A0A077Z5J2_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z5J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M71.7Confident86.2Confident69 Ų6967.1 Ų67.134%0.3435%0.354SS..  0136.40-179176-81.900108S5 P7 F8 V240 I280 K283 V284M1-S5 VanDerWaalsContact CG-OG 3.28Å; M1-S5 WeakPolarHBondContact CG-OG 3.41Å; M1-P7 HydrophobicContact CE-CB 4.03Å; M1-P7 HydrophobicContact CE-CG 4.28Å; M1-P7 HydrophobicContact SD-CB 3.93Å; M1-P7 HydrophobicContact SD-CG 4.47Å; M1-F8 HydrophobicContact SD-CB 4.26Å; M1-V240 HydrophobicContact CE-CG1 3.82Å; M1-I280 HydrophobicContact CE-CG2 4.46Å; M1-I280 HydrophobicContact SD-CG2 3.85Å; M1-K283 HydrophobicContact CB-CB 4.29Å; M1-K283 VanDerWaalsContact CB-O 3.3Å; M1-K283 WeakPolarHBondContact CB-O 3.44Å; M1-K283 HydrophobicContact CE-CB 3.79Å; M1-K283 HydrophobicContact CE-CG 4.32Å; M1-K283 PolarHBondContact N-O 3.13Å; M1-V284 HydrophobicContact CB-CG2 4.36Å
2D76.7Confident86.6Confident94 Ų9465.4 Ų65.450%0.50335%0.348SS..  trans-65.6127.9179-177.3-10000110.3K4 S5D2-K4 PolarHBondContact O-N 3.44Å; D2-K4 WeakPolarHBondContact OD1-CB 3.38Å; D2-K4 PolarHBondContact OD1-N 3Å; D2-S5 WeakPolarHBondContact O-CB 3.37Å; D2-S5 PolarHBondContact O-N 3.4Å; D2-S5 PolarHBondContact O-OG 3.46Å
3P73.8Confident87Confident92 Ų9264.8 Ų64.860%0.59736%0.358SS*.THydrogen-bonded Turntrans-55.8-18.8173.3-25.834.7000114.8F8P3-F8 HydrophobicContact CB-CD1 4.19Å; P3-F8 HydrophobicContact CB-CE1 4.15Å; P3-F8 VanDerWaalsContact O-CD1 3.32Å; P3-F8 WeakPolarHBondContact O-CD1 3.32Å
4K77.3Confident87.3Confident184 Ų18462.8 Ų62.880%0.835%0.346SS*.THydrogen-bonded Turntrans-88-3.9175.2-60.8-180-179.4177.60113.9D2D2-K4 PolarHBondContact O-N 3.44Å; D2-K4 WeakPolarHBondContact OD1-CB 3.38Å; D2-K4 PolarHBondContact OD1-N 3Å
5S89.6Confident87.6Confident25 Ų2564.5 Ų64.518%0.17537%0.365CS..SBendtrans-70.9147.8-179.468.80000111.9M1 D2 P7 F8 A9M1-S5 VanDerWaalsContact CG-OG 3.28Å; M1-S5 WeakPolarHBondContact CG-OG 3.41Å; D2-S5 WeakPolarHBondContact O-CB 3.37Å; D2-S5 PolarHBondContact O-N 3.4Å; D2-S5 PolarHBondContact O-OG 3.46Å; S5-P7 VanDerWaalsContact C-CD 3.48Å; S5-F8 PolarHBondContact O-N 2.9Å; S5-F8 VanDerWaalsContact O-N 3.17Å; S5-F8 WeakPolarHBondContact OG-CB 3.38Å; S5-A9 PolarHBondContact O-N 3.38Å
6L93.4Very high87.9Confident105 Ų10570.1 Ų70.155%0.5539%0.387SS..Hα-helixtrans-59.8-38.3178.9-60.3174.7000113.9F8 A9 W10 G243 A245L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.42Å; L6-A9 PolarHBondContact O-N 2.92Å; L6-W10 WeakPolarHBondContact O-CB 3.21Å; L6-W10 PolarHBondContact O-N 2.95Å; L6-G243 WeakPolarHBondContact CB-O 3.47Å; L6-A245 HydrophobicContact CB-CB 4.25Å
7P93.7Very high88Confident1 Ų168.3 Ų68.31%0.00638%0.383CS..Hα-helixtrans-60.8-41.4173.7-19.528.3000112.6M1 S5 W10 L11 V240 E244 I280M1-P7 HydrophobicContact CE-CB 4.03Å; M1-P7 HydrophobicContact CE-CG 4.28Å; M1-P7 HydrophobicContact SD-CB 3.93Å; M1-P7 HydrophobicContact SD-CG 4.47Å; S5-P7 VanDerWaalsContact C-CD 3.48Å; P7-W10 WeakPolarHBondContact O-CB 3.27Å; P7-W10 PolarHBondContact O-N 3.39Å; P7-L11 PolarHBondContact O-N 3.06Å; P7-V240 HydrophobicContact CB-CG1 4Å; P7-V240 HydrophobicContact CB-CG2 4.35Å; P7-V240 HydrophobicContact CG-CG1 4.11Å; P7-E244 WeakPolarHBondContact CG-O 3.45Å; P7-I280 HydrophobicContact CB-CD1 3.96Å; P7-I280 HydrophobicContact CB-CG1 4.07Å
8F91.1Very high88.4Confident52 Ų5268.9 Ų68.923%0.22839%0.385CS..Hα-helixtrans-69.4-41.2178.5-167.6-97.4000111.5M1 P3 S5 L6 W10 L11 V12 V284M1-F8 HydrophobicContact SD-CB 4.26Å; P3-F8 HydrophobicContact CB-CD1 4.19Å; P3-F8 HydrophobicContact CB-CE1 4.15Å; P3-F8 VanDerWaalsContact O-CD1 3.32Å; P3-F8 WeakPolarHBondContact O-CD1 3.32Å; S5-F8 PolarHBondContact O-N 2.9Å; S5-F8 VanDerWaalsContact O-N 3.17Å; S5-F8 WeakPolarHBondContact OG-CB 3.38Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.42Å; F8-W10 VanDerWaalsContact C-N 3.31Å; F8-W10 PolarHBondContact O-N 3.17Å; F8-L11 WeakPolarHBondContact O-CB 3.24Å; F8-L11 PolarHBondContact O-N 2.86Å; F8-V12 HydrophobicContact CD1-CG2 3.9Å; F8-V12 HydrophobicContact CE1-CG2 3.62Å; F8-V12 HydrophobicContact CZ-CG2 4.2Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 2.71Å; F8-V284 HydrophobicContact CD2-CG2 3.72Å; F8-V284 HydrophobicContact CE2-CG1 4.42Å; F8-V284 HydrophobicContact CE2-CG2 3.76Å
9A93Very high88.4Confident50 Ų5073.2 Ų73.241%0.41340%0.399SS..Hα-helixtrans-60.1-40.7173.700000112.2S5 L6 V12 A13S5-A9 PolarHBondContact O-N 3.38Å; L6-A9 PolarHBondContact O-N 2.92Å; A9-V12 PolarHBondContact O-N 3.41Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.69Å
10W94.6Very high88.5Confident44 Ų4476 Ų7617%0.16741%0.41CS..Hα-helixtrans-60.2-44173.4175.194.4000112.1L6 P7 F8 A13 L14 A245 P246 Y273 A276 V277 I280L6-W10 WeakPolarHBondContact O-CB 3.21Å; L6-W10 PolarHBondContact O-N 2.95Å; P7-W10 WeakPolarHBondContact O-CB 3.27Å; P7-W10 PolarHBondContact O-N 3.39Å; F8-W10 VanDerWaalsContact C-N 3.31Å; F8-W10 PolarHBondContact O-N 3.17Å; W10-A13 PolarHBondContact O-N 3.46Å; W10-L14 HydrophobicContact CH2-CD2 3.8Å; W10-L14 HydrophobicContact CZ2-CD2 4.12Å; W10-L14 HydrophobicContact CZ3-CD2 4.22Å; W10-L14 WeakPolarHBondContact O-CB 3.44Å; W10-L14 PolarHBondContact O-N 3.36Å; W10-A245 HydrophobicContact CB-CB 3.9Å; W10-A245 HydrophobicContact CG-CB 4.31Å; W10-P246 HydrophobicContact CD2-CG 3.55Å; W10-P246 HydrophobicContact CE3-CG 3.64Å; W10-P246 HydrophobicContact CG-CG 4.1Å; W10-P246 HydrophobicContact CH2-CG 4.02Å; W10-P246 HydrophobicContact CZ2-CG 3.92Å; W10-P246 HydrophobicContact CZ3-CG 3.88Å; W10-P246 PolarHBondContact NE1-O 2.91Å; W10-Y273 HydrophobicContact CH2-CD1 4.3Å; W10-Y273 AromaticContact CZ2-CD1 3.88Å; W10-Y273 HydrophobicContact CZ2-CD1 3.88Å; W10-Y273 HydrophobicContact CZ2-CE1 4.05Å; W10-A276 HydrophobicContact CH2-CB 4.05Å; W10-A276 HydrophobicContact CZ3-CB 4.37Å; W10-V277 HydrophobicContact CH2-CG2 3.95Å; W10-V277 HydrophobicContact CZ3-CG2 3.82Å; W10-I280 HydrophobicContact CE3-CD1 3.63Å; W10-I280 HydrophobicContact CZ3-CD1 3.78Å
11L92.8Very high88.5Confident22 Ų2278.7 Ų78.712%0.11542%0.42CS..Hα-helixtrans-62.8-45.4177.1175.864.4000111.6P7 F8 L14 S15 V277 I280 L281P7-L11 PolarHBondContact O-N 3.06Å; F8-L11 WeakPolarHBondContact O-CB 3.24Å; F8-L11 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.23Å; L11-V277 HydrophobicContact CD1-CB 4.29Å; L11-V277 HydrophobicContact CD1-CG1 3.81Å; L11-V277 HydrophobicContact CD1-CG2 3.96Å; L11-I280 HydrophobicContact CB-CG2 4.23Å; L11-I280 HydrophobicContact CD2-CG2 3.8Å; L11-L281 HydrophobicContact CD2-CD2 3.67Å; L11-L281 HydrophobicContact CD2-CG 3.96Å
