakPolarHBondContact OD1-CD 3.35Å; N496-K713 WeakPolarHBondContact OD1-CE 3.48Å; N496-K713 PolarHBondContact OD1-NZ 3.38Å; K713-A715 VanDerWaalsContact C-N 3.3Å
714Q94.7Very high91.2Very high1 Ų157.9 Ų57.91%0.00528%0.283CS..THydrogen-bonded Turntrans-88.18.8176.6-65.5151.737.900112.7L494 F640 T641 T712 G716 L717 V718L494-Q714 HydrophobicContact CB-CG 4.09Å; L494-Q714 HydrophobicContact CD2-CG 4.46Å; L494-Q714 WeakPolarHBondContact O-CG 3.22Å; L494-Q714 PolarHBondContact O-NE2 3.43Å; F640-Q714 VanDerWaalsContact CA-OE1 3.24Å; F640-Q714 HydrophobicContact CB-CB 4.43Å; F640-Q714 HydrophobicContact CD1-CB 3.94Å; F640-Q714 HydrophobicContact CD1-CG 4.32Å; T641-Q714 PolarHBondContact OG1-NE2 3.07Å; T712-Q714 PolarHBondContact O-N 3.02Å; T712-Q714 WeakPolarHBondContact OG1-CB 3.37Å; T712-Q714 PolarHBondContact OG1-N 3.01Å; Q714-G716 VanDerWaalsContact C-N 3.33Å; Q714-G716 PolarHBondContact O-N 3.27Å; Q714-L717 WeakPolarHBondContact O-CB 3.29Å; Q714-L717 PolarHBondContact O-N 3.08Å; Q714-V718 WeakPolarHBondContact O-CG2 3.46Å; Q714-V718 PolarHBondContact O-N 2.87Å
715A93.8Very high91.8Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-58.7-42.4-170.900000112.7L690 F697 T712 K713 L717 V718 V719L690-A715 HydrophobicContact CD1-CB 3.71Å; F697-A715 HydrophobicContact CB-CB 4.46Å; F697-A715 HydrophobicContact CD1-CB 3.95Å; T712-A715 HydrophobicContact CG2-CB 4.13Å; T712-A715 WeakPolarHBondContact O-CB 3.42Å; T712-A715 PolarHBondContact O-N 3.29Å; K713-A715 VanDerWaalsContact C-N 3.3Å; A715-L717 VanDerWaalsContact C-N 3.32Å; A715-L717 PolarHBondContact O-N 3.19Å; A715-V718 PolarHBondContact O-N 2.67Å; A715-V719 WeakPolarHBondContact O-CG2 3.46Å; A715-V719 PolarHBondContact O-N 3.14Å
716G91.4Very high92.4Very high12 Ų1245.3 Ų45.312%0.12423%0.225CC..Hα-helixtrans-60.5-38.8175.600000113.2Q714 K720Q714-G716 VanDerWaalsContact C-N 3.33Å; Q714-G716 PolarHBondContact O-N 3.27Å; G716-K720 WeakPolarHBondContact O-CB 3.47Å; G716-K720 WeakPolarHBondContact O-CD 3.09Å; G716-K720 WeakPolarHBondContact O-CG 3.39Å; G716-K720 PolarHBondContact O-N 3Å
717L91.8Very high92.2Very high62 Ų6242.2 Ų42.233%0.32522%0.222SC..Hα-helixtrans-68.4-44.4176.6-62.5-179.8000111.7L472 L494 F640 Q714 A715 K720 L721L472-L717 HydrophobicContact CD2-CD1 3.95Å; L494-L717 HydrophobicContact CD1-CD1 3.86Å; L494-L717 HydrophobicContact CD2-CD1 3.78Å; L494-L717 HydrophobicContact CD2-CG 4.42Å; L494-L717 HydrophobicContact CG-CD1 4.48Å; F640-L717 HydrophobicContact CE1-CB 3.91Å; F640-L717 HydrophobicContact CE1-CD1 4.46Å; F640-L717 HydrophobicContact CZ-CB 4.48Å; Q714-L717 WeakPolarHBondContact O-CB 3.29Å; Q714-L717 PolarHBondContact O-N 3.08Å; A715-L717 VanDerWaalsContact C-N 3.32Å; A715-L717 PolarHBondContact O-N 3.19Å; L717-K720 PolarHBondContact O-N 2.85Å; L717-L721 WeakPolarHBondContact O-CB 3.49Å; L717-L721 PolarHBondContact O-N 3.15Å
