A0A077ZI26_TRITR Loading...

BTB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M77.1Confident93.8Very high181 Ų18191.9 Ų91.989%0.89245%0.449SS*.  0-48.30-157.6-168.4-41.900112.6M4 K5M1-M4 PolarHBondContact O-N 3.46Å; M1-K5 PolarHBondContact O-N 3.4Å
2L90.3Very high94Very high127 Ų12790.5 Ų90.567%0.66546%0.463SS*.Hα-helixtrans-57.3-50-179.9-178.961.6000113M4 K5 L6L2-M4 VanDerWaalsContact C-N 3.29Å; L2-M4 PolarHBondContact O-N 3.05Å; L2-K5 WeakPolarHBondContact O-CA 3.35Å; L2-K5 WeakPolarHBondContact O-CB 3.48Å; L2-K5 PolarHBondContact O-N 2.76Å; L2-L6 HydrophobicContact CG-CD1 4.24Å; L2-L6 PolarHBondContact O-N 3.49Å
3M91.7Very high94.2Very high78 Ų7893.8 Ų93.838%0.38447%0.472SS..Hα-helixtrans-62.3-35.6-176.6-150.861.381.400113.4K5 L6 W7 V33 Y69M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 2.97Å; M3-L6 PolarHBondContact O-N 3.25Å; M3-L6 HydrophobicContact SD-CD1 4.03Å; M3-W7 PolarHBondContact O-N 3.4Å; M3-V33 HydrophobicContact SD-CG2 4.08Å; M3-Y69 HydrophobicContact CG-CD1 4.36Å; M3-Y69 WeakPolarHBondContact CG-O 3.48Å; M3-Y69 HydrophobicContact SD-CD1 4.19Å
4M93Very high94.4Very high113 Ų11393.7 Ų93.756%0.55747%0.469SS*.Hα-helixtrans-66.3-32173.9-169.4174.27500112.6M1 L2 K8M1-M4 PolarHBondContact O-N 3.46Å; L2-M4 VanDerWaalsContact C-N 3.29Å; L2-M4 PolarHBondContact O-N 3.05Å; M4-K8 WeakPolarHBondContact O-CG 3.34Å; M4-K8 PolarHBondContact O-N 3Å
5K95.9Very high94.5Very high121 Ų12196.5 Ų96.553%0.52648%0.48SS..Hα-helixtrans-69.4-46.6172.7-69.6-177.3177.1-177.40110.7M1 L2 M3 W7 K8 M9M1-K5 PolarHBondContact O-N 3.4Å; L2-K5 WeakPolarHBondContact O-CA 3.35Å; L2-K5 WeakPolarHBondContact O-CB 3.48Å; L2-K5 PolarHBondContact O-N 2.76Å; M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 2.97Å; K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.3Å; K5-K8 WeakPolarHBondContact O-CB 3.41Å; K5-K8 PolarHBondContact O-N 3.31Å; K5-K8 VanDerWaalsContact O-N 3.13Å; K5-M9 WeakPolarHBondContact O-CG 3.24Å; K5-M9 PolarHBondContact O-N 3.25Å
6L96.7Very high94.7Very high28 Ų2892.2 Ų92.215%0.14746%0.462CS..Hα-helixtrans-61.6-36.8177.6-66.6171.6000112L2 M3 M9 R10 H30 V33 Y69L2-L6 HydrophobicContact CG-CD1 4.24Å; L2-L6 PolarHBondContact O-N 3.49Å; M3-L6 PolarHBondContact O-N 3.25Å; M3-L6 HydrophobicContact SD-CD1 4.03Å; L6-M9 HydrophobicContact CD2-SD 4.23Å; L6-M9 PolarHBondContact O-N 3.03Å; L6-R10 WeakPolarHBondContact O-CB 3.47Å; L6-R10 PolarHBondContact O-N 2.79Å; L6-H30 PolarHBondContact O-CE1 3.3Å; L6-V33 HydrophobicContact CD1-CG2 3.96Å; L6-Y69 HydrophobicContact CB-CD1 4.26Å; L6-Y69 HydrophobicContact CB-CE1 3.75Å
7W97.4Very high94.9Very high53 Ų5391.1 Ų91.120%0.20146%0.457CS..Hα-helixtrans-62.3-45.7172.5175.8-111.2000112.4M3 K5 M9 R10 C11 Y66 Y69 H70M3-W7 PolarHBondContact O-N 3.4Å; K5-W7 VanDerWaalsContact C-N 3.28Å; K5-W7 PolarHBondContact O-N 3.3Å; W7-M9 VanDerWaalsContact C-N 3.29Å; W7-M9 PolarHBondContact O-N 3.48Å; W7-R10 VanDerWaalsContact CH2-NH1 3.33Å; W7-R10 WeakPolarHBondContact O-CB 3.38Å; W7-R10 PolarHBondContact O-N 2.76Å; W7-R10 VanDerWaalsContact O-N 3.17Å; W7-C11 VanDerWaalsContact CE2-SG 3.55Å; W7-C11 PolarHBondContact O-N 2.77Å; W7-C11 PolarHBondContact O-SG 3.46Å; W7-C11 VanDerWaalsContact O-SG 3.33Å; W7-Y66 AromaticContact CH2-CD2 3.7Å; W7-Y66 HydrophobicContact CH2-CD2 3.7Å; W7-Y66 AromaticContact CZ2-CD2 3.9Å; W7-Y66 HydrophobicContact CZ2-CD2 3.9Å; W7-Y66 HydrophobicContact CZ2-CE2 4.32Å; W7-Y66 HydrophobicContact CZ3-CD2 4.26Å; W7-Y69 HydrophobicContact CB-CD1 4.03Å; W7-Y69 HydrophobicContact CB-CG 4.43Å; W7-Y69 HydrophobicContact CE3-CD1 4.26Å; W7-Y69 AromaticContact CE3-CD2 3.75Å; W7-Y69 HydrophobicContact CE3-CD2 3.75Å; W7-Y69 HydrophobicContact CE3-CE2 4.42Å; W7-Y69 AromaticContact CE3-CG 3.7Å; W7-Y69 HydrophobicContact CE3-CG 3.7Å; W7-Y69 HydrophobicContact CZ3-CD2 4.07Å; W7-Y69 HydrophobicContact CZ3-CG 4.4Å; W7-H70 AromaticContact CD2-CE1 3.44Å; W7-H70 VanDerWaalsContact CD2-CE1 3.44Å; W7-H70 AromaticContact CE2-CE1 3.79Å; W7-H70 AromaticContact CE3-CE1 3.69Å; W7-H70 AromaticContact CG-CE1 3.62Å; W7-H70 AromaticContact CG-NE2 3.95Å
8K97.4Very high95.1Very high137 Ų13786.2 Ų86.260%0.59643%0.433SS*.Hα-helixtrans-60.6-40.4175.5-72.8178.8179.6-171.40111.9M4 K5 C11 A12M4-K8 WeakPolarHBondContact O-CG 3.34Å; M4-K8 PolarHBondContact O-N 3Å; K5-K8 WeakPolarHBondContact O-CB 3.41Å; K5-K8 PolarHBondContact O-N 3.31Å; K5-K8 VanDerWaalsContact O-N 3.13Å; K8-C11 PolarHBondContact O-N 3.15Å; K8-A12 PolarHBondContact O-N 3.17Å
9M97.8Very high95.3Very high71 Ų7182.1 Ų82.135%0.3541%0.413SS..Hα-helixtrans-62-44.7174.5-67.5171.8163.700110.9K5 L6 W7 C11 A12 K13 H14K5-M9 WeakPolarHBondContact O-CG 3.24Å; K5-M9 PolarHBondContact O-N 3.25Å; L6-M9 HydrophobicContact CD2-SD 4.23Å; L6-M9 PolarHBondContact O-N 3.03Å; W7-M9 VanDerWaalsContact C-N 3.29Å; W7-M9 PolarHBondContact O-N 3.48Å; M9-C11 PolarHBondContact O-N 2.95Å; M9-A12 CarbonylContact O-C 3.54Å; M9-A12 WeakPolarHBondContact O-CA 3.39Å; M9-A12 PolarHBondContact O-N 3.26Å; M9-A12 VanDerWaalsContact O-N 3.09Å; M9-K13 PolarHBondContact O-N 2.85Å; M9-H14 HydrophobicContact CB-CB 4.27Å; M9-H14 PolarHBondContact O-N 2.66Å
10R97.8Very high95.4Very high22 Ų2278 Ų788%0.08339%0.392CS..Hα-helixtrans-57.1-48.2174.7-173.9-151.2175-116.5-10.5112.1L6 W7 A12 K13 Y28 E62 V65 Y69L6-R10 WeakPolarHBondContact O-CB 3.47Å; L6-R10 PolarHBondContact O-N 2.79Å; W7-R10 VanDerWaalsContact CH2-NH1 3.33Å; W7-R10 WeakPolarHBondContact O-CB 3.38Å; W7-R10 PolarHBondContact O-N 2.76Å; W7-R10 VanDerWaalsContact O-N 3.17Å; R10-A12 PolarHBondContact O-N 3.45Å; R10-K13 WeakPolarHBondContact O-CA 3.26Å; R10-K13 PolarHBondContact O-N 3Å; R10-Y28 WeakPolarHBondContact CG-O 3.41Å; R10-Y28 PolarHBondContact NE-O 3.3Å; R10-Y28 PolarHBondContact NH2-O 3.26Å; R10-E62 IonicContact CZ-OE2 3.29Å; R10-E62 VanDerWaalsContact CZ-OE2 3.29Å; R10-E62 IonicContact NH1-OE2 3.03Å; R10-E62 PolarHBondContact NH1-OE2 2.88Å; R10-E62 IonicContact NH2-OE1 2.94Å; R10-E62 PolarHBondContact NH2-OE1 3.46Å; R10-E62 IonicContact NH2-OE2 2.71Å; R10-E62 PolarHBondContact NH2-OE2 3.34Å; R10-V65 VanDerWaalsContact NE-CG1 3.34Å; R10-Y69 HydrophobicContact CB-CE1 4.5Å; R10-Y69 HydrophobicContact CG-CE2 4.29Å
11C96.3Very high95.6Very high80 Ų8075.3 Ų75.354%0.54138%0.38SS..Hα-helixtrans-59.1-32.5178-66.20000112.4W7 K8 M9 K13W7-C11 VanDerWaalsContact CE2-SG 3.55Å; W7-C11 PolarHBondContact O-N 2.77Å; W7-C11 PolarHBondContact O-SG 3.46Å; W7-C11 VanDerWaalsContact O-SG 3.33Å; K8-C11 PolarHBondContact O-N 3.15Å; M9-C11 PolarHBondContact O-N 2.95Å; C11-K13 VanDerWaalsContact C-N 3.34Å
12A96.8Very high96.5Very high75 Ų7566.7 Ų66.762%0.6234%0.337SS*.THydrogen-bonded Turntrans-87.41.7173.900000113.7K8 M9 R10 H14K8-A12 PolarHBondContact O-N 3.17Å; M9-A12 CarbonylContact O-C 3.54Å; M9-A12 WeakPolarHBondContact O-CA 3.39Å; M9-A12 PolarHBondContact O-N 3.26Å; M9-A12 VanDerWaalsContact O-N 3.09Å; R10-A12 PolarHBondContact O-N 3.45Å; A12-H14 HydrophobicContact CB-CB 4.34Å; A12-H14 PolarHBondContact O-N 3.11Å; A12-H14 VanDerWaalsContact O-N 3.13Å
13K96.2Very high96.4Very high134 Ų13466.5 Ų66.558%0.58334%0.337SS*.THydrogen-bonded Turntrans51.127.2-169.8-57.2-177.6-179.5-176.90113.7M9 R10 C11 Y28M9-K13 PolarHBondContact O-N 2.85Å; R10-K13 WeakPolarHBondContact O-CA 3.26Å; R10-K13 PolarHBondContact O-N 3Å; C11-K13 VanDerWaalsContact C-N 3.34Å; K13-Y28 HydrophobicContact CD-CD2 3.83Å; K13-Y28 HydrophobicContact CD-CE2 4.07Å; K13-Y28 HydrophobicContact CD-CG 4.41Å; K13-Y28 HydrophobicContact CG-CD2 4.3Å
14H97.6Very high96.4Very high92 Ų9265.8 Ų65.843%0.42635%0.35SS..THydrogen-bonded Turntrans-81.5130.8-179.8-176.355.6000109.8M9 A12 C16 H30M9-H14 HydrophobicContact CB-CB 4.27Å; M9-H14 PolarHBondContact O-N 2.66Å; A12-H14 HydrophobicContact CB-CB 4.34Å; A12-H14 PolarHBondContact O-N 3.11Å; A12-H14 VanDerWaalsContact O-N 3.13Å; H14-C16 PolarHBondContact O-N 2.96Å; H14-H30 PolarHBondContact O-NE2 3.27Å
15E95.4Very high96.5Very high136 Ų13664.7 Ų64.764%0.63635%0.346SS*.THydrogen-bonded Turntrans50.926.4179.6-55.4-58.7140.700114.4D17 H30E15-D17 PolarHBondContact O-N 3.12Å; E15-H30 PolarHBondContact O-CD2 3.23Å
16C97.9Very high96.6Very high27 Ų2765.4 Ų65.418%0.18235%0.345CS..  trans-77.6112.8171.9-66.50000108.9H14 Y28 L29H14-C16 PolarHBondContact O-N 2.96Å; C16-Y28 HydrophobicContact CB-CD1 4.35Å; C16-L29 WeakPolarHBondContact CA-O 3.23Å; C16-L29 WeakPolarHBondContact CB-O 3.27Å
17D98.1Very high96.7Very high73 Ų7364.2 Ų64.239%0.3934%0.339SS..  trans-106.15.5-176.657.1-12.5000112.5E15 L29 H30 K31E15-D17 PolarHBondContact O-N 3.12Å; D17-L29 PolarHBondContact N-O 2.92Å; D17-H30 WeakPolarHBondContact OD1-CA 3.23Å; D17-K31 HydrophobicContact CB-CD 4.34Å; D17-K31 HydrophobicContact CB-CG 4.23Å; D17-K31 VanDerWaalsContact CG-CG 3.45Å; D17-K31 WeakPolarHBondContact O-CE 3.44Å; D17-K31 WeakPolarHBondContact OD1-CG 3.5Å; D17-K31 PolarHBondContact OD1-N 2.85Å; D17-K31 WeakPolarHBondContact OD2-CB 3.35Å; D17-K31 WeakPolarHBondContact OD2-CG 3.47Å
18F98.4Very high96.7Very high3 Ų365.3 Ų65.31%0.01334%0.344CS..EExtended strand (participates in β ladder)trans-140.5152.3174.4-162-121.9000111.7F20 L29 K31 A34 I44 R48 D49 L51F18-F20 HydrophobicContact CE1-CD1 4.45Å; F18-F20 AromaticContact CE1-CE1 3.99Å; F18-F20 HydrophobicContact CE1-CE1 3.99Å; F18-F20 HydrophobicContact CE1-CZ 4.14Å; F18-L29 HydrophobicContact CB-CD2 4.27Å; F18-L29 HydrophobicContact CB-CG 4.41Å; F18-L29 HydrophobicContact CD1-CD1 4.49Å; F18-L29 HydrophobicContact CD1-CD2 3.7Å; F18-L29 HydrophobicContact CD1-CG 4.12Å; F18-L29 HydrophobicContact CG-CD2 4.41Å; F18-L29 PolarHBondContact N-O 3.22Å; F18-L29 VanDerWaalsContact N-O 3.17Å; F18-L29 PolarHBondContact O-N 3.3Å; F18-K31 HydrophobicContact CB-CG 3.75Å; F18-K31 HydrophobicContact CD2-CG 4.47Å; F18-K31 HydrophobicContact CG-CG 4.35Å; F18-A34 HydrophobicContact CD1-CB 4.19Å; F18-A34 HydrophobicContact CE1-CB 4.49Å; F18-I44 HydrophobicContact CE2-CG2 4.49Å; F18-I44 HydrophobicContact CZ-CG2 4.24Å; F18-R48 WeakPolarHBondContact CE2-O 3.43Å; F18-D49 CarbonylContact C-O 3.58Å; F18-D49 VanDerWaalsContact CA-O 3.26Å; F18-D49 WeakPolarHBondContact CA-O 3.42Å; F18-D49 WeakPolarHBondContact CD2-O 3.43Å; F18-L51 HydrophobicContact CE1-CB 4.49Å; F18-L51 HydrophobicContact CE2-CB 4.49Å; F18-L51 HydrophobicContact CZ-CB 3.77Å
19C98.2Very high96.8Very high8 Ų858.8 Ų58.85%0.05432%0.316CS..EExtended strand (participates in β ladder)trans-147147.7167.768.50000113.8I27 Y28 D49 E50 L51C19-I27 CarbonylContact C-O 3.46Å; C19-I27 WeakPolarHBondContact CA-O 3.38Å; C19-I27 WeakPolarHBondContact CB-O 3.31Å; C19-Y28 HydrophobicContact CB-CD1 3.92Å; C19-Y28 HydrophobicContact CB-CE1 4.23Å; C19-Y28 HydrophobicContact CB-CG 4.32Å; C19-D49 PolarHBondContact N-O 3.31Å; C19-E50 CarbonylContact O-C 3.57Å; C19-E50 VanDerWaalsContact O-CA 3.28Å; C19-E50 WeakPolarHBondContact O-CA 3.02Å; C19-L51 PolarHBondContact O-N 3.11Å
20F98.5Very high96.8Very high0 Ų055.9 Ų55.90%030%0.301CS..EExtended strand (participates in β ladder)trans-87.2135.8162.4-62-69.3000109.1F18 R26 I27 L29 L41 L51 V53 V61 V65 M68 F86F18-F20 HydrophobicContact CE1-CD1 4.45Å; F18-F20 AromaticContact CE1-CE1 3.99Å; F18-F20 HydrophobicContact CE1-CE1 3.99Å; F18-F20 HydrophobicContact CE1-CZ 4.14Å; F20-R26 WeakPolarHBondContact O-CA 3.29Å; F20-I27 HydrophobicContact CB-CB 4.28Å; F20-I27 PolarHBondContact N-O 3.43Å; F20-I27 PolarHBondContact O-N 3.22Å; F20-L29 HydrophobicContact CD2-CD2 3.82Å; F20-L29 HydrophobicContact CE2-CD1 3.77Å; F20-L29 HydrophobicContact CE2-CD2 3.84Å; F20-L29 HydrophobicContact CE2-CG 4.5Å; F20-L29 HydrophobicContact CZ-CD1 4.46Å; F20-L41 HydrophobicContact CE1-CD2 3.89Å; F20-L41 HydrophobicContact CZ-CD1 4.1Å; F20-L41 HydrophobicContact CZ-CD2 4.02Å; F20-L51 CarbonylContact C-O 3.6Å; F20-L51 WeakPolarHBondContact CA-O 3.12Å; F20-L51 HydrophobicContact CD1-CB 4.19Å; F20-L51 HydrophobicContact CD1-CD2 4.2Å; F20-L51 HydrophobicContact CD1-CG 4.45Å; F20-L51 HydrophobicContact CE1-CD2 3.92Å; F20-V53 HydrophobicContact CB-CG2 3.81Å; F20-V53 HydrophobicContact CD1-CG2 3.6Å; F20-V53 HydrophobicContact CG-CG2 4.06Å; F20-V61 HydrophobicContact CB-CG1 3.79Å; F20-V61 HydrophobicContact CD2-CG1 3.74Å; F20-V61 HydrophobicContact CG-CG1 3.87Å; F20-V65 HydrophobicContact CD2-CG2 3.79Å; F20-V65 HydrophobicContact CE2-CG2 3.7Å; F20-M68 HydrophobicContact CE2-CE 4.25Å; F20-M68 HydrophobicContact CZ-CE 4.17Å; F20-F86 HydrophobicContact CE1-CE2 4.25Å; F20-F86 HydrophobicContact CE1-CZ 4.13Å; F20-F86 HydrophobicContact CE2-CE2 4.49Å; F20-F86 HydrophobicContact CE2-CZ 4.05Å; F20-F86 HydrophobicContact CZ-CE2 4.25Å; F20-F86 AromaticContact CZ-CZ 3.75Å; F20-F86 HydrophobicContact CZ-CZ 3.75Å
21V98.1Very high96.8Very high22 Ų2256.9 Ų56.913%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-110108.7176.9-172.50000108.1N25 R26 E50 L51 E52 V53V21-N25 WeakPolarHBondContact CA-O 3.18Å; V21-R26 HydrophobicContact CG2-CG 4.34Å; V21-E50 HydrophobicContact CG2-CB 4.06Å; V21-L51 PolarHBondContact N-O 2.71Å; V21-E52 HydrophobicContact CB-CG 4.42Å; V21-E52 CarbonylContact O-C 3.58Å; V21-E52 WeakPolarHBondContact O-CA 3.15Å; V21-V53 PolarHBondContact O-N 3.1Å
22C96Very high96.8Very high0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-123.1114.1-176.5-179.90000109.1G24 N25 V53 I56 S58C22-G24 PolarHBondContact O-N 3.11Å; C22-G24 VanDerWaalsContact O-N 3.14Å; C22-N25 PolarHBondContact N-O 2.99Å; C22-N25 WeakPolarHBondContact O-CA 3.35Å; C22-N25 VanDerWaalsContact O-CB 3.25Å; C22-N25 WeakPolarHBondContact O-CB 3.31Å; C22-N25 PolarHBondContact O-N 3.46Å; C22-V53 HydrophobicContact CB-CB 4.47Å; C22-I56 PolarHBondContact SG-O 2.89Å; C22-S58 VanDerWaalsContact SG-CA 3.52Å; C22-S58 PolarHBondContact SG-N 3.3Å
23D89.8Confident96.9Very high123 Ų12353 Ų5366%0.65828%0.275SS*.THydrogen-bonded Turntrans49.739.6-178.7-57.1-39.6000113.4N25D23-N25 PolarHBondContact O-N 3.43Å
24G91.1Very high96.9Very high63 Ų6346.6 Ų46.665%0.64925%0.247SC*.THydrogen-bonded Turntrans78.7-9.6-175.800000115.3C22C22-G24 PolarHBondContact O-N 3.11Å; C22-G24 VanDerWaalsContact O-N 3.14Å
25N95.6Very high96.9Very high90 Ų9043.5 Ų43.548%0.48124%0.236SC..EExtended strand (participates in β ladder)trans-80.1128.2173.1-63.2-48.2000110.8V21 C22 D23V21-N25 WeakPolarHBondContact CA-O 3.18Å; C22-N25 PolarHBondContact N-O 2.99Å; C22-N25 WeakPolarHBondContact O-CA 3.35Å; C22-N25 VanDerWaalsContact O-CB 3.25Å; C22-N25 WeakPolarHBondContact O-CB 3.31Å; C22-N25 PolarHBondContact O-N 3.46Å; D23-N25 PolarHBondContact O-N 3.43Å
