A0A077ZLF2_TRITR Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M30.9Very low49.5Very low224 Ų22495 Ų95100%1.10354%0.536SS*.  089.10-170.2170.6-173.400107.1A3M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.38Å; M1-A3 VanDerWaalsContact O-N 3.17Å
2F41Very low49.9Very low141 Ų14193.2 Ų93.262%0.61852%0.518SS*.  trans-8189.3170.6-75.5-71.3000106.6A4 N45F2-A4 PolarHBondContact O-N 3.2Å; F2-N45 WeakPolarHBondContact CD2-OD1 2.78Å; F2-N45 HydrophobicContact CE2-CB 4.35Å; F2-N45 WeakPolarHBondContact CE2-ND2 2.91Å; F2-N45 WeakPolarHBondContact CE2-O 3.4Å; F2-N45 WeakPolarHBondContact CE2-OD1 2.95Å; F2-N45 WeakPolarHBondContact CZ-ND2 3.1Å
3A37.9Very low50.2Low87 Ų8788.1 Ų88.172%0.71949%0.489SS*.  trans-63.3107163.700000105.7M1 D5M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.38Å; M1-A3 VanDerWaalsContact O-N 3.17Å; A3-D5 PolarHBondContact O-N 3.31Å
4A51.7Low51.2Low48 Ų4894.6 Ų94.640%0.39750%0.502SS..  trans-55.1125.5174.300000107.2F2 S6 Y72 V73F2-A4 PolarHBondContact O-N 3.2Å; A4-S6 PolarHBondContact O-N 3.06Å; A4-Y72 HydrophobicContact CB-CE1 3.51Å; A4-V73 HydrophobicContact CB-CG2 4.05Å
5D51.8Low52Low84 Ų8491.9 Ų91.945%0.44949%0.491SS..  trans-56.8110.2-175.8-170.7-29.6000108.7A3 D7 V8 F9 Y72A3-D5 PolarHBondContact O-N 3.31Å; D5-D7 PolarHBondContact O-N 3.19Å; D5-D7 WeakPolarHBondContact OD1-CB 3.36Å; D5-D7 PolarHBondContact OD1-N 3.29Å; D5-V8 HydrophobicContact CB-CB 4.09Å; D5-V8 HydrophobicContact CB-CG2 3.73Å; D5-V8 PolarHBondContact O-N 3.22Å; D5-V8 VanDerWaalsContact O-N 3.1Å; D5-F9 PolarHBondContact O-N 3.47Å; D5-F9 VanDerWaalsContact O-N 3.09Å; D5-Y72 PolarHBondContact N-OH 2.9Å; D5-Y72 PolarHBondContact O-OH 2.87Å
6S55.1Low52.4Low84 Ų8488.4 Ų88.459%0.58747%0.468SS*.Hα-helixtrans-60.8-27.6-176.551.90000111.2A4 A10A4-S6 PolarHBondContact O-N 3.06Å; S6-A10 WeakPolarHBondContact O-CB 3.34Å; S6-A10 PolarHBondContact O-N 3.43Å
7D54.6Low52.8Low121 Ų12194.1 Ų94.165%0.64748%0.482SS*.Hα-helixtrans-73.4-36.7178.9-64.6-22.4000110.7D5 A10 H11D5-D7 PolarHBondContact O-N 3.19Å; D5-D7 WeakPolarHBondContact OD1-CB 3.36Å; D5-D7 PolarHBondContact OD1-N 3.29Å; D7-A10 PolarHBondContact O-N 3.08Å; D7-H11 WeakPolarHBondContact O-CB 3.27Å; D7-H11 PolarHBondContact O-N 3.41Å
8V58.3Low53.5Low59 Ų59101.4 Ų101.436%0.35850%0.503SS..Hα-helixtrans-67.3-42.9174.1179.30000110.8D5 H11 K12 Y72D5-V8 HydrophobicContact CB-CB 4.09Å; D5-V8 HydrophobicContact CB-CG2 3.73Å; D5-V8 PolarHBondContact O-N 3.22Å; D5-V8 VanDerWaalsContact O-N 3.1Å; V8-H11 PolarHBondContact O-N 3.23Å; V8-K12 WeakPolarHBondContact O-CB 3.4Å; V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.33Å; V8-Y72 HydrophobicContact CB-CE2 4.22Å; V8-Y72 HydrophobicContact CG1-CE2 3.69Å
9F50Low53.6Low45 Ų45103.7 Ų103.720%0.19751%0.512CS..Hα-helixtrans-61.6-48.5174.6-177.8-113.1000111.5D5 H11 K12 L13 I25 Y72 L77D5-F9 PolarHBondContact O-N 3.47Å; D5-F9 VanDerWaalsContact O-N 3.09Å; F9-H11 VanDerWaalsContact C-N 3.31Å; F9-H11 PolarHBondContact O-N 2.91Å; F9-K12 PolarHBondContact O-N 2.79Å; F9-L13 HydrophobicContact CD1-CD1 3.63Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.2Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CE2-CD1 4.24Å; F9-L13 HydrophobicContact CE2-CG 4.34Å; F9-L13 HydrophobicContact CG-CD1 4.33Å; F9-L13 HydrophobicContact CZ-CD1 3.56Å; F9-L13 HydrophobicContact CZ-CG 4.09Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.43Å; F9-I25 HydrophobicContact CZ-CD1 4.03Å; F9-Y72 HydrophobicContact CB-CD1 4.02Å; F9-Y72 HydrophobicContact CB-CE1 3.65Å; F9-Y72 AromaticContact CD2-CD1 3.48Å; F9-Y72 HydrophobicContact CD2-CD1 3.48Å; F9-Y72 VanDerWaalsContact CD2-CD1 3.48Å; F9-Y72 HydrophobicContact CD2-CE1 4.01Å; F9-Y72 HydrophobicContact CD2-CG 4.08Å; F9-Y72 HydrophobicContact CE2-CD1 4.34Å; F9-Y72 HydrophobicContact CG-CD1 4.15Å; F9-Y72 HydrophobicContact CG-CE1 4.22Å; F9-L77 HydrophobicContact CE2-CD2 4.36Å
10A52.2Low53.6Low32 Ų3299.3 Ų99.326%0.26449%0.491SS..Hα-helixtrans-63.1-38.1178.200000111.8S6 D7 R14S6-A10 WeakPolarHBondContact O-CB 3.34Å; S6-A10 PolarHBondContact O-N 3.43Å; D7-A10 PolarHBondContact O-N 3.08Å; A10-R14 WeakPolarHBondContact O-CB 3.17Å; A10-R14 VanDerWaalsContact O-CG 3.27Å; A10-R14 WeakPolarHBondContact O-CG 3.22Å; A10-R14 PolarHBondContact O-N 2.83Å
11H60.6Low54Low120 Ų120101.3 Ų101.356%0.55651%0.509SS*.Hα-helixtrans-65.7-48.4175.7-174.380.6000111.4D7 V8 F9 L13 R14 V15D7-H11 WeakPolarHBondContact O-CB 3.27Å; D7-H11 PolarHBondContact O-N 3.41Å; V8-H11 PolarHBondContact O-N 3.23Å; F9-H11 VanDerWaalsContact C-N 3.31Å; F9-H11 PolarHBondContact O-N 2.91Å; H11-L13 VanDerWaalsContact C-N 3.35Å; H11-L13 PolarHBondContact O-N 3Å; H11-R14 PolarHBondContact O-N 2.8Å; H11-R14 VanDerWaalsContact O-N 3.17Å; H11-V15 WeakPolarHBondContact O-CG2 3.33Å; H11-V15 PolarHBondContact O-N 2.95Å
12K54.5Low55.1Low73 Ų7393.9 Ų93.932%0.31747%0.474SS..Hα-helixtrans-58.4-46.1175.1-78.6-172173.3-163.50111.3V8 F9 R14 V15 W16 T71 Y72V8-K12 WeakPolarHBondContact O-CB 3.4Å; V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.33Å; F9-K12 PolarHBondContact O-N 2.79Å; K12-R14 VanDerWaalsContact C-N 3.34Å; K12-R14 PolarHBondContact O-N 2.72Å; K12-V15 PolarHBondContact O-N 3.12Å; K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.32Å; K12-T71 PolarHBondContact NZ-O 3.5Å; K12-Y72 HydrophobicContact CD-CD2 4.02Å
13L53.7Low56Low27 Ų2788.6 Ų88.614%0.14145%0.453CS..Hα-helixtrans-58.4-42.5174.6-85.7175.6000112.7F9 H11 W16 R17 I25 L77F9-L13 HydrophobicContact CD1-CD1 3.63Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.2Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CE2-CD1 4.24Å; F9-L13 HydrophobicContact CE2-CG 4.34Å; F9-L13 HydrophobicContact CG-CD1 4.33Å; F9-L13 HydrophobicContact CZ-CD1 3.56Å; F9-L13 HydrophobicContact CZ-CG 4.09Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.43Å; H11-L13 VanDerWaalsContact C-N 3.35Å; H11-L13 PolarHBondContact O-N 3Å; L13-W16 PolarHBondContact O-N 2.77Å; L13-R17 WeakPolarHBondContact O-CB 3.48Å; L13-R17 WeakPolarHBondContact O-CG 3.33Å; L13-R17 PolarHBondContact O-N 2.93Å; L13-I25 HydrophobicContact CD1-CD1 4.48Å; L13-I25 HydrophobicContact CD2-CD1 4.27Å; L13-I25 HydrophobicContact CD2-CG1 4.42Å; L13-L77 HydrophobicContact CD2-CD1 4.22Å; L13-L77 HydrophobicContact CD2-CD2 3.43Å; L13-L77 VanDerWaalsContact CD2-CD2 3.43Å; L13-L77 HydrophobicContact CD2-CG 4.48Å; L13-L77 HydrophobicContact CG-CD2 4.26Å
14R64.1Low57Low180 Ų18085.3 Ų85.368%0.67943%0.425SS*.Hα-helixtrans-64.3-41.6177-77177.8-159.8179.18112A10 H11 K12 W16 R18A10-R14 WeakPolarHBondContact O-CB 3.17Å; A10-R14 VanDerWaalsContact O-CG 3.27Å; A10-R14 WeakPolarHBondContact O-CG 3.22Å; A10-R14 PolarHBondContact O-N 2.83Å; H11-R14 PolarHBondContact O-N 2.8Å; H11-R14 VanDerWaalsContact O-N 3.17Å; K12-R14 VanDerWaalsContact C-N 3.34Å; K12-R14 PolarHBondContact O-N 2.72Å; R14-W16 VanDerWaalsContact C-N 3.35Å; R14-R18 WeakPolarHBondContact O-CG 3.48Å; R14-R18 PolarHBondContact O-N 3.3Å
15V63.9Low57.4Low54 Ų5487.1 Ų87.133%0.32743%0.427SS..Hα-helixtrans-63.9-43.8176172.90000110.3H11 K12 R18H11-V15 WeakPolarHBondContact O-CG2 3.33Å; H11-V15 PolarHBondContact O-N 2.95Å; K12-V15 PolarHBondContact O-N 3.12Å; V15-R18 WeakPolarHBondContact O-CB 3.33Å; V15-R18 PolarHBondContact O-N 2.82Å
16W58.9Low57.9Low35 Ų3583.3 Ų83.313%0.13341%0.407CS..Hα-helixtrans-66.4-42.6179.7-87.860.7000113.2K12 L13 R14 R18 Q19 C20 R68 S70 L77K12-W16 WeakPolarHBondContact O-CB 3.47Å; K12-W16 PolarHBondContact O-N 3.32Å; L13-W16 PolarHBondContact O-N 2.77Å; R14-W16 VanDerWaalsContact C-N 3.35Å; W16-R18 PolarHBondContact O-N 3.1Å; W16-Q19 PolarHBondContact O-N 3.4Å; W16-C20 PolarHBondContact O-N 3.43Å; W16-R68 VanDerWaalsContact CH2-C 3.44Å; W16-R68 VanDerWaalsContact CH2-O 3.31Å; W16-R68 WeakPolarHBondContact CH2-O 3.28Å; W16-R68 VanDerWaalsContact CZ3-O 3.28Å; W16-R68 WeakPolarHBondContact CZ3-O 3.47Å; W16-S70 VanDerWaalsContact CE2-CB 3.48Å; W16-S70 VanDerWaalsContact CZ2-N 3.34Å; W16-L77 HydrophobicContact CD2-CB 4.19Å; W16-L77 HydrophobicContact CD2-CD1 4.2Å; W16-L77 HydrophobicContact CE3-CB 3.86Å; W16-L77 HydrophobicContact CG-CD1 4.1Å; W16-L77 HydrophobicContact CZ3-CB 4.12Å
17R59Low58.3Low186 Ų18683.7 Ų83.770%0.70240%0.402SS*.Hα-helixtrans-64.6-19.9174.8-77.9-170177.9-1720.7114L13 Q19 V23L13-R17 WeakPolarHBondContact O-CB 3.48Å; L13-R17 WeakPolarHBondContact O-CG 3.33Å; L13-R17 PolarHBondContact O-N 2.93Å; R17-Q19 VanDerWaalsContact C-N 3.33Å; R17-V23 HydrophobicContact CG-CG2 4.41Å