12V91.4Very high89.2Confident47 Ų4776.3 Ų76.329%0.28541%0.409SS..Hα-helixtrans-60.9-47.7177.2172.50000110.4F8 A9 L14 S15 Q16F8-V12 HydrophobicContact CD1-CG2 3.9Å; F8-V12 HydrophobicContact CE1-CG2 3.62Å; F8-V12 HydrophobicContact CZ-CG2 4.2Å; F8-V12 WeakPolarHBondContact O-CG2 3.27Å; F8-V12 PolarHBondContact O-N 2.71Å; A9-V12 PolarHBondContact O-N 3.41Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 2.83Å; V12-S15 PolarHBondContact O-N 2.88Å; V12-S15 VanDerWaalsContact O-N 3.11Å; V12-S15 PolarHBondContact O-OG 3.32Å; V12-Q16 HydrophobicContact CG1-CG 4.36Å; V12-Q16 WeakPolarHBondContact O-CG 3.35Å; V12-Q16 PolarHBondContact O-N 2.93Å
13A92.3Very high89.6Confident58 Ų5876.5 Ų76.548%0.47941%0.41SS..Hα-helixtrans-59.7-42.4177.700000112.2A9 W10 S15 Q16 A17A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.69Å; W10-A13 PolarHBondContact O-N 3.46Å; A13-S15 VanDerWaalsContact C-N 3.32Å; A13-S15 PolarHBondContact O-N 2.82Å; A13-Q16 PolarHBondContact O-N 3.23Å; A13-A17 WeakPolarHBondContact O-CB 3.32Å; A13-A17 PolarHBondContact O-N 3.35Å; A13-A17 VanDerWaalsContact O-N 3.13Å
14L91.5Very high90.2Very high36 Ų3674.3 Ų74.319%0.18840%0.399CS..Hα-helixtrans-63.9-38.1175.8-173.664.7000111.9W10 L11 V12 V22 Y273 V277W10-L14 HydrophobicContact CH2-CD2 3.8Å; W10-L14 HydrophobicContact CZ2-CD2 4.12Å; W10-L14 HydrophobicContact CZ3-CD2 4.22Å; W10-L14 WeakPolarHBondContact O-CB 3.44Å; W10-L14 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 2.89Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 2.83Å; L14-V22 HydrophobicContact CD1-CG1 3.91Å; L14-V22 HydrophobicContact CD1-CG2 4.4Å; L14-Y273 HydrophobicContact CD2-CD1 4.46Å; L14-V277 HydrophobicContact CD2-CG2 3.72Å
15S90.6Very high90.7Very high89 Ų8970.8 Ų70.862%0.62238%0.381SS*.Hα-helixtrans-71.8-29.2179.976.50000114.3L11 V12 A13L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.23Å; V12-S15 PolarHBondContact O-N 2.88Å; V12-S15 VanDerWaalsContact O-N 3.11Å; V12-S15 PolarHBondContact O-OG 3.32Å; A13-S15 VanDerWaalsContact C-N 3.32Å; A13-S15 PolarHBondContact O-N 2.82Å
16Q92.5Very high90.6Very high154 Ų15470.6 Ų70.672%0.7238%0.377SS*.Hα-helixtrans-92.4-12.1-179.1-68.6177.7-10.700113V12 A13V12-Q16 HydrophobicContact CG1-CG 4.36Å; V12-Q16 WeakPolarHBondContact O-CG 3.35Å; V12-Q16 PolarHBondContact O-N 2.93Å; A13-Q16 PolarHBondContact O-N 3.23Å
17A90.9Very high90.1Very high39 Ų3972.2 Ų72.232%0.32238%0.38SS..SBendtrans-70.9151.4-179.400000112.4A13 K19 V22A13-A17 WeakPolarHBondContact O-CB 3.32Å; A13-A17 PolarHBondContact O-N 3.35Å; A13-A17 VanDerWaalsContact O-N 3.13Å; A17-K19 PolarHBondContact O-N 2.96Å; A17-V22 HydrophobicContact CB-CG2 3.39Å
18N93.6Very high89.8Confident80 Ų8075.7 Ų75.743%0.42840%0.398SS..  trans-63.8128.8176.8-179.4-60.6000110.6E20 E21 V22N18-E20 VanDerWaalsContact C-N 3.28Å; N18-E20 PolarHBondContact O-N 3.11Å; N18-E20 WeakPolarHBondContact OD1-CB 3.5Å; N18-E20 PolarHBondContact OD1-N 3.33Å; N18-E21 HydrophobicContact CB-CB 4.11Å; N18-E21 HydrophobicContact CB-CG 3.92Å; N18-E21 PolarHBondContact O-N 2.94Å; N18-E21 PolarHBondContact OD1-N 3.37Å; N18-V22 WeakPolarHBondContact O-CG2 3.46Å; N18-V22 PolarHBondContact O-N 2.92Å
19K88.8Confident89.9Confident149 Ų14974.4 Ų74.465%0.64839%0.393SS*.Hα-helixtrans-55.6-39.7-176.976.4-175.7-177.9-178.80113.3A17 L23A17-K19 PolarHBondContact O-N 2.96Å; K19-L23 WeakPolarHBondContact O-CB 3.43Å; K19-L23 WeakPolarHBondContact O-CG 3.38Å; K19-L23 PolarHBondContact O-N 2.79Å
20E90.4Very high89.7Confident130 Ų13073.2 Ų73.261%0.60738%0.38SS*.Hα-helixtrans-73.5-40.5-175.6-66.5175.2-170.300110.1N18 A24N18-E20 VanDerWaalsContact C-N 3.28Å; N18-E20 PolarHBondContact O-N 3.11Å; N18-E20 WeakPolarHBondContact OD1-CB 3.5Å; N18-E20 PolarHBondContact OD1-N 3.33Å; E20-A24 VanDerWaalsContact O-CB 3.24Å; E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 3.4Å
21E88.7Confident89.3Confident132 Ų13281 Ų8162%0.61741%0.409SS*.Hα-helixtrans-63.9-46.7174.2-65.217917000111.7N18 L23 A24 R25N18-E21 HydrophobicContact CB-CB 4.11Å; N18-E21 HydrophobicContact CB-CG 3.92Å; N18-E21 PolarHBondContact O-N 2.94Å; N18-E21 PolarHBondContact OD1-N 3.37Å; E21-L23 PolarHBondContact O-N 3.04Å; E21-A24 PolarHBondContact O-N 3.17Å; E21-R25 VanDerWaalsContact O-CB 3.27Å; E21-R25 WeakPolarHBondContact O-CB 3.28Å; E21-R25 PolarHBondContact O-N 3.2Å
22V86.9Confident89.3Confident20 Ų2087.2 Ų87.212%0.12144%0.437CS..Hα-helixtrans-60.4-46.8178.1172.60000110.8L14 A17 N18 R25 I26L14-V22 HydrophobicContact CD1-CG1 3.91Å; L14-V22 HydrophobicContact CD1-CG2 4.4Å; A17-V22 HydrophobicContact CB-CG2 3.39Å; N18-V22 WeakPolarHBondContact O-CG2 3.46Å; N18-V22 PolarHBondContact O-N 2.92Å; V22-R25 PolarHBondContact O-N 2.9Å; V22-I26 HydrophobicContact CG1-CD1 3.72Å; V22-I26 HydrophobicContact CG1-CG1 4.41Å; V22-I26 WeakPolarHBondContact O-CB 3.33Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.35Å; V22-I26 PolarHBondContact O-N 3.41Å
23L84.6Confident89.3Confident98 Ų9885.7 Ų85.751%0.51343%0.428SS..Hα-helixtrans-65.4-41.2178.8-72.2173.2000112K19 E21 K27K19-L23 WeakPolarHBondContact O-CB 3.43Å; K19-L23 WeakPolarHBondContact O-CG 3.38Å; K19-L23 PolarHBondContact O-N 2.79Å; E21-L23 PolarHBondContact O-N 3.04Å; L23-K27 VanDerWaalsContact O-CB 3.3Å; L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 WeakPolarHBondContact O-CD 3.46Å; L23-K27 WeakPolarHBondContact O-CG 3.48Å; L23-K27 PolarHBondContact O-N 3.01Å
24A87Confident89.3Confident45 Ų4586.4 Ų86.437%0.37243%0.427SS..Hα-helixtrans-63.5-43.2175.800000111.3E20 E21 K27 N28E20-A24 VanDerWaalsContact O-CB 3.24Å; E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 3.4Å; E21-A24 PolarHBondContact O-N 3.17Å; A24-K27 PolarHBondContact O-N 2.74Å; A24-N28 WeakPolarHBondContact O-CB 3.32Å; A24-N28 VanDerWaalsContact O-CG 3.26Å; A24-N28 PolarHBondContact O-N 3.16Å; A24-N28 PolarHBondContact O-ND2 3.02Å
25R88.1Confident89.1Confident111 Ų11185.2 Ų85.242%0.41942%0.424SS..Hα-helixtrans-59.8-56.6177.1-164.8-172.372.2-153.2-6110.9E21 V22 K27 N28 E29E21-R25 VanDerWaalsContact O-CB 3.27Å; E21-R25 WeakPolarHBondContact O-CB 3.28Å; E21-R25 PolarHBondContact O-N 3.2Å; V22-R25 PolarHBondContact O-N 2.9Å; R25-K27 VanDerWaalsContact C-N 3.28Å; R25-K27 PolarHBondContact O-N 3.23Å; R25-N28 PolarHBondContact O-N 3Å; R25-E29 WeakPolarHBondContact CD-OE1 3.48Å; R25-E29 HydrophobicContact CG-CG 4.18Å; R25-E29 VanDerWaalsContact CG-OE1 3.27Å; R25-E29 WeakPolarHBondContact CG-OE1 3.49Å; R25-E29 IonicContact CZ-OE1 3.89Å; R25-E29 IonicContact NE-OE1 2.88Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 VanDerWaalsContact O-CG 3.28Å; R25-E29 WeakPolarHBondContact O-CG 3.3Å; R25-E29 PolarHBondContact O-N 2.99Å