26R97.6Very high97Very high136 Ų13640.7 Ų40.751%0.51324%0.236SC..EExtended strand (participates in β ladder)trans-97.3117.9177-68.6-171.1169.695.1-1.9111.5F20 V21 Y28F20-R26 WeakPolarHBondContact O-CA 3.29Å; V21-R26 HydrophobicContact CG2-CG 4.34Å; R26-Y28 HydrophobicContact CB-CD2 4.33Å; R26-Y28 HydrophobicContact CB-CE2 3.64Å; R26-Y28 WeakPolarHBondContact CD-OH 3.32Å
27I98.1Very high96.9Very high4 Ų440.4 Ų40.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-104.4100.5178.6-63.9168.8000107.9C19 F20 S58 V61 E62 V65C19-I27 CarbonylContact C-O 3.46Å; C19-I27 WeakPolarHBondContact CA-O 3.38Å; C19-I27 WeakPolarHBondContact CB-O 3.31Å; F20-I27 HydrophobicContact CB-CB 4.28Å; F20-I27 PolarHBondContact N-O 3.43Å; F20-I27 PolarHBondContact O-N 3.22Å; I27-S58 WeakPolarHBondContact CD1-O 3.21Å; I27-V61 HydrophobicContact CD1-CB 3.58Å; I27-V61 HydrophobicContact CD1-CG1 3.55Å; I27-V61 HydrophobicContact CG2-CG1 4.37Å; I27-E62 HydrophobicContact CD1-CG 3.98Å; I27-E62 HydrophobicContact CG1-CG 4.14Å; I27-E62 HydrophobicContact CG2-CG 4.34Å; I27-E62 WeakPolarHBondContact CG2-OE1 3.35Å; I27-V65 HydrophobicContact CG2-CB 4.49Å; I27-V65 HydrophobicContact CG2-CG2 3.9Å
28Y98.3Very high97Very high75 Ų7537.2 Ų37.229%0.29422%0.217SC..EExtended strand (participates in β ladder)trans-79.9144.5-174.9-66-88.2000112.3R10 K13 C16 C19 R26R10-Y28 WeakPolarHBondContact CG-O 3.41Å; R10-Y28 PolarHBondContact NE-O 3.3Å; R10-Y28 PolarHBondContact NH2-O 3.26Å; K13-Y28 HydrophobicContact CD-CD2 3.83Å; K13-Y28 HydrophobicContact CD-CE2 4.07Å; K13-Y28 HydrophobicContact CD-CG 4.41Å; K13-Y28 HydrophobicContact CG-CD2 4.3Å; C16-Y28 HydrophobicContact CB-CD1 4.35Å; C19-Y28 HydrophobicContact CB-CD1 3.92Å; C19-Y28 HydrophobicContact CB-CE1 4.23Å; C19-Y28 HydrophobicContact CB-CG 4.32Å; R26-Y28 HydrophobicContact CB-CD2 4.33Å; R26-Y28 HydrophobicContact CB-CE2 3.64Å; R26-Y28 WeakPolarHBondContact CD-OH 3.32Å
29L98.3Very high96.9Very high0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-156.9-177.6172.869167.9000110.7C16 D17 F18 F20 A34 V65 M68 Y69C16-L29 WeakPolarHBondContact CA-O 3.23Å; C16-L29 WeakPolarHBondContact CB-O 3.27Å; D17-L29 PolarHBondContact N-O 2.92Å; F18-L29 HydrophobicContact CB-CD2 4.27Å; F18-L29 HydrophobicContact CB-CG 4.41Å; F18-L29 HydrophobicContact CD1-CD1 4.49Å; F18-L29 HydrophobicContact CD1-CD2 3.7Å; F18-L29 HydrophobicContact CD1-CG 4.12Å; F18-L29 HydrophobicContact CG-CD2 4.41Å; F18-L29 PolarHBondContact N-O 3.22Å; F18-L29 VanDerWaalsContact N-O 3.17Å; F18-L29 PolarHBondContact O-N 3.3Å; F20-L29 HydrophobicContact CD2-CD2 3.82Å; F20-L29 HydrophobicContact CE2-CD1 3.77Å; F20-L29 HydrophobicContact CE2-CD2 3.84Å; F20-L29 HydrophobicContact CE2-CG 4.5Å; F20-L29 HydrophobicContact CZ-CD1 4.46Å; L29-A34 HydrophobicContact CD1-CB 3.96Å; L29-V65 HydrophobicContact CB-CG1 4.22Å; L29-V65 HydrophobicContact CD1-CG2 4.26Å; L29-M68 HydrophobicContact CD1-SD 3.87Å; L29-Y69 HydrophobicContact CB-CE2 4.11Å
30H98Very high96.9Very high10 Ų1046.1 Ų46.15%0.04626%0.259CS..  trans-101.1136.1177.6-55.769.4000110.1L6 H14 E15 D17 S32 V33 A34 Y69L6-H30 PolarHBondContact O-CE1 3.3Å; H14-H30 PolarHBondContact O-NE2 3.27Å; E15-H30 PolarHBondContact O-CD2 3.23Å; D17-H30 WeakPolarHBondContact OD1-CA 3.23Å; H30-S32 PolarHBondContact O-N 3.15Å; H30-V33 HydrophobicContact CB-CB 4.45Å; H30-V33 HydrophobicContact CB-CG2 4.14Å; H30-V33 WeakPolarHBondContact O-CB 3.39Å; H30-V33 PolarHBondContact O-N 3.49Å; H30-A34 PolarHBondContact O-N 3.24Å; H30-Y69 PolarHBondContact N-OH 3.45Å; H30-Y69 VanDerWaalsContact N-OH 3.12Å; H30-Y69 AromaticContact ND1-CZ 3.86Å; H30-Y69 PolarHBondContact ND1-OH 3Å
31K98.2Very high96.9Very high43 Ų4346.1 Ų46.119%0.18726%0.259CS..Hα-helixtrans-53.9-38.7175.3-69-174.8-178.6-161.40111.7D17 F18 V33 A34 S35 S45 D49D17-K31 HydrophobicContact CB-CD 4.34Å; D17-K31 HydrophobicContact CB-CG 4.23Å; D17-K31 VanDerWaalsContact CG-CG 3.45Å; D17-K31 WeakPolarHBondContact O-CE 3.44Å; D17-K31 WeakPolarHBondContact OD1-CG 3.5Å; D17-K31 PolarHBondContact OD1-N 2.85Å; D17-K31 WeakPolarHBondContact OD2-CB 3.35Å; D17-K31 WeakPolarHBondContact OD2-CG 3.47Å; F18-K31 HydrophobicContact CB-CG 3.75Å; F18-K31 HydrophobicContact CD2-CG 4.47Å; F18-K31 HydrophobicContact CG-CG 4.35Å; K31-V33 VanDerWaalsContact C-N 3.26Å; K31-V33 PolarHBondContact O-N 3.23Å; K31-A34 PolarHBondContact O-N 3.38Å; K31-S35 WeakPolarHBondContact O-CB 3.25Å; K31-S35 PolarHBondContact O-N 2.95Å; K31-S35 PolarHBondContact O-OG 3.43Å; K31-S45 WeakPolarHBondContact CD-O 3.3Å; K31-S45 VanDerWaalsContact CE-O 3.26Å; K31-S45 WeakPolarHBondContact CE-O 3.3Å; K31-S45 PolarHBondContact NZ-O 3.31Å; K31-D49 VanDerWaalsContact CE-OD1 3.23Å; K31-D49 WeakPolarHBondContact CE-OD1 3.31Å; K31-D49 IonicContact NZ-OD1 2.65Å; K31-D49 PolarHBondContact NZ-OD1 3.2Å
32S97Very high96.9Very high71 Ų7149 Ų4950%0.49727%0.272SS..Hα-helixtrans-60-36.5176.856.50000112.6H30 A36H30-S32 PolarHBondContact O-N 3.15Å; S32-A36 VanDerWaalsContact O-CB 3.3Å; S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 3.43Å; S32-A36 VanDerWaalsContact O-N 3.15Å
33V97.9Very high97Very high2 Ų255.3 Ų55.31%0.01230%0.301CS..Hα-helixtrans-76-46.2177.6173.70000110.3M3 L6 H30 K31 S35 A36 T37 M68 Y69M3-V33 HydrophobicContact SD-CG2 4.08Å; L6-V33 HydrophobicContact CD1-CG2 3.96Å; H30-V33 HydrophobicContact CB-CB 4.45Å; H30-V33 HydrophobicContact CB-CG2 4.14Å; H30-V33 WeakPolarHBondContact O-CB 3.39Å; H30-V33 PolarHBondContact O-N 3.49Å; K31-V33 VanDerWaalsContact C-N 3.26Å; K31-V33 PolarHBondContact O-N 3.23Å; V33-S35 PolarHBondContact O-N 2.94Å; V33-A36 PolarHBondContact O-N 2.89Å; V33-T37 WeakPolarHBondContact O-CG2 3.31Å; V33-T37 PolarHBondContact O-N 3.42Å; V33-T37 PolarHBondContact O-OG1 3.02Å; V33-M68 HydrophobicContact CG1-CB 3.82Å; V33-Y69 HydrophobicContact CB-CE1 4.27Å; V33-Y69 HydrophobicContact CB-CE2 4.45Å; V33-Y69 HydrophobicContact CG1-CD1 4.28Å; V33-Y69 HydrophobicContact CG1-CD2 4.05Å; V33-Y69 HydrophobicContact CG1-CE1 4.07Å; V33-Y69 HydrophobicContact CG1-CE2 3.8Å; V33-Y69 HydrophobicContact CG1-CG 4.25Å; V33-Y69 HydrophobicContact CG2-CD1 4.23Å; V33-Y69 HydrophobicContact CG2-CE1 3.58Å
34A97.9Very high97.4Very high0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-58.2-48.7175.900000111.2F18 L29 H30 K31 A36 T37 S38 L41F18-A34 HydrophobicContact CD1-CB 4.19Å; F18-A34 HydrophobicContact CE1-CB 4.49Å; L29-A34 HydrophobicContact CD1-CB 3.96Å; H30-A34 PolarHBondContact O-N 3.24Å; K31-A34 PolarHBondContact O-N 3.38Å; A34-A36 VanDerWaalsContact C-N 3.34Å; A34-A36 PolarHBondContact O-N 3.43Å; A34-T37 PolarHBondContact O-N 2.89Å; A34-T37 VanDerWaalsContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 3.48Å; A34-S38 PolarHBondContact O-N 2.63Å; A34-L41 HydrophobicContact CB-CB 4.2Å; A34-L41 HydrophobicContact CB-CD1 4.44Å
35S97.5Very high97.6Very high27 Ų2748 Ų4819%0.18925%0.247CC..Hα-helixtrans-60.4-39.1179.6-63.60000113.1K31 V33 T37 H42 S45K31-S35 WeakPolarHBondContact O-CB 3.25Å; K31-S35 PolarHBondContact O-N 2.95Å; K31-S35 PolarHBondContact O-OG 3.43Å; V33-S35 PolarHBondContact O-N 2.94Å; S35-T37 PolarHBondContact O-N 3.04Å; S35-H42 VanDerWaalsContact CB-ND1 3.33Å; S35-H42 WeakPolarHBondContact CB-ND1 3.45Å; S35-H42 WeakPolarHBondContact OG-CA 3.29Å; S35-H42 PolarHBondContact OG-ND1 3.48Å; S35-S45 PolarHBondContact OG-OG 3.22Å
36A96.5Very high97.7Very high78 Ų7847.6 Ų47.665%0.64525%0.25SS*.Hα-helixtrans-69.5-15.7179.500000113.4S32 V33 A34S32-A36 VanDerWaalsContact O-CB 3.3Å; S32-A36 WeakPolarHBondContact O-CB 3.45Å; S32-A36 PolarHBondContact O-N 3.43Å; S32-A36 VanDerWaalsContact O-N 3.15Å; V33-A36 PolarHBondContact O-N 2.89Å; A34-A36 VanDerWaalsContact C-N 3.34Å; A34-A36 PolarHBondContact O-N 3.43Å
37T96.9Very high97.6Very high20 Ų2046.7 Ų46.712%0.12326%0.26CS..Hα-helixtrans-104.7-18.6-175610000114.3V33 A34 S35 W67 M68V33-T37 WeakPolarHBondContact O-CG2 3.31Å; V33-T37 PolarHBondContact O-N 3.42Å; V33-T37 PolarHBondContact O-OG1 3.02Å; A34-T37 PolarHBondContact O-N 2.89Å; A34-T37 VanDerWaalsContact O-N 3.1Å; A34-T37 PolarHBondContact O-OG1 3.48Å; S35-T37 PolarHBondContact O-N 3.04Å; T37-W67 HydrophobicContact CG2-CZ3 4.16Å; T37-M68 HydrophobicContact CG2-CB 3.82Å; T37-M68 HydrophobicContact CG2-CG 3.87Å
38S98.2Very high97.6Very high6 Ų653.5 Ų53.54%0.04229%0.285CS..  trans-160127.4-178.7162.50000110.5A34 Y40 L41 H42 Y90 R91A34-S38 PolarHBondContact O-N 2.63Å; S38-Y40 PolarHBondContact O-N 3.2Å; S38-Y40 WeakPolarHBondContact OG-CB 3.04Å; S38-Y40 PolarHBondContact OG-N 3.22Å; S38-Y40 VanDerWaalsContact OG-N 3.16Å; S38-L41 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact OG-N 2.98Å; S38-L41 VanDerWaalsContact OG-N 3.09Å; S38-H42 PolarHBondContact O-N 3.46Å; S38-Y90 WeakPolarHBondContact CB-O 3.46Å; S38-Y90 PolarHBondContact OG-O 3.1Å; S38-R91 WeakPolarHBondContact CB-O 3.47Å; S38-R91 PolarHBondContact OG-O 2.96Å
39D97.8Very high97.6Very high128 Ų12854.9 Ų54.968%0.68430%0.298SS*.Hα-helixtrans-61.1-31.5172.5-71.5-17.6000111.6H42 Q43D39-H42 WeakPolarHBondContact O-CB 3.49Å; D39-H42 PolarHBondContact O-N 3Å; D39-Q43 VanDerWaalsContact O-CG 3.31Å; D39-Q43 WeakPolarHBondContact O-CG 3.38Å; D39-Q43 PolarHBondContact O-N 3.31Å
40Y98.1Very high97.6Very high70 Ų7059.5 Ų59.528%0.27532%0.319SS..Hα-helixtrans-65.9-49174.7178.2-90.5000110.8S38 H42 Q43 I44 Y90S38-Y40 PolarHBondContact O-N 3.2Å; S38-Y40 WeakPolarHBondContact OG-CB 3.04Å; S38-Y40 PolarHBondContact OG-N 3.22Å; S38-Y40 VanDerWaalsContact OG-N 3.16Å; Y40-H42 VanDerWaalsContact C-N 3.26Å; Y40-H42 PolarHBondContact O-N 2.83Å; Y40-Q43 PolarHBondContact O-N 3.31Å; Y40-I44 HydrophobicContact CD1-CG1 4.22Å; Y40-I44 HydrophobicContact CE1-CG1 3.77Å; Y40-I44 HydrophobicContact CE2-CG1 4.45Å; Y40-I44 WeakPolarHBondContact O-CG1 3.44Å; Y40-I44 PolarHBondContact O-N 2.84Å; Y40-Y90 HydrophobicContact CD1-CD1 4.25Å; Y40-Y90 AromaticContact CE1-CD1 3.81Å; Y40-Y90 HydrophobicContact CE1-CD1 3.81Å
41L98.1Very high97.6Very high0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-64.2-34.8176.7-68.3-180000111.6F20 A34 S38 I44 S45 L51 M68 Y90 V92F20-L41 HydrophobicContact CE1-CD2 3.89Å; F20-L41 HydrophobicContact CZ-CD1 4.1Å; F20-L41 HydrophobicContact CZ-CD2 4.02Å; A34-L41 HydrophobicContact CB-CB 4.2Å; A34-L41 HydrophobicContact CB-CD1 4.44Å; S38-L41 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact OG-N 2.98Å; S38-L41 VanDerWaalsContact OG-N 3.09Å; L41-I44 PolarHBondContact O-N 3.28Å; L41-S45 WeakPolarHBondContact O-CB 3.48Å; L41-S45 PolarHBondContact O-N 3.29Å; L41-S45 PolarHBondContact O-OG 3.24Å; L41-S45 VanDerWaalsContact O-OG 3.11Å; L41-L51 HydrophobicContact CD2-CD2 4.04Å; L41-M68 HydrophobicContact CD1-CE 3.59Å; L41-Y90 HydrophobicContact CD2-CD1 4.16Å; L41-Y90 HydrophobicContact CD2-CG 4.33Å; L41-V92 HydrophobicContact CD1-CG2 4.46Å
42H98.3Very high97.6Very high84 Ų8464.1 Ų64.139%0.38934%0.342SS..Hα-helixtrans-55.7-57172.117953.6000111.1S35 S38 D39 Y40 I44 S45 C46S35-H42 VanDerWaalsContact CB-ND1 3.33Å; S35-H42 WeakPolarHBondContact CB-ND1 3.45Å; S35-H42 WeakPolarHBondContact OG-CA 3.29Å; S35-H42 PolarHBondContact OG-ND1 3.48Å; S38-H42 PolarHBondContact O-N 3.46Å; D39-H42 WeakPolarHBondContact O-CB 3.49Å; D39-H42 PolarHBondContact O-N 3Å; Y40-H42 VanDerWaalsContact C-N 3.26Å; Y40-H42 PolarHBondContact O-N 2.83Å; H42-I44 VanDerWaalsContact C-N 3.33Å; H42-I44 PolarHBondContact O-N 3.4Å; H42-S45 PolarHBondContact O-N 2.95Å; H42-S45 PolarHBondContact O-OG 3.2Å; H42-C46 PolarHBondContact O-N 3.48Å; H42-C46 VanDerWaalsContact O-N 3.09Å; H42-C46 PolarHBondContact O-SG 3.04Å; H42-C46 VanDerWaalsContact O-SG 3.33Å
43Q98.2Very high97.6Very high132 Ų13260.8 Ų60.862%0.61732%0.318SS*.Hα-helixtrans-57.1-44.2-179-71.1172.516.400112.4D39 Y40 C46D39-Q43 VanDerWaalsContact O-CG 3.31Å; D39-Q43 WeakPolarHBondContact O-CG 3.38Å; D39-Q43 PolarHBondContact O-N 3.31Å; Y40-Q43 PolarHBondContact O-N 3.31Å; Q43-C46 PolarHBondContact O-N 2.92Å
44I97.5Very high97.5Very high30 Ų3065.6 Ų65.615%0.15434%0.344CS..Hα-helixtrans-65.4-46.2178.4-65.1-61.2000111.1F18 Y40 L41 H42 C46 V47 R48 L51F18-I44 HydrophobicContact CE2-CG2 4.49Å; F18-I44 HydrophobicContact CZ-CG2 4.24Å; Y40-I44 HydrophobicContact CD1-CG1 4.22Å; Y40-I44 HydrophobicContact CE1-CG1 3.77Å; Y40-I44 HydrophobicContact CE2-CG1 4.45Å; Y40-I44 WeakPolarHBondContact O-CG1 3.44Å; Y40-I44 PolarHBondContact O-N 2.84Å; L41-I44 PolarHBondContact O-N 3.28Å; H42-I44 VanDerWaalsContact C-N 3.33Å; H42-I44 PolarHBondContact O-N 3.4Å; I44-C46 PolarHBondContact O-N 3.14Å; I44-V47 WeakPolarHBondContact O-CG2 3.12Å; I44-V47 PolarHBondContact O-N 2.97Å; I44-V47 VanDerWaalsContact O-N 3.08Å; I44-R48 PolarHBondContact O-N 3.26Å; I44-L51 HydrophobicContact CG2-CB 4.46Å; I44-L51 HydrophobicContact CG2-CD1 4.16Å; I44-L51 HydrophobicContact CG2-CD2 4.24Å
45S96.8Very high97.4Very high2 Ų268.4 Ų68.41%0.01437%0.373CS..Hα-helixtrans-66.2-22-177.475.40000113.7K31 S35 L41 H42 V47 R48K31-S45 WeakPolarHBondContact CD-O 3.3Å; K31-S45 VanDerWaalsContact CE-O 3.26Å; K31-S45 WeakPolarHBondContact CE-O 3.3Å; K31-S45 PolarHBondContact NZ-O 3.31Å; S35-S45 PolarHBondContact OG-OG 3.22Å; L41-S45 WeakPolarHBondContact O-CB 3.48Å; L41-S45 PolarHBondContact O-N 3.29Å; L41-S45 PolarHBondContact O-OG 3.24Å; L41-S45 VanDerWaalsContact O-OG 3.11Å; H42-S45 PolarHBondContact O-N 2.95Å; H42-S45 PolarHBondContact O-OG 3.2Å; S45-V47 VanDerWaalsContact C-N 3.29Å; S45-V47 PolarHBondContact O-N 2.73Å; S45-R48 CarbonylContact C-O 3.57Å; S45-R48 WeakPolarHBondContact CA-O 3.42Å; S45-R48 VanDerWaalsContact O-O 3.11Å
46C96.2Very high97.3Very high82 Ų8267.2 Ų67.255%0.55436%0.364SS*.Hα-helixtrans-68.5-27173.6-72.90000113.3H42 Q43 I44H42-C46 PolarHBondContact O-N 3.48Å; H42-C46 VanDerWaalsContact O-N 3.09Å; H42-C46 PolarHBondContact O-SG 3.04Å; H42-C46 VanDerWaalsContact O-SG 3.33Å; Q43-C46 PolarHBondContact O-N 2.92Å; I44-C46 PolarHBondContact O-N 3.14Å
47V96.9Very high97.3Very high117 Ų11764.9 Ų64.971%0.70935%0.345SS*.Hα-helixtrans-116.6-10-174.8-63.90000113.7I44 S45I44-V47 WeakPolarHBondContact O-CG2 3.12Å; I44-V47 PolarHBondContact O-N 2.97Å; I44-V47 VanDerWaalsContact O-N 3.08Å; S45-V47 VanDerWaalsContact C-N 3.29Å; S45-V47 PolarHBondContact O-N 2.73Å
48R97.3Very high97.3Very high146 Ų14665.6 Ų65.655%0.55135%0.35SS*.  trans-139.8147.9179.7-65179.3-175.2-166.8-0.1111F18 I44 S45F18-R48 WeakPolarHBondContact CE2-O 3.43Å; I44-R48 PolarHBondContact O-N 3.26Å; S45-R48 CarbonylContact C-O 3.57Å; S45-R48 WeakPolarHBondContact CA-O 3.42Å; S45-R48 VanDerWaalsContact O-O 3.11Å