718V93.5Very high91.8Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-58.7-51.3177.51730000110.5F640 V660 V662 F697 Q714 A715 L721 L722F640-V718 HydrophobicContact CB-CG2 3.88Å; F640-V718 HydrophobicContact CD1-CG2 4Å; F640-V718 HydrophobicContact CD2-CG2 3.58Å; F640-V718 HydrophobicContact CE1-CG2 4.44Å; F640-V718 HydrophobicContact CE2-CG2 4.06Å; F640-V718 HydrophobicContact CG-CG2 3.53Å; F640-V718 HydrophobicContact CZ-CG2 4.46Å; V660-V718 HydrophobicContact CG1-CG1 4.21Å; V662-V718 HydrophobicContact CG2-CG1 4.1Å; F697-V718 HydrophobicContact CD1-CB 4.44Å; F697-V718 HydrophobicContact CD1-CG1 4.27Å; F697-V718 HydrophobicContact CE1-CB 4.13Å; F697-V718 HydrophobicContact CE1-CG1 3.77Å; F697-V718 HydrophobicContact CE1-CG2 4.23Å; F697-V718 HydrophobicContact CE2-CG1 4.21Å; F697-V718 HydrophobicContact CZ-CG1 3.75Å; Q714-V718 WeakPolarHBondContact O-CG2 3.46Å; Q714-V718 PolarHBondContact O-N 2.87Å; A715-V718 PolarHBondContact O-N 2.67Å; V718-L721 PolarHBondContact O-N 3Å; V718-L722 HydrophobicContact CG1-CD1 3.98Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CG 3.3Å; V718-L722 PolarHBondContact O-N 3.07Å
719V93.9Very high90.9Very high13 Ų1346.9 Ų46.98%0.07924%0.24CC..Hα-helixtrans-64.2-43.9-178.6169.60000111.5L690 F697 A715 L721 L722 M723L690-V719 HydrophobicContact CB-CG1 4.49Å; L690-V719 HydrophobicContact CB-CG2 4.26Å; L690-V719 HydrophobicContact CD1-CB 4.48Å; L690-V719 HydrophobicContact CD1-CG2 3.98Å; F697-V719 HydrophobicContact CB-CG2 3.86Å; F697-V719 HydrophobicContact CG-CG2 4.36Å; A715-V719 WeakPolarHBondContact O-CG2 3.46Å; A715-V719 PolarHBondContact O-N 3.14Å; V719-L721 VanDerWaalsContact C-N 3.29Å; V719-L721 PolarHBondContact O-N 2.85Å; V719-L722 PolarHBondContact O-N 3.17Å; V719-M723 HydrophobicContact CG1-SD 4.2Å; V719-M723 WeakPolarHBondContact O-CG 3.37Å; V719-M723 PolarHBondContact O-N 3.37Å
720K90.8Very high89.5Confident139 Ų13949.5 Ų49.560%0.60425%0.253SS*.Hα-helixtrans-59-40.3175.7-76.4171.2-175.6171.70111.8G716 L717 K724G716-K720 WeakPolarHBondContact O-CB 3.47Å; G716-K720 WeakPolarHBondContact O-CD 3.09Å; G716-K720 WeakPolarHBondContact O-CG 3.39Å; G716-K720 PolarHBondContact O-N 3Å; L717-K720 PolarHBondContact O-N 2.85Å; K720-K724 WeakPolarHBondContact O-CB 3.16Å; K720-K724 PolarHBondContact O-N 3.24Å; K720-K724 VanDerWaalsContact O-N 3.11Å