26I87.6Confident88.9Confident20 Ų2081.6 Ų81.610%0.10340%0.4CS..Hα-helixtrans-58.9-39.4-179.1-67.6173.8000111.5V22 N28 Y269 T270 Y273V22-I26 HydrophobicContact CG1-CD1 3.72Å; V22-I26 HydrophobicContact CG1-CG1 4.41Å; V22-I26 WeakPolarHBondContact O-CB 3.33Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.35Å; V22-I26 PolarHBondContact O-N 3.41Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.98Å; I26-Y269 HydrophobicContact CG2-CD1 3.85Å; I26-Y269 HydrophobicContact CG2-CE1 3.88Å; I26-T270 HydrophobicContact CG2-CG2 3.84Å; I26-Y273 HydrophobicContact CD1-CD1 4.2Å; I26-Y273 HydrophobicContact CD1-CD2 4.02Å; I26-Y273 HydrophobicContact CD1-CE1 4.36Å; I26-Y273 HydrophobicContact CD1-CE2 4.18Å; I26-Y273 HydrophobicContact CD1-CG 4.04Å; I26-Y273 HydrophobicContact CG1-CD2 4.2Å; I26-Y273 HydrophobicContact CG1-CE1 4.44Å; I26-Y273 HydrophobicContact CG1-CE2 3.88Å; I26-Y273 HydrophobicContact CG2-CD2 4.34Å; I26-Y273 HydrophobicContact CG2-CE2 4.31Å
27K81.2Confident88.3Confident140 Ų14076.3 Ų76.361%0.60938%0.38SS*.Hα-helixtrans-64-36.1175.9-77.5173.4-177.5177.80112.8L23 A24 R25L23-K27 VanDerWaalsContact O-CB 3.3Å; L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 WeakPolarHBondContact O-CD 3.46Å; L23-K27 WeakPolarHBondContact O-CG 3.48Å; L23-K27 PolarHBondContact O-N 3.01Å; A24-K27 PolarHBondContact O-N 2.74Å; R25-K27 VanDerWaalsContact C-N 3.28Å; R25-K27 PolarHBondContact O-N 3.23Å
28N88.6Confident87.1Confident73 Ų7378.8 Ų78.839%0.3941%0.409SS..Hα-helixtrans-85.1-36.1-177.3-72.2-24.1000112.6A24 R25 I26 L30 R31 Q32A24-N28 WeakPolarHBondContact O-CB 3.32Å; A24-N28 VanDerWaalsContact O-CG 3.26Å; A24-N28 PolarHBondContact O-N 3.16Å; A24-N28 PolarHBondContact O-ND2 3.02Å; R25-N28 PolarHBondContact O-N 3Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.98Å; N28-L30 PolarHBondContact O-N 2.82Å; N28-R31 WeakPolarHBondContact O-CB 3.49Å; N28-R31 PolarHBondContact O-N 3.13Å; N28-R31 VanDerWaalsContact O-N 3.13Å; N28-Q32 WeakPolarHBondContact O-CG 3.3Å; N28-Q32 PolarHBondContact O-N 3.4Å
29E92.5Very high85.5Confident25 Ų2579 Ų7912%0.11741%0.411CS..Hα-helixtrans-52.9-53.3179.8-76.9165.8-176.600111.5R25 R31 Q32 I33 Y269 Y273R25-E29 WeakPolarHBondContact CD-OE1 3.48Å; R25-E29 HydrophobicContact CG-CG 4.18Å; R25-E29 VanDerWaalsContact CG-OE1 3.27Å; R25-E29 WeakPolarHBondContact CG-OE1 3.49Å; R25-E29 IonicContact CZ-OE1 3.89Å; R25-E29 IonicContact NE-OE1 2.88Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 VanDerWaalsContact O-CG 3.28Å; R25-E29 WeakPolarHBondContact O-CG 3.3Å; R25-E29 PolarHBondContact O-N 2.99Å; E29-R31 PolarHBondContact O-N 3.04Å; E29-R31 VanDerWaalsContact O-N 3.16Å; E29-Q32 PolarHBondContact O-N 3.46Å; E29-I33 WeakPolarHBondContact O-CG1 3.38Å; E29-I33 PolarHBondContact O-N 3.27Å; E29-Y269 HydrophobicContact CB-CE1 4.08Å; E29-Y269 VanDerWaalsContact CB-OH 3.29Å; E29-Y269 WeakPolarHBondContact CB-OH 3.47Å; E29-Y269 WeakPolarHBondContact OE2-CE1 3.28Å; E29-Y269 PolarHBondContact OE2-OH 2.92Å; E29-Y273 PolarHBondContact OE1-OH 3.45Å; E29-Y273 PolarHBondContact OE2-OH 3.04Å
30L88.7Confident84Confident26 Ų2678.3 Ų78.314%0.13641%0.41CS..Hα-helixtrans-57.6-35.6-178.4-178.862.7000112.9N28 Y269N28-L30 PolarHBondContact O-N 2.82Å; L30-Y269 HydrophobicContact CB-CD1 4.03Å; L30-Y269 HydrophobicContact CB-CD2 4.21Å; L30-Y269 HydrophobicContact CB-CE1 4.31Å; L30-Y269 HydrophobicContact CB-CE2 4.47Å; L30-Y269 HydrophobicContact CB-CG 3.99Å; L30-Y269 HydrophobicContact CD1-CD2 3.68Å; L30-Y269 HydrophobicContact CD1-CE2 4.3Å; L30-Y269 HydrophobicContact CD1-CG 4Å; L30-Y269 HydrophobicContact CD2-CG 4.23Å; L30-Y269 HydrophobicContact CG-CD2 4.4Å; L30-Y269 HydrophobicContact CG-CG 4.29Å
31R87.7Confident82.2Confident208 Ų20877.7 Ų77.779%0.78542%0.415SS*.Hα-helixtrans-74-30.5178.6-65.4177.3177.3174.5-2.5112.3N28 E29N28-R31 WeakPolarHBondContact O-CB 3.49Å; N28-R31 PolarHBondContact O-N 3.13Å; N28-R31 VanDerWaalsContact O-N 3.13Å; E29-R31 PolarHBondContact O-N 3.04Å; E29-R31 VanDerWaalsContact O-N 3.16Å
32Q91.4Very high80.7Confident151 Ų15173 Ų7371%0.70640%0.396SS*.Hα-helixtrans-81.1-22.5179-71.1175.1-10.900112.6N28 E29 P34N28-Q32 WeakPolarHBondContact O-CG 3.3Å; N28-Q32 PolarHBondContact O-N 3.4Å; E29-Q32 PolarHBondContact O-N 3.46Å; Q32-P34 WeakPolarHBondContact O-CD 3.17Å
33I92.9Very high79.2Confident15 Ų1573.4 Ų73.48%0.07740%0.397CS..SBendtrans-71.9121.3175.7-61.9163.3000109.1E29 A249 V252 K253 R256 Y269E29-I33 WeakPolarHBondContact O-CG1 3.38Å; E29-I33 PolarHBondContact O-N 3.27Å; I33-A249 HydrophobicContact CD1-CB 4.11Å; I33-V252 HydrophobicContact CD1-CB 4.05Å; I33-V252 HydrophobicContact CD1-CG1 4.07Å; I33-V252 HydrophobicContact CG2-CG1 4.37Å; I33-K253 HydrophobicContact CG2-CB 3.9Å; I33-K253 HydrophobicContact CG2-CG 4.4Å; I33-R256 PolarHBondContact O-NH1 2.82Å; I33-Y269 HydrophobicContact CD1-CE2 3.91Å
34P91.4Very high77.7Confident73 Ų7369.3 Ų69.347%0.47438%0.379SS..  trans-55.4147.1177.8-2635.4000112.5Q32 G36 R256Q32-P34 WeakPolarHBondContact O-CD 3.17Å; P34-G36 PolarHBondContact O-N 3.36Å; P34-R256 WeakPolarHBondContact O-CD 3.38Å
35G87.7Confident76.1Confident11 Ų1169.9 Ų69.911%0.11337%0.374CS..SBendtrans-64.4-25.5176.800000113.4P260 W261G35-P260 CarbonylContact O-C 3.41Å; G35-P260 WeakPolarHBondContact O-CA 3.24Å; G35-P260 WeakPolarHBondContact O-CB 3.29Å; G35-W261 PolarHBondContact O-N 2.91Å
36G85.6Confident74.5Confident13 Ų1364.7 Ų64.713%0.13435%0.354CS..SBendtrans-172.5-168.8178.500000110.5P34 G38P34-G36 PolarHBondContact O-N 3.36Å; G36-G38 PolarHBondContact O-N 3.48Å
37P80.6Confident72.9Confident43 Ų4371.5 Ų71.528%0.27938%0.379SS..SBendtrans-60.6133.1166.926.8-30.4000108.8D39 L63P37-D39 PolarHBondContact O-N 2.64Å; P37-L63 HydrophobicContact CG-CD1 3.36Å; P37-L63 HydrophobicContact CG-CD2 4.04Å; P37-L63 HydrophobicContact CG-CG 4.38Å
38G65.2Low71.6Confident92 Ų9271.7 Ų71.795%0.94838%0.384SS*.SBendtrans-66.19.6-16300000117.5G36G36-G38 PolarHBondContact O-N 3.48Å
39D60.4Low70Confident85 Ų8571 Ų7146%0.45539%0.393SS..  trans-106.7113.3176.1-170.9-15.8000109.6P37 T41 S42 M43P37-D39 PolarHBondContact O-N 2.64Å; D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.38Å; D39-T41 PolarHBondContact OD1-N 2.94Å; D39-T41 PolarHBondContact OD1-OG1 3.04Å; D39-T41 PolarHBondContact OD2-OG1 2.74Å; D39-S42 WeakPolarHBondContact O-CB 3.31Å; D39-S42 PolarHBondContact O-N 2.85Å; D39-S42 PolarHBondContact O-OG 3.42Å; D39-M43 PolarHBondContact O-N 2.89Å
40E56.9Low68.5Low134 Ų13475.4 Ų75.463%0.62642%0.418SS*.THydrogen-bonded Turntrans-58-28.8176.7-68.2-166.9169.300113S42 M43E40-S42 VanDerWaalsContact C-N 3.32Å; E40-M43 HydrophobicContact CB-CE 4.18Å; E40-M43 HydrophobicContact CG-CE 3.85Å; E40-M43 PolarHBondContact O-N 2.81Å