49D98Very high97.3Very high105 Ų10567.7 Ų67.756%0.56137%0.365SS*.SBendtrans-97.9-8.7173-58.4-21.9000111.6F18 C19 K31F18-D49 CarbonylContact C-O 3.58Å; F18-D49 VanDerWaalsContact CA-O 3.26Å; F18-D49 WeakPolarHBondContact CA-O 3.42Å; F18-D49 WeakPolarHBondContact CD2-O 3.43Å; C19-D49 PolarHBondContact N-O 3.31Å; K31-D49 VanDerWaalsContact CE-OD1 3.23Å; K31-D49 WeakPolarHBondContact CE-OD1 3.31Å; K31-D49 IonicContact NZ-OD1 2.65Å; K31-D49 PolarHBondContact NZ-OD1 3.2Å
50E97.9Very high97.3Very high96 Ų9661.6 Ų61.645%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-140.1147.3177.763.2-174.6-17100112.1C19 V21C19-E50 CarbonylContact O-C 3.57Å; C19-E50 VanDerWaalsContact O-CA 3.28Å; C19-E50 WeakPolarHBondContact O-CA 3.02Å; V21-E50 HydrophobicContact CG2-CB 4.06Å
51L98.1Very high97.3Very high15 Ų1558.3 Ų58.38%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-132118.8175.6179.759.8000110.1F18 C19 F20 V21 L41 I44 Y90F18-L51 HydrophobicContact CE1-CB 4.49Å; F18-L51 HydrophobicContact CE2-CB 4.49Å; F18-L51 HydrophobicContact CZ-CB 3.77Å; C19-L51 PolarHBondContact O-N 3.11Å; F20-L51 CarbonylContact C-O 3.6Å; F20-L51 WeakPolarHBondContact CA-O 3.12Å; F20-L51 HydrophobicContact CD1-CB 4.19Å; F20-L51 HydrophobicContact CD1-CD2 4.2Å; F20-L51 HydrophobicContact CD1-CG 4.45Å; F20-L51 HydrophobicContact CE1-CD2 3.92Å; V21-L51 PolarHBondContact N-O 2.71Å; L41-L51 HydrophobicContact CD2-CD2 4.04Å; I44-L51 HydrophobicContact CG2-CB 4.46Å; I44-L51 HydrophobicContact CG2-CD1 4.16Å; I44-L51 HydrophobicContact CG2-CD2 4.24Å; L51-Y90 HydrophobicContact CD2-CD1 3.8Å; L51-Y90 HydrophobicContact CD2-CE1 3.5Å; L51-Y90 VanDerWaalsContact CD2-CE1 3.5Å; L51-Y90 HydrophobicContact CG-CE1 4.23Å
52E97.7Very high97.2Very high136 Ų13661.6 Ų61.664%0.63634%0.335SS*.EExtended strand (participates in β ladder)trans-67135.2171.9-67.7179.3164.600110.8V21V21-E52 HydrophobicContact CB-CG 4.42Å; V21-E52 CarbonylContact O-C 3.58Å; V21-E52 WeakPolarHBondContact O-CA 3.15Å
53V97.9Very high97.2Very high0 Ų059.5 Ų59.50%033%0.327CS..  trans-127.295-177.8-177.40000108.5F20 V21 C22 I56 V61 Y90F20-V53 HydrophobicContact CB-CG2 3.81Å; F20-V53 HydrophobicContact CD1-CG2 3.6Å; F20-V53 HydrophobicContact CG-CG2 4.06Å; V21-V53 PolarHBondContact O-N 3.1Å; C22-V53 HydrophobicContact CB-CB 4.47Å; V53-I56 HydrophobicContact CG1-CB 3.95Å; V53-I56 HydrophobicContact CG1-CD1 3.95Å; V53-I56 HydrophobicContact CG1-CG1 4.31Å; V53-V61 HydrophobicContact CG1-CG2 3.79Å; V53-Y90 WeakPolarHBondContact CA-OH 3.25Å; V53-Y90 HydrophobicContact CG1-CE2 4.05Å; V53-Y90 WeakPolarHBondContact CG1-OH 3.42Å; V53-Y90 HydrophobicContact CG2-CE2 4.32Å; V53-Y90 WeakPolarHBondContact CG2-OH 3.33Å
54D95.7Very high97.2Very high104 Ų10453.2 Ų53.256%0.55630%0.297SS*.  trans-94.3142.4-178.1-59.3-44.3000112.6I56 R89D54-I56 VanDerWaalsContact C-N 3.3Å; D54-I56 PolarHBondContact O-N 3.47Å; D54-R89 PolarHBondContact O-NH1 3.31Å
55G94.8Very high97.2Very high58 Ų5851.8 Ų51.860%0.59829%0.29SS*.SBendtrans67.726.5172.200000114.7
56I97Very high97.3Very high3 Ų356.3 Ų56.32%0.01531%0.307CS..SBendtrans-134.1129.3171.8-59.8179.1000105.8C22 V53 D54 S58 A60 V61 D82 I85 F86 Y90C22-I56 PolarHBondContact SG-O 2.89Å; V53-I56 HydrophobicContact CG1-CB 3.95Å; V53-I56 HydrophobicContact CG1-CD1 3.95Å; V53-I56 HydrophobicContact CG1-CG1 4.31Å; D54-I56 VanDerWaalsContact C-N 3.3Å; D54-I56 PolarHBondContact O-N 3.47Å; I56-S58 PolarHBondContact O-N 2.63Å; I56-A60 HydrophobicContact CG2-CB 4Å; I56-V61 HydrophobicContact CB-CG2 4.49Å; I56-V61 HydrophobicContact CG2-CG2 3.84Å; I56-D82 HydrophobicContact CG2-CB 3.93Å; I56-I85 HydrophobicContact CD1-CG2 3.92Å; I56-I85 HydrophobicContact CG1-CG2 4.01Å; I56-F86 HydrophobicContact CD1-CB 3.97Å; I56-F86 HydrophobicContact CD1-CD2 4.29Å; I56-F86 HydrophobicContact CG2-CB 4.38Å; I56-Y90 HydrophobicContact CD1-CE2 4.07Å
57A96.5Very high97.4Very high29 Ų2953 Ų5324%0.2428%0.283CS..  trans-60.3140-179.900000112S59 A60 V61 F79 D82A57-S59 PolarHBondContact O-N 2.96Å; A57-S59 VanDerWaalsContact O-N 3.1Å; A57-A60 HydrophobicContact CB-CB 4.5Å; A57-A60 WeakPolarHBondContact O-CA 3.43Å; A57-A60 VanDerWaalsContact O-CB 3.31Å; A57-A60 WeakPolarHBondContact O-CB 3.43Å; A57-A60 PolarHBondContact O-N 3.43Å; A57-V61 PolarHBondContact O-N 3.44Å; A57-F79 HydrophobicContact CB-CD1 4.09Å; A57-F79 HydrophobicContact CB-CE1 4.2Å; A57-D82 WeakPolarHBondContact CB-OD2 3.46Å; A57-D82 PolarHBondContact N-OD2 3.33Å
58S97.2Very high97.4Very high34 Ų3447.9 Ų47.924%0.23825%0.252CS..Hα-helixtrans-55.4-33.7177.658.90000112.6C22 I27 I56 V61 E62C22-S58 VanDerWaalsContact SG-CA 3.52Å; C22-S58 PolarHBondContact SG-N 3.3Å; I27-S58 WeakPolarHBondContact CD1-O 3.21Å; I56-S58 PolarHBondContact O-N 2.63Å; S58-V61 PolarHBondContact O-N 3.48Å; S58-E62 PolarHBondContact O-N 3.43Å
59S96.9Very high97.4Very high51 Ų5141.3 Ų41.336%0.35723%0.227SC..Hα-helixtrans-63.4-39.2174.7-60.20000112.7A57 E62 I63 F79A57-S59 PolarHBondContact O-N 2.96Å; A57-S59 VanDerWaalsContact O-N 3.1Å; S59-E62 PolarHBondContact O-N 3Å; S59-I63 WeakPolarHBondContact O-CD1 3.42Å; S59-I63 VanDerWaalsContact O-CG1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.23Å; S59-F79 VanDerWaalsContact CB-CZ 3.42Å
60A97.7Very high97.3Very high0 Ų039.4 Ų39.40%021%0.214CC..Hα-helixtrans-66.4-40175.900000111.3I56 A57 I63 A64 F79 D82 I83I56-A60 HydrophobicContact CG2-CB 4Å; A57-A60 HydrophobicContact CB-CB 4.5Å; A57-A60 WeakPolarHBondContact O-CA 3.43Å; A57-A60 VanDerWaalsContact O-CB 3.31Å; A57-A60 WeakPolarHBondContact O-CB 3.43Å; A57-A60 PolarHBondContact O-N 3.43Å; A60-I63 PolarHBondContact O-N 3.3Å; A60-A64 PolarHBondContact O-N 3.07Å; A60-F79 HydrophobicContact CB-CB 3.95Å; A60-F79 HydrophobicContact CB-CG 4.5Å; A60-D82 HydrophobicContact CB-CB 3.33Å; A60-I83 HydrophobicContact CB-CG1 4.13Å
61V98.1Very high97.2Very high0 Ų036.8 Ų36.80%021%0.214CC..Hα-helixtrans-63.9-43.2174.8-177.50000110.9F20 I27 V53 I56 A57 S58 I63 A64 V65 F86F20-V61 HydrophobicContact CB-CG1 3.79Å; F20-V61 HydrophobicContact CD2-CG1 3.74Å; F20-V61 HydrophobicContact CG-CG1 3.87Å; I27-V61 HydrophobicContact CD1-CB 3.58Å; I27-V61 HydrophobicContact CD1-CG1 3.55Å; I27-V61 HydrophobicContact CG2-CG1 4.37Å; V53-V61 HydrophobicContact CG1-CG2 3.79Å; I56-V61 HydrophobicContact CB-CG2 4.49Å; I56-V61 HydrophobicContact CG2-CG2 3.84Å; A57-V61 PolarHBondContact O-N 3.44Å; S58-V61 PolarHBondContact O-N 3.48Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 3Å; V61-A64 PolarHBondContact O-N 2.85Å; V61-V65 HydrophobicContact CG1-CG2 4.5Å; V61-V65 WeakPolarHBondContact O-CG2 2.84Å; V61-V65 PolarHBondContact O-N 3.44Å; V61-F86 HydrophobicContact CB-CE2 4.49Å; V61-F86 HydrophobicContact CG1-CD2 4.48Å; V61-F86 HydrophobicContact CG1-CE2 3.93Å; V61-F86 HydrophobicContact CG2-CD2 4.02Å; V61-F86 HydrophobicContact CG2-CE2 4.25Å
62E97.4Very high97Very high69 Ų6943 Ų4332%0.32224%0.24SC..Hα-helixtrans-59.4-40.1173.1-83.2-69.5166.900112.3R10 I27 S58 S59 V65 Y66R10-E62 IonicContact CZ-OE2 3.29Å; R10-E62 VanDerWaalsContact CZ-OE2 3.29Å; R10-E62 IonicContact NH1-OE2 3.03Å; R10-E62 PolarHBondContact NH1-OE2 2.88Å; R10-E62 IonicContact NH2-OE1 2.94Å; R10-E62 PolarHBondContact NH2-OE1 3.46Å; R10-E62 IonicContact NH2-OE2 2.71Å; R10-E62 PolarHBondContact NH2-OE2 3.34Å; I27-E62 HydrophobicContact CD1-CG 3.98Å; I27-E62 HydrophobicContact CG1-CG 4.14Å; I27-E62 HydrophobicContact CG2-CG 4.34Å; I27-E62 WeakPolarHBondContact CG2-OE1 3.35Å; S58-E62 PolarHBondContact O-N 3.43Å; S59-E62 PolarHBondContact O-N 3Å; E62-V65 PolarHBondContact O-N 3.49Å; E62-Y66 WeakPolarHBondContact O-CB 3.41Å; E62-Y66 PolarHBondContact O-N 2.82Å
63I97.8Very high96.8Very high41 Ų4138 Ų3821%0.2122%0.218CC..Hα-helixtrans-65.8-43.2175.6-68.1163.1000111S59 A60 V61 V65 Y66 W67 V73 F79 I83S59-I63 WeakPolarHBondContact O-CD1 3.42Å; S59-I63 VanDerWaalsContact O-CG1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.23Å; A60-I63 PolarHBondContact O-N 3.3Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 3Å; I63-V65 VanDerWaalsContact C-N 3.34Å; I63-V65 PolarHBondContact O-N 2.96Å; I63-Y66 WeakPolarHBondContact O-CB 3.45Å; I63-Y66 PolarHBondContact O-N 3.41Å; I63-W67 PolarHBondContact O-N 3.27Å; I63-V73 HydrophobicContact CG2-CG2 3.72Å; I63-F79 HydrophobicContact CD1-CB 4.09Å; I63-F79 HydrophobicContact CD1-CD2 3.69Å; I63-F79 HydrophobicContact CD1-CG 4.25Å; I63-I83 HydrophobicContact CB-CD1 4.14Å; I63-I83 HydrophobicContact CB-CG1 4.45Å; I63-I83 HydrophobicContact CD1-CD1 4.17Å; I63-I83 HydrophobicContact CG2-CD1 3.56Å; I63-I83 HydrophobicContact CG2-CG1 4.21Å
64A98.2Very high96.6Very high0 Ų042.8 Ų42.80%024%0.244CC..Hα-helixtrans-62.7-42.2175.900000111.3A60 V61 W67 M68 F86A60-A64 PolarHBondContact O-N 3.07Å; V61-A64 PolarHBondContact O-N 2.85Å; A64-W67 WeakPolarHBondContact O-CB 3.33Å; A64-W67 PolarHBondContact O-N 3.21Å; A64-M68 WeakPolarHBondContact O-CG 3.32Å; A64-M68 PolarHBondContact O-N 3.16Å; A64-F86 HydrophobicContact CB-CD1 3.45Å; A64-F86 VanDerWaalsContact CB-CD1 3.45Å; A64-F86 HydrophobicContact CB-CE1 3.51Å; A64-F86 HydrophobicContact CB-CG 4.02Å; A64-F86 HydrophobicContact CB-CZ 4.1Å
65V98Very high96.6Very high0 Ų038.3 Ų38.30%022%0.22CC..Hα-helixtrans-63.1-44.7173.9172.70000110.9R10 F20 I27 L29 V61 E62 I63 W67 M68 Y69R10-V65 VanDerWaalsContact NE-CG1 3.34Å; F20-V65 HydrophobicContact CD2-CG2 3.79Å; F20-V65 HydrophobicContact CE2-CG2 3.7Å; I27-V65 HydrophobicContact CG2-CB 4.49Å; I27-V65 HydrophobicContact CG2-CG2 3.9Å; L29-V65 HydrophobicContact CB-CG1 4.22Å; L29-V65 HydrophobicContact CD1-CG2 4.26Å; V61-V65 HydrophobicContact CG1-CG2 4.5Å; V61-V65 WeakPolarHBondContact O-CG2 2.84Å; V61-V65 PolarHBondContact O-N 3.44Å; E62-V65 PolarHBondContact O-N 3.49Å; I63-V65 VanDerWaalsContact C-N 3.34Å; I63-V65 PolarHBondContact O-N 2.96Å; V65-W67 PolarHBondContact O-N 3.46Å; V65-M68 HydrophobicContact CG2-SD 4.37Å; V65-M68 WeakPolarHBondContact O-CB 3.33Å; V65-M68 PolarHBondContact O-N 3.27Å; V65-Y69 HydrophobicContact CG1-CD2 4.02Å; V65-Y69 HydrophobicContact CG1-CE2 3.85Å; V65-Y69 VanDerWaalsContact O-CD2 3.29Å; V65-Y69 WeakPolarHBondContact O-CD2 3.48Å; V65-Y69 PolarHBondContact O-N 2.93Å
66Y97.5Very high96.5Very high97 Ų9739.8 Ų39.838%0.3822%0.221SC..Hα-helixtrans-54.7-44.7173.9177.6-88.9000111.2W7 E62 I63 M68 Y69 H70 K72W7-Y66 AromaticContact CH2-CD2 3.7Å; W7-Y66 HydrophobicContact CH2-CD2 3.7Å; W7-Y66 AromaticContact CZ2-CD2 3.9Å; W7-Y66 HydrophobicContact CZ2-CD2 3.9Å; W7-Y66 HydrophobicContact CZ2-CE2 4.32Å; W7-Y66 HydrophobicContact CZ3-CD2 4.26Å; E62-Y66 WeakPolarHBondContact O-CB 3.41Å; E62-Y66 PolarHBondContact O-N 2.82Å; I63-Y66 WeakPolarHBondContact O-CB 3.45Å; I63-Y66 PolarHBondContact O-N 3.41Å; Y66-M68 PolarHBondContact O-N 3.18Å; Y66-Y69 PolarHBondContact O-N 2.85Å; Y66-H70 HydrophobicContact CD1-CB 4.48Å; Y66-H70 AromaticContact CD2-CE1 3.81Å; Y66-H70 AromaticContact CD2-ND1 3.76Å; Y66-H70 HydrophobicContact CE1-CB 4.03Å; Y66-H70 AromaticContact CE2-CE1 3.59Å; Y66-H70 AromaticContact CE2-CG 3.97Å; Y66-H70 AromaticContact CE2-ND1 3.67Å; Y66-H70 AromaticContact CE2-NE2 3.83Å; Y66-H70 AromaticContact CZ-CD2 3.9Å; Y66-H70 AromaticContact CZ-CG 3.76Å; Y66-H70 AromaticContact CZ-ND1 3.91Å; Y66-H70 PolarHBondContact O-N 2.74Å; Y66-H70 VanDerWaalsContact O-N 3.07Å; Y66-H70 PolarHBondContact O-ND1 3.13Å; Y66-K72 WeakPolarHBondContact CD1-O 3.42Å
67W98Very high96.3Very high11 Ų1141.2 Ų41.24%0.04223%0.231CC..Hα-helixtrans-59.7-42.3174.5177.392.4000112T37 I63 A64 V65 Y69 H70 G71 V73 V92 L94 L95 E98T37-W67 HydrophobicContact CG2-CZ3 4.16Å; I63-W67 PolarHBondContact O-N 3.27Å; A64-W67 WeakPolarHBondContact O-CB 3.33Å; A64-W67 PolarHBondContact O-N 3.21Å; V65-W67 PolarHBondContact O-N 3.46Å; W67-Y69 PolarHBondContact O-N 3.19Å; W67-Y69 VanDerWaalsContact O-N 3.16Å; W67-H70 PolarHBondContact O-N 2.99Å; W67-G71 WeakPolarHBondContact O-CA 3.27Å; W67-G71 PolarHBondContact O-N 3.32Å; W67-V73 HydrophobicContact CB-CB 4.18Å; W67-V73 HydrophobicContact CG-CB 4.2Å; W67-V73 HydrophobicContact CG-CG1 4.49Å; W67-V92 HydrophobicContact CE3-CG1 4.06Å; W67-V92 HydrophobicContact CH2-CG1 3.74Å; W67-V92 HydrophobicContact CZ3-CG1 3.27Å; W67-L94 HydrophobicContact CH2-CB 3.73Å; W67-L94 HydrophobicContact CZ2-CB 3.86Å; W67-L95 HydrophobicContact CD2-CB 4.11Å; W67-L95 HydrophobicContact CD2-CD1 4.04Å; W67-L95 HydrophobicContact CD2-CD2 4.34Å; W67-L95 HydrophobicContact CD2-CG 4.39Å; W67-L95 HydrophobicContact CE3-CB 4.13Å; W67-L95 HydrophobicContact CE3-CD2 4.28Å; W67-L95 HydrophobicContact CG-CD1 4.05Å; W67-L95 HydrophobicContact CH2-CB 3.89Å; W67-L95 HydrophobicContact CZ2-CB 3.8Å; W67-L95 HydrophobicContact CZ3-CB 4.04Å; W67-E98 PolarHBondContact NE1-OE1 2.89Å; W67-E98 VanDerWaalsContact NE1-OE1 3.14Å; W67-E98 PolarHBondContact NE1-OE2 3.06Å
68M97.9Very high96.2Very high10 Ų1048 Ų485%0.04926%0.258CS..Hα-helixtrans-56.5-34.2176.7-65.1172.2-176.300112.8F20 L29 V33 T37 L41 A64 V65 Y66 F86 V92F20-M68 HydrophobicContact CE2-CE 4.25Å; F20-M68 HydrophobicContact CZ-CE 4.17Å; L29-M68 HydrophobicContact CD1-SD 3.87Å; V33-M68 HydrophobicContact CG1-CB 3.82Å; T37-M68 HydrophobicContact CG2-CB 3.82Å; T37-M68 HydrophobicContact CG2-CG 3.87Å; L41-M68 HydrophobicContact CD1-CE 3.59Å; A64-M68 WeakPolarHBondContact O-CG 3.32Å; A64-M68 PolarHBondContact O-N 3.16Å; V65-M68 HydrophobicContact CG2-SD 4.37Å; V65-M68 WeakPolarHBondContact O-CB 3.33Å; V65-M68 PolarHBondContact O-N 3.27Å; Y66-M68 PolarHBondContact O-N 3.18Å; M68-F86 HydrophobicContact CE-CE1 3.62Å; M68-F86 HydrophobicContact CE-CZ 3.75Å; M68-V92 HydrophobicContact CE-CG2 4.49Å
69Y97.6Very high96.2Very high8 Ų848.7 Ų48.73%0.03126%0.257CS..Hα-helixtrans-85-22177.6-78.5-86000114.5M3 L6 W7 R10 L29 H30 V33 V65 Y66 W67M3-Y69 HydrophobicContact CG-CD1 4.36Å; M3-Y69 WeakPolarHBondContact CG-O 3.48Å; M3-Y69 HydrophobicContact SD-CD1 4.19Å; L6-Y69 HydrophobicContact CB-CD1 4.26Å; L6-Y69 HydrophobicContact CB-CE1 3.75Å; W7-Y69 HydrophobicContact CB-CD1 4.03Å; W7-Y69 HydrophobicContact CB-CG 4.43Å; W7-Y69 HydrophobicContact CE3-CD1 4.26Å; W7-Y69 AromaticContact CE3-CD2 3.75Å; W7-Y69 HydrophobicContact CE3-CD2 3.75Å; W7-Y69 HydrophobicContact CE3-CE2 4.42Å; W7-Y69 AromaticContact CE3-CG 3.7Å; W7-Y69 HydrophobicContact CE3-CG 3.7Å; W7-Y69 HydrophobicContact CZ3-CD2 4.07Å; W7-Y69 HydrophobicContact CZ3-CG 4.4Å; R10-Y69 HydrophobicContact CB-CE1 4.5Å; R10-Y69 HydrophobicContact CG-CE2 4.29Å; L29-Y69 HydrophobicContact CB-CE2 4.11Å; H30-Y69 PolarHBondContact N-OH 3.45Å; H30-Y69 VanDerWaalsContact N-OH 3.12Å; H30-Y69 AromaticContact ND1-CZ 3.86Å; H30-Y69 PolarHBondContact ND1-OH 3Å; V33-Y69 HydrophobicContact CB-CE1 4.27Å; V33-Y69 HydrophobicContact CB-CE2 4.45Å; V33-Y69 HydrophobicContact CG1-CD1 4.28Å; V33-Y69 HydrophobicContact CG1-CD2 4.05Å; V33-Y69 HydrophobicContact CG1-CE1 4.07Å; V33-Y69 HydrophobicContact CG1-CE2 3.8Å; V33-Y69 HydrophobicContact CG1-CG 4.25Å; V33-Y69 HydrophobicContact CG2-CD1 4.23Å; V33-Y69 HydrophobicContact CG2-CE1 3.58Å; V65-Y69 HydrophobicContact CG1-CD2 4.02Å; V65-Y69 HydrophobicContact CG1-CE2 3.85Å; V65-Y69 VanDerWaalsContact O-CD2 3.29Å; V65-Y69 WeakPolarHBondContact O-CD2 3.48Å; V65-Y69 PolarHBondContact O-N 2.93Å; Y66-Y69 PolarHBondContact O-N 2.85Å; W67-Y69 PolarHBondContact O-N 3.19Å; W67-Y69 VanDerWaalsContact O-N 3.16Å