18R65.6Low58.6Low225 Ų22578.4 Ų78.485%0.84937%0.374SS*.Hα-helixtrans-77.1-22171.6-73.8176.6175.5-177.3-1.7112.6R14 V15 W16R14-R18 WeakPolarHBondContact O-CG 3.48Å; R14-R18 PolarHBondContact O-N 3.3Å; V15-R18 WeakPolarHBondContact O-CB 3.33Å; V15-R18 PolarHBondContact O-N 2.82Å; W16-R18 PolarHBondContact O-N 3.1Å
19Q54.9Low58.7Low146 Ų14681.6 Ų81.668%0.68239%0.385SS*.Hα-helixtrans-103.5-20.4-175.3-65.8-179.4-3.800113.2W16 R17W16-Q19 PolarHBondContact O-N 3.4Å; R17-Q19 VanDerWaalsContact C-N 3.33Å
20C52.8Low59Low15 Ų1586.6 Ų86.610%0.10141%0.407CS..  trans-132.1133.1-173.8-49.70000109.8W16 V23 N79W16-C20 PolarHBondContact O-N 3.43Å; C20-V23 HydrophobicContact CB-CG2 3.6Å; C20-N79 HydrophobicContact CB-CB 4.21Å; C20-N79 PolarHBondContact SG-ND2 3.23Å
21T61.6Low59.1Low141 Ų14185.6 Ų85.687%0.86540%0.398SS*.SBendtrans-75.7-35.4-180-23.10000110.7D81T21-D81 VanDerWaalsContact CA-OD2 3.32Å; T21-D81 WeakPolarHBondContact CA-OD2 3.16Å; T21-D81 WeakPolarHBondContact CB-OD2 3.43Å; T21-D81 PolarHBondContact N-OD2 3.37Å; T21-D81 PolarHBondContact OG1-OD2 2.66Å
22N55.7Low58.9Low69 Ų6981.2 Ų81.237%0.36938%0.378SS..SBendtrans-124.7108.3178.4-165.17.6000112N79 E80 D81N22-N79 PolarHBondContact O-OD1 3.45Å; N22-E80 HydrophobicContact CB-CB 4.12Å; N22-E80 WeakPolarHBondContact ND2-CB 3.49Å; N22-E80 PolarHBondContact ND2-OE2 3.5Å; N22-E80 PolarHBondContact O-N 2.94Å; N22-D81 WeakPolarHBondContact CB-OD1 3.47Å; N22-D81 PolarHBondContact N-OD2 3.29Å
23V58.9Low59Low30 Ų3085.4 Ų85.418%0.18239%0.392CS..EExtended strand (participates in β ladder)trans-113.2122178.61800000109R17 C20 V78R17-V23 HydrophobicContact CG-CG2 4.41Å; C20-V23 HydrophobicContact CB-CG2 3.6Å; V23-V78 WeakPolarHBondContact CA-O 3.28Å
24S59.4Low59Low17 Ų1785.3 Ų85.312%0.11939%0.392CS..EExtended strand (participates in β ladder)trans-103.2145.3169.257.10000110.9V78 E80 A85S24-V78 PolarHBondContact N-O 2.86Å; S24-V78 PolarHBondContact O-N 2.85Å; S24-V78 PolarHBondContact OG-O 3.14Å; S24-E80 WeakPolarHBondContact CB-OE1 3.39Å; S24-E80 WeakPolarHBondContact OG-CG 3.21Å; S24-E80 PolarHBondContact OG-OE1 3.3Å; S24-A85 WeakPolarHBondContact OG-CB 3.4Å
25I60.3Low58.4Low87 Ų8777.3 Ų77.345%0.44636%0.362SS..EExtended strand (participates in β ladder)trans-100.6116.4172-60.6165.8000105.9F9 L13 D75 L77F9-I25 HydrophobicContact CZ-CD1 4.03Å; L13-I25 HydrophobicContact CD1-CD1 4.48Å; L13-I25 HydrophobicContact CD2-CD1 4.27Å; L13-I25 HydrophobicContact CD2-CG1 4.42Å; I25-D75 HydrophobicContact CG2-CB 4.16Å; I25-L77 HydrophobicContact CG1-CD2 3.81Å
26V62.8Low57.9Low3 Ų378.7 Ų78.72%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-91106.8172.8171.70000107.9L28 I76 V78 A85 N89V26-L28 HydrophobicContact CG1-CD2 4.45Å; V26-L28 PolarHBondContact O-N 3.01Å; V26-I76 HydrophobicContact CB-CB 4.3Å; V26-I76 PolarHBondContact N-O 3.33Å; V26-I76 PolarHBondContact O-N 3.43Å; V26-V78 HydrophobicContact CB-CG2 4.34Å; V26-V78 HydrophobicContact CG2-CB 4.43Å; V26-V78 HydrophobicContact CG2-CG2 3.64Å; V26-A85 HydrophobicContact CG2-CB 4.2Å; V26-N89 WeakPolarHBondContact CG1-OD1 3.21Å
27D62.2Low57.6Low93 Ų9386.2 Ų86.250%0.49739%0.39SS..EExtended strand (participates in β ladder)trans-76.3120.5174.5-165.2-33.7000109.7E29D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 2.81Å; D27-E29 WeakPolarHBondContact OD1-CA 3.44Å; D27-E29 VanDerWaalsContact OD1-CB 3.31Å; D27-E29 WeakPolarHBondContact OD1-CB 3.47Å; D27-E29 PolarHBondContact OD1-N 3.42Å
28L61.9Low57.3Low9 Ų980.5 Ų80.55%0.04738%0.376CS..  trans-87.820.5177.5-66.2171.7000112.8V26 K30 A31 K32 M51 L55 D74 I76 C92V26-L28 HydrophobicContact CG1-CD2 4.45Å; V26-L28 PolarHBondContact O-N 3.01Å; L28-K30 PolarHBondContact O-N 3.3Å; L28-A31 HydrophobicContact CB-CB 4.14Å; L28-A31 HydrophobicContact CD2-CB 4.28Å; L28-A31 CarbonylContact O-C 3.55Å; L28-A31 WeakPolarHBondContact O-CA 3.4Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.9Å; L28-M51 HydrophobicContact CB-CE 3.56Å; L28-M51 HydrophobicContact CD1-CE 3.51Å; L28-M51 HydrophobicContact CG-CE 4.18Å; L28-L55 HydrophobicContact CD1-CD1 3.53Å; L28-L55 HydrophobicContact CD1-CD2 3.53Å; L28-L55 HydrophobicContact CD1-CG 4.1Å; L28-D74 WeakPolarHBondContact CB-O 3.32Å; L28-I76 HydrophobicContact CD1-CD1 3.98Å; L28-I76 HydrophobicContact CD1-CG1 3.83Å; L28-I76 HydrophobicContact CD2-CD1 4.18Å; L28-I76 HydrophobicContact CG-CD1 4.36Å; L28-I76 HydrophobicContact CG-CG1 4.32Å; L28-C92 HydrophobicContact CD2-CB 4.37Å
29E59.2Low56.6Low127 Ų12773.6 Ų73.659%0.59335%0.35SS*.Hα-helixtrans-47.1-40.8-178-160.9-163.6158.800112.7D27 R33D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 2.81Å; D27-E29 WeakPolarHBondContact OD1-CA 3.44Å; D27-E29 VanDerWaalsContact OD1-CB 3.31Å; D27-E29 WeakPolarHBondContact OD1-CB 3.47Å; D27-E29 PolarHBondContact OD1-N 3.42Å; E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 PolarHBondContact O-N 3.39Å
30K57.8Low56.3Low149 Ų14970.2 Ų70.265%0.64834%0.336SS*.Hα-helixtrans-65.7-45.4177-68-176.7-179.2175.60112.4L28 R33 V34 L98L28-K30 PolarHBondContact O-N 3.3Å; K30-R33 PolarHBondContact O-N 2.89Å; K30-V34 PolarHBondContact O-N 2.96Å; K30-V34 VanDerWaalsContact O-N 3.17Å; K30-L98 HydrophobicContact CB-CD2 4.29Å
31A53.5Low56.1Low11 Ų1173.2 Ų73.29%0.09137%0.37CS..Hα-helixtrans-66.1-43.6177.100000111.2L28 R33 V34 Y35 M51 I96L28-A31 HydrophobicContact CB-CB 4.14Å; L28-A31 HydrophobicContact CD2-CB 4.28Å; L28-A31 CarbonylContact O-C 3.55Å; L28-A31 WeakPolarHBondContact O-CA 3.4Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 3.43Å; A31-R33 PolarHBondContact O-N 3.42Å; A31-V34 PolarHBondContact O-N 2.92Å; A31-Y35 WeakPolarHBondContact O-CB 3.49Å; A31-Y35 PolarHBondContact O-N 3.37Å; A31-M51 HydrophobicContact CB-CE 4.28Å; A31-I96 HydrophobicContact CB-CB 4.31Å; A31-I96 HydrophobicContact CB-CG2 3.5Å; A31-I96 VanDerWaalsContact CB-CG2 3.5Å
32K55.7Low55.7Low29 Ų2974.6 Ų74.613%0.12636%0.364CS..Hα-helixtrans-55.6-49.2171.7-72.5-174.8-146.2177.40111.1L28 V34 Y35 Y36 M51 D74 D75L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.9Å; K32-V34 VanDerWaalsContact C-N 3.29Å; K32-V34 PolarHBondContact O-N 2.97Å; K32-Y35 PolarHBondContact O-N 2.65Å; K32-Y36 VanDerWaalsContact C-CD2 3.49Å; K32-Y36 HydrophobicContact CB-CD2 3.86Å; K32-Y36 HydrophobicContact CB-CE2 3.72Å; K32-Y36 HydrophobicContact CD-CE2 4.3Å; K32-Y36 HydrophobicContact CG-CE2 4.24Å; K32-Y36 VanDerWaalsContact O-CB 3.28Å; K32-Y36 WeakPolarHBondContact O-CB 3.43Å; K32-Y36 WeakPolarHBondContact O-CD2 3.45Å; K32-Y36 VanDerWaalsContact O-CG 3.3Å; K32-Y36 PolarHBondContact O-N 2.96Å; K32-M51 HydrophobicContact CG-CE 3.61Å; K32-M51 HydrophobicContact CG-SD 3.74Å; K32-D74 HydrophobicContact CD-CB 4.3Å; K32-D74 WeakPolarHBondContact CD-OD2 3.41Å; K32-D74 VanDerWaalsContact CE-O 3.23Å; K32-D74 WeakPolarHBondContact CE-O 3.32Å; K32-D74 WeakPolarHBondContact CE-OD1 3.1Å; K32-D74 WeakPolarHBondContact CE-OD2 3.21Å; K32-D74 IonicContact NZ-OD1 2.66Å; K32-D74 IonicContact NZ-OD2 3.63Å; K32-D74 PolarHBondContact NZ-OD2 3.29Å; K32-D75 IonicContact NZ-OD1 3.29Å
33R56.4Low55.3Low161 Ų16174.7 Ų74.761%0.60838%0.381SS*.Hα-helixtrans-59.9-41.2-178.9-166.1176.778.3-1497.3111.7E29 K30 A31 R37E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 PolarHBondContact O-N 3.39Å; K30-R33 PolarHBondContact O-N 2.89Å; A31-R33 PolarHBondContact O-N 3.42Å; R33-R37 WeakPolarHBondContact O-CB 3.2Å; R33-R37 PolarHBondContact O-N 3.3Å
34V53.4Low55Low24 Ų2477.6 Ų77.615%0.14540%0.395CS..Hα-helixtrans-67.3-46.8175.8173.10000110.9K30 A31 K32 Y36 R37 T38 L98K30-V34 PolarHBondContact O-N 2.96Å; K30-V34 VanDerWaalsContact O-N 3.17Å; A31-V34 PolarHBondContact O-N 2.92Å; K32-V34 VanDerWaalsContact C-N 3.29Å; K32-V34 PolarHBondContact O-N 2.97Å; V34-Y36 PolarHBondContact O-N 3.05Å; V34-R37 PolarHBondContact O-N 3.26Å; V34-T38 PolarHBondContact O-N 2.88Å; V34-T38 PolarHBondContact O-OG1 3.21Å; V34-L98 HydrophobicContact CG2-CD2 3.71Å