41T52.7Low67.2Low117 Ų11776 Ų7672%0.71842%0.42SS*.THydrogen-bonded Turntrans-69.5-32.7177.568.70000111.6D39 M43D39-T41 PolarHBondContact O-N 3.29Å; D39-T41 WeakPolarHBondContact OD1-CB 3.38Å; D39-T41 PolarHBondContact OD1-N 2.94Å; D39-T41 PolarHBondContact OD1-OG1 3.04Å; D39-T41 PolarHBondContact OD2-OG1 2.74Å; T41-M43 VanDerWaalsContact C-N 3.27Å; T41-M43 PolarHBondContact O-N 3.43Å
42S56.8Low65.9Low33 Ų3369.3 Ų69.323%0.23140%0.399CS..THydrogen-bonded Turntrans-69.1-27.5175.976.30000112.5D39 E40 G44 L63 E64D39-S42 WeakPolarHBondContact O-CB 3.31Å; D39-S42 PolarHBondContact O-N 2.85Å; D39-S42 PolarHBondContact O-OG 3.42Å; E40-S42 VanDerWaalsContact C-N 3.32Å; S42-G44 PolarHBondContact O-N 3.45Å; S42-L63 VanDerWaalsContact O-CD1 3.24Å; S42-L63 WeakPolarHBondContact O-CD1 3.3Å; S42-E64 PolarHBondContact O-N 2.9Å
43M55.3Low64.5Low28 Ų2866.5 Ų66.514%0.13839%0.394CS..THydrogen-bonded Turntrans-69.32.5-172.6-75.7-162.1-76.100115.3D39 E40 T41 P61 C62 P260D39-M43 PolarHBondContact O-N 2.89Å; E40-M43 HydrophobicContact CB-CE 4.18Å; E40-M43 HydrophobicContact CG-CE 3.85Å; E40-M43 PolarHBondContact O-N 2.81Å; T41-M43 VanDerWaalsContact C-N 3.27Å; T41-M43 PolarHBondContact O-N 3.43Å; M43-P61 HydrophobicContact CB-CB 4.13Å; M43-P61 VanDerWaalsContact O-CB 3.23Å; M43-P61 WeakPolarHBondContact O-CB 3.49Å; M43-C62 CarbonylContact O-C 3.58Å; M43-C62 PolarHBondContact O-N 3.2Å; M43-P260 HydrophobicContact CG-CG 4.33Å; M43-P260 HydrophobicContact SD-CB 4.22Å; M43-P260 HydrophobicContact SD-CG 4.47Å
44G53.8Low63.4Low12 Ų1269 Ų6912%0.12440%0.404CS..  trans46.674.8170.900000111.6S42 C46 C62S42-G44 PolarHBondContact O-N 3.45Å; G44-C46 PolarHBondContact O-N 3.19Å; G44-C62 CarbonylContact C-O 3.47Å; G44-C62 VanDerWaalsContact CA-O 3.22Å; G44-C62 WeakPolarHBondContact CA-O 3.21Å; G44-C62 PolarHBondContact O-N 3.09Å; G44-C62 VanDerWaalsContact O-N 3.09Å
45Q53.2Low62.9Low58 Ų5866.1 Ų66.127%0.27139%0.385SS..  trans-74.4133.1-173.1-64.3-177.3-1.200109.7R47Q45-R47 HydrophobicContact CB-CB 3.89Å; Q45-R47 HydrophobicContact CB-CG 3.89Å; Q45-R47 PolarHBondContact O-N 3.08Å
46C55.1Low62.8Low1 Ų167.4 Ų67.41%0.00739%0.387CS..THydrogen-bonded Turntrans-61.447.9157.4-72.90000111.8G44 L52 C55 H81G44-C46 PolarHBondContact O-N 3.19Å; C46-L52 WeakPolarHBondContact O-CD2 3.49Å; C46-L52 WeakPolarHBondContact O-CG 3.47Å; C46-C55 HydrophobicContact CB-CB 3.47Å; C46-C55 VanDerWaalsContact CB-CB 3.47Å; C46-C55 WeakPolarHBondContact CB-SG 3.28Å; C46-C55 WeakPolarHBondContact SG-CB 3.45Å; C46-C55 CovalentContact SG-SG 2.02Å; C46-C55 PolarHBondContact SG-SG 3.35Å; C46-H81 PolarHBondContact SG-CD2 2.89Å
47R52.8Low62.9Low164 Ų16469.9 Ų69.962%0.61939%0.393SS*.THydrogen-bonded Turntrans-124.4-13.2-178-70.4-165.1-163.2166.2-10.4112.9Q45 L52Q45-R47 HydrophobicContact CB-CB 3.89Å; Q45-R47 HydrophobicContact CB-CG 3.89Å; Q45-R47 PolarHBondContact O-N 3.08Å; R47-L52 VanDerWaalsContact O-CD1 3.31Å; R47-L52 WeakPolarHBondContact O-CD1 3.37Å
48M54.2Low62.8Low144 Ų14472.1 Ų72.171%0.70941%0.406SS*.SBendtrans-85.6118.4178.2-68.4-80.3-142.800110.1D50 Q51M48-D50 PolarHBondContact O-N 2.96Å; M48-Q51 PolarHBondContact O-N 3.32Å
49G56.4Low63.6Low57 Ų5773.5 Ų73.559%0.58839%0.391SS*.G310 helixtrans19.2-93.8167.500000116.1Q51 L52G49-Q51 VanDerWaalsContact C-N 3.29Å; G49-Q51 PolarHBondContact O-N 3Å; G49-L52 PolarHBondContact O-N 2.97Å
50D60.5Low64.9Low118 Ų11869.7 Ų69.763%0.63137%0.371SS*.G310 helixtrans-69.5-17.3-170.3-59-19000115.1M48M48-D50 PolarHBondContact O-N 2.96Å
51Q61.9Low66.4Low39 Ų3964 Ų6418%0.18235%0.345CS..G310 helixtrans-89.3-26.4-178.4-62.9-178.5-10.300112.8M48 G49 P53 K54 C55 F79M48-Q51 PolarHBondContact O-N 3.32Å; G49-Q51 VanDerWaalsContact C-N 3.29Å; G49-Q51 PolarHBondContact O-N 3Å; Q51-P53 VanDerWaalsContact C-CD 3.48Å; Q51-K54 WeakPolarHBondContact O-CB 3.35Å; Q51-K54 PolarHBondContact O-N 3.34Å; Q51-C55 PolarHBondContact O-SG 3.49Å; Q51-C55 VanDerWaalsContact O-SG 3.4Å; Q51-F79 HydrophobicContact CB-CD1 4.31Å; Q51-F79 HydrophobicContact CB-CG 4.33Å; Q51-F79 HydrophobicContact CG-CB 4Å; Q51-F79 HydrophobicContact CG-CD1 4.35Å; Q51-F79 HydrophobicContact CG-CD2 4.16Å; Q51-F79 HydrophobicContact CG-CG 3.9Å
52L59.2Low68.1Low68 Ų6858.4 Ų58.436%0.35631%0.312SS..G310 helixtrans-51.1-46.9-179.6-90.5149.7000113.2C46 R47 G49 K54 C55 T58C46-L52 WeakPolarHBondContact O-CD2 3.49Å; C46-L52 WeakPolarHBondContact O-CG 3.47Å; R47-L52 VanDerWaalsContact O-CD1 3.31Å; R47-L52 WeakPolarHBondContact O-CD1 3.37Å; G49-L52 PolarHBondContact O-N 2.97Å; L52-K54 PolarHBondContact O-N 3.36Å; L52-K54 VanDerWaalsContact O-N 3.17Å; L52-C55 PolarHBondContact O-N 3.39Å; L52-T58 HydrophobicContact CD2-CG2 4.05Å
53P61.8Low69.7Low91 Ų9157 Ų5759%0.59130%0.302SS*.G310 helixtrans-62.7-22.7179-22.734.5000113.7Q51 C55Q51-P53 VanDerWaalsContact C-CD 3.48Å; P53-C55 VanDerWaalsContact C-N 3.32Å
54K70.2Confident71.2Confident69 Ų6959.9 Ų59.930%0.331%0.314SS..G310 helixtrans-87.1-0.1-177.6-62.1-173.5173.9-168.50113.5Q51 L52 Q77 F79 M98Q51-K54 WeakPolarHBondContact O-CB 3.35Å; Q51-K54 PolarHBondContact O-N 3.34Å; L52-K54 PolarHBondContact O-N 3.36Å; L52-K54 VanDerWaalsContact O-N 3.17Å; K54-Q77 PolarHBondContact NZ-O 3.44Å; K54-F79 HydrophobicContact CB-CD1 3.96Å; K54-F79 HydrophobicContact CB-CE1 4.16Å; K54-F79 HydrophobicContact CD-CD1 4.07Å; K54-M98 VanDerWaalsContact O-CE 3.27Å; K54-M98 WeakPolarHBondContact O-CE 3.38Å
55C80.1Confident72.9Confident11 Ų1163.6 Ų63.67%0.07434%0.344CS..  trans-113.5114.1-176.3-57.30000110.8C46 Q51 L52 P53 Y57C46-C55 HydrophobicContact CB-CB 3.47Å; C46-C55 VanDerWaalsContact CB-CB 3.47Å; C46-C55 WeakPolarHBondContact CB-SG 3.28Å; C46-C55 WeakPolarHBondContact SG-CB 3.45Å; C46-C55 CovalentContact SG-SG 2.02Å; C46-C55 PolarHBondContact SG-SG 3.35Å; Q51-C55 PolarHBondContact O-SG 3.49Å; Q51-C55 VanDerWaalsContact O-SG 3.4Å; L52-C55 PolarHBondContact O-N 3.39Å; P53-C55 VanDerWaalsContact C-N 3.32Å; C55-Y57 PolarHBondContact O-N 2.99Å
56R86.3Confident74.8Confident38 Ų3862.2 Ų62.214%0.14334%0.339CS..SBendtrans-56.9-33174.6-178.3179.6-64.1-107.56.3112.6M98 P100 E101 T132 K133R56-M98 HydrophobicContact CB-CE 4.07Å; R56-M98 HydrophobicContact CB-CG 4.26Å; R56-M98 HydrophobicContact CB-SD 3.44Å; R56-M98 WeakPolarHBondContact CB-SD 3.35Å; R56-M98 PolarHBondContact N-SD 2.94Å; R56-P100 PolarHBondContact NH2-O 2.76Å; R56-E101 VanDerWaalsContact CB-OE1 3.32Å; R56-E101 WeakPolarHBondContact CB-OE1 3.49Å; R56-E101 WeakPolarHBondContact CG-OE1 3.28Å; R56-E101 VanDerWaalsContact CZ-CG 3.48Å; R56-E101 IonicContact CZ-OE1 3.7Å; R56-E101 IonicContact NE-OE1 2.86Å; R56-E101 PolarHBondContact NE-OE1 2.9Å; R56-E101 IonicContact NH1-OE1 2.66Å; R56-E101 IonicContact NH2-OE1 2.68Å; R56-T132 PolarHBondContact NH1-O 3.2Å; R56-K133 VanDerWaalsContact CZ-O 3.27Å; R56-K133 PolarHBondContact NH1-O 3.37Å; R56-K133 PolarHBondContact NH2-O 3.47Å