70H96.2Very high96.2Very high65 Ų6546.9 Ų46.930%0.30124%0.242SC..Hα-helixtrans-122.8-15.9-167.9-62.575.4000113.9W7 Y66 W67 K72W7-H70 AromaticContact CD2-CE1 3.44Å; W7-H70 VanDerWaalsContact CD2-CE1 3.44Å; W7-H70 AromaticContact CE2-CE1 3.79Å; W7-H70 AromaticContact CE3-CE1 3.69Å; W7-H70 AromaticContact CG-CE1 3.62Å; W7-H70 AromaticContact CG-NE2 3.95Å; Y66-H70 HydrophobicContact CD1-CB 4.48Å; Y66-H70 AromaticContact CD2-CE1 3.81Å; Y66-H70 AromaticContact CD2-ND1 3.76Å; Y66-H70 HydrophobicContact CE1-CB 4.03Å; Y66-H70 AromaticContact CE2-CE1 3.59Å; Y66-H70 AromaticContact CE2-CG 3.97Å; Y66-H70 AromaticContact CE2-ND1 3.67Å; Y66-H70 AromaticContact CE2-NE2 3.83Å; Y66-H70 AromaticContact CZ-CD2 3.9Å; Y66-H70 AromaticContact CZ-CG 3.76Å; Y66-H70 AromaticContact CZ-ND1 3.91Å; Y66-H70 PolarHBondContact O-N 2.74Å; Y66-H70 VanDerWaalsContact O-N 3.07Å; Y66-H70 PolarHBondContact O-ND1 3.13Å; W67-H70 PolarHBondContact O-N 2.99Å; H70-K72 HydrophobicContact CB-CB 4.3Å; H70-K72 PolarHBondContact O-N 3.48Å
71G95.7Very high96.1Very high42 Ų4250 Ų5043%0.43326%0.257SS..SBendtrans57.330.7-168.300000112.1W67W67-G71 WeakPolarHBondContact O-CA 3.27Å; W67-G71 PolarHBondContact O-N 3.32Å
72K93.3Very high96.1Very high145 Ų14551.5 Ų51.563%0.6327%0.265SS*.  trans-140.4131.6-176.4-67.8-175.7-177.7-174.50109.9Y66 H70Y66-K72 WeakPolarHBondContact CD1-O 3.42Å; H70-K72 HydrophobicContact CB-CB 4.3Å; H70-K72 PolarHBondContact O-N 3.48Å
73V94.1Very high96.1Very high30 Ų3048.2 Ų48.218%0.18225%0.25CC..  trans-137142.6177.855.90000109.5I63 W67 L75 I83 L95 E98I63-V73 HydrophobicContact CG2-CG2 3.72Å; W67-V73 HydrophobicContact CB-CB 4.18Å; W67-V73 HydrophobicContact CG-CB 4.2Å; W67-V73 HydrophobicContact CG-CG1 4.49Å; V73-L75 HydrophobicContact CB-CD2 4.43Å; V73-L75 HydrophobicContact CG1-CD1 4.12Å; V73-L75 HydrophobicContact CG1-CD2 3.92Å; V73-L75 HydrophobicContact CG1-CG 3.75Å; V73-L75 HydrophobicContact CG2-CD2 3.63Å; V73-L75 HydrophobicContact CG2-CG 4.05Å; V73-I83 HydrophobicContact CG2-CD1 4.42Å; V73-L95 HydrophobicContact CB-CD1 4.49Å; V73-L95 HydrophobicContact CG1-CD1 3.88Å; V73-E98 WeakPolarHBondContact CG1-OE2 3.49Å
74N93.9Very high96.1Very high101 Ų10146.2 Ų46.254%0.5424%0.24SC..  trans-92.4101.1166.5-179.314.2000109S76 C77N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact OD1-N 3.16Å; N74-S76 VanDerWaalsContact OD1-N 3.16Å; N74-S76 PolarHBondContact OD1-OG 2.93Å; N74-C77 PolarHBondContact O-SG 2.84Å
75L95.3Very high96.1Very high11 Ų1147 Ų476%0.05824%0.243CC..  trans-84-4.9-179.3-65.8173.4000113.7V73 C77 F80 I83 I99 Y102V73-L75 HydrophobicContact CB-CD2 4.43Å; V73-L75 HydrophobicContact CG1-CD1 4.12Å; V73-L75 HydrophobicContact CG1-CD2 3.92Å; V73-L75 HydrophobicContact CG1-CG 3.75Å; V73-L75 HydrophobicContact CG2-CD2 3.63Å; V73-L75 HydrophobicContact CG2-CG 4.05Å; L75-C77 PolarHBondContact O-N 2.84Å; L75-F80 HydrophobicContact CB-CD2 3.8Å; L75-F80 HydrophobicContact CB-CE2 3.9Å; L75-F80 HydrophobicContact CD1-CE2 4.36Å; L75-F80 HydrophobicContact CD2-CD2 3.86Å; L75-F80 HydrophobicContact CD2-CE2 3.96Å; L75-F80 HydrophobicContact CG-CD2 4.35Å; L75-F80 HydrophobicContact CG-CE2 4.27Å; L75-F80 WeakPolarHBondContact O-CD2 3.26Å; L75-I83 HydrophobicContact CD2-CG2 4.04Å; L75-I99 HydrophobicContact CD1-CG1 4.16Å; L75-I99 HydrophobicContact CD2-CG1 4.13Å; L75-Y102 HydrophobicContact CB-CD1 3.71Å; L75-Y102 HydrophobicContact CB-CD2 3.88Å; L75-Y102 HydrophobicContact CB-CE1 3.82Å; L75-Y102 HydrophobicContact CB-CE2 4Å; L75-Y102 HydrophobicContact CB-CG 3.74Å; L75-Y102 VanDerWaalsContact CD1-CB 3.5Å; L75-Y102 HydrophobicContact CD1-CD1 4.06Å; L75-Y102 HydrophobicContact CD1-CD2 4.38Å; L75-Y102 HydrophobicContact CD1-CG 3.73Å; L75-Y102 HydrophobicContact CG-CG 4.39Å; L75-Y102 PolarHBondContact O-OH 3.33Å
76S92.1Very high96.1Very high88 Ų8847 Ų4762%0.61524%0.243SC*.SBendtrans-90.133.417373.60000112.5N74N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact OD1-N 3.16Å; N74-S76 VanDerWaalsContact OD1-N 3.16Å; N74-S76 PolarHBondContact OD1-OG 2.93Å
77C92.5Very high96.2Very high33 Ų3342.3 Ų42.322%0.22323%0.225CC..SBendtrans-105.8164.1177.466.90000111.6N74 L75 F79 F80N74-C77 PolarHBondContact O-SG 2.84Å; L75-C77 PolarHBondContact O-N 2.84Å; C77-F79 PolarHBondContact O-N 2.89Å; C77-F79 VanDerWaalsContact O-N 3.16Å; C77-F80 WeakPolarHBondContact O-CB 3.49Å; C77-F80 PolarHBondContact O-N 2.7Å
78E95.3Very high96.1Very high172 Ų17243.5 Ų43.580%0.80423%0.231SC*.THydrogen-bonded Turntrans-61.2-21.3178.466.4-169.1151.100113.7F80E78-F80 VanDerWaalsContact C-N 3.31Å; E78-F80 PolarHBondContact O-N 3.16Å
79F96.6Very high96.1Very high48 Ų4848.1 Ų48.121%0.21125%0.248CC..THydrogen-bonded Turntrans-8910.1179.8-56.5-66000113.8A57 S59 A60 I63 C77 E81 D82 I83A57-F79 HydrophobicContact CB-CD1 4.09Å; A57-F79 HydrophobicContact CB-CE1 4.2Å; S59-F79 VanDerWaalsContact CB-CZ 3.42Å; A60-F79 HydrophobicContact CB-CB 3.95Å; A60-F79 HydrophobicContact CB-CG 4.5Å; I63-F79 HydrophobicContact CD1-CB 4.09Å; I63-F79 HydrophobicContact CD1-CD2 3.69Å; I63-F79 HydrophobicContact CD1-CG 4.25Å; C77-F79 PolarHBondContact O-N 2.89Å; C77-F79 VanDerWaalsContact O-N 3.16Å; F79-E81 VanDerWaalsContact C-N 3.31Å; F79-E81 PolarHBondContact O-N 3.01Å; F79-D82 PolarHBondContact O-N 3.16Å; F79-I83 HydrophobicContact CB-CD1 4.27Å; F79-I83 WeakPolarHBondContact O-CD1 3.49Å; F79-I83 VanDerWaalsContact O-CG1 3.26Å; F79-I83 WeakPolarHBondContact O-CG1 3.31Å; F79-I83 PolarHBondContact O-N 3.36Å
80F96.7Very high96.1Very high13 Ų1348.1 Ų48.16%0.05725%0.248CC..Hα-helixtrans-53.4-45.3-174.4175.8-108.4000113.4L75 C77 E78 I83 C84 I99 Y102 L103 L118L75-F80 HydrophobicContact CB-CD2 3.8Å; L75-F80 HydrophobicContact CB-CE2 3.9Å; L75-F80 HydrophobicContact CD1-CE2 4.36Å; L75-F80 HydrophobicContact CD2-CD2 3.86Å; L75-F80 HydrophobicContact CD2-CE2 3.96Å; L75-F80 HydrophobicContact CG-CD2 4.35Å; L75-F80 HydrophobicContact CG-CE2 4.27Å; L75-F80 WeakPolarHBondContact O-CD2 3.26Å; C77-F80 WeakPolarHBondContact O-CB 3.49Å; C77-F80 PolarHBondContact O-N 2.7Å; E78-F80 VanDerWaalsContact C-N 3.31Å; E78-F80 PolarHBondContact O-N 3.16Å; F80-I83 PolarHBondContact O-N 2.84Å; F80-C84 VanDerWaalsContact CZ-SG 3.6Å; F80-C84 PolarHBondContact O-N 3.43Å; F80-C84 PolarHBondContact O-SG 3.26Å; F80-I99 HydrophobicContact CE2-CG2 4.39Å; F80-I99 HydrophobicContact CZ-CG2 4.19Å; F80-Y102 HydrophobicContact CD2-CD1 4.36Å; F80-Y102 HydrophobicContact CD2-CE1 4.1Å; F80-Y102 AromaticContact CE2-CD1 3.54Å; F80-Y102 HydrophobicContact CE2-CD1 3.54Å; F80-Y102 AromaticContact CE2-CE1 3.67Å; F80-Y102 HydrophobicContact CE2-CE1 3.67Å; F80-Y102 AromaticContact CZ-CD1 3.82Å; F80-Y102 HydrophobicContact CZ-CD1 3.82Å; F80-Y102 AromaticContact CZ-CE1 3.93Å; F80-Y102 HydrophobicContact CZ-CE1 3.93Å; F80-L103 HydrophobicContact CE1-CD2 4.04Å; F80-L103 HydrophobicContact CZ-CD2 3.84Å; F80-L103 HydrophobicContact CZ-CG 4.1Å; F80-L118 HydrophobicContact CD1-CD2 4Å; F80-L118 HydrophobicContact CE1-CD2 3.35Å; F80-L118 HydrophobicContact CZ-CD2 4.2Å
81E96.1Very high96.2Very high65 Ų6552.5 Ų52.530%0.30426%0.262SS..Hα-helixtrans-62.3-47.7179.5171.5163.2-142.400112F79 I83 C84 I85 L118 R121F79-E81 VanDerWaalsContact C-N 3.31Å; F79-E81 PolarHBondContact O-N 3.01Å; E81-I83 VanDerWaalsContact C-N 3.29Å; E81-I83 PolarHBondContact O-N 3.35Å; E81-C84 WeakPolarHBondContact O-CA 3.5Å; E81-C84 WeakPolarHBondContact O-CB 3.26Å; E81-C84 PolarHBondContact O-N 2.7Å; E81-I85 HydrophobicContact CG-CD1 3.96Å; E81-I85 WeakPolarHBondContact O-CG1 3.48Å; E81-I85 PolarHBondContact O-N 3.34Å; E81-L118 HydrophobicContact CB-CD1 4.02Å; E81-L118 HydrophobicContact CG-CD1 3.73Å; E81-R121 WeakPolarHBondContact OE1-CD 3.49Å; E81-R121 IonicContact OE1-CZ 2.63Å; E81-R121 VanDerWaalsContact OE1-CZ 3.26Å; E81-R121 IonicContact OE1-NE 2.63Å; E81-R121 PolarHBondContact OE1-NE 3.32Å; E81-R121 IonicContact OE1-NH1 3.31Å; E81-R121 PolarHBondContact OE1-NH1 2.85Å; E81-R121 IonicContact OE2-NH1 3.26Å; E81-R121 PolarHBondContact OE2-NH1 3.25Å
82D97.3Very high96.3Very high32 Ų3250.5 Ų50.517%0.17124%0.241CC..Hα-helixtrans-63.6-35.3178.3-80.7-2.7000112.3I56 A57 A60 F79 C84 I85 F86I56-D82 HydrophobicContact CG2-CB 3.93Å; A57-D82 WeakPolarHBondContact CB-OD2 3.46Å; A57-D82 PolarHBondContact N-OD2 3.33Å; A60-D82 HydrophobicContact CB-CB 3.33Å; F79-D82 PolarHBondContact O-N 3.16Å; D82-C84 VanDerWaalsContact C-N 3.32Å; D82-I85 PolarHBondContact O-N 3.05Å; D82-F86 WeakPolarHBondContact O-CB 3.19Å; D82-F86 PolarHBondContact O-N 3.43Å
83I98.3Very high96.5Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-63.4-40.4172.7-65.8162000110.4A60 I63 V73 L75 F79 F80 E81 F86 A87 L95A60-I83 HydrophobicContact CB-CG1 4.13Å; I63-I83 HydrophobicContact CB-CD1 4.14Å; I63-I83 HydrophobicContact CB-CG1 4.45Å; I63-I83 HydrophobicContact CD1-CD1 4.17Å; I63-I83 HydrophobicContact CG2-CD1 3.56Å; I63-I83 HydrophobicContact CG2-CG1 4.21Å; V73-I83 HydrophobicContact CG2-CD1 4.42Å; L75-I83 HydrophobicContact CD2-CG2 4.04Å; F79-I83 HydrophobicContact CB-CD1 4.27Å; F79-I83 WeakPolarHBondContact O-CD1 3.49Å; F79-I83 VanDerWaalsContact O-CG1 3.26Å; F79-I83 WeakPolarHBondContact O-CG1 3.31Å; F79-I83 PolarHBondContact O-N 3.36Å; F80-I83 PolarHBondContact O-N 2.84Å; E81-I83 VanDerWaalsContact C-N 3.29Å; E81-I83 PolarHBondContact O-N 3.35Å; I83-F86 PolarHBondContact O-N 3.49Å; I83-A87 WeakPolarHBondContact O-CB 3.18Å; I83-A87 PolarHBondContact O-N 3.4Å; I83-L95 HydrophobicContact CG2-CD2 4.19Å
84C98.1Very high96.7Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-64.1-45.7176.5-63.40000111.7F80 E81 D82 F86 A87 E88 I99 L118 L122F80-C84 VanDerWaalsContact CZ-SG 3.6Å; F80-C84 PolarHBondContact O-N 3.43Å; F80-C84 PolarHBondContact O-SG 3.26Å; E81-C84 WeakPolarHBondContact O-CA 3.5Å; E81-C84 WeakPolarHBondContact O-CB 3.26Å; E81-C84 PolarHBondContact O-N 2.7Å; D82-C84 VanDerWaalsContact C-N 3.32Å; C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 2.87Å; C84-A87 PolarHBondContact O-N 3.21Å; C84-E88 PolarHBondContact O-N 2.96Å; C84-I99 HydrophobicContact CB-CD1 4.39Å; C84-L118 HydrophobicContact CB-CD1 4.05Å; C84-L122 HydrophobicContact CB-CD1 4.1Å; C84-L122 HydrophobicContact CB-CD2 4.3Å
85I97.6Very high96.9Very high15 Ų1548.3 Ų48.38%0.07724%0.235CC..Hα-helixtrans-63.1-42.6178.1-64.4166.5000110.4I56 E81 D82 E88 R89 R121 L122I56-I85 HydrophobicContact CD1-CG2 3.92Å; I56-I85 HydrophobicContact CG1-CG2 4.01Å; E81-I85 HydrophobicContact CG-CD1 3.96Å; E81-I85 WeakPolarHBondContact O-CG1 3.48Å; E81-I85 PolarHBondContact O-N 3.34Å; D82-I85 PolarHBondContact O-N 3.05Å; I85-E88 PolarHBondContact O-N 3Å; I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 3.17Å; I85-R121 VanDerWaalsContact CD1-NH2 3.25Å; I85-L122 HydrophobicContact CG1-CD2 4.29Å
86F98.2Very high97Very high0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-59.1-51.5174.9-178-83.1000111F20 I56 V61 A64 M68 D82 I83 C84 E88 R89 Y90 V92F20-F86 HydrophobicContact CE1-CE2 4.25Å; F20-F86 HydrophobicContact CE1-CZ 4.13Å; F20-F86 HydrophobicContact CE2-CE2 4.49Å; F20-F86 HydrophobicContact CE2-CZ 4.05Å; F20-F86 HydrophobicContact CZ-CE2 4.25Å; F20-F86 AromaticContact CZ-CZ 3.75Å; F20-F86 HydrophobicContact CZ-CZ 3.75Å; I56-F86 HydrophobicContact CD1-CB 3.97Å; I56-F86 HydrophobicContact CD1-CD2 4.29Å; I56-F86 HydrophobicContact CG2-CB 4.38Å; V61-F86 HydrophobicContact CB-CE2 4.49Å; V61-F86 HydrophobicContact CG1-CD2 4.48Å; V61-F86 HydrophobicContact CG1-CE2 3.93Å; V61-F86 HydrophobicContact CG2-CD2 4.02Å; V61-F86 HydrophobicContact CG2-CE2 4.25Å; A64-F86 HydrophobicContact CB-CD1 3.45Å; A64-F86 VanDerWaalsContact CB-CD1 3.45Å; A64-F86 HydrophobicContact CB-CE1 3.51Å; A64-F86 HydrophobicContact CB-CG 4.02Å; A64-F86 HydrophobicContact CB-CZ 4.1Å; M68-F86 HydrophobicContact CE-CE1 3.62Å; M68-F86 HydrophobicContact CE-CZ 3.75Å; D82-F86 WeakPolarHBondContact O-CB 3.19Å; D82-F86 PolarHBondContact O-N 3.43Å; I83-F86 PolarHBondContact O-N 3.49Å; C84-F86 VanDerWaalsContact C-N 3.34Å; C84-F86 PolarHBondContact O-N 2.87Å; F86-E88 VanDerWaalsContact C-N 3.29Å; F86-E88 PolarHBondContact O-N 3.04Å; F86-R89 PolarHBondContact O-N 3.34Å; F86-Y90 HydrophobicContact CB-CD2 4.43Å; F86-Y90 HydrophobicContact CD1-CD2 4.08Å; F86-Y90 AromaticContact CD2-CD2 3.37Å; F86-Y90 HydrophobicContact CD2-CD2 3.37Å; F86-Y90 AromaticContact CD2-CE2 3.47Å; F86-Y90 HydrophobicContact CD2-CE2 3.47Å; F86-Y90 VanDerWaalsContact CD2-CE2 3.47Å; F86-Y90 HydrophobicContact CE1-CD2 4.1Å; F86-Y90 AromaticContact CE2-CD2 3.4Å; F86-Y90 HydrophobicContact CE2-CD2 3.4Å; F86-Y90 AromaticContact CE2-CE2 3.61Å; F86-Y90 HydrophobicContact CE2-CE2 3.61Å; F86-Y90 HydrophobicContact CE2-CG 4.33Å; F86-Y90 AromaticContact CG-CD2 3.72Å; F86-Y90 HydrophobicContact CG-CD2 3.72Å; F86-Y90 HydrophobicContact CG-CE2 4.18Å; F86-Y90 AromaticContact CZ-CD2 3.78Å; F86-Y90 HydrophobicContact CZ-CD2 3.78Å; F86-Y90 HydrophobicContact CZ-CE2 4.42Å; F86-Y90 HydrophobicContact CZ-CG 4.37Å; F86-Y90 WeakPolarHBondContact O-CB 3.42Å; F86-Y90 VanDerWaalsContact O-CD2 3.23Å; F86-Y90 WeakPolarHBondContact O-CD2 3.44Å; F86-Y90 PolarHBondContact O-N 2.89Å; F86-V92 HydrophobicContact CD1-CG2 4.5Å; F86-V92 HydrophobicContact CE1-CG2 4.1Å
87A98.3Very high97.2Very high0 Ų046.7 Ų46.70%022%0.217CC..Hα-helixtrans-60.1-40.2-177.700000111.8I83 C84 R91 V92 L95 L96 I99I83-A87 WeakPolarHBondContact O-CB 3.18Å; I83-A87 PolarHBondContact O-N 3.4Å; C84-A87 PolarHBondContact O-N 3.21Å; A87-R91 CarbonylContact O-C 3.37Å; A87-R91 WeakPolarHBondContact O-CA 3.23Å; A87-R91 PolarHBondContact O-N 3.18Å; A87-V92 HydrophobicContact CB-CB 4.5Å; A87-V92 PolarHBondContact O-N 3.46Å; A87-L95 HydrophobicContact CB-CB 4.25Å; A87-L95 HydrophobicContact CB-CD2 3.79Å; A87-L95 HydrophobicContact CB-CG 3.84Å; A87-L96 HydrophobicContact CB-CD2 3.74Å; A87-L96 HydrophobicContact CB-CG 3.91Å; A87-I99 HydrophobicContact CB-CD1 3.75Å