35Y52.4Low54.9Low13 Ų1381.5 Ų81.55%0.05142%0.415CS..Hα-helixtrans-59.1-45.8177.2-177.2-78.3000112A31 K32 R37 T38 R39 V47 I50 W114A31-Y35 WeakPolarHBondContact O-CB 3.49Å; A31-Y35 PolarHBondContact O-N 3.37Å; K32-Y35 PolarHBondContact O-N 2.65Å; Y35-R37 VanDerWaalsContact C-N 3.32Å; Y35-R37 PolarHBondContact O-N 3.06Å; Y35-T38 PolarHBondContact O-N 2.83Å; Y35-R39 HydrophobicContact CE1-CB 4.15Å; Y35-R39 WeakPolarHBondContact O-CB 3.42Å; Y35-R39 PolarHBondContact O-N 3.33Å; Y35-V47 HydrophobicContact CD1-CB 4.49Å; Y35-V47 HydrophobicContact CD1-CG1 3.49Å; Y35-V47 VanDerWaalsContact CD1-CG1 3.49Å; Y35-V47 HydrophobicContact CD1-CG2 4.45Å; Y35-V47 HydrophobicContact CE1-CB 3.67Å; Y35-V47 HydrophobicContact CE1-CG1 3.11Å; Y35-V47 HydrophobicContact CE1-CG2 3.45Å; Y35-V47 VanDerWaalsContact CE1-CG2 3.45Å; Y35-I50 HydrophobicContact CE2-CG2 3.89Å; Y35-I50 WeakPolarHBondContact OH-CB 3.16Å; Y35-I50 WeakPolarHBondContact OH-CD1 3.35Å; Y35-I50 WeakPolarHBondContact OH-CG2 3.14Å; Y35-W114 HydrophobicContact CD2-CH2 4.18Å; Y35-W114 HydrophobicContact CD2-CZ2 4.27Å; Y35-W114 HydrophobicContact CE2-CH2 4.43Å; Y35-W114 HydrophobicContact CE2-CZ2 4.25Å
36Y54.2Low54.9Low83 Ų8380.2 Ų80.233%0.32541%0.411SS..Hα-helixtrans-64-39.2177.1-73.4-54.8000111.4K32 V34 L40 V47K32-Y36 VanDerWaalsContact C-CD2 3.49Å; K32-Y36 HydrophobicContact CB-CD2 3.86Å; K32-Y36 HydrophobicContact CB-CE2 3.72Å; K32-Y36 HydrophobicContact CD-CE2 4.3Å; K32-Y36 HydrophobicContact CG-CE2 4.24Å; K32-Y36 VanDerWaalsContact O-CB 3.28Å; K32-Y36 WeakPolarHBondContact O-CB 3.43Å; K32-Y36 WeakPolarHBondContact O-CD2 3.45Å; K32-Y36 VanDerWaalsContact O-CG 3.3Å; K32-Y36 PolarHBondContact O-N 2.96Å; V34-Y36 PolarHBondContact O-N 3.05Å; Y36-L40 HydrophobicContact CD1-CB 3.98Å; Y36-L40 HydrophobicContact CD1-CD1 3.62Å; Y36-L40 HydrophobicContact CD1-CD2 3.65Å; Y36-L40 HydrophobicContact CD1-CG 3.92Å; Y36-L40 HydrophobicContact CE1-CD1 3.81Å; Y36-L40 HydrophobicContact CE1-CD2 4.19Å; Y36-L40 HydrophobicContact CG-CD2 4.5Å; Y36-L40 WeakPolarHBondContact O-CB 3.43Å; Y36-L40 PolarHBondContact O-N 3.3Å; Y36-L40 VanDerWaalsContact O-N 3.1Å; Y36-V47 HydrophobicContact CD1-CG1 4.01Å; Y36-V47 HydrophobicContact CE1-CB 4.35Å; Y36-V47 HydrophobicContact CE1-CG1 3.37Å
37R52.4Low54.7Low192 Ų19280.3 Ų80.373%0.72541%0.411SS*.Hα-helixtrans-69.6-32.1179.5-165.9176.5-168.9-170.64.1113.1R33 V34 Y35R33-R37 WeakPolarHBondContact O-CB 3.2Å; R33-R37 PolarHBondContact O-N 3.3Å; V34-R37 PolarHBondContact O-N 3.26Å; Y35-R37 VanDerWaalsContact C-N 3.32Å; Y35-R37 PolarHBondContact O-N 3.06Å
38T51.7Low54.6Low67 Ų6777.3 Ų77.341%0.41140%0.397SS..Hα-helixtrans-100.1-21.1-176.558.40000114.2V34 Y35 A112V34-T38 PolarHBondContact O-N 2.88Å; V34-T38 PolarHBondContact O-OG1 3.21Å; Y35-T38 PolarHBondContact O-N 2.83Å; T38-A112 HydrophobicContact CG2-CB 3.91Å
39R50.5Low54.6Low79 Ų7982.1 Ų82.130%0.29842%0.422SS..Hα-helixtrans-128-14.1-176.2-70.7-160.5173.2-134.61.8116.7Y35 G41Y35-R39 HydrophobicContact CE1-CB 4.15Å; Y35-R39 WeakPolarHBondContact O-CB 3.42Å; Y35-R39 PolarHBondContact O-N 3.33Å; R39-G41 VanDerWaalsContact C-N 3.27Å; R39-G41 PolarHBondContact O-N 3.43Å
40L48.7Very low54.7Low76 Ų7676.9 Ų76.940%0.39840%0.398SS..G310 helixtrans-80.3-4.6179.4-150.577.7000113.9Y36 F42 G43 V47Y36-L40 HydrophobicContact CD1-CB 3.98Å; Y36-L40 HydrophobicContact CD1-CD1 3.62Å; Y36-L40 HydrophobicContact CD1-CD2 3.65Å; Y36-L40 HydrophobicContact CD1-CG 3.92Å; Y36-L40 HydrophobicContact CE1-CD1 3.81Å; Y36-L40 HydrophobicContact CE1-CD2 4.19Å; Y36-L40 HydrophobicContact CG-CD2 4.5Å; Y36-L40 WeakPolarHBondContact O-CB 3.43Å; Y36-L40 PolarHBondContact O-N 3.3Å; Y36-L40 VanDerWaalsContact O-N 3.1Å; L40-F42 PolarHBondContact O-N 3.18Å; L40-G43 PolarHBondContact O-N 2.84Å; L40-V47 HydrophobicContact CD1-CB 4.06Å; L40-V47 HydrophobicContact CD1-CG1 4.34Å; L40-V47 HydrophobicContact CD1-CG2 3.41Å; L40-V47 VanDerWaalsContact CD1-CG2 3.41Å
41G48.6Very low55Low78 Ų7870.1 Ų70.180%0.80437%0.369SS*.G310 helixtrans-57.6-12.8169.100000114.2R39R39-G41 VanDerWaalsContact C-N 3.27Å; R39-G41 PolarHBondContact O-N 3.43Å
42F54Low55.5Low170 Ų17072.1 Ų72.175%0.74638%0.378SS*.G310 helixtrans-99.94.7-179-71.8-81.4000115.3L40 L44L40-F42 PolarHBondContact O-N 3.18Å; F42-L44 HydrophobicContact CB-CD1 4.25Å; F42-L44 HydrophobicContact CB-CG 4.15Å; F42-L44 PolarHBondContact O-N 2.83Å; F42-L44 VanDerWaalsContact O-N 3.13Å
43G48Very low55.9Low71 Ų7173 Ų7373%0.73238%0.384SS*.  trans64.819.5173.200000115.3L40 N45L40-G43 PolarHBondContact O-N 2.84Å; G43-N45 PolarHBondContact O-N 2.83Å
44L52.9Low56.3Low91 Ų9166 Ų6648%0.47636%0.359SS..  trans-81.2117.4-175.1-66.8175.2000111.4F42 V46 V47F42-L44 HydrophobicContact CB-CD1 4.25Å; F42-L44 HydrophobicContact CB-CG 4.15Å; F42-L44 PolarHBondContact O-N 2.83Å; F42-L44 VanDerWaalsContact O-N 3.13Å; L44-V46 HydrophobicContact CB-CG2 3.72Å; L44-V46 HydrophobicContact CD1-CG2 4.21Å; L44-V46 HydrophobicContact CG-CG2 4.41Å; L44-V46 PolarHBondContact O-N 3.11Å; L44-V47 WeakPolarHBondContact O-CG2 2.99Å
45N56.5Low56.9Low99 Ų9964.8 Ų64.853%0.52935%0.352SS..THydrogen-bonded Turntrans-69.34.9171.5-158.423000113.1F2 G43F2-N45 WeakPolarHBondContact CD2-OD1 2.78Å; F2-N45 HydrophobicContact CE2-CB 4.35Å; F2-N45 WeakPolarHBondContact CE2-ND2 2.91Å; F2-N45 WeakPolarHBondContact CE2-O 3.4Å; F2-N45 WeakPolarHBondContact CE2-OD1 2.95Å; F2-N45 WeakPolarHBondContact CZ-ND2 3.1Å; G43-N45 PolarHBondContact O-N 2.83Å
46V59.7Low57.6Low59 Ų5967.8 Ų67.836%0.35837%0.366SS..THydrogen-bonded Turntrans-92.8-1.5-178.8-58.70000113.7L44 L49 I50L44-V46 HydrophobicContact CB-CG2 3.72Å; L44-V46 HydrophobicContact CD1-CG2 4.21Å; L44-V46 HydrophobicContact CG-CG2 4.41Å; L44-V46 PolarHBondContact O-N 3.11Å; V46-L49 WeakPolarHBondContact O-CA 3.38Å; V46-L49 VanDerWaalsContact O-CB 3.32Å; V46-L49 WeakPolarHBondContact O-CB 3.19Å; V46-L49 PolarHBondContact O-N 3.11Å; V46-I50 HydrophobicContact CG2-CD1 3.8Å; V46-I50 HydrophobicContact CG2-CG1 4.38Å; V46-I50 PolarHBondContact O-N 2.62Å
47V59.7Low58Low5 Ų565.7 Ų65.73%0.0336%0.363CS..Hα-helixtrans-53.3-46.8-176.6159.60000114.3Y35 Y36 L40 L44 L49 I50 M51Y35-V47 HydrophobicContact CD1-CB 4.49Å; Y35-V47 HydrophobicContact CD1-CG1 3.49Å; Y35-V47 VanDerWaalsContact CD1-CG1 3.49Å; Y35-V47 HydrophobicContact CD1-CG2 4.45Å; Y35-V47 HydrophobicContact CE1-CB 3.67Å; Y35-V47 HydrophobicContact CE1-CG1 3.11Å; Y35-V47 HydrophobicContact CE1-CG2 3.45Å; Y35-V47 VanDerWaalsContact CE1-CG2 3.45Å; Y36-V47 HydrophobicContact CD1-CG1 4.01Å; Y36-V47 HydrophobicContact CE1-CB 4.35Å; Y36-V47 HydrophobicContact CE1-CG1 3.37Å; L40-V47 HydrophobicContact CD1-CB 4.06Å; L40-V47 HydrophobicContact CD1-CG1 4.34Å; L40-V47 HydrophobicContact CD1-CG2 3.41Å; L40-V47 VanDerWaalsContact CD1-CG2 3.41Å; L44-V47 WeakPolarHBondContact O-CG2 2.99Å; V47-L49 PolarHBondContact O-N 2.75Å; V47-I50 PolarHBondContact O-N 3.04Å; V47-M51 PolarHBondContact O-N 3.01Å
48P59.1Low58.6Low30 Ų3056.9 Ų56.920%0.19533%0.331CS..Hα-helixtrans-65.8-27.7177.5-18.531.3000113.1N52 V73P48-N52 VanDerWaalsContact O-CB 3.31Å; P48-N52 WeakPolarHBondContact O-CB 3.39Å; P48-N52 PolarHBondContact O-N 3.03Å; P48-V73 HydrophobicContact CB-CG1 3.68Å
49L61.6Low59.3Low110 Ų11053.8 Ų53.858%0.57631%0.311SS*.Hα-helixtrans-70.4-45.7175.6-63.1172.8000111.1V46 V47 M51 N52 I53V46-L49 WeakPolarHBondContact O-CA 3.38Å; V46-L49 VanDerWaalsContact O-CB 3.32Å; V46-L49 WeakPolarHBondContact O-CB 3.19Å; V46-L49 PolarHBondContact O-N 3.11Å; V47-L49 PolarHBondContact O-N 2.75Å; L49-M51 VanDerWaalsContact C-N 3.32Å; L49-M51 PolarHBondContact O-N 3.29Å; L49-N52 PolarHBondContact O-N 3Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.07Å; L49-I53 PolarHBondContact O-N 2.8Å
50I62.7Low60.1Low17 Ų1752.6 Ų52.69%0.08732%0.316CS..Hα-helixtrans-61.6-44.9176.7-64.8171.5000109.8Y35 V46 V47 N52 I53 V54 L128 I132Y35-I50 HydrophobicContact CE2-CG2 3.89Å; Y35-I50 WeakPolarHBondContact OH-CB 3.16Å; Y35-I50 WeakPolarHBondContact OH-CD1 3.35Å; Y35-I50 WeakPolarHBondContact OH-CG2 3.14Å; V46-I50 HydrophobicContact CG2-CD1 3.8Å; V46-I50 HydrophobicContact CG2-CG1 4.38Å; V46-I50 PolarHBondContact O-N 2.62Å; V47-I50 PolarHBondContact O-N 3.04Å; I50-N52 VanDerWaalsContact C-N 3.34Å; I50-N52 PolarHBondContact O-N 2.98Å; I50-I53 PolarHBondContact O-N 2.94Å; I50-V54 HydrophobicContact CG2-CG2 4.32Å; I50-V54 WeakPolarHBondContact O-CB 3.24Å; I50-V54 VanDerWaalsContact O-CG2 3.28Å; I50-V54 WeakPolarHBondContact O-CG2 3.24Å; I50-V54 PolarHBondContact O-N 2.83Å; I50-L128 HydrophobicContact CG2-CD1 4.32Å; I50-L128 HydrophobicContact CG2-CD2 4.37Å; I50-I132 HydrophobicContact CG1-CD1 4.25Å