721L92.8Very high87.4Confident23 Ų2354.7 Ų54.712%0.1229%0.286CS..Hα-helixtrans-69.8-44177.9-175.860.6000112V512 A638 F640 V662 L717 V718 V719 M723 K724 L725V512-L721 HydrophobicContact CG1-CD1 3.7Å; V512-L721 HydrophobicContact CG2-CD1 4.46Å; V512-L721 HydrophobicContact CG2-CD2 4.2Å; A638-L721 HydrophobicContact CB-CD2 3.84Å; F640-L721 HydrophobicContact CE2-CD2 3.96Å; F640-L721 HydrophobicContact CZ-CD2 4.08Å; V662-L721 HydrophobicContact CB-CD2 3.83Å; V662-L721 HydrophobicContact CB-CG 4.37Å; V662-L721 HydrophobicContact CG1-CB 4.37Å; V662-L721 HydrophobicContact CG1-CD2 3.77Å; V662-L721 HydrophobicContact CG1-CG 3.76Å; L717-L721 WeakPolarHBondContact O-CB 3.49Å; L717-L721 PolarHBondContact O-N 3.15Å; V718-L721 PolarHBondContact O-N 3Å; V719-L721 VanDerWaalsContact C-N 3.29Å; V719-L721 PolarHBondContact O-N 2.85Å; L721-M723 VanDerWaalsContact C-N 3.31Å; L721-M723 PolarHBondContact O-N 2.89Å; L721-K724 PolarHBondContact O-N 3.4Å; L721-K724 VanDerWaalsContact O-N 3.14Å; L721-L725 HydrophobicContact CD1-CD1 3.86Å; L721-L725 HydrophobicContact CD1-CD2 4.29Å; L721-L725 HydrophobicContact CD1-CG 3.86Å; L721-L725 HydrophobicContact CG-CD1 3.97Å; L721-L725 HydrophobicContact CG-CG 4.28Å; L721-L725 WeakPolarHBondContact O-CG 3.37Å; L721-L725 PolarHBondContact O-N 3.03Å
722L93Very high85.1Confident0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-55.5-46.4174.4-74.8170000111.6V662 L667 Y683 F686 W688 V718 V719 K724 N726V662-L722 HydrophobicContact CG1-CD2 3.77Å; V662-L722 HydrophobicContact CG1-CG 4.14Å; V662-L722 HydrophobicContact CG2-CD2 4.23Å; V662-L722 HydrophobicContact CG2-CG 4.35Å; L667-L722 HydrophobicContact CB-CD2 4.18Å; L667-L722 HydrophobicContact CD1-CD1 4.46Å; L667-L722 HydrophobicContact CD1-CD2 4.29Å; Y683-L722 HydrophobicContact CE1-CD2 3.89Å; F686-L722 HydrophobicContact CE2-CD2 4.2Å; F686-L722 HydrophobicContact CZ-CD2 3.99Å; W688-L722 HydrophobicContact CB-CD1 4.21Å; W688-L722 HydrophobicContact CD2-CB 4.1Å; W688-L722 HydrophobicContact CD2-CD1 4.2Å; W688-L722 HydrophobicContact CE3-CB 4.43Å; W688-L722 HydrophobicContact CG-CD1 4.05Å; W688-L722 HydrophobicContact CZ2-CB 4.23Å; V718-L722 HydrophobicContact CG1-CD1 3.98Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CG 3.3Å; V718-L722 PolarHBondContact O-N 3.07Å; V719-L722 PolarHBondContact O-N 3.17Å; L722-K724 PolarHBondContact O-N 2.98Å; L722-N726 WeakPolarHBondContact O-CB 3.26Å; L722-N726 PolarHBondContact O-N 3.34Å