88E97.9Very high97.5Very high36 Ų3647.2 Ų47.217%0.16822%0.217CC..Hα-helixtrans-71-51177.8-174.4171.8-85.900112.1C84 I85 F86 Y90 R91 L96 L122 T123 N124C84-E88 PolarHBondContact O-N 2.96Å; I85-E88 PolarHBondContact O-N 3Å; F86-E88 VanDerWaalsContact C-N 3.29Å; F86-E88 PolarHBondContact O-N 3.04Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; E88-Y90 PolarHBondContact O-N 3.05Å; E88-R91 PolarHBondContact O-N 3.37Å; E88-L96 HydrophobicContact CB-CD2 4.17Å; E88-L122 HydrophobicContact CB-CD2 4.3Å; E88-L122 WeakPolarHBondContact OE1-CB 3.35Å; E88-L122 WeakPolarHBondContact OE2-CA 3.38Å; E88-T123 PolarHBondContact OE1-N 2.67Å; E88-T123 PolarHBondContact OE1-OG1 3.23Å; E88-T123 PolarHBondContact OE2-N 3.46Å; E88-T123 PolarHBondContact OE2-OG1 2.94Å; E88-N124 VanDerWaalsContact OE1-CB 3.24Å; E88-N124 WeakPolarHBondContact OE1-CB 3.35Å; E88-N124 PolarHBondContact OE1-N 2.83Å
89R97.6Very high97.6Very high106 Ų10639 Ų3940%0.418%0.178SC..Hα-helixtrans-61.8-41-175.9-173.5-178.8-62.6171.51112.1D54 I85 F86D54-R89 PolarHBondContact O-NH1 3.31Å; I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 3.17Å; F86-R89 PolarHBondContact O-N 3.34Å
90Y98Very high97.7Very high9 Ų940.3 Ų40.34%0.03518%0.182CC..THydrogen-bonded Turntrans-98.411.3-178.8-55.9-66.1000113S38 Y40 L41 L51 V53 I56 F86 E88 V92S38-Y90 WeakPolarHBondContact CB-O 3.46Å; S38-Y90 PolarHBondContact OG-O 3.1Å; Y40-Y90 HydrophobicContact CD1-CD1 4.25Å; Y40-Y90 AromaticContact CE1-CD1 3.81Å; Y40-Y90 HydrophobicContact CE1-CD1 3.81Å; L41-Y90 HydrophobicContact CD2-CD1 4.16Å; L41-Y90 HydrophobicContact CD2-CG 4.33Å; L51-Y90 HydrophobicContact CD2-CD1 3.8Å; L51-Y90 HydrophobicContact CD2-CE1 3.5Å; L51-Y90 VanDerWaalsContact CD2-CE1 3.5Å; L51-Y90 HydrophobicContact CG-CE1 4.23Å; V53-Y90 WeakPolarHBondContact CA-OH 3.25Å; V53-Y90 HydrophobicContact CG1-CE2 4.05Å; V53-Y90 WeakPolarHBondContact CG1-OH 3.42Å; V53-Y90 HydrophobicContact CG2-CE2 4.32Å; V53-Y90 WeakPolarHBondContact CG2-OH 3.33Å; I56-Y90 HydrophobicContact CD1-CE2 4.07Å; F86-Y90 HydrophobicContact CB-CD2 4.43Å; F86-Y90 HydrophobicContact CD1-CD2 4.08Å; F86-Y90 AromaticContact CD2-CD2 3.37Å; F86-Y90 HydrophobicContact CD2-CD2 3.37Å; F86-Y90 AromaticContact CD2-CE2 3.47Å; F86-Y90 HydrophobicContact CD2-CE2 3.47Å; F86-Y90 VanDerWaalsContact CD2-CE2 3.47Å; F86-Y90 HydrophobicContact CE1-CD2 4.1Å; F86-Y90 AromaticContact CE2-CD2 3.4Å; F86-Y90 HydrophobicContact CE2-CD2 3.4Å; F86-Y90 AromaticContact CE2-CE2 3.61Å; F86-Y90 HydrophobicContact CE2-CE2 3.61Å; F86-Y90 HydrophobicContact CE2-CG 4.33Å; F86-Y90 AromaticContact CG-CD2 3.72Å; F86-Y90 HydrophobicContact CG-CD2 3.72Å; F86-Y90 HydrophobicContact CG-CE2 4.18Å; F86-Y90 AromaticContact CZ-CD2 3.78Å; F86-Y90 HydrophobicContact CZ-CD2 3.78Å; F86-Y90 HydrophobicContact CZ-CE2 4.42Å; F86-Y90 HydrophobicContact CZ-CG 4.37Å; F86-Y90 WeakPolarHBondContact O-CB 3.42Å; F86-Y90 VanDerWaalsContact O-CD2 3.23Å; F86-Y90 WeakPolarHBondContact O-CD2 3.44Å; F86-Y90 PolarHBondContact O-N 2.89Å; E88-Y90 VanDerWaalsContact C-N 3.32Å; E88-Y90 PolarHBondContact O-N 3.05Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 2.89Å
91R97.7Very high97.7Very high157 Ų15745.7 Ų45.759%0.59220%0.202SC*.THydrogen-bonded Turntrans50.949.4172.8-54.3-175.2-177.7178.2-1.4113.3S38 A87 E88 D93S38-R91 WeakPolarHBondContact CB-O 3.47Å; S38-R91 PolarHBondContact OG-O 2.96Å; A87-R91 CarbonylContact O-C 3.37Å; A87-R91 WeakPolarHBondContact O-CA 3.23Å; A87-R91 PolarHBondContact O-N 3.18Å; E88-R91 PolarHBondContact O-N 3.37Å; R91-D93 VanDerWaalsContact C-N 3.3Å; R91-D93 PolarHBondContact O-N 3.35Å; R91-D93 VanDerWaalsContact O-N 3.15Å
92V98.1Very high97.8Very high0 Ų045 Ų450%020%0.197CC..  trans-86.975.5176.2-168.80000108.2L41 W67 M68 F86 A87 Y90 L94 L95 L96L41-V92 HydrophobicContact CD1-CG2 4.46Å; W67-V92 HydrophobicContact CE3-CG1 4.06Å; W67-V92 HydrophobicContact CH2-CG1 3.74Å; W67-V92 HydrophobicContact CZ3-CG1 3.27Å; M68-V92 HydrophobicContact CE-CG2 4.49Å; F86-V92 HydrophobicContact CD1-CG2 4.5Å; F86-V92 HydrophobicContact CE1-CG2 4.1Å; A87-V92 HydrophobicContact CB-CB 4.5Å; A87-V92 PolarHBondContact O-N 3.46Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 2.89Å; V92-L94 VanDerWaalsContact C-N 3.31Å; V92-L94 PolarHBondContact O-N 3.25Å; V92-L95 HydrophobicContact CB-CB 4.08Å; V92-L95 HydrophobicContact CG1-CB 3.61Å; V92-L95 HydrophobicContact CG1-CD2 4.38Å; V92-L95 WeakPolarHBondContact O-CA 3.45Å; V92-L95 WeakPolarHBondContact O-CB 3.36Å; V92-L95 PolarHBondContact O-N 2.88Å; V92-L96 PolarHBondContact O-N 3.5Å
93D97.2Very high97.8Very high113 Ų11343.5 Ų43.560%0.60419%0.189SC*.Hα-helixtrans-58.8-37.5-166.9-70.3-23.6000114.1R91 L95 L96 E97R91-D93 VanDerWaalsContact C-N 3.3Å; R91-D93 PolarHBondContact O-N 3.35Å; R91-D93 VanDerWaalsContact O-N 3.15Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 2.99Å; D93-L96 PolarHBondContact O-N 3.45Å; D93-E97 WeakPolarHBondContact O-CB 3.33Å; D93-E97 PolarHBondContact O-N 3.2Å
94L97.3Very high97.7Very high117 Ų11746.5 Ų46.561%0.61321%0.214SC*.Hα-helixtrans-66.8-33.3176.8-67.9177.8000112.2W67 V92 E98W67-L94 HydrophobicContact CH2-CB 3.73Å; W67-L94 HydrophobicContact CZ2-CB 3.86Å; V92-L94 VanDerWaalsContact C-N 3.31Å; V92-L94 PolarHBondContact O-N 3.25Å; L94-E98 PolarHBondContact O-N 3.4Å; L94-E98 VanDerWaalsContact O-N 3.13Å
95L98.2Very high97.7Very high0 Ų051 Ų510%025%0.245CC..Hα-helixtrans-73.6-40.5174.2178.756000110.8W67 V73 I83 A87 V92 D93 E97 E98 I99W67-L95 HydrophobicContact CD2-CB 4.11Å; W67-L95 HydrophobicContact CD2-CD1 4.04Å; W67-L95 HydrophobicContact CD2-CD2 4.34Å; W67-L95 HydrophobicContact CD2-CG 4.39Å; W67-L95 HydrophobicContact CE3-CB 4.13Å; W67-L95 HydrophobicContact CE3-CD2 4.28Å; W67-L95 HydrophobicContact CG-CD1 4.05Å; W67-L95 HydrophobicContact CH2-CB 3.89Å; W67-L95 HydrophobicContact CZ2-CB 3.8Å; W67-L95 HydrophobicContact CZ3-CB 4.04Å; V73-L95 HydrophobicContact CB-CD1 4.49Å; V73-L95 HydrophobicContact CG1-CD1 3.88Å; I83-L95 HydrophobicContact CG2-CD2 4.19Å; A87-L95 HydrophobicContact CB-CB 4.25Å; A87-L95 HydrophobicContact CB-CD2 3.79Å; A87-L95 HydrophobicContact CB-CG 3.84Å; V92-L95 HydrophobicContact CB-CB 4.08Å; V92-L95 HydrophobicContact CG1-CB 3.61Å; V92-L95 HydrophobicContact CG1-CD2 4.38Å; V92-L95 WeakPolarHBondContact O-CA 3.45Å; V92-L95 WeakPolarHBondContact O-CB 3.36Å; V92-L95 PolarHBondContact O-N 2.88Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 2.99Å; L95-E97 PolarHBondContact O-N 2.99Å; L95-E98 WeakPolarHBondContact O-CB 3.5Å; L95-E98 PolarHBondContact O-N 3.47Å; L95-E98 VanDerWaalsContact O-N 3.13Å; L95-I99 HydrophobicContact CD1-CD1 4.4Å; L95-I99 HydrophobicContact CD1-CG1 4.46Å; L95-I99 HydrophobicContact CG-CD1 4.04Å; L95-I99 WeakPolarHBondContact O-CD1 3.44Å; L95-I99 VanDerWaalsContact O-CG1 3.31Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.81Å
96L98Very high97.6Very high12 Ų1251.8 Ų51.86%0.06325%0.251CS..Hα-helixtrans-57.7-38.4172.4-71.9170.5000111.8A87 E88 V92 D93 I99 R100 I127A87-L96 HydrophobicContact CB-CD2 3.74Å; A87-L96 HydrophobicContact CB-CG 3.91Å; E88-L96 HydrophobicContact CB-CD2 4.17Å; V92-L96 PolarHBondContact O-N 3.5Å; D93-L96 PolarHBondContact O-N 3.45Å; L96-I99 HydrophobicContact CD2-CD1 4.47Å; L96-I99 PolarHBondContact O-N 2.99Å; L96-R100 WeakPolarHBondContact O-CB 3.42Å; L96-R100 PolarHBondContact O-N 3.34Å; L96-I127 HydrophobicContact CB-CD1 4.49Å; L96-I127 HydrophobicContact CD2-CD1 3.78Å
97E97.3Very high97.5Very high52 Ų5252.8 Ų52.824%0.24326%0.255CS..Hα-helixtrans-68-38176.2176.955.8-148.600112.4D93 L95 R100 R101D93-E97 WeakPolarHBondContact O-CB 3.33Å; D93-E97 PolarHBondContact O-N 3.2Å; L95-E97 PolarHBondContact O-N 2.99Å; E97-R100 PolarHBondContact O-N 3.4Å; E97-R100 IonicContact OE1-CZ 2.89Å; E97-R100 IonicContact OE1-NE 2.76Å; E97-R100 IonicContact OE1-NH2 3.55Å; E97-R100 PolarHBondContact OE1-NH2 2.76Å; E97-R100 IonicContact OE2-CZ 2.7Å; E97-R100 IonicContact OE2-NE 3.88Å; E97-R100 PolarHBondContact OE2-NE 3.46Å; E97-R100 IonicContact OE2-NH1 2.75Å; E97-R100 IonicContact OE2-NH2 2.98Å; E97-R100 PolarHBondContact OE2-NH2 3.13Å; E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.97Å; E97-R101 IonicContact OE1-NH1 3.05Å; E97-R101 PolarHBondContact OE1-NH1 3.18Å
98E97.6Very high97.4Very high45 Ų4558 Ų5821%0.2128%0.28CS..Hα-helixtrans-65.1-42.6170.6-77.5-179.7-154.400112.6W67 V73 L94 L95 R100 R101 Y102W67-E98 PolarHBondContact NE1-OE1 2.89Å; W67-E98 VanDerWaalsContact NE1-OE1 3.14Å; W67-E98 PolarHBondContact NE1-OE2 3.06Å; V73-E98 WeakPolarHBondContact CG1-OE2 3.49Å; L94-E98 PolarHBondContact O-N 3.4Å; L94-E98 VanDerWaalsContact O-N 3.13Å; L95-E98 WeakPolarHBondContact O-CB 3.5Å; L95-E98 PolarHBondContact O-N 3.47Å; L95-E98 VanDerWaalsContact O-N 3.13Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 3.18Å; E98-R101 PolarHBondContact O-N 2.8Å; E98-Y102 WeakPolarHBondContact O-CB 3.31Å; E98-Y102 PolarHBondContact O-N 3.34Å
99I98.1Very high97.2Very high0 Ų059.9 Ų59.90%029%0.291CS..Hα-helixtrans-58.2-47.1174.8-71.1159.5000110.4L75 F80 C84 A87 L95 L96 R101 Y102 L103 I127L75-I99 HydrophobicContact CD1-CG1 4.16Å; L75-I99 HydrophobicContact CD2-CG1 4.13Å; F80-I99 HydrophobicContact CE2-CG2 4.39Å; F80-I99 HydrophobicContact CZ-CG2 4.19Å; C84-I99 HydrophobicContact CB-CD1 4.39Å; A87-I99 HydrophobicContact CB-CD1 3.75Å; L95-I99 HydrophobicContact CD1-CD1 4.4Å; L95-I99 HydrophobicContact CD1-CG1 4.46Å; L95-I99 HydrophobicContact CG-CD1 4.04Å; L95-I99 WeakPolarHBondContact O-CD1 3.44Å; L95-I99 VanDerWaalsContact O-CG1 3.31Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.81Å; L96-I99 HydrophobicContact CD2-CD1 4.47Å; L96-I99 PolarHBondContact O-N 2.99Å; I99-R101 PolarHBondContact O-N 2.9Å; I99-Y102 PolarHBondContact O-N 2.99Å; I99-L103 HydrophobicContact CG2-CD1 4.04Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 2.97Å; I99-I127 HydrophobicContact CB-CD1 4.43Å; I99-I127 HydrophobicContact CG2-CD1 3.89Å
100R97.8Very high97Very high75 Ų7562 Ų6228%0.28331%0.305SS..Hα-helixtrans-58.3-47.3178-174.4-177.168.9158.73.9111.8L96 E97 E98 L103 A104 I127 V130L96-R100 WeakPolarHBondContact O-CB 3.42Å; L96-R100 PolarHBondContact O-N 3.34Å; E97-R100 PolarHBondContact O-N 3.4Å; E97-R100 IonicContact OE1-CZ 2.89Å; E97-R100 IonicContact OE1-NE 2.76Å; E97-R100 IonicContact OE1-NH2 3.55Å; E97-R100 PolarHBondContact OE1-NH2 2.76Å; E97-R100 IonicContact OE2-CZ 2.7Å; E97-R100 IonicContact OE2-NE 3.88Å; E97-R100 PolarHBondContact OE2-NE 3.46Å; E97-R100 IonicContact OE2-NH1 2.75Å; E97-R100 IonicContact OE2-NH2 2.98Å; E97-R100 PolarHBondContact OE2-NH2 3.13Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 3.18Å; R100-L103 PolarHBondContact O-N 2.93Å; R100-A104 WeakPolarHBondContact O-CB 3.38Å; R100-A104 PolarHBondContact O-N 3.36Å; R100-I127 HydrophobicContact CB-CG1 4.09Å; R100-V130 HydrophobicContact CG-CG2 3.83Å
101R97.6Very high96.9Very high126 Ų12662.5 Ų62.548%0.47531%0.308SS..Hα-helixtrans-62.7-42.8176.9-75-169.6-66.7-99.11.3112.1E97 E98 I99 A104 S105E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.97Å; E97-R101 IonicContact OE1-NH1 3.05Å; E97-R101 PolarHBondContact OE1-NH1 3.18Å; E98-R101 PolarHBondContact O-N 2.8Å; I99-R101 PolarHBondContact O-N 2.9Å; R101-A104 PolarHBondContact O-N 2.75Å; R101-S105 PolarHBondContact O-N 2.76Å; R101-S105 PolarHBondContact O-OG 2.88Å
102Y97.8Very high96.7Very high51 Ų5155.2 Ų55.220%0.228%0.281CS..Hα-helixtrans-60.7-48.9177.9172.1-101.3000111.3L75 F80 E98 I99 A104 S105 T106L75-Y102 HydrophobicContact CB-CD1 3.71Å; L75-Y102 HydrophobicContact CB-CD2 3.88Å; L75-Y102 HydrophobicContact CB-CE1 3.82Å; L75-Y102 HydrophobicContact CB-CE2 4Å; L75-Y102 HydrophobicContact CB-CG 3.74Å; L75-Y102 VanDerWaalsContact CD1-CB 3.5Å; L75-Y102 HydrophobicContact CD1-CD1 4.06Å; L75-Y102 HydrophobicContact CD1-CD2 4.38Å; L75-Y102 HydrophobicContact CD1-CG 3.73Å; L75-Y102 HydrophobicContact CG-CG 4.39Å; L75-Y102 PolarHBondContact O-OH 3.33Å; F80-Y102 HydrophobicContact CD2-CD1 4.36Å; F80-Y102 HydrophobicContact CD2-CE1 4.1Å; F80-Y102 AromaticContact CE2-CD1 3.54Å; F80-Y102 HydrophobicContact CE2-CD1 3.54Å; F80-Y102 AromaticContact CE2-CE1 3.67Å; F80-Y102 HydrophobicContact CE2-CE1 3.67Å; F80-Y102 AromaticContact CZ-CD1 3.82Å; F80-Y102 HydrophobicContact CZ-CD1 3.82Å; F80-Y102 AromaticContact CZ-CE1 3.93Å; F80-Y102 HydrophobicContact CZ-CE1 3.93Å; E98-Y102 WeakPolarHBondContact O-CB 3.31Å; E98-Y102 PolarHBondContact O-N 3.34Å; I99-Y102 PolarHBondContact O-N 2.99Å; Y102-A104 PolarHBondContact O-N 3.32Å; Y102-S105 PolarHBondContact O-N 2.92Å; Y102-S105 PolarHBondContact O-OG 3.49Å; Y102-T106 HydrophobicContact CD2-CG2 3.88Å; Y102-T106 HydrophobicContact CE2-CG2 3.54Å; Y102-T106 WeakPolarHBondContact O-CB 3.41Å; Y102-T106 WeakPolarHBondContact O-CG2 3.44Å; Y102-T106 PolarHBondContact O-N 3.46Å; Y102-T106 PolarHBondContact O-OG1 2.92Å
103L97.3Very high96.6Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-55.5-52.9174.4-73.2170.2000110.5F80 I99 R100 S105 T106 M107 R115 I127 V130 V131F80-L103 HydrophobicContact CE1-CD2 4.04Å; F80-L103 HydrophobicContact CZ-CD2 3.84Å; F80-L103 HydrophobicContact CZ-CG 4.1Å; I99-L103 HydrophobicContact CG2-CD1 4.04Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 2.97Å; R100-L103 PolarHBondContact O-N 2.93Å; L103-S105 PolarHBondContact O-N 3.33Å; L103-S105 VanDerWaalsContact O-N 3.13Å; L103-T106 PolarHBondContact O-N 2.91Å; L103-M107 HydrophobicContact CD2-SD 4.49Å; L103-M107 WeakPolarHBondContact O-CG 3.37Å; L103-M107 PolarHBondContact O-N 3.39Å; L103-R115 HydrophobicContact CD2-CG 4.13Å; L103-I127 HydrophobicContact CD1-CG2 3.63Å; L103-V130 HydrophobicContact CB-CG1 4.08Å; L103-V131 HydrophobicContact CD1-CG2 4.39Å
104A96.5Very high96.5Very high63 Ų6357.1 Ų57.152%0.52129%0.287SS..Hα-helixtrans-55.9-35.2-179.500000113.3R100 R101 Y102 V130R100-A104 WeakPolarHBondContact O-CB 3.38Å; R100-A104 PolarHBondContact O-N 3.36Å; R101-A104 PolarHBondContact O-N 2.75Å; Y102-A104 PolarHBondContact O-N 3.32Å; A104-V130 HydrophobicContact CB-CG1 3.88Å
105S97Very high96.4Very high93 Ų9352.6 Ų52.665%0.6526%0.262SS*.Hα-helixtrans-84-15.1178.366.20000115.4R101 Y102 L103R101-S105 PolarHBondContact O-N 2.76Å; R101-S105 PolarHBondContact O-OG 2.88Å; Y102-S105 PolarHBondContact O-N 2.92Å; Y102-S105 PolarHBondContact O-OG 3.49Å; L103-S105 PolarHBondContact O-N 3.33Å; L103-S105 VanDerWaalsContact O-N 3.13Å
106T96.9Very high96.3Very high33 Ų3353 Ų5320%0.20226%0.264CS..Hα-helixtrans-121.2-1.6-172.460.80000114Y102 L103 Q108 N111Y102-T106 HydrophobicContact CD2-CG2 3.88Å; Y102-T106 HydrophobicContact CE2-CG2 3.54Å; Y102-T106 WeakPolarHBondContact O-CB 3.41Å; Y102-T106 WeakPolarHBondContact O-CG2 3.44Å; Y102-T106 PolarHBondContact O-N 3.46Å; Y102-T106 PolarHBondContact O-OG1 2.92Å; L103-T106 PolarHBondContact O-N 2.91Å; T106-Q108 PolarHBondContact O-N 3.06Å; T106-N111 PolarHBondContact O-ND2 2.88Å