51M63.2Low61Low7 Ų753 Ų533%0.03432%0.315CS..Hα-helixtrans-61.6-42.1178-173.3152.8-178.300111.9L28 A31 K32 V47 L49 I53 V54 L55L28-M51 HydrophobicContact CB-CE 3.56Å; L28-M51 HydrophobicContact CD1-CE 3.51Å; L28-M51 HydrophobicContact CG-CE 4.18Å; A31-M51 HydrophobicContact CB-CE 4.28Å; K32-M51 HydrophobicContact CG-CE 3.61Å; K32-M51 HydrophobicContact CG-SD 3.74Å; V47-M51 PolarHBondContact O-N 3.01Å; L49-M51 VanDerWaalsContact C-N 3.32Å; L49-M51 PolarHBondContact O-N 3.29Å; M51-I53 PolarHBondContact O-N 2.7Å; M51-V54 PolarHBondContact O-N 2.98Å; M51-L55 HydrophobicContact CG-CD1 4.03Å; M51-L55 HydrophobicContact CG-CG 4.48Å; M51-L55 WeakPolarHBondContact O-CB 3.33Å; M51-L55 WeakPolarHBondContact O-CG 3.45Å; M51-L55 PolarHBondContact O-N 2.88Å
52N63.6Low61.8Low53 Ų5351.4 Ų51.428%0.28329%0.288SS..Hα-helixtrans-63.6-41.5175.5-167.67.8000112.3P48 L49 I50 L55 E56 T71P48-N52 VanDerWaalsContact O-CB 3.31Å; P48-N52 WeakPolarHBondContact O-CB 3.39Å; P48-N52 PolarHBondContact O-N 3.03Å; L49-N52 PolarHBondContact O-N 3Å; I50-N52 VanDerWaalsContact C-N 3.34Å; I50-N52 PolarHBondContact O-N 2.98Å; N52-L55 PolarHBondContact O-N 2.81Å; N52-E56 WeakPolarHBondContact O-CB 3.2Å; N52-E56 WeakPolarHBondContact O-CG 3.24Å; N52-E56 PolarHBondContact O-N 2.75Å; N52-T71 PolarHBondContact OD1-OG1 3.35Å
53I64.2Low62.4Low48 Ų4846.5 Ų46.525%0.24628%0.275CS..Hα-helixtrans-64.2-43.8177.2-70.1166.4000111.2L49 I50 M51 E56 C57 V131 I132L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.07Å; L49-I53 PolarHBondContact O-N 2.8Å; I50-I53 PolarHBondContact O-N 2.94Å; M51-I53 PolarHBondContact O-N 2.7Å; I53-E56 PolarHBondContact O-N 3.15Å; I53-C57 VanDerWaalsContact O-CB 3.31Å; I53-C57 WeakPolarHBondContact O-CB 3.25Å; I53-C57 PolarHBondContact O-N 2.82Å; I53-V131 HydrophobicContact CG2-CG1 3.57Å; I53-I132 HydrophobicContact CD1-CB 4.3Å; I53-I132 HydrophobicContact CD1-CG1 3.77Å; I53-I132 HydrophobicContact CD1-CG2 4.25Å; I53-I132 HydrophobicContact CG2-CG1 4.29Å
54V64.7Low63.3Low13 Ų1347.1 Ų47.18%0.07926%0.259CS..Hα-helixtrans-60.6-48.5175.21660000110.1I50 M51 E56 C57 V58 I96 W114 L128I50-V54 HydrophobicContact CG2-CG2 4.32Å; I50-V54 WeakPolarHBondContact O-CB 3.24Å; I50-V54 VanDerWaalsContact O-CG2 3.28Å; I50-V54 WeakPolarHBondContact O-CG2 3.24Å; I50-V54 PolarHBondContact O-N 2.83Å; M51-V54 PolarHBondContact O-N 2.98Å; V54-E56 PolarHBondContact O-N 3.37Å; V54-C57 WeakPolarHBondContact O-CB 3.3Å; V54-C57 PolarHBondContact O-N 3.33Å; V54-V58 HydrophobicContact CG1-CG2 4.3Å; V54-V58 WeakPolarHBondContact O-CB 3.44Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.45Å; V54-V58 PolarHBondContact O-N 3.16Å; V54-I96 HydrophobicContact CG1-CG1 4.31Å; V54-W114 HydrophobicContact CB-CH2 4.25Å; V54-W114 HydrophobicContact CB-CZ3 4.3Å; V54-W114 HydrophobicContact CG1-CE3 4.19Å; V54-W114 HydrophobicContact CG1-CH2 3.76Å; V54-W114 HydrophobicContact CG1-CZ3 3.37Å; V54-W114 HydrophobicContact CG2-CH2 3.65Å; V54-W114 HydrophobicContact CG2-CZ2 4.1Å; V54-W114 HydrophobicContact CG2-CZ3 4.01Å; V54-L128 HydrophobicContact CG2-CD1 4.32Å
55L67Low63.9Low0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-60.9-47.6178.5-71.8166.8000111L28 M51 N52 C57 V58 L59 T71 I76 I96L28-L55 HydrophobicContact CD1-CD1 3.53Å; L28-L55 HydrophobicContact CD1-CD2 3.53Å; L28-L55 HydrophobicContact CD1-CG 4.1Å; M51-L55 HydrophobicContact CG-CD1 4.03Å; M51-L55 HydrophobicContact CG-CG 4.48Å; M51-L55 WeakPolarHBondContact O-CB 3.33Å; M51-L55 WeakPolarHBondContact O-CG 3.45Å; M51-L55 PolarHBondContact O-N 2.88Å; N52-L55 PolarHBondContact O-N 2.81Å; L55-C57 VanDerWaalsContact C-N 3.28Å; L55-C57 PolarHBondContact O-N 3.22Å; L55-V58 PolarHBondContact O-N 2.98Å; L55-L59 HydrophobicContact CB-CD1 4.5Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 WeakPolarHBondContact O-CD1 3.19Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.2Å; L55-T71 HydrophobicContact CB-CG2 3.46Å; L55-T71 VanDerWaalsContact CB-CG2 3.46Å; L55-T71 HydrophobicContact CD1-CG2 4.14Å; L55-T71 HydrophobicContact CG-CG2 4.35Å; L55-I76 HydrophobicContact CD2-CD1 3.61Å; L55-I76 HydrophobicContact CD2-CG1 4.06Å; L55-I96 HydrophobicContact CD2-CD1 3.49Å; L55-I96 VanDerWaalsContact CD2-CD1 3.49Å; L55-I96 HydrophobicContact CG-CD1 4.35Å
56E66.9Low64.5Low75 Ų7543.1 Ų43.135%0.3523%0.234SC..Hα-helixtrans-57-40.8174.6-81.2-71.9155.500112.5N52 I53 V54 S60 K66N52-E56 WeakPolarHBondContact O-CB 3.2Å; N52-E56 WeakPolarHBondContact O-CG 3.24Å; N52-E56 PolarHBondContact O-N 2.75Å; I53-E56 PolarHBondContact O-N 3.15Å; V54-E56 PolarHBondContact O-N 3.37Å; E56-S60 WeakPolarHBondContact O-CB 3.22Å; E56-S60 PolarHBondContact O-N 3.3Å; E56-S60 PolarHBondContact O-OG 2.88Å; E56-K66 IonicContact OE2-NZ 3.48Å
57C63.2Low64.8Low40 Ų4048.9 Ų48.927%0.2725%0.249SC..Hα-helixtrans-64.5-52.3176.5-172.20000111I53 V54 L55 L59 S60 Q61 V131I53-C57 VanDerWaalsContact O-CB 3.31Å; I53-C57 WeakPolarHBondContact O-CB 3.25Å; I53-C57 PolarHBondContact O-N 2.82Å; V54-C57 WeakPolarHBondContact O-CB 3.3Å; V54-C57 PolarHBondContact O-N 3.33Å; L55-C57 VanDerWaalsContact C-N 3.28Å; L55-C57 PolarHBondContact O-N 3.22Å; C57-L59 PolarHBondContact O-N 3.5Å; C57-S60 WeakPolarHBondContact O-CB 3.49Å; C57-S60 PolarHBondContact O-N 3.43Å; C57-S60 PolarHBondContact O-OG 2.88Å; C57-Q61 WeakPolarHBondContact O-CG 3.24Å; C57-Q61 PolarHBondContact O-N 2.77Å; C57-V131 HydrophobicContact CB-CG1 4.35Å
58V65.1Low64.9Low7 Ų752.5 Ų52.54%0.04226%0.262CS..Hα-helixtrans-57.6-47.4177.7167.50000111.8V54 L55 S60 Q61 H91 W95V54-V58 HydrophobicContact CG1-CG2 4.3Å; V54-V58 WeakPolarHBondContact O-CB 3.44Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.45Å; V54-V58 PolarHBondContact O-N 3.16Å; L55-V58 PolarHBondContact O-N 2.98Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 PolarHBondContact O-N 2.84Å; V58-Q61 PolarHBondContact O-N 3.29Å; V58-H91 PolarHBondContact O-CE1 2.86Å; V58-W95 HydrophobicContact CB-CB 4.07Å; V58-W95 HydrophobicContact CB-CG 4.28Å; V58-W95 HydrophobicContact CG1-CB 3.5Å; V58-W95 VanDerWaalsContact CG1-CD1 3.48Å; V58-W95 HydrophobicContact CG1-CD2 4.38Å; V58-W95 HydrophobicContact CG1-CG 3.52Å; V58-W95 HydrophobicContact CG2-CB 3.37Å; V58-W95 HydrophobicContact CG2-CD2 4.39Å; V58-W95 HydrophobicContact CG2-CG 3.91Å
59L65.7Low64.9Low1 Ų151.6 Ų51.61%0.00526%0.256CS..Hα-helixtrans-67.7-32.2178.9-59.7167.2000110.2L55 C57 Q61 D62 V65 K66 T69 T71L55-L59 HydrophobicContact CB-CD1 4.5Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 WeakPolarHBondContact O-CD1 3.19Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.2Å; C57-L59 PolarHBondContact O-N 3.5Å; L59-Q61 VanDerWaalsContact C-N 3.28Å; L59-Q61 PolarHBondContact O-N 3.38Å; L59-D62 CarbonylContact O-C 3.54Å; L59-D62 PolarHBondContact O-N 3.48Å; L59-V65 HydrophobicContact CB-CG1 4.43Å; L59-V65 HydrophobicContact CD2-CG1 3.35Å; L59-V65 HydrophobicContact CG-CG1 4.44Å; L59-K66 WeakPolarHBondContact O-CB 3.31Å; L59-K66 PolarHBondContact O-N 3.3Å; L59-T69 WeakPolarHBondContact CD1-OG1 3.42Å; L59-T69 HydrophobicContact CD2-CG2 4.1Å; L59-T69 WeakPolarHBondContact CD2-OG1 3.07Å; L59-T71 HydrophobicContact CD1-CG2 3.31Å
60S67.7Low64.9Low55 Ų5547.4 Ų47.439%0.38524%0.236SC..Hα-helixtrans-69-20.1176.675.50000115.6E56 C57 V58 D62E56-S60 WeakPolarHBondContact O-CB 3.22Å; E56-S60 PolarHBondContact O-N 3.3Å; E56-S60 PolarHBondContact O-OG 2.88Å; C57-S60 WeakPolarHBondContact O-CB 3.49Å; C57-S60 PolarHBondContact O-N 3.43Å; C57-S60 PolarHBondContact O-OG 2.88Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 PolarHBondContact O-N 2.84Å; S60-D62 VanDerWaalsContact C-N 3.25Å; S60-D62 PolarHBondContact O-N 2.83Å
61Q66.2Low64.9Low84 Ų8446.8 Ų46.839%0.39323%0.233SC..Hα-helixtrans-68.5-29.8174.8-63.5-169.765.400112C57 V58 L59 W95C57-Q61 WeakPolarHBondContact O-CG 3.24Å; C57-Q61 PolarHBondContact O-N 2.77Å; V58-Q61 PolarHBondContact O-N 3.29Å; L59-Q61 VanDerWaalsContact C-N 3.28Å; L59-Q61 PolarHBondContact O-N 3.38Å; Q61-W95 VanDerWaalsContact NE2-CH2 3.29Å; Q61-W95 VanDerWaalsContact OE1-CZ2 3.29Å; Q61-W95 VanDerWaalsContact OE1-CZ3 3.25Å
62D65.7Low64.6Low44 Ų4447.6 Ų47.624%0.23524%0.236CC..SBendtrans-11297.3171.2-174.9-28.3000109.2L59 S60 E64 V65 K66L59-D62 CarbonylContact O-C 3.54Å; L59-D62 PolarHBondContact O-N 3.48Å; S60-D62 VanDerWaalsContact C-N 3.25Å; S60-D62 PolarHBondContact O-N 2.83Å; D62-E64 PolarHBondContact O-N 2.97Å; D62-E64 VanDerWaalsContact O-N 3.08Å; D62-E64 WeakPolarHBondContact OD1-CA 3.18Å; D62-E64 VanDerWaalsContact OD1-CB 3.27Å; D62-E64 WeakPolarHBondContact OD1-CB 3.43Å; D62-E64 PolarHBondContact OD1-N 3.26Å; D62-V65 HydrophobicContact CB-CB 3.83Å; D62-V65 HydrophobicContact CB-CG2 3.76Å; D62-V65 CarbonylContact O-C 3.34Å; D62-V65 WeakPolarHBondContact O-CA 3.38Å; D62-V65 WeakPolarHBondContact O-CB 3.43Å; D62-V65 PolarHBondContact O-N 2.84Å; D62-V65 PolarHBondContact OD1-N 2.87Å; D62-V65 WeakPolarHBondContact OD2-CG2 3.31Å; D62-K66 PolarHBondContact O-N 2.69Å