57Y86.8Confident76.6Confident66 Ų6664 Ų6426%0.25935%0.346SS..  trans-132.3112.5-178.1-55.3-72.6000110.7C55 N59 V60 S221 A222C55-Y57 PolarHBondContact O-N 2.99Å; Y57-N59 PolarHBondContact O-N 3.41Å; Y57-V60 HydrophobicContact CD2-CG2 4.44Å; Y57-V60 HydrophobicContact CG-CG2 4.29Å; Y57-V60 PolarHBondContact O-N 2.95Å; Y57-V60 VanDerWaalsContact O-N 3.13Å; Y57-S221 PolarHBondContact OH-OG 3Å; Y57-A222 HydrophobicContact CD2-CB 3.58Å; Y57-A222 HydrophobicContact CE2-CB 3.67Å
58T79.4Confident78.6Confident89 Ų8956.1 Ų56.155%0.54632%0.317SS..THydrogen-bonded Turntrans-67.9-19.4-177560000113.8L52L52-T58 HydrophobicContact CD2-CG2 4.05Å
59N82.3Confident80.4Confident121 Ų12151.7 Ų51.765%0.64730%0.295SS*.THydrogen-bonded Turntrans-911.7176.670.4-41.7000113.6Y57 P61Y57-N59 PolarHBondContact O-N 3.41Å; N59-P61 WeakPolarHBondContact O-CD 3.48Å
60V87.4Confident82Confident6 Ų649.2 Ų49.24%0.03627%0.268CS..SBendtrans-102.5106178.5179.70000109.2Y57 H81 A222 I224Y57-V60 HydrophobicContact CD2-CG2 4.44Å; Y57-V60 HydrophobicContact CG-CG2 4.29Å; Y57-V60 PolarHBondContact O-N 2.95Å; Y57-V60 VanDerWaalsContact O-N 3.13Å; V60-H81 PolarHBondContact O-NE2 3.44Å; V60-A222 HydrophobicContact CG2-CB 4.17Å; V60-I224 HydrophobicContact CB-CD1 4.48Å; V60-I224 HydrophobicContact CG1-CD1 3.86Å; V60-I224 HydrophobicContact CG1-CG1 4.31Å; V60-I224 HydrophobicContact CG1-CG2 3.92Å; V60-I224 HydrophobicContact CG2-CD1 3.84Å
61P87.4Confident83.3Confident13 Ų1352 Ų528%0.08427%0.27CS..  trans-70157179.529.8-37000112.5M43 N59 H81 P260M43-P61 HydrophobicContact CB-CB 4.13Å; M43-P61 VanDerWaalsContact O-CB 3.23Å; M43-P61 WeakPolarHBondContact O-CB 3.49Å; N59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-H81 PolarHBondContact O-CE1 3.42Å; P61-P260 HydrophobicContact CG-CB 3.8Å; P61-P260 HydrophobicContact CG-CG 4.26Å
62C89Confident84.4Confident1 Ų155.5 Ų55.51%0.00729%0.286CS..  trans-125.7107.7171.5-171.80000108.1M43 G44 E64 F79 N83M43-C62 CarbonylContact O-C 3.58Å; M43-C62 PolarHBondContact O-N 3.2Å; G44-C62 CarbonylContact C-O 3.47Å; G44-C62 VanDerWaalsContact CA-O 3.22Å; G44-C62 WeakPolarHBondContact CA-O 3.21Å; G44-C62 PolarHBondContact O-N 3.09Å; G44-C62 VanDerWaalsContact O-N 3.09Å; C62-E64 PolarHBondContact O-N 3.3Å; C62-F79 HydrophobicContact CB-CE2 4.06Å; C62-F79 HydrophobicContact CB-CZ 4.12Å; C62-N83 PolarHBondContact SG-OD1 3.03Å
63L89.8Confident85.7Confident4 Ų455.1 Ų55.12%0.02128%0.284CS..  trans-62.2122.7-171.6-17673.1000111.6P37 S42 A65 T66 R67 N83 S257 P260P37-L63 HydrophobicContact CG-CD1 3.36Å; P37-L63 HydrophobicContact CG-CD2 4.04Å; P37-L63 HydrophobicContact CG-CG 4.38Å; S42-L63 VanDerWaalsContact O-CD1 3.24Å; S42-L63 WeakPolarHBondContact O-CD1 3.3Å; L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 HydrophobicContact CD2-CB 4.44Å; L63-A65 HydrophobicContact CG-CB 4.33Å; L63-A65 PolarHBondContact O-N 3.31Å; L63-T66 HydrophobicContact CD2-CG2 3.95Å; L63-T66 PolarHBondContact O-N 3.37Å; L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 PolarHBondContact O-N 3.13Å; L63-N83 PolarHBondContact N-ND2 2.94Å; L63-N83 PolarHBondContact O-ND2 3.2Å; L63-S257 WeakPolarHBondContact CD2-O 3.36Å; L63-P260 HydrophobicContact CB-CG 4.07Å; L63-P260 HydrophobicContact CD1-CG 4.48Å
64E87.3Confident86.8Confident87 Ų8753.8 Ų53.841%0.40728%0.275SS..G310 helixtrans-60.1-41.7-175.5-177.461.5-153.400111.7S42 C62 T66 R67S42-E64 PolarHBondContact O-N 2.9Å; C62-E64 PolarHBondContact O-N 3.3Å; E64-T66 PolarHBondContact O-N 3.36Å; E64-T66 VanDerWaalsContact O-N 3.15Å; E64-R67 WeakPolarHBondContact O-CG 3.46Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 IonicContact OE1-CZ 3.3Å; E64-R67 IonicContact OE1-NE 3.43Å; E64-R67 PolarHBondContact OE1-NE 3.31Å; E64-R67 IonicContact OE1-NH2 3.95Å; E64-R67 PolarHBondContact OE1-NH2 3.37Å; E64-R67 VanDerWaalsContact OE2-CD 3.27Å; E64-R67 WeakPolarHBondContact OE2-CD 3.47Å; E64-R67 IonicContact OE2-CZ 2.81Å; E64-R67 IonicContact OE2-NE 3.52Å; E64-R67 PolarHBondContact OE2-NE 2.91Å; E64-R67 IonicContact OE2-NH2 3.94Å
65A90Very high87.4Confident90 Ų9055.6 Ų55.674%0.74429%0.294SS*.G310 helixtrans-62.9-23.8-175.700000114.3L63L63-A65 VanDerWaalsContact C-N 3.3Å; L63-A65 HydrophobicContact CD2-CB 4.44Å; L63-A65 HydrophobicContact CG-CB 4.33Å; L63-A65 PolarHBondContact O-N 3.31Å
66T93.3Very high87.5Confident29 Ų2958.5 Ų58.518%0.17831%0.314CS..G310 helixtrans-123.84.9-175.560.40000112.5L63 E64 N83 F84 M258L63-T66 HydrophobicContact CD2-CG2 3.95Å; L63-T66 PolarHBondContact O-N 3.37Å; E64-T66 PolarHBondContact O-N 3.36Å; E64-T66 VanDerWaalsContact O-N 3.15Å; T66-N83 CarbonylContact O-C 3.6Å; T66-N83 VanDerWaalsContact O-CA 3.3Å; T66-N83 WeakPolarHBondContact O-CA 3.43Å; T66-N83 PolarHBondContact OG1-ND2 3.06Å; T66-F84 PolarHBondContact O-N 3.06Å; T66-M258 HydrophobicContact CG2-CB 4Å; T66-M258 HydrophobicContact CG2-CG 3.94Å; T66-M258 PolarHBondContact OG1-O 2.83Å
67R92.7Very high87.2Confident38 Ų3861.2 Ų61.214%0.14333%0.328CS..EExtended strand (participates in β ladder)trans-65.1147-175.674.1177.2172.6126.8-9111.4L63 E64 L69 N78 A82 N83L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 PolarHBondContact O-N 3.13Å; E64-R67 WeakPolarHBondContact O-CG 3.46Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 IonicContact OE1-CZ 3.3Å; E64-R67 IonicContact OE1-NE 3.43Å; E64-R67 PolarHBondContact OE1-NE 3.31Å; E64-R67 IonicContact OE1-NH2 3.95Å; E64-R67 PolarHBondContact OE1-NH2 3.37Å; E64-R67 VanDerWaalsContact OE2-CD 3.27Å; E64-R67 WeakPolarHBondContact OE2-CD 3.47Å; E64-R67 IonicContact OE2-CZ 2.81Å; E64-R67 IonicContact OE2-NE 3.52Å; E64-R67 PolarHBondContact OE2-NE 2.91Å; E64-R67 IonicContact OE2-NH2 3.94Å; R67-L69 HydrophobicContact CG-CD2 3.79Å; R67-L69 HydrophobicContact CG-CG 4.48Å; R67-N78 PolarHBondContact NH1-OD1 3.37Å; R67-A82 CarbonylContact C-O 3.57Å; R67-A82 WeakPolarHBondContact CA-O 3.5Å; R67-N83 WeakPolarHBondContact CA-ND2 3.37Å; R67-N83 PolarHBondContact N-ND2 3.34Å
68V94.8Very high87.2Confident0 Ų058.9 Ų58.90%032%0.32CS..EExtended strand (participates in β ladder)trans-82.9136.3170.3-170.50000108.7T80 A82 F84 I95 I111 E115V68-T80 PolarHBondContact O-OG1 3.44Å; V68-A82 HydrophobicContact CB-CB 4.19Å; V68-A82 HydrophobicContact CG2-CB 3.99Å; V68-A82 PolarHBondContact N-O 3.06Å; V68-F84 HydrophobicContact CB-CE2 4.24Å; V68-F84 HydrophobicContact CB-CZ 4.44Å; V68-F84 HydrophobicContact CG1-CE2 4.25Å; V68-F84 HydrophobicContact CG1-CZ 4.06Å; V68-F84 HydrophobicContact CG2-CD1 4.34Å; V68-F84 HydrophobicContact CG2-CD2 3.91Å; V68-F84 HydrophobicContact CG2-CE1 4.19Å; V68-F84 HydrophobicContact CG2-CE2 3.74Å; V68-F84 HydrophobicContact CG2-CG 4.21Å; V68-F84 HydrophobicContact CG2-CZ 3.89Å; V68-I95 HydrophobicContact CG2-CD1 4.38Å; V68-I95 HydrophobicContact CG2-CG1 4.3Å; V68-I95 HydrophobicContact CG2-CG2 3.93Å; V68-I111 HydrophobicContact CG1-CG1 4.17Å; V68-I111 HydrophobicContact CG1-CG2 3.7Å; V68-E115 HydrophobicContact CG1-CG 3.89Å