107M96.4Very high96.2Very high21 Ų2154.8 Ų54.810%0.10327%0.273CS..  trans-56.1126174.5-70.9-48.2-66.800111.1L103 I112 R115 V130 V131 F134L103-M107 HydrophobicContact CD2-SD 4.49Å; L103-M107 WeakPolarHBondContact O-CG 3.37Å; L103-M107 PolarHBondContact O-N 3.39Å; M107-I112 HydrophobicContact CE-CD1 3.37Å; M107-R115 HydrophobicContact CE-CB 4.02Å; M107-R115 HydrophobicContact CE-CG 3.97Å; M107-R115 HydrophobicContact SD-CB 4.25Å; M107-R115 HydrophobicContact SD-CG 3.77Å; M107-V130 HydrophobicContact CG-CG1 4.35Å; M107-V131 HydrophobicContact CE-CB 4.4Å; M107-V131 HydrophobicContact CE-CG1 4.05Å; M107-V131 HydrophobicContact CE-CG2 4.34Å; M107-V131 HydrophobicContact SD-CG2 4.08Å; M107-F134 HydrophobicContact CB-CB 4.17Å; M107-F134 HydrophobicContact CB-CD1 4.25Å; M107-F134 HydrophobicContact CB-CD2 3.42Å; M107-F134 VanDerWaalsContact CB-CD2 3.42Å; M107-F134 HydrophobicContact CB-CE2 3.78Å; M107-F134 HydrophobicContact CB-CG 3.68Å; M107-F134 HydrophobicContact CB-CZ 4.34Å; M107-F134 HydrophobicContact CE-CB 3.93Å; M107-F134 HydrophobicContact CE-CD1 3.82Å; M107-F134 HydrophobicContact CE-CG 3.94Å; M107-F134 HydrophobicContact CG-CB 4.05Å; M107-F134 HydrophobicContact CG-CD2 4.22Å; M107-F134 HydrophobicContact CG-CG 4.11Å
108Q95.5Very high96.1Very high110 Ų11052.6 Ų52.651%0.51426%0.263SS..  trans-144.4164177.4-64.2-179.7-21.600109.6T106 E110 N111 I112T106-Q108 PolarHBondContact O-N 3.06Å; Q108-E110 VanDerWaalsContact CB-OE2 3.3Å; Q108-E110 WeakPolarHBondContact CB-OE2 3.44Å; Q108-E110 PolarHBondContact O-N 3.38Å; Q108-N111 PolarHBondContact N-OD1 2.85Å; Q108-N111 PolarHBondContact O-N 3.32Å; Q108-N111 PolarHBondContact O-OD1 3.42Å; Q108-N111 VanDerWaalsContact O-OD1 3.04Å; Q108-I112 PolarHBondContact O-N 3.25Å
109L93.8Very high95.9Very high75 Ų7550.9 Ų50.939%0.39326%0.256SS..THydrogen-bonded Turntrans-61.8-30.3177.2-68.4177.1000111.4N111 I112 F134 N138 L141 I142L109-N111 VanDerWaalsContact C-N 3.35Å; L109-N111 PolarHBondContact O-N 3.24Å; L109-I112 VanDerWaalsContact O-CG2 3.27Å; L109-I112 WeakPolarHBondContact O-CG2 3.28Å; L109-F134 HydrophobicContact CD2-CE1 4.36Å; L109-N138 HydrophobicContact CD2-CB 3.92Å; L109-L141 HydrophobicContact CD1-CD1 4.49Å; L109-I142 HydrophobicContact CD2-CD1 4.23Å; L109-I142 HydrophobicContact CD2-CG1 3.66Å
110E93.2Very high95.7Very high149 Ų14955.3 Ų55.370%0.69628%0.279SS*.THydrogen-bonded Turntrans-70.6-29.4-177.7-64.971.3-158.400112.6Q108Q108-E110 VanDerWaalsContact CB-OE2 3.3Å; Q108-E110 WeakPolarHBondContact CB-OE2 3.44Å; Q108-E110 PolarHBondContact O-N 3.38Å
111N94.8Very high95.4Very high20 Ų2058.2 Ų58.211%0.10729%0.29CS..THydrogen-bonded Turntrans-108.6-3.7-176.164.137.4000114.3T106 Q108 L109 I113 E114 R115T106-N111 PolarHBondContact O-ND2 2.88Å; Q108-N111 PolarHBondContact N-OD1 2.85Å; Q108-N111 PolarHBondContact O-N 3.32Å; Q108-N111 PolarHBondContact O-OD1 3.42Å; Q108-N111 VanDerWaalsContact O-OD1 3.04Å; L109-N111 VanDerWaalsContact C-N 3.35Å; L109-N111 PolarHBondContact O-N 3.24Å; N111-I113 VanDerWaalsContact C-N 3.28Å; N111-I113 PolarHBondContact O-N 2.86Å; N111-E114 PolarHBondContact O-N 3.13Å; N111-R115 VanDerWaalsContact O-CG 3.3Å; N111-R115 WeakPolarHBondContact O-CG 3.45Å; N111-R115 PolarHBondContact O-N 3.3Å
112I95.2Very high95.3Very high4 Ų452.4 Ų52.42%0.02127%0.268CS..Hα-helixtrans-57.9-38.8-173.7-173.252.7000113.3M107 Q108 L109 R115 L116 V131 F134 F135 I142M107-I112 HydrophobicContact CE-CD1 3.37Å; Q108-I112 PolarHBondContact O-N 3.25Å; L109-I112 VanDerWaalsContact O-CG2 3.27Å; L109-I112 WeakPolarHBondContact O-CG2 3.28Å; I112-R115 PolarHBondContact O-N 3.13Å; I112-L116 HydrophobicContact CD1-CD1 4.47Å; I112-L116 HydrophobicContact CD1-CG 4.13Å; I112-L116 HydrophobicContact CG1-CD1 4.14Å; I112-L116 HydrophobicContact CG1-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.05Å; I112-V131 HydrophobicContact CD1-CG1 3.95Å; I112-F134 HydrophobicContact CB-CE1 4.47Å; I112-F134 HydrophobicContact CD1-CD1 3.87Å; I112-F134 HydrophobicContact CG1-CD1 4.33Å; I112-F135 HydrophobicContact CD1-CB 4.18Å; I112-F135 HydrophobicContact CG1-CD2 4.3Å; I112-I142 HydrophobicContact CG1-CD1 3.97Å; I112-I142 HydrophobicContact CG2-CD1 4.34Å; I112-I142 HydrophobicContact CG2-CG1 4.38Å; I112-I142 HydrophobicContact CG2-CG2 4.49Å
113I95.2Very high95.2Very high23 Ų2354.7 Ų54.712%0.11829%0.288CS..Hα-helixtrans-66.3-46.4-179.1-60.7-52.9000111N111 R115 L116 L117 V147 W148 F151N111-I113 VanDerWaalsContact C-N 3.28Å; N111-I113 PolarHBondContact O-N 2.86Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.13Å; I113-L116 HydrophobicContact CD1-CD1 4.46Å; I113-L116 PolarHBondContact O-N 2.71Å; I113-L117 HydrophobicContact CG2-CD1 4.4Å; I113-L117 WeakPolarHBondContact O-CG 3.49Å; I113-L117 PolarHBondContact O-N 2.94Å; I113-V147 HydrophobicContact CB-CG1 4.44Å; I113-V147 HydrophobicContact CG1-CB 4.45Å; I113-V147 HydrophobicContact CG1-CG1 3.7Å; I113-W148 HydrophobicContact CD1-CE3 3.84Å; I113-W148 HydrophobicContact CD1-CZ3 4.42Å; I113-F151 HydrophobicContact CD1-CB 3.97Å; I113-F151 HydrophobicContact CD1-CD1 3.8Å; I113-F151 HydrophobicContact CD1-CE1 4.45Å; I113-F151 HydrophobicContact CD1-CG 3.89Å; I113-F151 HydrophobicContact CG1-CB 4.42Å; I113-F151 HydrophobicContact CG2-CB 3.9Å; I113-F151 HydrophobicContact CG2-CD2 3.5Å; I113-F151 VanDerWaalsContact CG2-CD2 3.5Å; I113-F151 HydrophobicContact CG2-CE2 4.15Å; I113-F151 HydrophobicContact CG2-CG 3.74Å
114E94.4Very high95.1Very high131 Ų13156.5 Ų56.561%0.61230%0.298SS*.Hα-helixtrans-60.1-40.8174.5-62176.1178.200111.1N111 L117 L118N111-E114 PolarHBondContact O-N 3.13Å; E114-L117 PolarHBondContact O-N 3.27Å; E114-L118 WeakPolarHBondContact O-CB 3.46Å; E114-L118 PolarHBondContact O-N 3.5Å
115R96.1Very high95Very high22 Ų2259.3 Ų59.38%0.08330%0.3CS..Hα-helixtrans-67.6-37177-60.6-35.1-171.7-173.34.1112.6L103 M107 N111 I112 I113 L118 V119 V131L103-R115 HydrophobicContact CD2-CG 4.13Å; M107-R115 HydrophobicContact CE-CB 4.02Å; M107-R115 HydrophobicContact CE-CG 3.97Å; M107-R115 HydrophobicContact SD-CB 4.25Å; M107-R115 HydrophobicContact SD-CG 3.77Å; N111-R115 VanDerWaalsContact O-CG 3.3Å; N111-R115 WeakPolarHBondContact O-CG 3.45Å; N111-R115 PolarHBondContact O-N 3.3Å; I112-R115 PolarHBondContact O-N 3.13Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.13Å; R115-L118 PolarHBondContact O-N 2.91Å; R115-V119 WeakPolarHBondContact O-CG1 3.34Å; R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.4Å; R115-V131 HydrophobicContact CB-CG1 3.78Å; R115-V131 HydrophobicContact CB-CG2 4.05Å
116L96Very high94.9Very high9 Ų960.9 Ų60.95%0.04730%0.295CS..Hα-helixtrans-65.6-42.8175.9-76.2173.4000111.7I112 I113 N120 V131 F135 W148 F151 A162I112-L116 HydrophobicContact CD1-CD1 4.47Å; I112-L116 HydrophobicContact CD1-CG 4.13Å; I112-L116 HydrophobicContact CG1-CD1 4.14Å; I112-L116 HydrophobicContact CG1-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.05Å; I113-L116 HydrophobicContact CD1-CD1 4.46Å; I113-L116 PolarHBondContact O-N 2.71Å; L116-N120 PolarHBondContact O-N 3.03Å; L116-V131 HydrophobicContact CD2-CG1 3.89Å; L116-V131 HydrophobicContact CG-CG1 4.23Å; L116-F135 HydrophobicContact CD1-CD2 3.85Å; L116-F135 HydrophobicContact CD1-CE2 4.19Å; L116-W148 HydrophobicContact CD1-CZ3 3.88Å; L116-F151 HydrophobicContact CB-CZ 4.32Å; L116-F151 HydrophobicContact CD1-CE1 4.24Å; L116-A162 HydrophobicContact CD1-CB 4.14Å; L116-A162 HydrophobicContact CD2-CB 3.79Å
117L94.8Very high94.9Very high49 Ų4959.3 Ų59.326%0.25729%0.285SS..Hα-helixtrans-60.2-46.1174-75169.6000111.4I113 E114 N120 F151 H155 E158I113-L117 HydrophobicContact CG2-CD1 4.4Å; I113-L117 WeakPolarHBondContact O-CG 3.49Å; I113-L117 PolarHBondContact O-N 2.94Å; E114-L117 PolarHBondContact O-N 3.27Å; L117-N120 PolarHBondContact O-N 3.07Å; L117-F151 HydrophobicContact CD1-CE2 4.47Å; L117-F151 HydrophobicContact CD2-CE2 3.73Å; L117-F151 HydrophobicContact CG-CE2 3.83Å; L117-H155 HydrophobicContact CD2-CB 4.37Å; L117-E158 HydrophobicContact CD2-CG 4.3Å
118L95.4Very high94.9Very high6 Ų660.5 Ų60.53%0.03129%0.29CS..Hα-helixtrans-57.6-54.8177171.664.3000111.8F80 E81 C84 E114 R115 N120 R121 L122F80-L118 HydrophobicContact CD1-CD2 4Å; F80-L118 HydrophobicContact CE1-CD2 3.35Å; F80-L118 HydrophobicContact CZ-CD2 4.2Å; E81-L118 HydrophobicContact CB-CD1 4.02Å; E81-L118 HydrophobicContact CG-CD1 3.73Å; C84-L118 HydrophobicContact CB-CD1 4.05Å; E114-L118 WeakPolarHBondContact O-CB 3.46Å; E114-L118 PolarHBondContact O-N 3.5Å; R115-L118 PolarHBondContact O-N 2.91Å; L118-N120 PolarHBondContact O-N 2.97Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.85Å; L118-L122 HydrophobicContact CD1-CD1 4.12Å; L118-L122 HydrophobicContact CD1-CG 4.4Å; L118-L122 HydrophobicContact CG-CD1 4.08Å; L118-L122 PolarHBondContact O-N 2.82Å
119V95.2Very high94.9Very high9 Ų960.1 Ų60.16%0.05529%0.288CS..Hα-helixtrans-70.1-18.8-173-60.10000113.4R115 R121 L122 I127 K128 V131R115-V119 WeakPolarHBondContact O-CG1 3.34Å; R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.4Å; V119-R121 PolarHBondContact O-N 2.95Å; V119-L122 PolarHBondContact O-N 2.88Å; V119-I127 HydrophobicContact CG1-CG2 3.92Å; V119-K128 HydrophobicContact CB-CG 3.91Å; V119-K128 HydrophobicContact CG2-CG 4.48Å; V119-K128 WeakPolarHBondContact O-CE 3.38Å; V119-V131 HydrophobicContact CG1-CB 3.99Å; V119-V131 HydrophobicContact CG1-CG1 4.43Å; V119-V131 HydrophobicContact CG1-CG2 3.53Å; V119-V131 HydrophobicContact CG2-CB 4.23Å; V119-V131 HydrophobicContact CG2-CG1 4.12Å
120N93Very high95.1Very high92 Ų9258.1 Ų58.149%0.49228%0.279SS..Hα-helixtrans-68.2-25.6170.2-172.168000112.6L116 L117 L118 E158L116-N120 PolarHBondContact O-N 3.03Å; L117-N120 PolarHBondContact O-N 3.07Å; L118-N120 PolarHBondContact O-N 2.97Å; N120-E158 HydrophobicContact CB-CG 4.24Å; N120-E158 WeakPolarHBondContact ND2-CG 3.33Å
121R92.4Very high95.3Very high136 Ų13651 Ų5151%0.51325%0.246SC..THydrogen-bonded Turntrans-86.9-10175.2-63.1173.964.1174.10.3113.3E81 I85 L118 V119E81-R121 WeakPolarHBondContact OE1-CD 3.49Å; E81-R121 IonicContact OE1-CZ 2.63Å; E81-R121 VanDerWaalsContact OE1-CZ 3.26Å; E81-R121 IonicContact OE1-NE 2.63Å; E81-R121 PolarHBondContact OE1-NE 3.32Å; E81-R121 IonicContact OE1-NH1 3.31Å; E81-R121 PolarHBondContact OE1-NH1 2.85Å; E81-R121 IonicContact OE2-NH1 3.26Å; E81-R121 PolarHBondContact OE2-NH1 3.25Å; I85-R121 VanDerWaalsContact CD1-NH2 3.25Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.85Å; V119-R121 PolarHBondContact O-N 2.95Å
122L95.3Very high95.3Very high4 Ų450.7 Ų50.72%0.02124%0.244CC..  trans-101.8159.6180-61.2179000110.7C84 I85 E88 L118 V119 I127 K128C84-L122 HydrophobicContact CB-CD1 4.1Å; C84-L122 HydrophobicContact CB-CD2 4.3Å; I85-L122 HydrophobicContact CG1-CD2 4.29Å; E88-L122 HydrophobicContact CB-CD2 4.3Å; E88-L122 WeakPolarHBondContact OE1-CB 3.35Å; E88-L122 WeakPolarHBondContact OE2-CA 3.38Å; L118-L122 HydrophobicContact CD1-CD1 4.12Å; L118-L122 HydrophobicContact CD1-CG 4.4Å; L118-L122 HydrophobicContact CG-CD1 4.08Å; L118-L122 PolarHBondContact O-N 2.82Å; V119-L122 PolarHBondContact O-N 2.88Å; L122-I127 HydrophobicContact CD1-CG2 3.98Å; L122-K128 WeakPolarHBondContact O-CE 3.34Å; L122-K128 PolarHBondContact O-NZ 3.15Å; L122-K128 VanDerWaalsContact O-NZ 3.16Å
123T94.7Very high95.4Very high100 Ų10055 Ų5561%0.61326%0.263SS*.  trans-111.9-10.3174.955.60000112.3E88 E125E88-T123 PolarHBondContact OE1-N 2.67Å; E88-T123 PolarHBondContact OE1-OG1 3.23Å; E88-T123 PolarHBondContact OE2-N 3.46Å; E88-T123 PolarHBondContact OE2-OG1 2.94Å; T123-E125 PolarHBondContact O-N 2.97Å
124N95.2Very high95.5Very high38 Ų3856 Ų5620%0.20327%0.267CS..  trans-69.5103.8179.9-170.5-55.8000111.8E88 K126 I127 K128E88-N124 VanDerWaalsContact OE1-CB 3.24Å; E88-N124 WeakPolarHBondContact OE1-CB 3.35Å; E88-N124 PolarHBondContact OE1-N 2.83Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 3.4Å; N124-K126 WeakPolarHBondContact OD1-CB 3.29Å; N124-K126 PolarHBondContact OD1-N 2.83Å; N124-K126 VanDerWaalsContact OD1-N 3.13Å; N124-I127 HydrophobicContact CB-CB 4.17Å; N124-I127 HydrophobicContact CB-CD1 4.06Å; N124-I127 HydrophobicContact CB-CG1 4.32Å; N124-I127 PolarHBondContact O-N 3.18Å; N124-I127 VanDerWaalsContact O-N 3.16Å; N124-I127 PolarHBondContact OD1-N 3.23Å; N124-K128 PolarHBondContact O-N 3.07Å
125E94.7Very high95.6Very high122 Ų12249.8 Ų49.857%0.5724%0.238SC*.Hα-helixtrans-63.2-33.1-177.1-62.7-54.1136.500113.4T123 I127 K128 E129T123-E125 PolarHBondContact O-N 2.97Å; E125-I127 VanDerWaalsContact C-N 3.31Å; E125-I127 PolarHBondContact O-N 3.16Å; E125-K128 PolarHBondContact O-N 3.46Å; E125-K128 WeakPolarHBondContact OE1-CD 3.38Å; E125-K128 IonicContact OE1-NZ 3.44Å; E125-K128 PolarHBondContact OE1-NZ 2.93Å; E125-E129 VanDerWaalsContact O-CB 3.27Å; E125-E129 WeakPolarHBondContact O-CB 3.38Å; E125-E129 PolarHBondContact O-N 3.2Å
126K95.7Very high95.5Very high125 Ų12551.1 Ų51.154%0.54324%0.244SC..Hα-helixtrans-67.3-34177-66.3174.1174.3175.20112.1N124N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 3.4Å; N124-K126 WeakPolarHBondContact OD1-CB 3.29Å; N124-K126 PolarHBondContact OD1-N 2.83Å; N124-K126 VanDerWaalsContact OD1-N 3.13Å
127I96.7Very high95.5Very high0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-73.3-45.5175-73.7173.6000110L96 I99 R100 L103 V119 L122 N124 E125 E129 V130L96-I127 HydrophobicContact CB-CD1 4.49Å; L96-I127 HydrophobicContact CD2-CD1 3.78Å; I99-I127 HydrophobicContact CB-CD1 4.43Å; I99-I127 HydrophobicContact CG2-CD1 3.89Å; R100-I127 HydrophobicContact CB-CG1 4.09Å; L103-I127 HydrophobicContact CD1-CG2 3.63Å; V119-I127 HydrophobicContact CG1-CG2 3.92Å; L122-I127 HydrophobicContact CD1-CG2 3.98Å; N124-I127 HydrophobicContact CB-CB 4.17Å; N124-I127 HydrophobicContact CB-CD1 4.06Å; N124-I127 HydrophobicContact CB-CG1 4.32Å; N124-I127 PolarHBondContact O-N 3.18Å; N124-I127 VanDerWaalsContact O-N 3.16Å; N124-I127 PolarHBondContact OD1-N 3.23Å; E125-I127 VanDerWaalsContact C-N 3.31Å; E125-I127 PolarHBondContact O-N 3.16Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.73Å; I127-V130 PolarHBondContact O-N 2.88Å