63S67.6Low64.2Low68 Ų6846.8 Ų46.848%0.47623%0.233SC..Hα-helixtrans-60.9-20-178.961.80000113.9R67S63-R67 WeakPolarHBondContact O-CG 3.41Å; S63-R67 PolarHBondContact O-N 3.42Å; S63-R67 PolarHBondContact O-NE 3.33Å; S63-R67 PolarHBondContact O-NH2 2.83Å
64E66.8Low63.9Low83 Ų8345.9 Ų45.939%0.38823%0.228SC..Hα-helixtrans-74.4-41.9169.9-171.5170.2-162.600111.4D62 R68D62-E64 PolarHBondContact O-N 2.97Å; D62-E64 VanDerWaalsContact O-N 3.08Å; D62-E64 WeakPolarHBondContact OD1-CA 3.18Å; D62-E64 VanDerWaalsContact OD1-CB 3.27Å; D62-E64 WeakPolarHBondContact OD1-CB 3.43Å; D62-E64 PolarHBondContact OD1-N 3.26Å; E64-R68 WeakPolarHBondContact O-CB 3.31Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3Å; E64-R68 IonicContact OE1-CZ 2.79Å; E64-R68 IonicContact OE1-NE 3.89Å; E64-R68 PolarHBondContact OE1-NE 2.96Å; E64-R68 IonicContact OE1-NH2 3.91Å; E64-R68 PolarHBondContact OE1-NH2 3.23Å
65V65.8Low63.5Low8 Ų846.9 Ų46.95%0.04823%0.233CC..Hα-helixtrans-65.3-50174.2176.80000110.5L59 D62 R67 R68 T69L59-V65 HydrophobicContact CB-CG1 4.43Å; L59-V65 HydrophobicContact CD2-CG1 3.35Å; L59-V65 HydrophobicContact CG-CG1 4.44Å; D62-V65 HydrophobicContact CB-CB 3.83Å; D62-V65 HydrophobicContact CB-CG2 3.76Å; D62-V65 CarbonylContact O-C 3.34Å; D62-V65 WeakPolarHBondContact O-CA 3.38Å; D62-V65 WeakPolarHBondContact O-CB 3.43Å; D62-V65 PolarHBondContact O-N 2.84Å; D62-V65 PolarHBondContact OD1-N 2.87Å; D62-V65 WeakPolarHBondContact OD2-CG2 3.31Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.91Å; V65-R68 CarbonylContact O-C 3.3Å; V65-R68 WeakPolarHBondContact O-CA 3.37Å; V65-R68 PolarHBondContact O-N 3.42Å; V65-T69 HydrophobicContact CG1-CG2 3.67Å; V65-T69 PolarHBondContact O-N 3.32Å; V65-T69 PolarHBondContact O-OG1 3.24Å
66K68.6Low63.3Low98 Ų9846.9 Ų46.943%0.42623%0.233SC..Hα-helixtrans-52.5-43.1178.3-168.3172.1-173.9158.30113.3E56 L59 D62 R68E56-K66 IonicContact OE2-NZ 3.48Å; L59-K66 WeakPolarHBondContact O-CB 3.31Å; L59-K66 PolarHBondContact O-N 3.3Å; D62-K66 PolarHBondContact O-N 2.69Å; K66-R68 PolarHBondContact O-N 3.2Å
67R65.4Low63Low181 Ų18143.3 Ų43.368%0.68322%0.217SC*.Hα-helixtrans-67.4-20.8179.1-77.6-172.6-67.6-98.9-3.4112.8S63 V65S63-R67 WeakPolarHBondContact O-CG 3.41Å; S63-R67 PolarHBondContact O-N 3.42Å; S63-R67 PolarHBondContact O-NE 3.33Å; S63-R67 PolarHBondContact O-NH2 2.83Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.91Å
68R62.5Low62.8Low81 Ų8141.4 Ų41.431%0.30620%0.204SC..Hα-helixtrans-120.85.6-169.3-58.6-177.4-160.8-110.525.9113.3W16 E64 V65 K66 N79 V82W16-R68 VanDerWaalsContact CH2-C 3.44Å; W16-R68 VanDerWaalsContact CH2-O 3.31Å; W16-R68 WeakPolarHBondContact CH2-O 3.28Å; W16-R68 VanDerWaalsContact CZ3-O 3.28Å; W16-R68 WeakPolarHBondContact CZ3-O 3.47Å; E64-R68 WeakPolarHBondContact O-CB 3.31Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3Å; E64-R68 IonicContact OE1-CZ 2.79Å; E64-R68 IonicContact OE1-NE 3.89Å; E64-R68 PolarHBondContact OE1-NE 2.96Å; E64-R68 IonicContact OE1-NH2 3.91Å; E64-R68 PolarHBondContact OE1-NH2 3.23Å; V65-R68 CarbonylContact O-C 3.3Å; V65-R68 WeakPolarHBondContact O-CA 3.37Å; V65-R68 PolarHBondContact O-N 3.42Å; K66-R68 PolarHBondContact O-N 3.2Å; R68-N79 PolarHBondContact O-N 3.34Å; R68-V82 VanDerWaalsContact CD-CG1 3.45Å; R68-V82 VanDerWaalsContact NE-CG1 3.29Å; R68-V82 VanDerWaalsContact NH2-CG1 3.26Å
69T59.4Low62.6Low11 Ų1141.9 Ų41.97%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-126.7134.3171.857.80000111.9L59 V65 I76 L77 V78L59-T69 WeakPolarHBondContact CD1-OG1 3.42Å; L59-T69 HydrophobicContact CD2-CG2 4.1Å; L59-T69 WeakPolarHBondContact CD2-OG1 3.07Å; V65-T69 HydrophobicContact CG1-CG2 3.67Å; V65-T69 PolarHBondContact O-N 3.32Å; V65-T69 PolarHBondContact O-OG1 3.24Å; T69-I76 HydrophobicContact CG2-CG2 3.89Å; T69-L77 WeakPolarHBondContact CA-O 3.38Å; T69-V78 HydrophobicContact CG2-CG2 4.16Å
70S61.2Low62.5Low21 Ų2144.7 Ų44.715%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-112.9130165.1173.30000108.1W16 L77W16-S70 VanDerWaalsContact CE2-CB 3.48Å; W16-S70 VanDerWaalsContact CZ2-N 3.34Å; S70-L77 PolarHBondContact N-O 2.85Å; S70-L77 PolarHBondContact O-N 2.95Å
71T62.8Low62.1Low4 Ų446 Ų463%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-81.9140.1168.858.80000108.9K12 N52 L55 L59K12-T71 PolarHBondContact NZ-O 3.5Å; N52-T71 PolarHBondContact OD1-OG1 3.35Å; L55-T71 HydrophobicContact CB-CG2 3.46Å; L55-T71 VanDerWaalsContact CB-CG2 3.46Å; L55-T71 HydrophobicContact CD1-CG2 4.14Å; L55-T71 HydrophobicContact CG-CG2 4.35Å; L59-T71 HydrophobicContact CD1-CG2 3.31Å
72Y56.5Low61.7Low24 Ų2444.6 Ų44.69%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-134.695.8164.9-177.7-106.4000108.8A4 D5 V8 F9 K12 D74 D75A4-Y72 HydrophobicContact CB-CE1 3.51Å; D5-Y72 PolarHBondContact N-OH 2.9Å; D5-Y72 PolarHBondContact O-OH 2.87Å; V8-Y72 HydrophobicContact CB-CE2 4.22Å; V8-Y72 HydrophobicContact CG1-CE2 3.69Å; F9-Y72 HydrophobicContact CB-CD1 4.02Å; F9-Y72 HydrophobicContact CB-CE1 3.65Å; F9-Y72 AromaticContact CD2-CD1 3.48Å; F9-Y72 HydrophobicContact CD2-CD1 3.48Å; F9-Y72 VanDerWaalsContact CD2-CD1 3.48Å; F9-Y72 HydrophobicContact CD2-CE1 4.01Å; F9-Y72 HydrophobicContact CD2-CG 4.08Å; F9-Y72 HydrophobicContact CE2-CD1 4.34Å; F9-Y72 HydrophobicContact CG-CD1 4.15Å; F9-Y72 HydrophobicContact CG-CE1 4.22Å; K12-Y72 HydrophobicContact CD-CD2 4.02Å; Y72-D74 PolarHBondContact O-N 3.34Å; Y72-D75 PolarHBondContact N-O 3.39Å; Y72-D75 PolarHBondContact O-N 3.5Å
73V56.4Low61.4Low36 Ų3643.1 Ų43.122%0.21821%0.211CC..THydrogen-bonded Turntrans64.2-55.8179-173.70000112.7A4 P48A4-V73 HydrophobicContact CB-CG2 4.05Å; P48-V73 HydrophobicContact CB-CG1 3.68Å
74D56.3Low61.2Low30 Ų3045 Ų4516%0.1622%0.216CC..THydrogen-bonded Turntrans-156.5-19.4-146.8-106.613000110.8L28 K32 Y72L28-D74 WeakPolarHBondContact CB-O 3.32Å; K32-D74 HydrophobicContact CD-CB 4.3Å; K32-D74 WeakPolarHBondContact CD-OD2 3.41Å; K32-D74 VanDerWaalsContact CE-O 3.23Å; K32-D74 WeakPolarHBondContact CE-O 3.32Å; K32-D74 WeakPolarHBondContact CE-OD1 3.1Å; K32-D74 WeakPolarHBondContact CE-OD2 3.21Å; K32-D74 IonicContact NZ-OD1 2.66Å; K32-D74 IonicContact NZ-OD2 3.63Å; K32-D74 PolarHBondContact NZ-OD2 3.29Å; Y72-D74 PolarHBondContact O-N 3.34Å
75D57.6Low60.9Low33 Ų3341.8 Ų41.818%0.17620%0.203CC..EExtended strand (participates in β ladder)trans-119.8140.1-179-55.3-36.7000110I25 K32 Y72I25-D75 HydrophobicContact CG2-CB 4.16Å; K32-D75 IonicContact NZ-OD1 3.29Å; Y72-D75 PolarHBondContact N-O 3.39Å; Y72-D75 PolarHBondContact O-N 3.5Å
76I62.2Low60.8Low1 Ų144.5 Ų44.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-104.1121.3172.1-49.3175.5000107.8V26 L28 L55 T69 V78 C92V26-I76 HydrophobicContact CB-CB 4.3Å; V26-I76 PolarHBondContact N-O 3.33Å; V26-I76 PolarHBondContact O-N 3.43Å; L28-I76 HydrophobicContact CD1-CD1 3.98Å; L28-I76 HydrophobicContact CD1-CG1 3.83Å; L28-I76 HydrophobicContact CD2-CD1 4.18Å; L28-I76 HydrophobicContact CG-CD1 4.36Å; L28-I76 HydrophobicContact CG-CG1 4.32Å; L55-I76 HydrophobicContact CD2-CD1 3.61Å; L55-I76 HydrophobicContact CD2-CG1 4.06Å; T69-I76 HydrophobicContact CG2-CG2 3.89Å; I76-V78 HydrophobicContact CB-CG2 4.4Å; I76-V78 HydrophobicContact CG2-CG2 3.82Å; I76-C92 HydrophobicContact CD1-CB 4.13Å; I76-C92 WeakPolarHBondContact CD1-SG 3.45Å
77L61.5Low60.6Low0 Ų048 Ų480%023%0.233CC..EExtended strand (participates in β ladder)trans-80.6119.1167.5-60.9177.7000107.9F9 L13 W16 I25 T69 S70F9-L77 HydrophobicContact CE2-CD2 4.36Å; L13-L77 HydrophobicContact CD2-CD1 4.22Å; L13-L77 HydrophobicContact CD2-CD2 3.43Å; L13-L77 VanDerWaalsContact CD2-CD2 3.43Å; L13-L77 HydrophobicContact CD2-CG 4.48Å; L13-L77 HydrophobicContact CG-CD2 4.26Å; W16-L77 HydrophobicContact CD2-CB 4.19Å; W16-L77 HydrophobicContact CD2-CD1 4.2Å; W16-L77 HydrophobicContact CE3-CB 3.86Å; W16-L77 HydrophobicContact CG-CD1 4.1Å; W16-L77 HydrophobicContact CZ3-CB 4.12Å; I25-L77 HydrophobicContact CG1-CD2 3.81Å; T69-L77 WeakPolarHBondContact CA-O 3.38Å; S70-L77 PolarHBondContact N-O 2.85Å; S70-L77 PolarHBondContact O-N 2.95Å