69L91.4Very high87.6Confident50 Ų5055 Ų5526%0.26230%0.296SS..EExtended strand (participates in β ladder)trans-112.3140.5-176.6-60.3178.3000110.8R67 R71R67-L69 HydrophobicContact CG-CD2 3.79Å; R67-L69 HydrophobicContact CG-CG 4.48Å; L69-R71 HydrophobicContact CB-CG 4.23Å; L69-R71 PolarHBondContact O-N 3.43Å
70L90Very high87.9Confident5 Ų549.6 Ų49.63%0.02627%0.267CS..  trans-74.381.9160.2-57170.1000108.2H72 M73 N78 T80 T110 I111L70-H72 PolarHBondContact O-N 3.33Å; L70-M73 HydrophobicContact CB-CB 4Å; L70-M73 HydrophobicContact CB-CG 3.71Å; L70-M73 HydrophobicContact CD1-CG 4.18Å; L70-M73 WeakPolarHBondContact O-CB 3.08Å; L70-M73 PolarHBondContact O-N 2.9Å; L70-N78 HydrophobicContact CB-CB 4.39Å; L70-N78 PolarHBondContact N-O 2.82Å; L70-N78 WeakPolarHBondContact O-CB 3.1Å; L70-T80 HydrophobicContact CD1-CG2 3.97Å; L70-T80 HydrophobicContact CD2-CG2 3.71Å; L70-T80 HydrophobicContact CG-CG2 3.44Å; L70-T80 VanDerWaalsContact CG-CG2 3.44Å; L70-T110 HydrophobicContact CD2-CG2 3.94Å; L70-I111 HydrophobicContact CD2-CG1 4Å
71R87.7Confident88.1Confident177 Ų17749.9 Ų49.967%0.66827%0.268SS*.THydrogen-bonded Turntrans-57.5-21.8-170.3-63.4176.6-174.7-97.91115.4L69 E115L69-R71 HydrophobicContact CB-CG 4.23Å; L69-R71 PolarHBondContact O-N 3.43Å; R71-E115 IonicContact NE-OE1 3.51Å
72H85.8Confident88.5Confident112 Ų11249.3 Ų49.352%0.51927%0.265SS..THydrogen-bonded Turntrans-86.4-10.817864.6-72.2000112.9L70 T110L70-H72 PolarHBondContact O-N 3.33Å; H72-T110 WeakPolarHBondContact CE1-CG2 3.49Å
73M86.6Confident88.9Confident61 Ų6149.3 Ų49.330%0.326%0.264SS..SBendtrans-94.5150.8178.7-63.3-60.8-79.900110.8L70 Q77 N78L70-M73 HydrophobicContact CB-CB 4Å; L70-M73 HydrophobicContact CB-CG 3.71Å; L70-M73 HydrophobicContact CD1-CG 4.18Å; L70-M73 WeakPolarHBondContact O-CB 3.08Å; L70-M73 PolarHBondContact O-N 2.9Å; M73-Q77 HydrophobicContact CB-CB 4.35Å; M73-Q77 HydrophobicContact CE-CB 3.96Å; M73-N78 HydrophobicContact CB-CB 4.09Å
74P85.6Confident89.3Confident62 Ų6250.4 Ų50.440%0.40327%0.269SS..  trans-61.9157.1174.326.9-34.9000111.4S76 Q77 N78P74-S76 PolarHBondContact O-N 3.4Å; P74-Q77 HydrophobicContact CG-CB 4.16Å; P74-Q77 HydrophobicContact CG-CG 4.24Å; P74-Q77 CarbonylContact O-C 3.57Å; P74-Q77 PolarHBondContact O-N 3.46Å; P74-N78 WeakPolarHBondContact O-CB 3.5Å; P74-N78 PolarHBondContact O-N 3.35Å
75P82.2Confident89.8Confident108 Ų10846.3 Ų46.370%0.70125%0.25SC*.THydrogen-bonded Turntrans-51.7-33.5-178-30.336.4000115.5Q77 N78P75-Q77 PolarHBondContact O-N 3.31Å; P75-N78 PolarHBondContact O-OD1 2.98Å
76S81Confident90.1Very high71 Ų7149 Ų4950%0.49724%0.241SC..THydrogen-bonded Turntrans-68.3-21.2176.751.80000113.8P74P74-S76 PolarHBondContact O-N 3.4Å
77Q81.1Confident90.2Very high95 Ų9548.7 Ų48.744%0.44424%0.237SC..THydrogen-bonded Turntrans-120.3-5.8-174.8-60.7-177.620.400113.5K54 M73 P74 P75 F79K54-Q77 PolarHBondContact NZ-O 3.44Å; M73-Q77 HydrophobicContact CB-CB 4.35Å; M73-Q77 HydrophobicContact CE-CB 3.96Å; P74-Q77 HydrophobicContact CG-CB 4.16Å; P74-Q77 HydrophobicContact CG-CG 4.24Å; P74-Q77 CarbonylContact O-C 3.57Å; P74-Q77 PolarHBondContact O-N 3.46Å; P75-Q77 PolarHBondContact O-N 3.31Å; Q77-F79 PolarHBondContact O-N 2.93Å
78N87.6Confident90.2Very high18 Ų1850.5 Ų50.510%0.09626%0.26CS..  trans-77.9-1.2-172.576.95.4000115.8R67 L70 M73 P74 P75R67-N78 PolarHBondContact NH1-OD1 3.37Å; L70-N78 HydrophobicContact CB-CB 4.39Å; L70-N78 PolarHBondContact N-O 2.82Å; L70-N78 WeakPolarHBondContact O-CB 3.1Å; M73-N78 HydrophobicContact CB-CB 4.09Å; P74-N78 WeakPolarHBondContact O-CB 3.5Å; P74-N78 PolarHBondContact O-N 3.35Å; P75-N78 PolarHBondContact O-OD1 2.98Å
79F86.6Confident89.9Confident6 Ų655.1 Ų55.13%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-67.7136.9-176.3176.4-95.2000112.4Q51 K54 C62 Q77 H81Q51-F79 HydrophobicContact CB-CD1 4.31Å; Q51-F79 HydrophobicContact CB-CG 4.33Å; Q51-F79 HydrophobicContact CG-CB 4Å; Q51-F79 HydrophobicContact CG-CD1 4.35Å; Q51-F79 HydrophobicContact CG-CD2 4.16Å; Q51-F79 HydrophobicContact CG-CG 3.9Å; K54-F79 HydrophobicContact CB-CD1 3.96Å; K54-F79 HydrophobicContact CB-CE1 4.16Å; K54-F79 HydrophobicContact CD-CD1 4.07Å; C62-F79 HydrophobicContact CB-CE2 4.06Å; C62-F79 HydrophobicContact CB-CZ 4.12Å; Q77-F79 PolarHBondContact O-N 2.93Å; F79-H81 HydrophobicContact CE1-CB 4.18Å; F79-H81 HydrophobicContact CZ-CB 4.21Å
80T88.5Confident90Very high8 Ų854.2 Ų54.25%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-136.1146.8167.1740000109.2V68 L70 A82 I111V68-T80 PolarHBondContact O-OG1 3.44Å; L70-T80 HydrophobicContact CD1-CG2 3.97Å; L70-T80 HydrophobicContact CD2-CG2 3.71Å; L70-T80 HydrophobicContact CG-CG2 3.44Å; L70-T80 VanDerWaalsContact CG-CG2 3.44Å; T80-A82 PolarHBondContact O-N 3.46Å; T80-I111 HydrophobicContact CG2-CD1 3.42Å; T80-I111 VanDerWaalsContact CG2-CD1 3.42Å; T80-I111 HydrophobicContact CG2-CG1 3.82Å; T80-I111 WeakPolarHBondContact OG1-CD1 3.37Å
81H92.2Very high90.2Very high13 Ų1355.8 Ų55.86%0.0629%0.292CS..EExtended strand (participates in β ladder)trans-87.763.6178.3-158-40.6000111C46 V60 P61 F79 M98 R259C46-H81 PolarHBondContact SG-CD2 2.89Å; V60-H81 PolarHBondContact O-NE2 3.44Å; P61-H81 PolarHBondContact O-CE1 3.42Å; F79-H81 HydrophobicContact CE1-CB 4.18Å; F79-H81 HydrophobicContact CZ-CB 4.21Å; H81-M98 HydrophobicContact CB-CB 3.83Å; H81-M98 HydrophobicContact CB-CE 3.9Å; H81-M98 HydrophobicContact CB-SD 4.01Å; H81-M98 WeakPolarHBondContact O-CB 3.42Å; H81-M98 PolarHBondContact O-N 3.22Å; H81-R259 PolarHBondContact CE1-NH1 3.48Å; H81-R259 VanDerWaalsContact CE1-NH1 3.32Å; H81-R259 PolarHBondContact CE1-NH2 3.38Å; H81-R259 PolarHBondContact ND1-NH1 3.02Å; H81-R259 PolarHBondContact ND1-NH2 3.27Å
82A95.4Very high90.5Very high1 Ų148.1 Ų48.11%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-146.3146.6-179.700000111R67 V68 T80 I95 A96 A97 I111R67-A82 CarbonylContact C-O 3.57Å; R67-A82 WeakPolarHBondContact CA-O 3.5Å; V68-A82 HydrophobicContact CB-CB 4.19Å; V68-A82 HydrophobicContact CG2-CB 3.99Å; V68-A82 PolarHBondContact N-O 3.06Å; T80-A82 PolarHBondContact O-N 3.46Å; A82-I95 HydrophobicContact CB-CG2 3.84Å; A82-A96 CarbonylContact C-O 3.57Å; A82-A96 VanDerWaalsContact CA-O 3.28Å; A82-A96 WeakPolarHBondContact CA-O 3.32Å; A82-A97 HydrophobicContact CB-CB 3.75Å; A82-I111 HydrophobicContact CB-CD1 4.47Å