128K96.1Very high95.5Very high47 Ų4754.7 Ų54.720%0.20427%0.271CS..Hα-helixtrans-56.2-47.3175.3-74.4172.5-179.5176.90111.8V119 L122 N124 E125 V130 V131 V132V119-K128 HydrophobicContact CB-CG 3.91Å; V119-K128 HydrophobicContact CG2-CG 4.48Å; V119-K128 WeakPolarHBondContact O-CE 3.38Å; L122-K128 WeakPolarHBondContact O-CE 3.34Å; L122-K128 PolarHBondContact O-NZ 3.15Å; L122-K128 VanDerWaalsContact O-NZ 3.16Å; N124-K128 PolarHBondContact O-N 3.07Å; E125-K128 PolarHBondContact O-N 3.46Å; E125-K128 WeakPolarHBondContact OE1-CD 3.38Å; E125-K128 IonicContact OE1-NZ 3.44Å; E125-K128 PolarHBondContact OE1-NZ 2.93Å; K128-V130 VanDerWaalsContact C-N 3.28Å; K128-V130 PolarHBondContact O-N 3.03Å; K128-V131 PolarHBondContact O-N 3.31Å; K128-V131 VanDerWaalsContact O-N 3.07Å; K128-V132 VanDerWaalsContact O-CG2 3.31Å; K128-V132 WeakPolarHBondContact O-CG2 3.41Å; K128-V132 PolarHBondContact O-N 3.34Å
129E95.6Very high95.5Very high102 Ų10257.7 Ų57.748%0.47728%0.284SS..Hα-helixtrans-54.8-42.8-178.2-173.4-174.7168.900112.1E125 I127 V131 V132 K133E125-E129 VanDerWaalsContact O-CB 3.27Å; E125-E129 WeakPolarHBondContact O-CB 3.38Å; E125-E129 PolarHBondContact O-N 3.2Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.73Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.06Å; E129-V132 PolarHBondContact O-N 3.05Å; E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 PolarHBondContact O-N 3.16Å
130V96.9Very high95.5Very high32 Ų3265.5 Ų65.519%0.19432%0.319CS..Hα-helixtrans-58.4-46.8177.4171.40000111.5R100 L103 A104 M107 I127 K128 F134R100-V130 HydrophobicContact CG-CG2 3.83Å; L103-V130 HydrophobicContact CB-CG1 4.08Å; A104-V130 HydrophobicContact CB-CG1 3.88Å; M107-V130 HydrophobicContact CG-CG1 4.35Å; I127-V130 PolarHBondContact O-N 2.88Å; K128-V130 VanDerWaalsContact C-N 3.28Å; K128-V130 PolarHBondContact O-N 3.03Å; V130-F134 PolarHBondContact O-N 2.95Å
131V97.2Very high95.6Very high0 Ų066.3 Ų66.30%032%0.323CS..Hα-helixtrans-71.2-45-177.51790000110.9L103 M107 I112 R115 L116 V119 K128 E129 K133 F134 F135L103-V131 HydrophobicContact CD1-CG2 4.39Å; M107-V131 HydrophobicContact CE-CB 4.4Å; M107-V131 HydrophobicContact CE-CG1 4.05Å; M107-V131 HydrophobicContact CE-CG2 4.34Å; M107-V131 HydrophobicContact SD-CG2 4.08Å; I112-V131 HydrophobicContact CD1-CG1 3.95Å; R115-V131 HydrophobicContact CB-CG1 3.78Å; R115-V131 HydrophobicContact CB-CG2 4.05Å; L116-V131 HydrophobicContact CD2-CG1 3.89Å; L116-V131 HydrophobicContact CG-CG1 4.23Å; V119-V131 HydrophobicContact CG1-CB 3.99Å; V119-V131 HydrophobicContact CG1-CG1 4.43Å; V119-V131 HydrophobicContact CG1-CG2 3.53Å; V119-V131 HydrophobicContact CG2-CB 4.23Å; V119-V131 HydrophobicContact CG2-CG1 4.12Å; K128-V131 PolarHBondContact O-N 3.31Å; K128-V131 VanDerWaalsContact O-N 3.07Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 3.06Å; V131-K133 PolarHBondContact O-N 3.32Å; V131-F134 PolarHBondContact O-N 3.14Å; V131-F135 PolarHBondContact O-N 3.33Å
132V96.1Very high95.8Very high13 Ų1360 Ų608%0.07930%0.299CS..Hα-helixtrans-67.7-36.3-179.7-177.20000111K128 E129 F135 K136 A165 A166 L169K128-V132 VanDerWaalsContact O-CG2 3.31Å; K128-V132 WeakPolarHBondContact O-CG2 3.41Å; K128-V132 PolarHBondContact O-N 3.34Å; E129-V132 PolarHBondContact O-N 3.05Å; V132-F135 PolarHBondContact O-N 3.29Å; V132-K136 WeakPolarHBondContact O-CB 3.26Å; V132-K136 PolarHBondContact O-N 3.4Å; V132-A165 HydrophobicContact CG1-CB 3.75Å; V132-A165 HydrophobicContact CG2-CB 4.03Å; V132-A166 HydrophobicContact CG1-CB 4.14Å; V132-L169 HydrophobicContact CB-CD1 3.98Å; V132-L169 HydrophobicContact CG1-CD1 3.42Å; V132-L169 VanDerWaalsContact CG1-CD1 3.42Å; V132-L169 HydrophobicContact CG1-CG 4.15Å
133K96.4Very high95.8Very high95 Ų9562.7 Ų62.741%0.41331%0.314SS..Hα-helixtrans-62.4-45.7174.5-174.8165.8-178.4159.50111.3E129 V131 F135 K136 S137 D172E129-K133 WeakPolarHBondContact O-CB 3.43Å; E129-K133 PolarHBondContact O-N 3.16Å; V131-K133 PolarHBondContact O-N 3.32Å; K133-F135 PolarHBondContact O-N 3.11Å; K133-K136 PolarHBondContact O-N 3.18Å; K133-S137 PolarHBondContact O-N 2.93Å; K133-S137 PolarHBondContact O-OG 3.42Å; K133-D172 IonicContact NZ-OD2 3.06Å; K133-D172 PolarHBondContact NZ-OD2 3.33Å
134F96.8Very high95.8Very high44 Ų4461.4 Ų61.419%0.19331%0.313CS..Hα-helixtrans-61.5-44.1174.7-176.3-87000112.1M107 L109 I112 V130 V131 K136 S137 N138M107-F134 HydrophobicContact CB-CB 4.17Å; M107-F134 HydrophobicContact CB-CD1 4.25Å; M107-F134 HydrophobicContact CB-CD2 3.42Å; M107-F134 VanDerWaalsContact CB-CD2 3.42Å; M107-F134 HydrophobicContact CB-CE2 3.78Å; M107-F134 HydrophobicContact CB-CG 3.68Å; M107-F134 HydrophobicContact CB-CZ 4.34Å; M107-F134 HydrophobicContact CE-CB 3.93Å; M107-F134 HydrophobicContact CE-CD1 3.82Å; M107-F134 HydrophobicContact CE-CG 3.94Å; M107-F134 HydrophobicContact CG-CB 4.05Å; M107-F134 HydrophobicContact CG-CD2 4.22Å; M107-F134 HydrophobicContact CG-CG 4.11Å; L109-F134 HydrophobicContact CD2-CE1 4.36Å; I112-F134 HydrophobicContact CB-CE1 4.47Å; I112-F134 HydrophobicContact CD1-CD1 3.87Å; I112-F134 HydrophobicContact CG1-CD1 4.33Å; V130-F134 PolarHBondContact O-N 2.95Å; V131-F134 PolarHBondContact O-N 3.14Å; F134-K136 PolarHBondContact O-N 2.86Å; F134-S137 PolarHBondContact O-N 3.17Å; F134-N138 PolarHBondContact O-N 3.38Å; F134-N138 VanDerWaalsContact O-N 3.15Å; F134-N138 PolarHBondContact O-ND2 2.8Å
135F96.5Very high95.8Very high0 Ų061.4 Ų61.40%032%0.316CS..Hα-helixtrans-58.4-47.1175.8176.8-95.4000111.5I112 L116 V131 V132 K133 N138 K139 I142 L143 W148 L163 A166I112-F135 HydrophobicContact CD1-CB 4.18Å; I112-F135 HydrophobicContact CG1-CD2 4.3Å; L116-F135 HydrophobicContact CD1-CD2 3.85Å; L116-F135 HydrophobicContact CD1-CE2 4.19Å; V131-F135 PolarHBondContact O-N 3.33Å; V132-F135 PolarHBondContact O-N 3.29Å; K133-F135 PolarHBondContact O-N 3.11Å; F135-N138 CarbonylContact O-C 3.45Å; F135-N138 PolarHBondContact O-N 3.09Å; F135-K139 VanDerWaalsContact O-CA 3.23Å; F135-K139 WeakPolarHBondContact O-CA 3.47Å; F135-K139 PolarHBondContact O-N 3.1Å; F135-I142 HydrophobicContact CD2-CD1 3.75Å; F135-I142 HydrophobicContact CD2-CG2 4.03Å; F135-I142 HydrophobicContact CE2-CB 4.32Å; F135-I142 HydrophobicContact CE2-CD1 4.37Å; F135-I142 HydrophobicContact CE2-CG2 3.66Å; F135-I142 HydrophobicContact CG-CD1 4.4Å; F135-L143 HydrophobicContact CZ-CD2 4.24Å; F135-W148 HydrophobicContact CD2-CZ3 4.31Å; F135-W148 AromaticContact CE2-CE3 3.84Å; F135-W148 HydrophobicContact CE2-CE3 3.84Å; F135-W148 AromaticContact CE2-CH2 3.7Å; F135-W148 HydrophobicContact CE2-CH2 3.7Å; F135-W148 HydrophobicContact CE2-CZ2 4.49Å; F135-W148 AromaticContact CE2-CZ3 3.33Å; F135-W148 HydrophobicContact CE2-CZ3 3.33Å; F135-W148 HydrophobicContact CZ-CE3 4.47Å; F135-W148 AromaticContact CZ-CH2 3.63Å; F135-W148 HydrophobicContact CZ-CH2 3.63Å; F135-W148 HydrophobicContact CZ-CZ2 4.2Å; F135-W148 AromaticContact CZ-CZ3 3.79Å; F135-W148 HydrophobicContact CZ-CZ3 3.79Å; F135-L163 HydrophobicContact CE1-CD2 4.24Å; F135-L163 HydrophobicContact CZ-CD2 4.11Å; F135-A166 HydrophobicContact CD1-CB 3.68Å; F135-A166 HydrophobicContact CE1-CB 3.89Å
136K95.6Very high95.7Very high50 Ų5060.9 Ų60.922%0.21731%0.314CS..Hα-helixtrans-59.9-48.6178.4-176.9-178.7176.1-176.40111.5V132 K133 F134 N138 K139 A166 L169 H170 D171V132-K136 WeakPolarHBondContact O-CB 3.26Å; V132-K136 PolarHBondContact O-N 3.4Å; K133-K136 PolarHBondContact O-N 3.18Å; F134-K136 PolarHBondContact O-N 2.86Å; K136-N138 PolarHBondContact O-N 3.28Å; K136-K139 WeakPolarHBondContact O-CB 3.18Å; K136-K139 PolarHBondContact O-N 3.35Å; K136-A166 HydrophobicContact CB-CB 4.24Å; K136-A166 WeakPolarHBondContact CD-O 3.34Å; K136-L169 HydrophobicContact CD-CB 3.96Å; K136-L169 HydrophobicContact CD-CD1 4.31Å; K136-L169 PolarHBondContact NZ-O 3.02Å; K136-H170 VanDerWaalsContact NZ-C 3.32Å; K136-H170 PolarHBondContact NZ-O 2.96Å; K136-H170 VanDerWaalsContact NZ-O 3.1Å; K136-D171 WeakPolarHBondContact CE-OD1 3.47Å; K136-D171 IonicContact NZ-OD1 3.61Å; K136-D171 PolarHBondContact NZ-OD1 3.31Å
137S95.3Very high95.5Very high92 Ų9259.2 Ų59.264%0.64331%0.314SS*.Hα-helixtrans-64-23.9-179.3-62.40000113.8K133 F134K133-S137 PolarHBondContact O-N 2.93Å; K133-S137 PolarHBondContact O-OG 3.42Å; F134-S137 PolarHBondContact O-N 3.17Å
138N95.6Very high95.4Very high41 Ų4160 Ų6022%0.21932%0.317CS..THydrogen-bonded Turntrans-114.716.1-179.1-64.1-85000112.6L109 F134 F135 K136 E140 L141 I142L109-N138 HydrophobicContact CD2-CB 3.92Å; F134-N138 PolarHBondContact O-N 3.38Å; F134-N138 VanDerWaalsContact O-N 3.15Å; F134-N138 PolarHBondContact O-ND2 2.8Å; F135-N138 CarbonylContact O-C 3.45Å; F135-N138 PolarHBondContact O-N 3.09Å; K136-N138 PolarHBondContact O-N 3.28Å; N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 3.33Å; N138-L141 PolarHBondContact O-N 3.42Å; N138-L141 VanDerWaalsContact O-N 3.12Å; N138-I142 HydrophobicContact CB-CD1 3.71Å; N138-I142 HydrophobicContact CB-CG1 4.13Å; N138-I142 WeakPolarHBondContact O-CG1 3.42Å; N138-I142 PolarHBondContact O-N 3.44Å
139K94.4Very high95.3Very high70 Ų7062.7 Ų62.730%0.30433%0.329SS..Hα-helixtrans-52.9-48.3-167.2-179.2178.1178.3178.60112.3F135 K136 L141 I142 L143F135-K139 VanDerWaalsContact O-CA 3.23Å; F135-K139 WeakPolarHBondContact O-CA 3.47Å; F135-K139 PolarHBondContact O-N 3.1Å; K136-K139 WeakPolarHBondContact O-CB 3.18Å; K136-K139 PolarHBondContact O-N 3.35Å; K139-L141 PolarHBondContact O-N 3.04Å; K139-I142 PolarHBondContact O-N 3.45Å; K139-L143 HydrophobicContact CD-CD1 4.33Å; K139-L143 HydrophobicContact CG-CD1 3.67Å; K139-L143 HydrophobicContact CG-CG 4.01Å; K139-L143 WeakPolarHBondContact O-CB 3.37Å; K139-L143 WeakPolarHBondContact O-CG 3.42Å; K139-L143 PolarHBondContact O-N 3.13Å
140E94.8Very high95.3Very high172 Ų17262.7 Ų62.780%0.80433%0.332SS*.Hα-helixtrans-60.5-45-178-63.2-177.7173.400112.4N138 A144N138-E140 VanDerWaalsContact C-N 3.34Å; N138-E140 PolarHBondContact O-N 3.33Å; E140-A144 WeakPolarHBondContact O-CB 3.48Å; E140-A144 PolarHBondContact O-N 2.84Å; E140-A144 VanDerWaalsContact O-N 3.11Å
141L96.1Very high95.2Very high110 Ų11061.5 Ų61.558%0.57632%0.324SS*.Hα-helixtrans-65.5-43.2177.9-66.4174.7000111.5L109 N138 K139 A144 S145L109-L141 HydrophobicContact CD1-CD1 4.49Å; N138-L141 PolarHBondContact O-N 3.42Å; N138-L141 VanDerWaalsContact O-N 3.12Å; K139-L141 PolarHBondContact O-N 3.04Å; L141-A144 PolarHBondContact O-N 2.85Å; L141-S145 PolarHBondContact O-N 3.23Å
142I95.8Very high95.1Very high2 Ų263.4 Ų63.41%0.0134%0.337CS..Hα-helixtrans-66.2-48.4-179.8-64.8164000110.2L109 I112 F135 N138 K139 A144 S145 W148L109-I142 HydrophobicContact CD2-CD1 4.23Å; L109-I142 HydrophobicContact CD2-CG1 3.66Å; I112-I142 HydrophobicContact CG1-CD1 3.97Å; I112-I142 HydrophobicContact CG2-CD1 4.34Å; I112-I142 HydrophobicContact CG2-CG1 4.38Å; I112-I142 HydrophobicContact CG2-CG2 4.49Å; F135-I142 HydrophobicContact CD2-CD1 3.75Å; F135-I142 HydrophobicContact CD2-CG2 4.03Å; F135-I142 HydrophobicContact CE2-CB 4.32Å; F135-I142 HydrophobicContact CE2-CD1 4.37Å; F135-I142 HydrophobicContact CE2-CG2 3.66Å; F135-I142 HydrophobicContact CG-CD1 4.4Å; N138-I142 HydrophobicContact CB-CD1 3.71Å; N138-I142 HydrophobicContact CB-CG1 4.13Å; N138-I142 WeakPolarHBondContact O-CG1 3.42Å; N138-I142 PolarHBondContact O-N 3.44Å; K139-I142 PolarHBondContact O-N 3.45Å; I142-A144 PolarHBondContact O-N 2.98Å; I142-S145 VanDerWaalsContact O-CB 3.31Å; I142-S145 WeakPolarHBondContact O-CB 3.42Å; I142-S145 PolarHBondContact O-N 3.12Å; I142-S145 PolarHBondContact O-OG 2.74Å; I142-W148 HydrophobicContact CG2-CB 4.24Å; I142-W148 HydrophobicContact CG2-CD2 4.2Å; I142-W148 HydrophobicContact CG2-CE3 3.77Å; I142-W148 HydrophobicContact CG2-CG 4.4Å; I142-W148 WeakPolarHBondContact O-CB 3.35Å
143L95.5Very high95.1Very high61 Ų6166.5 Ų66.532%0.31936%0.36SS..Hα-helixtrans-63.9-28-179.4-65.7-175.3000113.1F135 K139 W148 L163F135-L143 HydrophobicContact CZ-CD2 4.24Å; K139-L143 HydrophobicContact CD-CD1 4.33Å; K139-L143 HydrophobicContact CG-CD1 3.67Å; K139-L143 HydrophobicContact CG-CG 4.01Å; K139-L143 WeakPolarHBondContact O-CB 3.37Å; K139-L143 WeakPolarHBondContact O-CG 3.42Å; K139-L143 PolarHBondContact O-N 3.13Å; L143-W148 HydrophobicContact CD2-CD2 3.9Å; L143-W148 HydrophobicContact CD2-CG 4.14Å; L143-W148 HydrophobicContact CD2-CZ2 3.7Å; L143-L163 HydrophobicContact CD1-CD2 4.47Å; L143-L163 HydrophobicContact CD2-CD2 4.04Å
144A95.3Very high95Very high74 Ų7468.5 Ų68.561%0.61237%0.374SS*.Hα-helixtrans-79.7-15.8174.500000113.7E140 L141 I142E140-A144 WeakPolarHBondContact O-CB 3.48Å; E140-A144 PolarHBondContact O-N 2.84Å; E140-A144 VanDerWaalsContact O-N 3.11Å; L141-A144 PolarHBondContact O-N 2.85Å; I142-A144 PolarHBondContact O-N 2.98Å
145S94.7Very high95Very high37 Ų3769 Ų6926%0.25938%0.377SS..SBendtrans-72.8149.6-176.976.60000112.7L141 I142 V147 W148 K149L141-S145 PolarHBondContact O-N 3.23Å; I142-S145 VanDerWaalsContact O-CB 3.31Å; I142-S145 WeakPolarHBondContact O-CB 3.42Å; I142-S145 PolarHBondContact O-N 3.12Å; I142-S145 PolarHBondContact O-OG 2.74Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.09Å; S145-W148 PolarHBondContact O-N 3.19Å; S145-W148 WeakPolarHBondContact OG-CB 3.45Å; S145-W148 PolarHBondContact OG-N 3.17Å; S145-K149 PolarHBondContact O-N 3.44Å
146E93.2Very high94.9Very high112 Ų11277.8 Ų77.852%0.52341%0.41SS..Hα-helixtrans-65.8-36.9174.6-162.561-159.700111.5W148 K149 D150E146-W148 PolarHBondContact O-N 3.39Å; E146-K149 WeakPolarHBondContact O-CB 2.86Å; E146-K149 PolarHBondContact O-N 2.92Å; E146-K149 WeakPolarHBondContact OE2-CD 3.4Å; E146-K149 IonicContact OE2-NZ 2.76Å; E146-K149 PolarHBondContact OE2-NZ 2.85Å; E146-D150 PolarHBondContact O-N 3.4Å
147V91.1Very high94.9Very high90 Ų9078.9 Ų78.955%0.54543%0.428SS..Hα-helixtrans-59.7-36.8179.2-162.40000111.4I113 S145 F151I113-V147 HydrophobicContact CB-CG1 4.44Å; I113-V147 HydrophobicContact CG1-CB 4.45Å; I113-V147 HydrophobicContact CG1-CG1 3.7Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.09Å; V147-F151 VanDerWaalsContact O-CB 3.23Å; V147-F151 WeakPolarHBondContact O-CB 3.49Å; V147-F151 PolarHBondContact O-N 3.34Å