78V57.3Low60.4Low0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-115.2130.2-179.6-177.90000109V23 S24 V26 T69 I76 E80 V83 A88V23-V78 WeakPolarHBondContact CA-O 3.28Å; S24-V78 PolarHBondContact N-O 2.86Å; S24-V78 PolarHBondContact O-N 2.85Å; S24-V78 PolarHBondContact OG-O 3.14Å; V26-V78 HydrophobicContact CB-CG2 4.34Å; V26-V78 HydrophobicContact CG2-CB 4.43Å; V26-V78 HydrophobicContact CG2-CG2 3.64Å; T69-V78 HydrophobicContact CG2-CG2 4.16Å; I76-V78 HydrophobicContact CB-CG2 4.4Å; I76-V78 HydrophobicContact CG2-CG2 3.82Å; V78-E80 PolarHBondContact O-N 2.78Å; V78-V83 HydrophobicContact CG1-CB 4.38Å; V78-V83 VanDerWaalsContact CG1-O 3.28Å; V78-V83 WeakPolarHBondContact CG1-O 3.24Å; V78-A88 HydrophobicContact CB-CB 4.38Å; V78-A88 HydrophobicContact CG1-CB 3.84Å; V78-A88 HydrophobicContact CG2-CB 3.61Å
79N62.2Low60.4Low16 Ų1638.8 Ų38.89%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-81.6105.3169.8-178.3-1.4000110.2C20 N22 R68 D81 V82 V83C20-N79 HydrophobicContact CB-CB 4.21Å; C20-N79 PolarHBondContact SG-ND2 3.23Å; N22-N79 PolarHBondContact O-OD1 3.45Å; R68-N79 PolarHBondContact O-N 3.34Å; N79-D81 VanDerWaalsContact C-N 3.28Å; N79-D81 PolarHBondContact O-N 2.89Å; N79-D81 WeakPolarHBondContact OD1-CB 3.26Å; N79-D81 PolarHBondContact OD1-N 2.86Å; N79-V82 PolarHBondContact O-N 2.81Å; N79-V83 PolarHBondContact O-N 3.38Å
80E62.5Low60.5Low61 Ų6144.8 Ų44.829%0.28523%0.231SC..THydrogen-bonded Turntrans-71.5-19.6-178.9-70.2-161.6159.300114N22 S24 V78 V82 V83 A85N22-E80 HydrophobicContact CB-CB 4.12Å; N22-E80 WeakPolarHBondContact ND2-CB 3.49Å; N22-E80 PolarHBondContact ND2-OE2 3.5Å; N22-E80 PolarHBondContact O-N 2.94Å; S24-E80 WeakPolarHBondContact CB-OE1 3.39Å; S24-E80 WeakPolarHBondContact OG-CG 3.21Å; S24-E80 PolarHBondContact OG-OE1 3.3Å; V78-E80 PolarHBondContact O-N 2.78Å; E80-V82 PolarHBondContact O-N 2.99Å; E80-V83 WeakPolarHBondContact CA-O 3.31Å; E80-A85 HydrophobicContact CG-CB 4.33Å; E80-A85 VanDerWaalsContact OE1-CB 3.24Å; E80-A85 WeakPolarHBondContact OE1-CB 3.4Å
81D59.6Low60.5Low83 Ų8345.6 Ų45.644%0.44423%0.232SC..THydrogen-bonded Turntrans-64-9.9174.8-64.3-35.4000111.7T21 N22 N79T21-D81 VanDerWaalsContact CA-OD2 3.32Å; T21-D81 WeakPolarHBondContact CA-OD2 3.16Å; T21-D81 WeakPolarHBondContact CB-OD2 3.43Å; T21-D81 PolarHBondContact N-OD2 3.37Å; T21-D81 PolarHBondContact OG1-OD2 2.66Å; N22-D81 WeakPolarHBondContact CB-OD1 3.47Å; N22-D81 PolarHBondContact N-OD2 3.29Å; N79-D81 VanDerWaalsContact C-N 3.28Å; N79-D81 PolarHBondContact O-N 2.89Å; N79-D81 WeakPolarHBondContact OD1-CB 3.26Å; N79-D81 PolarHBondContact OD1-N 2.86Å
82V58.4Low60.1Low54 Ų5445.5 Ų45.533%0.32723%0.232SC..THydrogen-bonded Turntrans-133.6-43.9-176.5-162.50000113.4R68 N79 E80R68-V82 VanDerWaalsContact CD-CG1 3.45Å; R68-V82 VanDerWaalsContact NE-CG1 3.29Å; R68-V82 VanDerWaalsContact NH2-CG1 3.26Å; N79-V82 PolarHBondContact O-N 2.81Å; E80-V82 PolarHBondContact O-N 2.99Å
83V58.8Low59.8Low12 Ų1246 Ų467%0.07324%0.24CC..SBendtrans-126.3113.3177.9-179.50000107.7V78 N79 E80 A85 R87 A88V78-V83 HydrophobicContact CG1-CB 4.38Å; V78-V83 VanDerWaalsContact CG1-O 3.28Å; V78-V83 WeakPolarHBondContact CG1-O 3.24Å; N79-V83 PolarHBondContact O-N 3.38Å; E80-V83 WeakPolarHBondContact CA-O 3.31Å; V83-A85 PolarHBondContact O-N 2.9Å; V83-R87 HydrophobicContact CG1-CB 4.16Å; V83-R87 HydrophobicContact CG1-CG 4.47Å; V83-A88 HydrophobicContact CG1-CB 4.29Å
84L62.7Low59.4Low109 Ų10947.4 Ų47.457%0.57125%0.247SC*.  trans-53.3134.4173.8-70.1170.1000109.8S86 R87 A88L84-S86 WeakPolarHBondContact CB-OG 3.4Å; L84-S86 PolarHBondContact O-N 3.24Å; L84-R87 WeakPolarHBondContact O-CA 3.22Å; L84-R87 WeakPolarHBondContact O-CB 3.14Å; L84-R87 PolarHBondContact O-N 3.39Å; L84-A88 PolarHBondContact O-N 2.98Å; L84-A88 VanDerWaalsContact O-N 3.14Å
85A61.9Low58.8Low14 Ų1447.1 Ų47.112%0.11624%0.243CC..Hα-helixtrans-53.2-30.3177.100000112.5S24 V26 E80 V83 N89S24-A85 WeakPolarHBondContact OG-CB 3.4Å; V26-A85 HydrophobicContact CG2-CB 4.2Å; E80-A85 HydrophobicContact CG-CB 4.33Å; E80-A85 VanDerWaalsContact OE1-CB 3.24Å; E80-A85 WeakPolarHBondContact OE1-CB 3.4Å; V83-A85 PolarHBondContact O-N 2.9Å; A85-N89 WeakPolarHBondContact O-CB 3.41Å; A85-N89 PolarHBondContact O-N 3.18Å; A85-N89 PolarHBondContact O-ND2 2.99Å
86S64.1Low58.4Low66 Ų6646.5 Ų46.546%0.46224%0.24SC..Hα-helixtrans-63.5-3917454.80000112.8L84 Q90L84-S86 WeakPolarHBondContact CB-OG 3.4Å; L84-S86 PolarHBondContact O-N 3.24Å; S86-Q90 WeakPolarHBondContact O-CB 3.17Å; S86-Q90 VanDerWaalsContact O-CG 3.22Å; S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 2.97Å
87R64Low57.4Low170 Ų17049.5 Ų49.564%0.64226%0.258SS*.Hα-helixtrans-73.1-40.8177.4-170.8171.8178.1169.4-2.4111.3V83 L84 N89 Q90 H91V83-R87 HydrophobicContact CG1-CB 4.16Å; V83-R87 HydrophobicContact CG1-CG 4.47Å; L84-R87 WeakPolarHBondContact O-CA 3.22Å; L84-R87 WeakPolarHBondContact O-CB 3.14Å; L84-R87 PolarHBondContact O-N 3.39Å; R87-N89 VanDerWaalsContact C-N 3.34Å; R87-Q90 PolarHBondContact O-N 3.17Å; R87-H91 VanDerWaalsContact O-CB 3.32Å; R87-H91 WeakPolarHBondContact O-CB 3.42Å; R87-H91 PolarHBondContact O-N 3.28Å
88A60.6Low56.3Low2 Ų251.6 Ų51.62%0.01727%0.269CS..Hα-helixtrans-63.4-41.6172.400000111.6V78 V83 L84 H91 C92V78-A88 HydrophobicContact CB-CB 4.38Å; V78-A88 HydrophobicContact CG1-CB 3.84Å; V78-A88 HydrophobicContact CG2-CB 3.61Å; V83-A88 HydrophobicContact CG1-CB 4.29Å; L84-A88 PolarHBondContact O-N 2.98Å; L84-A88 VanDerWaalsContact O-N 3.14Å; A88-H91 PolarHBondContact O-N 3.4Å; A88-C92 VanDerWaalsContact O-CB 3.3Å; A88-C92 WeakPolarHBondContact O-CB 3.33Å; A88-C92 PolarHBondContact O-N 3.02Å; A88-C92 PolarHBondContact O-SG 2.87Å
89N62.9Low55Low67 Ų6756.9 Ų56.936%0.35829%0.293SS..Hα-helixtrans-61.9-44171.7-92.5-58.3000112.3V26 A85 R87 A93V26-N89 WeakPolarHBondContact CG1-OD1 3.21Å; A85-N89 WeakPolarHBondContact O-CB 3.41Å; A85-N89 PolarHBondContact O-N 3.18Å; A85-N89 PolarHBondContact O-ND2 2.99Å; R87-N89 VanDerWaalsContact C-N 3.34Å; N89-A93 WeakPolarHBondContact O-CA 3.5Å; N89-A93 WeakPolarHBondContact O-CB 3.34Å; N89-A93 PolarHBondContact O-N 3.44Å
90Q60.5Low53.7Low137 Ų13761.3 Ų61.364%0.6432%0.316SS*.Hα-helixtrans-67.1-39.5178.2-80.1171.9-6.700111.5S86 R87 L94S86-Q90 WeakPolarHBondContact O-CB 3.17Å; S86-Q90 VanDerWaalsContact O-CG 3.22Å; S86-Q90 WeakPolarHBondContact O-CG 3.43Å; S86-Q90 PolarHBondContact O-N 2.97Å; R87-Q90 PolarHBondContact O-N 3.17Å; Q90-L94 WeakPolarHBondContact O-CB 2.97Å; Q90-L94 PolarHBondContact O-N 3.33Å
91H61Low52.5Low39 Ų3963 Ų6318%0.18133%0.333CS..Hα-helixtrans-64.5-56.4174.9-166.8-100.3000109.7V58 R87 A88 A93 L94 W95V58-H91 PolarHBondContact O-CE1 2.86Å; R87-H91 VanDerWaalsContact O-CB 3.32Å; R87-H91 WeakPolarHBondContact O-CB 3.42Å; R87-H91 PolarHBondContact O-N 3.28Å; A88-H91 PolarHBondContact O-N 3.4Å; H91-A93 VanDerWaalsContact C-N 3.29Å; H91-A93 PolarHBondContact O-N 3.46Å; H91-L94 WeakPolarHBondContact O-CA 3.47Å; H91-L94 WeakPolarHBondContact O-CB 3.28Å; H91-L94 PolarHBondContact O-N 2.72Å; H91-W95 AromaticContact CD2-CD1 3.83Å; H91-W95 AromaticContact CD2-NE1 3.4Å; H91-W95 PolarHBondContact CD2-NE1 2.78Å; H91-W95 AromaticContact CE1-CD1 3.38Å; H91-W95 AromaticContact CE1-NE1 3.1Å; H91-W95 PolarHBondContact CE1-NE1 2.79Å; H91-W95 AromaticContact CG-CD1 3.69Å; H91-W95 AromaticContact CG-NE1 3.76Å; H91-W95 AromaticContact ND1-CD1 3.41Å; H91-W95 AromaticContact ND1-NE1 3.59Å; H91-W95 AromaticContact NE2-CD1 3.63Å; H91-W95 AromaticContact NE2-CE2 3.99Å; H91-W95 AromaticContact NE2-NE1 2.95Å; H91-W95 PolarHBondContact NE2-NE1 2.76Å; H91-W95 PolarHBondContact O-N 2.84Å
92C54.5Low51.4Low2 Ų266.6 Ų66.61%0.01434%0.34CS..Hα-helixtrans-62.6-35.7179.3-61.80000112.3L28 I76 A88 I96L28-C92 HydrophobicContact CD2-CB 4.37Å; I76-C92 HydrophobicContact CD1-CB 4.13Å; I76-C92 WeakPolarHBondContact CD1-SG 3.45Å; A88-C92 VanDerWaalsContact O-CB 3.3Å; A88-C92 WeakPolarHBondContact O-CB 3.33Å; A88-C92 PolarHBondContact O-N 3.02Å; A88-C92 PolarHBondContact O-SG 2.87Å; C92-I96 HydrophobicContact CB-CD1 4.26Å; C92-I96 WeakPolarHBondContact O-CA 3.23Å; C92-I96 WeakPolarHBondContact O-CB 3.31Å; C92-I96 WeakPolarHBondContact O-CG1 3.38Å; C92-I96 PolarHBondContact O-N 2.96Å
93A51.9Low50.4Low33 Ų3367.5 Ų67.527%0.27335%0.353SS..Hα-helixtrans-60.7-56.2168.600000108.4N89 H91 W95 I96 V97N89-A93 WeakPolarHBondContact O-CA 3.5Å; N89-A93 WeakPolarHBondContact O-CB 3.34Å; N89-A93 PolarHBondContact O-N 3.44Å; H91-A93 VanDerWaalsContact C-N 3.29Å; H91-A93 PolarHBondContact O-N 3.46Å; A93-W95 PolarHBondContact O-N 3.19Å; A93-I96 CarbonylContact O-C 3.55Å; A93-I96 VanDerWaalsContact O-C 3.3Å; A93-I96 PolarHBondContact O-N 2.87Å; A93-V97 HydrophobicContact CB-CG2 3.77Å; A93-V97 WeakPolarHBondContact O-CA 3.4Å; A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 3.48Å