723M91.6Very high82.6Confident115 Ų11563.6 Ų63.657%0.56734%0.338SS*.Hα-helixtrans-59.8-45.1176.1-69.5177.371.600111.9W688 V719 L721 G727W688-M723 HydrophobicContact CZ2-CB 4.48Å; W688-M723 HydrophobicContact CZ2-CG 3.88Å; V719-M723 HydrophobicContact CG1-SD 4.2Å; V719-M723 WeakPolarHBondContact O-CG 3.37Å; V719-M723 PolarHBondContact O-N 3.37Å; L721-M723 VanDerWaalsContact C-N 3.31Å; L721-M723 PolarHBondContact O-N 2.89Å; M723-G727 PolarHBondContact O-N 2.97Å
724K90.3Very high79.9Confident109 Ų10970.3 Ų70.347%0.47436%0.361SS..Hα-helixtrans-66-43.2-176.6-163.6170.1-143.9-73.70112.6K720 L721 L722 Q728K720-K724 WeakPolarHBondContact O-CB 3.16Å; K720-K724 PolarHBondContact O-N 3.24Å; K720-K724 VanDerWaalsContact O-N 3.11Å; L721-K724 PolarHBondContact O-N 3.4Å; L721-K724 VanDerWaalsContact O-N 3.14Å; L722-K724 PolarHBondContact O-N 2.98Å; K724-Q728 PolarHBondContact O-N 3.38Å
725L91.3Very high77.5Confident1 Ų175.3 Ų75.31%0.00539%0.388CS..Hα-helixtrans-78.3-36-178.3-60.3-175.8000112V512 R513 V662 N663 V664 Y683 L721 G727 Q728V512-L725 HydrophobicContact CG2-CD1 4.28Å; R513-L725 HydrophobicContact CB-CD2 4.24Å; R513-L725 HydrophobicContact CG-CD2 4.03Å; V662-L725 HydrophobicContact CG1-CD1 4.09Å; N663-L725 VanDerWaalsContact O-CD1 3.25Å; N663-L725 WeakPolarHBondContact O-CD1 3.49Å; V664-L725 HydrophobicContact CG1-CD2 4.42Å; Y683-L725 HydrophobicContact CE2-CB 4.04Å; Y683-L725 WeakPolarHBondContact OH-CB 3.47Å; L721-L725 HydrophobicContact CD1-CD1 3.86Å; L721-L725 HydrophobicContact CD1-CD2 4.29Å; L721-L725 HydrophobicContact CD1-CG 3.86Å; L721-L725 HydrophobicContact CG-CD1 3.97Å; L721-L725 HydrophobicContact CG-CG 4.28Å; L721-L725 WeakPolarHBondContact O-CG 3.37Å; L721-L725 PolarHBondContact O-N 3.03Å; L725-G727 VanDerWaalsContact C-N 3.32Å; L725-G727 PolarHBondContact O-N 3.32Å; L725-Q728 PolarHBondContact O-N 3.41Å
726N91.4Very high74.6Confident40 Ų4087.7 Ų87.721%0.21445%0.446CS..Hα-helixtrans-63.9-38.6171.8-172.468.9000111.8Y683 W688 L722 Q728 L729Y683-N726 WeakPolarHBondContact CB-OD1 3.46Å; Y683-N726 HydrophobicContact CD1-CB 3.67Å; Y683-N726 WeakPolarHBondContact CD1-OD1 3.19Å; Y683-N726 HydrophobicContact CE1-CB 3.84Å; Y683-N726 HydrophobicContact CG-CB 4.31Å; W688-N726 HydrophobicContact CH2-CB 3.67Å; W688-N726 HydrophobicContact CZ2-CB 4.46Å; L722-N726 WeakPolarHBondContact O-CB 3.26Å; L722-N726 PolarHBondContact O-N 3.34Å; N726-Q728 PolarHBondContact O-N 3.05Å; N726-L729 PolarHBondContact O-N 3.15Å; N726-L729 VanDerWaalsContact O-N 3.1Å