148W95.1Very high94.8Very high17 Ų1776.9 Ų76.96%0.06441%0.409CS..Hα-helixtrans-68.8-36.3174.1178.4-96.2000113I113 L116 F135 I142 L143 S145 E146 F151 S152 A159 A162 L163I113-W148 HydrophobicContact CD1-CE3 3.84Å; I113-W148 HydrophobicContact CD1-CZ3 4.42Å; L116-W148 HydrophobicContact CD1-CZ3 3.88Å; F135-W148 HydrophobicContact CD2-CZ3 4.31Å; F135-W148 AromaticContact CE2-CE3 3.84Å; F135-W148 HydrophobicContact CE2-CE3 3.84Å; F135-W148 AromaticContact CE2-CH2 3.7Å; F135-W148 HydrophobicContact CE2-CH2 3.7Å; F135-W148 HydrophobicContact CE2-CZ2 4.49Å; F135-W148 AromaticContact CE2-CZ3 3.33Å; F135-W148 HydrophobicContact CE2-CZ3 3.33Å; F135-W148 HydrophobicContact CZ-CE3 4.47Å; F135-W148 AromaticContact CZ-CH2 3.63Å; F135-W148 HydrophobicContact CZ-CH2 3.63Å; F135-W148 HydrophobicContact CZ-CZ2 4.2Å; F135-W148 AromaticContact CZ-CZ3 3.79Å; F135-W148 HydrophobicContact CZ-CZ3 3.79Å; I142-W148 HydrophobicContact CG2-CB 4.24Å; I142-W148 HydrophobicContact CG2-CD2 4.2Å; I142-W148 HydrophobicContact CG2-CE3 3.77Å; I142-W148 HydrophobicContact CG2-CG 4.4Å; I142-W148 WeakPolarHBondContact O-CB 3.35Å; L143-W148 HydrophobicContact CD2-CD2 3.9Å; L143-W148 HydrophobicContact CD2-CG 4.14Å; L143-W148 HydrophobicContact CD2-CZ2 3.7Å; S145-W148 PolarHBondContact O-N 3.19Å; S145-W148 WeakPolarHBondContact OG-CB 3.45Å; S145-W148 PolarHBondContact OG-N 3.17Å; E146-W148 PolarHBondContact O-N 3.39Å; W148-F151 HydrophobicContact CD2-CD1 4.32Å; W148-F151 AromaticContact CE3-CD1 3.62Å; W148-F151 HydrophobicContact CE3-CD1 3.62Å; W148-F151 HydrophobicContact CE3-CE1 4.1Å; W148-F151 HydrophobicContact CH2-CD1 4.14Å; W148-F151 AromaticContact CH2-CE1 3.96Å; W148-F151 HydrophobicContact CH2-CE1 3.96Å; W148-F151 AromaticContact CZ3-CD1 3.51Å; W148-F151 HydrophobicContact CZ3-CD1 3.51Å; W148-F151 AromaticContact CZ3-CE1 3.49Å; W148-F151 HydrophobicContact CZ3-CE1 3.49Å; W148-F151 VanDerWaalsContact CZ3-CE1 3.49Å; W148-F151 PolarHBondContact O-N 2.94Å; W148-S152 VanDerWaalsContact O-CB 3.26Å; W148-S152 WeakPolarHBondContact O-CB 3.44Å; W148-S152 PolarHBondContact O-N 3.38Å; W148-S152 PolarHBondContact O-OG 3.43Å; W148-A159 HydrophobicContact CH2-CB 3.96Å; W148-A159 HydrophobicContact CZ2-CB 4.03Å; W148-A162 HydrophobicContact CH2-CB 4.26Å; W148-L163 HydrophobicContact CH2-CG 4.39Å; W148-L163 HydrophobicContact CZ2-CD1 4.2Å; W148-L163 HydrophobicContact CZ2-CD2 4.31Å; W148-L163 HydrophobicContact CZ2-CG 4.06Å
149K94.2Very high94.8Very high103 Ų10375.1 Ų75.145%0.44840%0.4SS..Hα-helixtrans-63.8-45176.9-62.5-179.9-160.3154.20110.8S145 E146 S152 S153S145-K149 PolarHBondContact O-N 3.44Å; E146-K149 WeakPolarHBondContact O-CB 2.86Å; E146-K149 PolarHBondContact O-N 2.92Å; E146-K149 WeakPolarHBondContact OE2-CD 3.4Å; E146-K149 IonicContact OE2-NZ 2.76Å; E146-K149 PolarHBondContact OE2-NZ 2.85Å; K149-S152 PolarHBondContact O-OG 3.13Å; K149-S153 WeakPolarHBondContact O-CB 3.23Å; K149-S153 PolarHBondContact O-N 3.2Å
150D94.4Very high94.9Very high102 Ų10276.9 Ų76.955%0.54541%0.412SS..Hα-helixtrans-62.6-48.8176-71.4-21.1000111.1E146 S152 S153 L154E146-D150 PolarHBondContact O-N 3.4Å; D150-S152 PolarHBondContact O-N 3.3Å; D150-S153 PolarHBondContact O-N 3.43Å; D150-L154 WeakPolarHBondContact O-CB 3.43Å; D150-L154 PolarHBondContact O-N 3.08Å
151F95.1Very high94.8Very high6 Ų670.4 Ų70.43%0.02639%0.391CS..Hα-helixtrans-57.9-50.2177.2172.2-113.7000112.3I113 L116 L117 V147 W148 S153 L154 H155 E158 A159I113-F151 HydrophobicContact CD1-CB 3.97Å; I113-F151 HydrophobicContact CD1-CD1 3.8Å; I113-F151 HydrophobicContact CD1-CE1 4.45Å; I113-F151 HydrophobicContact CD1-CG 3.89Å; I113-F151 HydrophobicContact CG1-CB 4.42Å; I113-F151 HydrophobicContact CG2-CB 3.9Å; I113-F151 HydrophobicContact CG2-CD2 3.5Å; I113-F151 VanDerWaalsContact CG2-CD2 3.5Å; I113-F151 HydrophobicContact CG2-CE2 4.15Å; I113-F151 HydrophobicContact CG2-CG 3.74Å; L116-F151 HydrophobicContact CB-CZ 4.32Å; L116-F151 HydrophobicContact CD1-CE1 4.24Å; L117-F151 HydrophobicContact CD1-CE2 4.47Å; L117-F151 HydrophobicContact CD2-CE2 3.73Å; L117-F151 HydrophobicContact CG-CE2 3.83Å; V147-F151 VanDerWaalsContact O-CB 3.23Å; V147-F151 WeakPolarHBondContact O-CB 3.49Å; V147-F151 PolarHBondContact O-N 3.34Å; W148-F151 HydrophobicContact CD2-CD1 4.32Å; W148-F151 AromaticContact CE3-CD1 3.62Å; W148-F151 HydrophobicContact CE3-CD1 3.62Å; W148-F151 HydrophobicContact CE3-CE1 4.1Å; W148-F151 HydrophobicContact CH2-CD1 4.14Å; W148-F151 AromaticContact CH2-CE1 3.96Å; W148-F151 HydrophobicContact CH2-CE1 3.96Å; W148-F151 AromaticContact CZ3-CD1 3.51Å; W148-F151 HydrophobicContact CZ3-CD1 3.51Å; W148-F151 AromaticContact CZ3-CE1 3.49Å; W148-F151 HydrophobicContact CZ3-CE1 3.49Å; W148-F151 VanDerWaalsContact CZ3-CE1 3.49Å; W148-F151 PolarHBondContact O-N 2.94Å; F151-S153 PolarHBondContact O-N 2.94Å; F151-L154 PolarHBondContact O-N 3.48Å; F151-H155 HydrophobicContact CD2-CB 3.73Å; F151-H155 AromaticContact CD2-CD2 3.72Å; F151-H155 HydrophobicContact CE2-CB 3.5Å; F151-H155 AromaticContact CE2-CG 3.97Å; F151-H155 HydrophobicContact CZ-CB 4.25Å; F151-H155 WeakPolarHBondContact O-CA 3.38Å; F151-H155 WeakPolarHBondContact O-CB 3.31Å; F151-H155 PolarHBondContact O-N 2.88Å; F151-E158 HydrophobicContact CE2-CB 4.17Å; F151-E158 HydrophobicContact CZ-CB 3.76Å; F151-A159 HydrophobicContact CD1-CB 4Å; F151-A159 HydrophobicContact CE1-CB 3.67Å; F151-A159 HydrophobicContact CZ-CB 4.37Å
152S94.8Very high94.7Very high40 Ų4065.4 Ų65.428%0.2837%0.366SS..Hα-helixtrans-67.8-24-179.1600000113.4W148 K149 D150 R156W148-S152 VanDerWaalsContact O-CB 3.26Å; W148-S152 WeakPolarHBondContact O-CB 3.44Å; W148-S152 PolarHBondContact O-N 3.38Å; W148-S152 PolarHBondContact O-OG 3.43Å; K149-S152 PolarHBondContact O-OG 3.13Å; D150-S152 PolarHBondContact O-N 3.3Å; S152-R156 VanDerWaalsContact O-CG 3.24Å; S152-R156 WeakPolarHBondContact O-CG 2.93Å
153S95.9Very high94.6Very high79 Ų7967.9 Ų67.955%0.55238%0.379SS*.Hα-helixtrans-74.5-45.9172.8-173.40000112.2K149 D150 F151 R156K149-S153 WeakPolarHBondContact O-CB 3.23Å; K149-S153 PolarHBondContact O-N 3.2Å; D150-S153 PolarHBondContact O-N 3.43Å; F151-S153 PolarHBondContact O-N 2.94Å; S153-R156 PolarHBondContact O-NE 3.49Å
154L95.6Very high94.6Very high136 Ų13669.3 Ų69.371%0.71239%0.39SS*.Hα-helixtrans-83.2-36.9-174.5-174.261000113.4D150 F151D150-L154 WeakPolarHBondContact O-CB 3.43Å; D150-L154 PolarHBondContact O-N 3.08Å; F151-L154 PolarHBondContact O-N 3.48Å
155H95.2Very high94.5Very high55 Ų5567.7 Ų67.726%0.25538%0.377SS..  trans-121.659.1-172.9-61.3-76.3000110.6L117 F151 A157 E158 A159L117-H155 HydrophobicContact CD2-CB 4.37Å; F151-H155 HydrophobicContact CD2-CB 3.73Å; F151-H155 AromaticContact CD2-CD2 3.72Å; F151-H155 HydrophobicContact CE2-CB 3.5Å; F151-H155 AromaticContact CE2-CG 3.97Å; F151-H155 HydrophobicContact CZ-CB 4.25Å; F151-H155 WeakPolarHBondContact O-CA 3.38Å; F151-H155 WeakPolarHBondContact O-CB 3.31Å; F151-H155 PolarHBondContact O-N 2.88Å; H155-A157 VanDerWaalsContact C-N 3.3Å; H155-A157 PolarHBondContact O-N 3.19Å; H155-E158 VanDerWaalsContact CA-OE2 3.31Å; H155-E158 WeakPolarHBondContact CA-OE2 3.45Å; H155-E158 HydrophobicContact CB-CB 4.15Å; H155-E158 HydrophobicContact CB-CG 4.42Å; H155-E158 WeakPolarHBondContact CB-OE2 3.16Å; H155-E158 PolarHBondContact O-N 3.24Å; H155-A159 WeakPolarHBondContact O-CB 3.26Å; H155-A159 PolarHBondContact O-N 3.33Å
156R95Very high94.4Very high184 Ų18466.1 Ų66.169%0.69437%0.366SS*.Hα-helixtrans-58.6-39.4-172.4-67.6177.1-172.5-174.40.2113.2S152 S153 L160S152-R156 VanDerWaalsContact O-CG 3.24Å; S152-R156 WeakPolarHBondContact O-CG 2.93Å; S153-R156 PolarHBondContact O-NE 3.49Å; R156-L160 VanDerWaalsContact O-CB 3.29Å; R156-L160 WeakPolarHBondContact O-CB 3.36Å; R156-L160 PolarHBondContact O-N 3.09Å
157A94.9Very high94.4Very high73 Ų7365.1 Ų65.160%0.60337%0.371SS*.Hα-helixtrans-69.1-43.4-177.700000110.8H155 L160 G161H155-A157 VanDerWaalsContact C-N 3.3Å; H155-A157 PolarHBondContact O-N 3.19Å; A157-L160 PolarHBondContact O-N 3.45Å; A157-G161 PolarHBondContact O-N 2.88Å
158E94.5Very high94.4Very high50 Ų5064.3 Ų64.323%0.23437%0.374CS..Hα-helixtrans-68.1-42.6179-60.386.4164.600111.2L117 N120 F151 H155 G161 A162L117-E158 HydrophobicContact CD2-CG 4.3Å; N120-E158 HydrophobicContact CB-CG 4.24Å; N120-E158 WeakPolarHBondContact ND2-CG 3.33Å; F151-E158 HydrophobicContact CE2-CB 4.17Å; F151-E158 HydrophobicContact CZ-CB 3.76Å; H155-E158 VanDerWaalsContact CA-OE2 3.31Å; H155-E158 WeakPolarHBondContact CA-OE2 3.45Å; H155-E158 HydrophobicContact CB-CB 4.15Å; H155-E158 HydrophobicContact CB-CG 4.42Å; H155-E158 WeakPolarHBondContact CB-OE2 3.16Å; H155-E158 PolarHBondContact O-N 3.24Å; E158-G161 PolarHBondContact O-N 3.29Å; E158-A162 WeakPolarHBondContact O-CB 3.43Å; E158-A162 PolarHBondContact O-N 2.96Å
159A95.2Very high94.1Very high4 Ų465.9 Ų65.93%0.03338%0.384CS..Hα-helixtrans-63.3-43.7175.200000112.2W148 F151 H155 A162 L163W148-A159 HydrophobicContact CH2-CB 3.96Å; W148-A159 HydrophobicContact CZ2-CB 4.03Å; F151-A159 HydrophobicContact CD1-CB 4Å; F151-A159 HydrophobicContact CE1-CB 3.67Å; F151-A159 HydrophobicContact CZ-CB 4.37Å; H155-A159 WeakPolarHBondContact O-CB 3.26Å; H155-A159 PolarHBondContact O-N 3.33Å; A159-A162 PolarHBondContact O-N 3.48Å; A159-L163 WeakPolarHBondContact O-CG 3.41Å; A159-L163 PolarHBondContact O-N 3.05Å; A159-L163 VanDerWaalsContact O-N 3.11Å
160L95.4Very high93.4Very high108 Ų10869.3 Ų69.357%0.56540%0.401SS*.Hα-helixtrans-63.7-43.8174.2-17961.9000111.3R156 A157 A162 L163 V164R156-L160 VanDerWaalsContact O-CB 3.29Å; R156-L160 WeakPolarHBondContact O-CB 3.36Å; R156-L160 PolarHBondContact O-N 3.09Å; A157-L160 PolarHBondContact O-N 3.45Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.65Å; L160-L163 PolarHBondContact O-N 2.83Å; L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 HydrophobicContact CG-CG2 4.43Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.89Å
161G93.7Very high92.4Very high35 Ų3571.1 Ų71.136%0.36141%0.41SS..Hα-helixtrans-57.4-44.6176.400000112.4A157 E158 V164 A165A157-G161 PolarHBondContact O-N 2.88Å; E158-G161 PolarHBondContact O-N 3.29Å; G161-V164 PolarHBondContact O-N 3.26Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.47Å; G161-A165 PolarHBondContact O-N 3.23Å
162A93.6Very high90.6Very high6 Ų680 Ų805%0.0546%0.458CS..Hα-helixtrans-61.3-44.5176.100000112.3L116 W148 E158 A159 L160 A166L116-A162 HydrophobicContact CD1-CB 4.14Å; L116-A162 HydrophobicContact CD2-CB 3.79Å; W148-A162 HydrophobicContact CH2-CB 4.26Å; E158-A162 WeakPolarHBondContact O-CB 3.43Å; E158-A162 PolarHBondContact O-N 2.96Å; A159-A162 PolarHBondContact O-N 3.48Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.65Å; A162-A166 VanDerWaalsContact O-CB 3.25Å; A162-A166 WeakPolarHBondContact O-CB 3.3Å; A162-A166 PolarHBondContact O-N 3.37Å
163L95Very high90.4Very high54 Ų5482.1 Ų82.128%0.28347%0.467SS..Hα-helixtrans-63.1-44.4177.3-73.2171.3000112.2F135 L143 W148 A159 L160 A166 S167F135-L163 HydrophobicContact CE1-CD2 4.24Å; F135-L163 HydrophobicContact CZ-CD2 4.11Å; L143-L163 HydrophobicContact CD1-CD2 4.47Å; L143-L163 HydrophobicContact CD2-CD2 4.04Å; W148-L163 HydrophobicContact CH2-CG 4.39Å; W148-L163 HydrophobicContact CZ2-CD1 4.2Å; W148-L163 HydrophobicContact CZ2-CD2 4.31Å; W148-L163 HydrophobicContact CZ2-CG 4.06Å; A159-L163 WeakPolarHBondContact O-CG 3.41Å; A159-L163 PolarHBondContact O-N 3.05Å; A159-L163 VanDerWaalsContact O-N 3.11Å; L160-L163 PolarHBondContact O-N 2.83Å; L163-A166 PolarHBondContact O-N 3.15Å; L163-S167 WeakPolarHBondContact O-CB 3.38Å; L163-S167 PolarHBondContact O-N 2.78Å; L163-S167 PolarHBondContact O-OG 3.2Å
164V94.9Very high90.1Very high91 Ų9182.2 Ų82.255%0.55246%0.463SS*.Hα-helixtrans-64.5-47.6178.4170.60000110.7L160 G161 A166 S167 A168L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 HydrophobicContact CG-CG2 4.43Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.89Å; G161-V164 PolarHBondContact O-N 3.26Å; V164-A166 VanDerWaalsContact C-N 3.33Å; V164-A166 PolarHBondContact O-N 3.32Å; V164-S167 PolarHBondContact O-N 2.7Å; V164-A168 WeakPolarHBondContact O-CB 3.21Å; V164-A168 PolarHBondContact O-N 2.95Å
165A93Very high89.8Confident40 Ų4079.2 Ų79.233%0.33145%0.449SS..Hα-helixtrans-60.4-43.4178.300000111.5V132 G161 S167 A168 L169V132-A165 HydrophobicContact CG1-CB 3.75Å; V132-A165 HydrophobicContact CG2-CB 4.03Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.47Å; G161-A165 PolarHBondContact O-N 3.23Å; A165-S167 VanDerWaalsContact C-N 3.33Å; A165-S167 PolarHBondContact O-N 3.02Å; A165-A168 PolarHBondContact O-N 3.37Å; A165-L169 PolarHBondContact O-N 2.79Å; A165-L169 VanDerWaalsContact O-N 3.11Å
166A93.2Very high89.4Confident3 Ų380.6 Ų80.63%0.02546%0.46CS..Hα-helixtrans-65.2-35.4178.300000113.2V132 F135 K136 A162 L163 V164V132-A166 HydrophobicContact CG1-CB 4.14Å; F135-A166 HydrophobicContact CD1-CB 3.68Å; F135-A166 HydrophobicContact CE1-CB 3.89Å; K136-A166 HydrophobicContact CB-CB 4.24Å; K136-A166 WeakPolarHBondContact CD-O 3.34Å; A162-A166 VanDerWaalsContact O-CB 3.25Å; A162-A166 WeakPolarHBondContact O-CB 3.3Å; A162-A166 PolarHBondContact O-N 3.37Å; L163-A166 PolarHBondContact O-N 3.15Å; V164-A166 VanDerWaalsContact C-N 3.33Å; V164-A166 PolarHBondContact O-N 3.32Å
167S92.3Very high89.1Confident92 Ų9274.2 Ų74.264%0.64345%0.446SS*.Hα-helixtrans-73.2-25.9174.9-81.40000113.5L163 V164 A165L163-S167 WeakPolarHBondContact O-CB 3.38Å; L163-S167 PolarHBondContact O-N 2.78Å; L163-S167 PolarHBondContact O-OG 3.2Å; V164-S167 PolarHBondContact O-N 2.7Å; A165-S167 VanDerWaalsContact C-N 3.33Å; A165-S167 PolarHBondContact O-N 3.02Å
168A91.5Very high88.7Confident72 Ų7274.3 Ų74.360%0.59544%0.435SS*.Hα-helixtrans-84.4-21.7178.300000113.4V164 A165 H170V164-A168 WeakPolarHBondContact O-CB 3.21Å; V164-A168 PolarHBondContact O-N 2.95Å; A165-A168 PolarHBondContact O-N 3.37Å; A168-H170 PolarHBondContact O-N 3.33Å
169L88Confident88.3Confident51 Ų5176 Ų7627%0.26745%0.45SS..SBendtrans-63.6124.5171.1-76.1176.9000109.4V132 K136 A165V132-L169 HydrophobicContact CB-CD1 3.98Å; V132-L169 HydrophobicContact CG1-CD1 3.42Å; V132-L169 VanDerWaalsContact CG1-CD1 3.42Å; V132-L169 HydrophobicContact CG1-CG 4.15Å; K136-L169 HydrophobicContact CD-CB 3.96Å; K136-L169 HydrophobicContact CD-CD1 4.31Å; K136-L169 PolarHBondContact NZ-O 3.02Å; A165-L169 PolarHBondContact O-N 2.79Å; A165-L169 VanDerWaalsContact O-N 3.11Å
170H79.5Confident87.8Confident174 Ų17481.5 Ų81.581%0.80648%0.482SS*.PPolyproline II helixtrans-65.4151.6169.1-67.5-64.6000110.3K136 A168 D172K136-H170 VanDerWaalsContact NZ-C 3.32Å; K136-H170 PolarHBondContact NZ-O 2.96Å; K136-H170 VanDerWaalsContact NZ-O 3.1Å; A168-H170 PolarHBondContact O-N 3.33Å; H170-D172 PolarHBondContact O-N 3.27Å
171D73.1Confident87.1Confident140 Ų14079.3 Ų79.375%0.74948%0.475SS*.PPolyproline II helixtrans-73.8120166-65.8-36.1000106.9K136K136-D171 WeakPolarHBondContact CE-OD1 3.47Å; K136-D171 IonicContact NZ-OD1 3.61Å; K136-D171 PolarHBondContact NZ-OD1 3.31Å
172D57.8Low86.5Confident194 Ų19483.4 Ų83.4100%1.03749%0.485SS*.  trans-64.10169.9-71.9-32.3000110.6K133 H170K133-D172 IonicContact NZ-OD2 3.06Å; K133-D172 PolarHBondContact NZ-OD2 3.33Å; H170-D172 PolarHBondContact O-N 3.27Å

Retrieved 172 of 172 residues in 661.1 ms (Link to these results)

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