94L47Very low49.8Very low67 Ų6770.1 Ų70.135%0.35137%0.369SS..Hα-helixtrans-53.1-35.2-178.1-164.866.8000113.5Q90 H91Q90-L94 WeakPolarHBondContact O-CB 2.97Å; Q90-L94 PolarHBondContact O-N 3.33Å; H91-L94 WeakPolarHBondContact O-CA 3.47Å; H91-L94 WeakPolarHBondContact O-CB 3.28Å; H91-L94 PolarHBondContact O-N 2.72Å
95W44.2Very low48.7Very low23 Ų2373 Ų739%0.08739%0.385CS..Hα-helixtrans-90.8-14.2178.2-64.1105000115.5V58 Q61 H91 A93 H116 S117V58-W95 HydrophobicContact CB-CB 4.07Å; V58-W95 HydrophobicContact CB-CG 4.28Å; V58-W95 HydrophobicContact CG1-CB 3.5Å; V58-W95 VanDerWaalsContact CG1-CD1 3.48Å; V58-W95 HydrophobicContact CG1-CD2 4.38Å; V58-W95 HydrophobicContact CG1-CG 3.52Å; V58-W95 HydrophobicContact CG2-CB 3.37Å; V58-W95 HydrophobicContact CG2-CD2 4.39Å; V58-W95 HydrophobicContact CG2-CG 3.91Å; Q61-W95 VanDerWaalsContact NE2-CH2 3.29Å; Q61-W95 VanDerWaalsContact OE1-CZ2 3.29Å; Q61-W95 VanDerWaalsContact OE1-CZ3 3.25Å; H91-W95 AromaticContact CD2-CD1 3.83Å; H91-W95 AromaticContact CD2-NE1 3.4Å; H91-W95 PolarHBondContact CD2-NE1 2.78Å; H91-W95 AromaticContact CE1-CD1 3.38Å; H91-W95 AromaticContact CE1-NE1 3.1Å; H91-W95 PolarHBondContact CE1-NE1 2.79Å; H91-W95 AromaticContact CG-CD1 3.69Å; H91-W95 AromaticContact CG-NE1 3.76Å; H91-W95 AromaticContact ND1-CD1 3.41Å; H91-W95 AromaticContact ND1-NE1 3.59Å; H91-W95 AromaticContact NE2-CD1 3.63Å; H91-W95 AromaticContact NE2-CE2 3.99Å; H91-W95 AromaticContact NE2-NE1 2.95Å; H91-W95 PolarHBondContact NE2-NE1 2.76Å; H91-W95 PolarHBondContact O-N 2.84Å; A93-W95 PolarHBondContact O-N 3.19Å; W95-H116 AromaticContact CH2-CD2 3.33Å; W95-H116 WeakPolarHBondContact CH2-CD2 3.16Å; W95-H116 AromaticContact CH2-CG 3.77Å; W95-H116 AromaticContact CH2-NE2 3.54Å; W95-H116 HydrophobicContact CZ3-CB 4.04Å; W95-H116 AromaticContact CZ3-CD2 3.33Å; W95-H116 WeakPolarHBondContact CZ3-CD2 3.42Å; W95-H116 AromaticContact CZ3-CG 3.71Å; W95-S117 WeakPolarHBondContact CZ2-OG 3.47Å
96I48.1Very low47.9Very low20 Ų2076 Ų7610%0.10342%0.417CS..Hα-helixtrans-124.616.6-179.6-47.1167.9000110.4A31 V54 L55 C92 A93 L98 W114A31-I96 HydrophobicContact CB-CB 4.31Å; A31-I96 HydrophobicContact CB-CG2 3.5Å; A31-I96 VanDerWaalsContact CB-CG2 3.5Å; V54-I96 HydrophobicContact CG1-CG1 4.31Å; L55-I96 HydrophobicContact CD2-CD1 3.49Å; L55-I96 VanDerWaalsContact CD2-CD1 3.49Å; L55-I96 HydrophobicContact CG-CD1 4.35Å; C92-I96 HydrophobicContact CB-CD1 4.26Å; C92-I96 WeakPolarHBondContact O-CA 3.23Å; C92-I96 WeakPolarHBondContact O-CB 3.31Å; C92-I96 WeakPolarHBondContact O-CG1 3.38Å; C92-I96 PolarHBondContact O-N 2.96Å; A93-I96 CarbonylContact O-C 3.55Å; A93-I96 VanDerWaalsContact O-C 3.3Å; A93-I96 PolarHBondContact O-N 2.87Å; I96-L98 PolarHBondContact O-N 3.28Å; I96-W114 HydrophobicContact CG2-CZ3 4.36Å
97V42.6Very low46.4Very low64 Ų6476.3 Ų76.339%0.38842%0.419SS..  trans-74.3102.9-170.6141.70000107.2A93A93-V97 HydrophobicContact CB-CG2 3.77Å; A93-V97 WeakPolarHBondContact O-CA 3.4Å; A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 3.48Å
98L37.5Very low45.5Very low44 Ų4472.6 Ų72.623%0.2342%0.415CS..  70.5110.279.2-67.8174.6000108.4K30 V34 I96 I100K30-L98 HydrophobicContact CB-CD2 4.29Å; V34-L98 HydrophobicContact CG2-CD2 3.71Å; I96-L98 PolarHBondContact O-N 3.28Å; L98-I100 HydrophobicContact CB-CD1 4.2Å; L98-I100 HydrophobicContact CB-CG1 4.1Å; L98-I100 HydrophobicContact CD1-CD1 4.19Å; L98-I100 PolarHBondContact O-N 3.3Å
99Q30.6Very low44.5Very low111 Ų11176 Ų7652%0.51944%0.436SS..SBendtrans-60.168.7163.2-158.7-178.224.800109.3
100I35.4Very low43.3Very low109 Ų10980 Ų8056%0.55945%0.452SS*.  trans-109.4119161.6-56.6172.6000102.8L98 R102L98-I100 HydrophobicContact CB-CD1 4.2Å; L98-I100 HydrophobicContact CB-CG1 4.1Å; L98-I100 HydrophobicContact CD1-CD1 4.19Å; L98-I100 PolarHBondContact O-N 3.3Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.03Å
101P37Very low42.1Very low98 Ų9880.1 Ų80.164%0.63646%0.457SS*.  trans-58100.9176.323-31000107.7V108P101-V108 HydrophobicContact CB-CG1 4.05Å
102R36Very low40.9Very low158 Ų15881.4 Ų81.460%0.59648%0.475SS*.  trans-103.6116.1174-177.1170.2151177.6-10.2105.4I100 V104I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 3.03Å; R102-V104 PolarHBondContact O-N 2.65Å
103A37.7Very low40.1Very low73 Ų7382.5 Ų82.560%0.60348%0.484SS*.EExtended strand (participates in β ladder)trans-62.2107.6170.900000107.9
104V44.9Very low39.9Very low66 Ų6683 Ų8340%0.448%0.479SS..EExtended strand (participates in β ladder)trans-101.6116.3166179.50000105.3R102 G106 S107R102-V104 PolarHBondContact O-N 2.65Å; V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.98Å; V104-S107 PolarHBondContact N-O 3.45Å; V104-S107 PolarHBondContact O-N 2.84Å; V104-S107 VanDerWaalsContact O-N 3.12Å
105N40.9Very low39.5Very low170 Ų17083.1 Ų83.191%0.90948%0.479SS*.THydrogen-bonded Turntrans56.435.6176.7-133.121.9000115.1S107N105-S107 VanDerWaalsContact C-N 3.28Å; N105-S107 PolarHBondContact O-N 3.02Å
106G44.2Very low39.3Very low76 Ų7685.2 Ų85.278%0.78449%0.49SS*.THydrogen-bonded Turntrans80.8-1.3179.100000115.4V104V104-G106 VanDerWaalsContact C-N 3.28Å; V104-G106 PolarHBondContact O-N 2.98Å
107S33.6Very low39.1Very low74 Ų7486.5 Ų86.552%0.51750%0.5SS..EExtended strand (participates in β ladder)trans-104132.2176.6-65.80000111V104 N105 V109V104-S107 PolarHBondContact N-O 3.45Å; V104-S107 PolarHBondContact O-N 2.84Å; V104-S107 VanDerWaalsContact O-N 3.12Å; N105-S107 VanDerWaalsContact C-N 3.28Å; N105-S107 PolarHBondContact O-N 3.02Å; S107-V109 PolarHBondContact O-N 2.88Å
108V44.3Very low39.4Very low92 Ų9289.8 Ų89.856%0.55852%0.516SS*.EExtended strand (participates in β ladder)trans-78.9111.6167.5-178.20000106.9P101 E110P101-V108 HydrophobicContact CB-CG1 4.05Å; V108-E110 HydrophobicContact CG1-CG 3.86Å
109V39.6Very low39.9Very low74 Ų7492.9 Ų92.945%0.44853%0.533SS..  trans-93.5110.5173.4-1780000107.3S107S107-V109 PolarHBondContact O-N 2.88Å
110E38.5Very low40.3Very low151 Ų15191.2 Ų91.271%0.70654%0.538SS*.  trans-90.1-9.7-175.4-65-169.3142.400113.7V108V108-E110 HydrophobicContact CG1-CG 3.86Å
111D35.1Very low40.6Very low138 Ų13890 Ų9074%0.73854%0.538SS*.SBendtrans-105.8127.7-171.5-72.6-35.1000113.1A113D111-A113 PolarHBondContact O-N 3.5Å
112A35.3Very low40.8Very low67 Ų6790.1 Ų90.155%0.55453%0.53SS*.  trans-6692-179.800000111.3T38T38-A112 HydrophobicContact CG2-CB 3.91Å
113A37.4Very low41.2Very low24 Ų2485.5 Ų85.520%0.19852%0.517CS..  trans-117.5132166.100000109.1D111 L115 H122D111-A113 PolarHBondContact O-N 3.5Å; A113-L115 PolarHBondContact O-N 3.33Å; A113-H122 HydrophobicContact CB-CB 4.06Å; A113-H122 WeakPolarHBondContact CB-ND1 3.32Å
114W48.2Very low41.6Very low44 Ų4485.7 Ų85.717%0.16751%0.508CS..  trans-53.2111.4175.8-5693.4000109.1Y35 V54 I96 I123Y35-W114 HydrophobicContact CD2-CH2 4.18Å; Y35-W114 HydrophobicContact CD2-CZ2 4.27Å; Y35-W114 HydrophobicContact CE2-CH2 4.43Å; Y35-W114 HydrophobicContact CE2-CZ2 4.25Å; V54-W114 HydrophobicContact CB-CH2 4.25Å; V54-W114 HydrophobicContact CB-CZ3 4.3Å; V54-W114 HydrophobicContact CG1-CE3 4.19Å; V54-W114 HydrophobicContact CG1-CH2 3.76Å; V54-W114 HydrophobicContact CG1-CZ3 3.37Å; V54-W114 HydrophobicContact CG2-CH2 3.65Å; V54-W114 HydrophobicContact CG2-CZ2 4.1Å; V54-W114 HydrophobicContact CG2-CZ3 4.01Å; I96-W114 HydrophobicContact CG2-CZ3 4.36Å; W114-I123 HydrophobicContact CB-CB 3.94Å; W114-I123 HydrophobicContact CB-CD1 4.29Å; W114-I123 HydrophobicContact CB-CG1 4.23Å; W114-I123 HydrophobicContact CG-CB 4.38Å; W114-I123 PolarHBondContact O-N 3.39Å
115L39.1Very low41.7Very low70 Ų7087.4 Ų87.437%0.36652%0.518SS..BIsolated β-bridgetrans-99.2120.4-179.6-101.9137.5000109.3A113A113-L115 PolarHBondContact O-N 3.33Å
116H40.1Very low42.3Very low67 Ų6782.3 Ų82.331%0.3150%0.499SS..  trans-65.3138.6162.7-175.9-84.9000108.5W95 D118 D119W95-H116 AromaticContact CH2-CD2 3.33Å; W95-H116 WeakPolarHBondContact CH2-CD2 3.16Å; W95-H116 AromaticContact CH2-CG 3.77Å; W95-H116 AromaticContact CH2-NE2 3.54Å; W95-H116 HydrophobicContact CZ3-CB 4.04Å; W95-H116 AromaticContact CZ3-CD2 3.33Å; W95-H116 WeakPolarHBondContact CZ3-CD2 3.42Å; W95-H116 AromaticContact CZ3-CG 3.71Å; H116-D118 PolarHBondContact ND1-N 2.91Å; H116-D118 VanDerWaalsContact ND1-N 3.19Å; H116-D118 PolarHBondContact O-N 3.41Å; H116-D119 WeakPolarHBondContact CB-O 3.36Å; H116-D119 PolarHBondContact ND1-N 3.17Å; H116-D119 VanDerWaalsContact O-O 3.12Å