83N96.6Very high91.1Very high0 Ų044.4 Ų44.40%025%0.25CC..EExtended strand (participates in β ladder)trans-127.1142.3176.9-64.5100000111.1C62 L63 T66 R67 I95 A96 M258 R259C62-N83 PolarHBondContact SG-OD1 3.03Å; L63-N83 PolarHBondContact N-ND2 2.94Å; L63-N83 PolarHBondContact O-ND2 3.2Å; T66-N83 CarbonylContact O-C 3.6Å; T66-N83 VanDerWaalsContact O-CA 3.3Å; T66-N83 WeakPolarHBondContact O-CA 3.43Å; T66-N83 PolarHBondContact OG1-ND2 3.06Å; R67-N83 WeakPolarHBondContact CA-ND2 3.37Å; R67-N83 PolarHBondContact N-ND2 3.34Å; N83-I95 CarbonylContact O-C 3.53Å; N83-I95 WeakPolarHBondContact O-CA 3.3Å; N83-A96 PolarHBondContact N-O 3.12Å; N83-A96 PolarHBondContact O-N 3.28Å; N83-M258 VanDerWaalsContact CB-O 3.28Å; N83-M258 WeakPolarHBondContact CB-O 3.47Å; N83-R259 HydrophobicContact CB-CB 4.4Å; N83-R259 WeakPolarHBondContact OD1-CD 3.16Å; N83-R259 PolarHBondContact OD1-NH1 3.05Å
84F98.1Very high91.7Very high28 Ų2841.5 Ų41.512%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-68.9135.5165.7-68.5-71.5000110.3T66 V68 V93 F94 I95 E115T66-F84 PolarHBondContact O-N 3.06Å; V68-F84 HydrophobicContact CB-CE2 4.24Å; V68-F84 HydrophobicContact CB-CZ 4.44Å; V68-F84 HydrophobicContact CG1-CE2 4.25Å; V68-F84 HydrophobicContact CG1-CZ 4.06Å; V68-F84 HydrophobicContact CG2-CD1 4.34Å; V68-F84 HydrophobicContact CG2-CD2 3.91Å; V68-F84 HydrophobicContact CG2-CE1 4.19Å; V68-F84 HydrophobicContact CG2-CE2 3.74Å; V68-F84 HydrophobicContact CG2-CG 4.21Å; V68-F84 HydrophobicContact CG2-CZ 3.89Å; F84-V93 HydrophobicContact CD1-CG1 3.82Å; F84-V93 HydrophobicContact CE1-CG1 4.3Å; F84-F94 CarbonylContact C-O 3.31Å; F84-F94 WeakPolarHBondContact CA-O 3.37Å; F84-I95 HydrophobicContact CD1-CD1 4.36Å; F84-I95 HydrophobicContact CD1-CG1 3.76Å; F84-I95 HydrophobicContact CE1-CD1 3.87Å; F84-I95 HydrophobicContact CE1-CG1 3.8Å; F84-E115 HydrophobicContact CE1-CG 4.37Å; F84-E115 HydrophobicContact CZ-CG 4.05Å; F84-E115 WeakPolarHBondContact CZ-OE2 3.45Å
85I98.4Very high92.3Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-117.3123.4169.8-42.3-63.4000108.1F87 F94 A96 I231 V255 M258 R259I85-F87 HydrophobicContact CG2-CD1 4.18Å; I85-F94 HydrophobicContact CB-CB 3.99Å; I85-F94 PolarHBondContact N-O 3.43Å; I85-F94 PolarHBondContact O-N 3.15Å; I85-A96 HydrophobicContact CD1-CB 4.09Å; I85-A96 HydrophobicContact CG1-CB 3.87Å; I85-I231 HydrophobicContact CB-CG2 4.33Å; I85-I231 HydrophobicContact CG1-CD1 4.03Å; I85-I231 HydrophobicContact CG2-CG2 3.92Å; I85-V255 HydrophobicContact CG2-CG2 4.42Å; I85-M258 HydrophobicContact CD1-CB 3.69Å; I85-M258 HydrophobicContact CG2-CE 3.63Å; I85-M258 HydrophobicContact CG2-SD 4.21Å; I85-R259 HydrophobicContact CD1-CB 3.55Å
86R96.6Very high93.1Very high146 Ų14633.4 Ų33.455%0.55118%0.183SC*.  trans-131.8128179.8-61.9178.3-176.6-92-3.7108.8V93 M258R86-V93 VanDerWaalsContact NH1-CG2 3.32Å; R86-M258 HydrophobicContact CB-SD 4.49Å; R86-M258 PolarHBondContact N-SD 3.21Å; R86-M258 WeakPolarHBondContact O-CE 3.28Å
87F96Very high93.9Very high24 Ų2430.1 Ų30.111%0.10516%0.16CC..  trans-144163.8-179.854.9-90.1000110.1I85 A90 F94 I231 V234 M235 T254I85-F87 HydrophobicContact CG2-CD1 4.18Å; F87-A90 HydrophobicContact CD1-CB 4.21Å; F87-A90 HydrophobicContact CD2-CB 3.76Å; F87-A90 HydrophobicContact CE1-CB 4.03Å; F87-A90 HydrophobicContact CE2-CB 3.53Å; F87-A90 HydrophobicContact CG-CB 4.08Å; F87-A90 HydrophobicContact CZ-CB 3.68Å; F87-A90 VanDerWaalsContact O-CB 3.25Å; F87-A90 WeakPolarHBondContact O-CB 3.35Å; F87-A90 PolarHBondContact O-N 3.28Å; F87-F94 AromaticContact CE1-CD2 3.63Å; F87-F94 HydrophobicContact CE1-CD2 3.63Å; F87-F94 AromaticContact CE1-CE2 3.83Å; F87-F94 HydrophobicContact CE1-CE2 3.83Å; F87-F94 AromaticContact CZ-CD2 4Å; F87-F94 HydrophobicContact CZ-CD2 4Å; F87-F94 AromaticContact CZ-CE2 3.67Å; F87-F94 HydrophobicContact CZ-CE2 3.67Å; F87-I231 HydrophobicContact CE1-CG2 3.88Å; F87-V234 HydrophobicContact CZ-CG1 4.07Å; F87-M235 HydrophobicContact CB-SD 3.98Å; F87-M235 HydrophobicContact CD2-CB 3.71Å; F87-M235 HydrophobicContact CD2-CG 3.57Å; F87-M235 HydrophobicContact CD2-SD 4.11Å; F87-M235 HydrophobicContact CE2-CB 3.6Å; F87-M235 HydrophobicContact CE2-CG 3.96Å; F87-M235 HydrophobicContact CG-CB 4.26Å; F87-M235 HydrophobicContact CG-CG 4.11Å; F87-M235 HydrophobicContact CG-SD 4.06Å; F87-M235 HydrophobicContact CZ-CB 4.03Å; F87-T254 HydrophobicContact CB-CG2 4.12Å
88A91.5Very high94.6Very high75 Ų7526.5 Ų26.562%0.6214%0.144SC*.THydrogen-bonded Turntrans-62.1144178.200000110.9A90A88-A90 PolarHBondContact O-N 3Å; A88-A90 VanDerWaalsContact O-N 3.09Å
89H89Confident95Very high98 Ų9825.6 Ų25.645%0.45414%0.139SC..THydrogen-bonded Turntrans60.511.9-177.6-45.3-56000115.3T238 E244H89-T238 WeakPolarHBondContact O-CB 3.4Å; H89-T238 WeakPolarHBondContact O-CG2 3.29Å; H89-E244 IonicContact CD2-OE1 3.57Å; H89-E244 IonicContact CE1-OE1 3.38Å; H89-E244 IonicContact NE2-OE1 2.69Å; H89-E244 PolarHBondContact NE2-OE1 2.67Å; H89-E244 IonicContact NE2-OE2 2.79Å
90A93.7Very high95.5Very high30 Ų3025.5 Ų25.525%0.24814%0.139CC..  trans-59.8132.1175.600000110.3F87 A88 C92 F94F87-A90 HydrophobicContact CD1-CB 4.21Å; F87-A90 HydrophobicContact CD2-CB 3.76Å; F87-A90 HydrophobicContact CE1-CB 4.03Å; F87-A90 HydrophobicContact CE2-CB 3.53Å; F87-A90 HydrophobicContact CG-CB 4.08Å; F87-A90 HydrophobicContact CZ-CB 3.68Å; F87-A90 VanDerWaalsContact O-CB 3.25Å; F87-A90 WeakPolarHBondContact O-CB 3.35Å; F87-A90 PolarHBondContact O-N 3.28Å; A88-A90 PolarHBondContact O-N 3Å; A88-A90 VanDerWaalsContact O-N 3.09Å; A90-C92 PolarHBondContact O-N 3.25Å; A90-F94 HydrophobicContact CB-CE2 4.46Å
91P94Very high95.7Very high39 Ų3927.9 Ų27.925%0.25315%0.15SC..SBendtrans-70.2-19.5179.129.7-37.2000112.3F94 L208 I209 V234P91-F94 HydrophobicContact CG-CE2 4.21Å; P91-F94 HydrophobicContact CG-CZ 4.15Å; P91-L208 HydrophobicContact CB-CD2 4.07Å; P91-L208 HydrophobicContact CG-CD2 3.31Å; P91-I209 HydrophobicContact CB-CG1 4.49Å; P91-I209 HydrophobicContact CG-CG1 4.35Å; P91-V234 HydrophobicContact CG-CG1 4.24Å
92C95Very high95.8Very high15 Ų1533.9 Ų33.910%0.10118%0.182CC..SBendtrans-158.4175.3-175.369.30000111.3A90 F94 P213 T216A90-C92 PolarHBondContact O-N 3.25Å; C92-F94 WeakPolarHBondContact SG-CE2 3.48Å; C92-F94 WeakPolarHBondContact SG-CZ 3.47Å; C92-P213 HydrophobicContact CB-CG 4.02Å; C92-P213 WeakPolarHBondContact CB-O 3.31Å; C92-T216 PolarHBondContact SG-OG1 3.35Å
93V97Very high95.5Very high34 Ų3439.5 Ų39.521%0.20621%0.212CC..EExtended strand (participates in β ladder)trans-77.5127.61651800000109.3F84 R86 R214 C215 T216F84-V93 HydrophobicContact CD1-CG1 3.82Å; F84-V93 HydrophobicContact CE1-CG1 4.3Å; R86-V93 VanDerWaalsContact NH1-CG2 3.32Å; V93-R214 PolarHBondContact N-O 3.01Å; V93-C215 HydrophobicContact CB-CB 4.42Å; V93-C215 CarbonylContact O-C 3.46Å; V93-C215 VanDerWaalsContact O-CA 3.25Å; V93-C215 WeakPolarHBondContact O-CA 3.36Å; V93-C215 PolarHBondContact O-SG 3.05Å; V93-T216 PolarHBondContact O-N 3.45Å