727G81.2Confident73.8Confident46 Ų4691.5 Ų91.547%0.47446%0.462SS..Hα-helixtrans-62.2-28.2177.600000114.1M723 L725 L729M723-G727 PolarHBondContact O-N 2.97Å; L725-G727 VanDerWaalsContact C-N 3.32Å; L725-G727 PolarHBondContact O-N 3.32Å; G727-L729 VanDerWaalsContact C-N 3.27Å; G727-L729 PolarHBondContact O-N 3.2Å
728Q80.8Confident72.8Confident94 Ų9493.1 Ų93.144%0.43947%0.469SS..THydrogen-bonded Turntrans-71.7-20.3175.4-70.4177-32.900113.4R513 K724 L725 N726R513-Q728 PolarHBondContact O-OE1 3.02Å; K724-Q728 PolarHBondContact O-N 3.38Å; L725-Q728 PolarHBondContact O-N 3.41Å; N726-Q728 PolarHBondContact O-N 3.05Å
729L73.3Confident71.7Confident97 Ų9798.2 Ų98.251%0.50850%0.495SS..THydrogen-bonded Turntrans-91.5-11.8-179.7-68.8165000113Y683 N726 G727Y683-L729 HydrophobicContact CD2-CD1 3.34Å; Y683-L729 HydrophobicContact CE2-CD1 4.2Å; Y683-L729 HydrophobicContact CG-CD1 3.84Å; N726-L729 PolarHBondContact O-N 3.15Å; N726-L729 VanDerWaalsContact O-N 3.1Å; G727-L729 VanDerWaalsContact C-N 3.27Å; G727-L729 PolarHBondContact O-N 3.2Å
730M63.4Low70.4Confident125 Ų125103.2 Ų103.262%0.61652%0.52SS*.SBendtrans-68134177.9-67-63.1-67.400109.3S732M730-S732 PolarHBondContact O-N 3.09Å; M730-S732 VanDerWaalsContact O-N 3.17Å
731P52.8Low69.1Low109 Ų109101 Ų10171%0.70852%0.515SS*.PPolyproline II helixtrans-56.9126.3174.522.5-30.3000108.3E733P731-E733 PolarHBondContact O-N 3.08Å; P731-E733 VanDerWaalsContact O-N 3.08Å
732S46Very low67.5Low101 Ų101106.2 Ų106.271%0.70654%0.541SS*.PPolyproline II helixtrans-50.7119.3171.643.10000107.9M730 R734M730-S732 PolarHBondContact O-N 3.09Å; M730-S732 VanDerWaalsContact O-N 3.17Å; S732-R734 PolarHBondContact O-N 2.68Å
733E42.1Very low65.7Low167 Ų167113.8 Ų113.878%0.7858%0.58SS**  trans-51.5106.1179.6-74.1-177.1160.200108.1P731 N735P731-E733 PolarHBondContact O-N 3.08Å; P731-E733 VanDerWaalsContact O-N 3.08Å; E733-N735 PolarHBondContact O-N 3.1Å
734R38.7Very low63.7Low223 Ų223113.7 Ų113.784%0.84258%0.581SS**  trans-77.5114.3169.8-68-174.8-173.1-175.21.7104.9S732 E736S732-R734 PolarHBondContact O-N 2.68Å; R734-E736 PolarHBondContact O-N 3.15Å
735N43.2Very low61.5Low105 Ų105114.1 Ų114.156%0.56159%0.589SS**  trans-64.2103.8166.3-71.4-19.3000107.4P199 E733P199-N735 WeakPolarHBondContact CB-OD1 3.33Å; P199-N735 PolarHBondContact O-ND2 3.17Å; E733-N735 PolarHBondContact O-N 3.1Å
736E34.1Very low58.8Low261 Ų261124.4 Ų124.4100%1.2264%0.643SS**  trans-90.70157.9-78.6-172.8171.100110.2R734R734-E736 PolarHBondContact O-N 3.15Å

Retrieved 736 of 736 residues in 4584.6 ms (Link to these results)

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