117S42.1Very low42.6Very low46 Ų4682.9 Ų82.932%0.32248%0.482SS..SBendtrans-64.4-25-174.152.40000114.1W95W95-S117 WeakPolarHBondContact CZ2-OG 3.47Å
118D49.2Very low43.3Very low134 Ų13480 Ų8072%0.71746%0.461SS*.SBendtrans-115.8-1.6-173.9-77.8-45.4000115H116H116-D118 PolarHBondContact ND1-N 2.91Å; H116-D118 VanDerWaalsContact ND1-N 3.19Å; H116-D118 PolarHBondContact O-N 3.41Å
119D48.8Very low43.6Very low108 Ų10878.9 Ų78.958%0.57845%0.451SS*.SBendtrans-149131.8175.2-93.6-42.9000108.4H116 C121H116-D119 WeakPolarHBondContact CB-O 3.36Å; H116-D119 PolarHBondContact ND1-N 3.17Å; H116-D119 VanDerWaalsContact O-O 3.12Å; D119-C121 HydrophobicContact CB-CB 4.42Å; D119-C121 PolarHBondContact O-N 3.41Å
120A39.5Very low44.2Very low77 Ų7778.2 Ų78.264%0.63645%0.454SS*.  trans-67.730.617600000113.3
121C41.7Very low44.7Very low82 Ų8273.7 Ų73.755%0.55444%0.436SS*.  trans-84.2113.7176.5-76.90000109.3D119D119-C121 HydrophobicContact CB-CB 4.42Å; D119-C121 PolarHBondContact O-N 3.41Å
122H41.3Very low45.1Very low102 Ų10270.6 Ų70.647%0.47242%0.419SS..BIsolated β-bridgetrans-67.6127.3170.3-63.9-172.9000109.3A113 N124A113-H122 HydrophobicContact CB-CB 4.06Å; A113-H122 WeakPolarHBondContact CB-ND1 3.32Å; H122-N124 PolarHBondContact O-N 2.9Å
123I44.3Very low45.9Very low61 Ų6174.2 Ų74.231%0.31342%0.422SS..  trans-67.3105.4165.7-62.5177.7000107.7W114 E127 L128W114-I123 HydrophobicContact CB-CB 3.94Å; W114-I123 HydrophobicContact CB-CD1 4.29Å; W114-I123 HydrophobicContact CB-CG1 4.23Å; W114-I123 HydrophobicContact CG-CB 4.38Å; W114-I123 PolarHBondContact O-N 3.39Å; I123-E127 WeakPolarHBondContact CA-OE2 3.27Å; I123-E127 HydrophobicContact CG2-CB 3.65Å; I123-L128 HydrophobicContact CG2-CB 4.4Å
124N45.6Very low46Very low77 Ų7774.4 Ų74.441%0.41243%0.427SS..  trans-71.2166.3177.474.540.2000110.7H122 A126 E127 L128H122-N124 PolarHBondContact O-N 2.9Å; N124-A126 PolarHBondContact O-N 2.81Å; N124-A126 VanDerWaalsContact OD1-CA 3.24Å; N124-A126 WeakPolarHBondContact OD1-CA 3.45Å; N124-A126 WeakPolarHBondContact OD1-CB 3.44Å; N124-A126 PolarHBondContact OD1-N 2.99Å; N124-E127 PolarHBondContact O-N 2.95Å; N124-E127 VanDerWaalsContact O-N 3.16Å; N124-E127 PolarHBondContact OD1-N 3.39Å; N124-L128 PolarHBondContact O-N 3.47Å
125T47.1Very low45.5Very low101 Ų10178.4 Ų78.462%0.6246%0.458SS*.Hα-helixtrans-60.2-27.2178.438.40000113.7D129T125-D129 VanDerWaalsContact O-CB 3.26Å; T125-D129 WeakPolarHBondContact O-CB 3.15Å; T125-D129 PolarHBondContact O-N 3.1Å
126A53.4Low45.4Very low63 Ų6382.4 Ų82.452%0.52148%0.48SS..Hα-helixtrans-74.9-35.3176.200000112.2N124 D129 A130N124-A126 PolarHBondContact O-N 2.81Å; N124-A126 VanDerWaalsContact OD1-CA 3.24Å; N124-A126 WeakPolarHBondContact OD1-CA 3.45Å; N124-A126 WeakPolarHBondContact OD1-CB 3.44Å; N124-A126 PolarHBondContact OD1-N 2.99Å; A126-D129 PolarHBondContact O-N 3.03Å; A126-A130 VanDerWaalsContact O-CB 3.24Å; A126-A130 WeakPolarHBondContact O-CB 3.17Å; A126-A130 PolarHBondContact O-N 3.04Å
127E49.2Very low45.2Very low89 Ų8987.2 Ų87.242%0.41651%0.507SS..Hα-helixtrans-67.8-41.9171.2-72.4178.1-156.400110.2I123 N124 D129 A130 V131I123-E127 WeakPolarHBondContact CA-OE2 3.27Å; I123-E127 HydrophobicContact CG2-CB 3.65Å; N124-E127 PolarHBondContact O-N 2.95Å; N124-E127 VanDerWaalsContact O-N 3.16Å; N124-E127 PolarHBondContact OD1-N 3.39Å; E127-D129 PolarHBondContact O-N 2.85Å; E127-A130 PolarHBondContact O-N 3.04Å; E127-V131 WeakPolarHBondContact O-CB 3.11Å; E127-V131 WeakPolarHBondContact O-CG2 3.42Å; E127-V131 PolarHBondContact O-N 2.95Å
128L49.5Very low44.6Very low13 Ų1389.3 Ų89.37%0.06853%0.527CS..Hα-helixtrans-61.1-43.7171.7-175.565.2000111.6I50 V54 I123 N124 A130 V131 I132I50-L128 HydrophobicContact CG2-CD1 4.32Å; I50-L128 HydrophobicContact CG2-CD2 4.37Å; V54-L128 HydrophobicContact CG2-CD1 4.32Å; I123-L128 HydrophobicContact CG2-CB 4.4Å; N124-L128 PolarHBondContact O-N 3.47Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-V131 PolarHBondContact O-N 3.1Å; L128-I132 HydrophobicContact CD1-CD1 4.31Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 WeakPolarHBondContact O-CB 3.46Å; L128-I132 WeakPolarHBondContact O-CD1 3.21Å; L128-I132 WeakPolarHBondContact O-CG1 3.48Å; L128-I132 PolarHBondContact O-N 3.2Å
129D49.5Very low43.6Very low68 Ų6892.8 Ų92.836%0.36454%0.536SS..Hα-helixtrans-65.6-36176.3-171.959.8000111.8T125 A126 E127 I132 K133T125-D129 VanDerWaalsContact O-CB 3.26Å; T125-D129 WeakPolarHBondContact O-CB 3.15Å; T125-D129 PolarHBondContact O-N 3.1Å; A126-D129 PolarHBondContact O-N 3.03Å; E127-D129 PolarHBondContact O-N 2.85Å; D129-I132 PolarHBondContact O-N 3.2Å; D129-K133 WeakPolarHBondContact O-CB 3.33Å; D129-K133 WeakPolarHBondContact O-CG 2.98Å; D129-K133 PolarHBondContact O-N 3Å; D129-K133 WeakPolarHBondContact OD1-CE 3.39Å; D129-K133 IonicContact OD1-NZ 3.43Å; D129-K133 PolarHBondContact OD1-NZ 3.22Å; D129-K133 WeakPolarHBondContact OD2-CD 3.18Å; D129-K133 VanDerWaalsContact OD2-CE 3.22Å; D129-K133 WeakPolarHBondContact OD2-CE 3.04Å; D129-K133 IonicContact OD2-NZ 2.79Å; D129-K133 PolarHBondContact OD2-NZ 3.13Å
130A53.6Low42.7Very low61 Ų6196.5 Ų96.550%0.50457%0.571SS.*Hα-helixtrans-67.4-40.517400000112A126 E127 L128 K133 G134A126-A130 VanDerWaalsContact O-CB 3.24Å; A126-A130 WeakPolarHBondContact O-CB 3.17Å; A126-A130 PolarHBondContact O-N 3.04Å; E127-A130 PolarHBondContact O-N 3.04Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-K133 CarbonylContact O-C 3.36Å; A130-K133 PolarHBondContact O-N 3.09Å; A130-G134 PolarHBondContact O-N 3.44Å
131V48.5Very low42.9Very low55 Ų5597.5 Ų97.533%0.33357%0.567SS.*Hα-helixtrans-68.4-35.3174.6175.10000110.9I53 C57 E127 L128 G134I53-V131 HydrophobicContact CG2-CG1 3.57Å; C57-V131 HydrophobicContact CB-CG1 4.35Å; E127-V131 WeakPolarHBondContact O-CB 3.11Å; E127-V131 WeakPolarHBondContact O-CG2 3.42Å; E127-V131 PolarHBondContact O-N 2.95Å; L128-V131 PolarHBondContact O-N 3.1Å; V131-G134 VanDerWaalsContact O-O 3.06Å
132I44Very low42.9Very low73 Ų7398.3 Ų98.337%0.37457%0.568SS.*Hα-helixtrans-70.7-35.8173.1-67.6165.2000111.2I50 I53 L128 D129I50-I132 HydrophobicContact CG1-CD1 4.25Å; I53-I132 HydrophobicContact CD1-CB 4.3Å; I53-I132 HydrophobicContact CD1-CG1 3.77Å; I53-I132 HydrophobicContact CD1-CG2 4.25Å; I53-I132 HydrophobicContact CG2-CG1 4.29Å; L128-I132 HydrophobicContact CD1-CD1 4.31Å; L128-I132 HydrophobicContact CG-CD1 3.89Å; L128-I132 WeakPolarHBondContact O-CB 3.46Å; L128-I132 WeakPolarHBondContact O-CD1 3.21Å; L128-I132 WeakPolarHBondContact O-CG1 3.48Å; L128-I132 PolarHBondContact O-N 3.2Å; D129-I132 PolarHBondContact O-N 3.2Å
133K50.5Low43Very low144 Ų14498.1 Ų98.163%0.62657%0.573SS**Hα-helixtrans-88.6-9.6-178-71.4174.9178167.70114.6D129 A130D129-K133 WeakPolarHBondContact O-CB 3.33Å; D129-K133 WeakPolarHBondContact O-CG 2.98Å; D129-K133 PolarHBondContact O-N 3Å; D129-K133 WeakPolarHBondContact OD1-CE 3.39Å; D129-K133 IonicContact OD1-NZ 3.43Å; D129-K133 PolarHBondContact OD1-NZ 3.22Å; D129-K133 WeakPolarHBondContact OD2-CD 3.18Å; D129-K133 VanDerWaalsContact OD2-CE 3.22Å; D129-K133 WeakPolarHBondContact OD2-CE 3.04Å; D129-K133 IonicContact OD2-NZ 2.79Å; D129-K133 PolarHBondContact OD2-NZ 3.13Å; A130-K133 CarbonylContact O-C 3.36Å; A130-K133 PolarHBondContact O-N 3.09Å
134G40.9Very low43Very low28 Ų28100.3 Ų100.329%0.28959%0.589SS.*  trans-136.4128.6-177.900000113A130 V131A130-G134 PolarHBondContact O-N 3.44Å; V131-G134 VanDerWaalsContact O-O 3.06Å
135P37.2Very low42.8Very low127 Ų127101.8 Ų101.883%0.82560%0.6SS**SBend-109.97.180.3-9.127.6000115.7L137P135-L137 VanDerWaalsContact C-N 3.27Å; P135-L137 PolarHBondContact O-N 3.17Å; P135-L137 VanDerWaalsContact O-N 3.11Å
136N37.1Very low42.5Very low155 Ų155101.8 Ų101.883%0.82960%0.598SS**THydrogen-bonded Turntrans-80.619.2-169.6-91.2-16.5000116.6
137L36.4Very low41.7Very low167 Ų167104.6 Ų104.687%0.87460%0.604SS**THydrogen-bonded Turntrans-127.711.1175.5-74.9171.6000115.2P135P135-L137 VanDerWaalsContact C-N 3.27Å; P135-L137 PolarHBondContact O-N 3.17Å; P135-L137 VanDerWaalsContact O-N 3.11Å
138A29.9Very low41.1Very low90 Ų90105.8 Ų105.874%0.74462%0.618SS**  trans-105.953.5173.200000112.3
139K27.8Very low40.4Very low207 Ų207113.5 Ų113.590%0.966%0.664SS**  trans-154.672.3162-75.6-159.4179.3179.50111.1
140S29.9Very low39.6Very low187 Ų187117.6 Ų117.6100%1.30869%0.691SS**  trans172.80139.3-173.60000110.2

Retrieved 140 of 140 residues in 847.4 ms (Link to these results)

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