94F98.7Very high95.2Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-97.2144.7174.6-72.4-88.8000111.8F84 I85 F87 A90 P91 C92 L208 T216 V218 I231 V234F84-F94 CarbonylContact C-O 3.31Å; F84-F94 WeakPolarHBondContact CA-O 3.37Å; I85-F94 HydrophobicContact CB-CB 3.99Å; I85-F94 PolarHBondContact N-O 3.43Å; I85-F94 PolarHBondContact O-N 3.15Å; F87-F94 AromaticContact CE1-CD2 3.63Å; F87-F94 HydrophobicContact CE1-CD2 3.63Å; F87-F94 AromaticContact CE1-CE2 3.83Å; F87-F94 HydrophobicContact CE1-CE2 3.83Å; F87-F94 AromaticContact CZ-CD2 4Å; F87-F94 HydrophobicContact CZ-CD2 4Å; F87-F94 AromaticContact CZ-CE2 3.67Å; F87-F94 HydrophobicContact CZ-CE2 3.67Å; A90-F94 HydrophobicContact CB-CE2 4.46Å; P91-F94 HydrophobicContact CG-CE2 4.21Å; P91-F94 HydrophobicContact CG-CZ 4.15Å; C92-F94 WeakPolarHBondContact SG-CE2 3.48Å; C92-F94 WeakPolarHBondContact SG-CZ 3.47Å; F94-L208 HydrophobicContact CE1-CD1 3.71Å; F94-L208 HydrophobicContact CE1-CD2 4.47Å; F94-L208 HydrophobicContact CZ-CD1 3.97Å; F94-L208 HydrophobicContact CZ-CD2 3.91Å; F94-T216 CarbonylContact C-O 3.54Å; F94-T216 WeakPolarHBondContact CA-O 3.25Å; F94-T216 HydrophobicContact CD1-CG2 4.47Å; F94-T216 HydrophobicContact CE1-CG2 4.31Å; F94-V218 HydrophobicContact CD1-CG2 4.02Å; F94-V218 HydrophobicContact CE1-CG2 4.39Å; F94-I231 HydrophobicContact CB-CD1 4.33Å; F94-I231 HydrophobicContact CD1-CD1 4.47Å; F94-I231 HydrophobicContact CD1-CG1 4.1Å; F94-I231 HydrophobicContact CG-CG2 4.42Å; F94-V234 HydrophobicContact CE1-CG2 4.5Å; F94-V234 HydrophobicContact CE2-CG1 4.22Å; F94-V234 HydrophobicContact CZ-CB 4.38Å; F94-V234 HydrophobicContact CZ-CG1 3.78Å; F94-V234 HydrophobicContact CZ-CG2 4.34Å
95I98.8Very high95.1Very high0 Ų040.3 Ų40.30%022%0.219CC..EExtended strand (participates in β ladder)trans-118.7117.6165.1-64173.6000107.7V68 A82 N83 F84 A97 I111 E115 V117 T216 L217 V218V68-I95 HydrophobicContact CG2-CD1 4.38Å; V68-I95 HydrophobicContact CG2-CG1 4.3Å; V68-I95 HydrophobicContact CG2-CG2 3.93Å; A82-I95 HydrophobicContact CB-CG2 3.84Å; N83-I95 CarbonylContact O-C 3.53Å; N83-I95 WeakPolarHBondContact O-CA 3.3Å; F84-I95 HydrophobicContact CD1-CD1 4.36Å; F84-I95 HydrophobicContact CD1-CG1 3.76Å; F84-I95 HydrophobicContact CE1-CD1 3.87Å; F84-I95 HydrophobicContact CE1-CG1 3.8Å; I95-A97 HydrophobicContact CG2-CB 4.35Å; I95-I111 HydrophobicContact CD1-CG2 4.09Å; I95-E115 HydrophobicContact CD1-CB 3.85Å; I95-E115 HydrophobicContact CD1-CG 4.15Å; I95-V117 HydrophobicContact CD1-CG2 4.03Å; I95-T216 PolarHBondContact N-O 3.49Å; I95-L217 HydrophobicContact CB-CB 4.3Å; I95-L217 HydrophobicContact CB-CD1 4.5Å; I95-L217 HydrophobicContact CB-CG 4.2Å; I95-L217 HydrophobicContact CG2-CD1 4.08Å; I95-L217 HydrophobicContact CG2-CG 4.09Å; I95-L217 CarbonylContact O-C 3.51Å; I95-L217 WeakPolarHBondContact O-CA 3.33Å; I95-V218 PolarHBondContact O-N 2.8Å
96A98.6Very high94.9Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-91.4110.1170.400000108.9A82 N83 I85 T227 I231 R259A82-A96 CarbonylContact C-O 3.57Å; A82-A96 VanDerWaalsContact CA-O 3.28Å; A82-A96 WeakPolarHBondContact CA-O 3.32Å; N83-A96 PolarHBondContact N-O 3.12Å; N83-A96 PolarHBondContact O-N 3.28Å; I85-A96 HydrophobicContact CD1-CB 4.09Å; I85-A96 HydrophobicContact CG1-CB 3.87Å; A96-T227 HydrophobicContact CB-CG2 3.66Å; A96-I231 HydrophobicContact CB-CD1 3.87Å; A96-R259 HydrophobicContact CB-CB 4.36Å; A96-R259 HydrophobicContact CB-CG 4.04Å
97A97.9Very high94.7Very high3 Ų335.4 Ų35.43%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-118148.2-173.600000112.8A82 I95 L217 V218 H219 G223A82-A97 HydrophobicContact CB-CB 3.75Å; I95-A97 HydrophobicContact CG2-CB 4.35Å; A97-L217 HydrophobicContact CB-CD1 4.26Å; A97-L217 HydrophobicContact CB-CD2 4.02Å; A97-L217 HydrophobicContact CB-CG 4.14Å; A97-V218 PolarHBondContact N-O 3.37Å; A97-H219 HydrophobicContact CB-CB 4.21Å; A97-H219 WeakPolarHBondContact O-CA 3.41Å; A97-H219 WeakPolarHBondContact O-CB 3.23Å; A97-G223 WeakPolarHBondContact O-CA 3.23Å
98M96Very high94.7Very high18 Ų1834.7 Ų34.79%0.08921%0.205CC..PPolyproline II helixtrans-66.5145.5159.8-171.3-177.675.200109.6K54 R56 H81 S221K54-M98 VanDerWaalsContact O-CE 3.27Å; K54-M98 WeakPolarHBondContact O-CE 3.38Å; R56-M98 HydrophobicContact CB-CE 4.07Å; R56-M98 HydrophobicContact CB-CG 4.26Å; R56-M98 HydrophobicContact CB-SD 3.44Å; R56-M98 WeakPolarHBondContact CB-SD 3.35Å; R56-M98 PolarHBondContact N-SD 2.94Å; H81-M98 HydrophobicContact CB-CB 3.83Å; H81-M98 HydrophobicContact CB-CE 3.9Å; H81-M98 HydrophobicContact CB-SD 4.01Å; H81-M98 WeakPolarHBondContact O-CB 3.42Å; H81-M98 PolarHBondContact O-N 3.22Å; M98-S221 VanDerWaalsContact CG-O 3.26Å; M98-S221 WeakPolarHBondContact CG-O 3.37Å
99A97.1Very high95Very high0 Ų031.1 Ų31.10%018%0.176CC..PPolyproline II helixtrans-64140.8173.400000111.7K133 T134 C220 S221A99-K133 VanDerWaalsContact CB-O 3.23Å; A99-K133 WeakPolarHBondContact CB-O 3.42Å; A99-T134 WeakPolarHBondContact CB-OG1 3.17Å; A99-C220 WeakPolarHBondContact CB-O 3.37Å; A99-C220 PolarHBondContact N-O 3.34Å; A99-S221 PolarHBondContact N-O 2.9Å
100P95.8Very high95.3Very high4 Ų427.2 Ų27.23%0.02616%0.159CC..PPolyproline II helixtrans-63.8144.8174.228-33.6000111.4R56 I105 F108 A135 Y137R56-P100 PolarHBondContact NH2-O 2.76Å; P100-I105 HydrophobicContact CB-CG1 4.25Å; P100-F108 HydrophobicContact CB-CB 3.88Å; P100-F108 HydrophobicContact CB-CD2 4.3Å; P100-F108 HydrophobicContact CB-CG 4.12Å; P100-F108 HydrophobicContact CG-CB 4.24Å; P100-F108 HydrophobicContact CG-CD1 4.32Å; P100-F108 HydrophobicContact CG-CD2 3.98Å; P100-F108 HydrophobicContact CG-CE2 4.4Å; P100-F108 HydrophobicContact CG-CG 3.93Å; P100-A135 WeakPolarHBondContact O-CB 3.09Å; P100-A135 PolarHBondContact O-N 3.13Å; P100-Y137 HydrophobicContact CG-CD1 3.4Å; P100-Y137 VanDerWaalsContact CG-CD1 3.4Å; P100-Y137 HydrophobicContact CG-CE1 4.1Å; P100-Y137 HydrophobicContact CG-CG 3.94Å
101E93.9Very high95.3Very high58 Ų5826.2 Ų26.227%0.27115%0.149SC..PPolyproline II helixtrans-94.6170.4158.9-69.2-177.8173.800109.3R56 D103 S104 I105R56-E101 VanDerWaalsContact CB-OE1 3.32Å; R56-E101 WeakPolarHBondContact CB-OE1 3.49Å; R56-E101 WeakPolarHBondContact CG-OE1 3.28Å; R56-E101 VanDerWaalsContact CZ-CG 3.48Å; R56-E101 IonicContact CZ-OE1 3.7Å; R56-E101 IonicContact NE-OE1 2.86Å; R56-E101 PolarHBondContact NE-OE1 2.9Å; R56-E101 IonicContact NH1-OE1 2.66Å; R56-E101 IonicContact NH2-OE1 2.68Å; E101-D103 WeakPolarHBondContact CB-OD1 3.24Å; E101-D103 PolarHBondContact O-N 3.45Å; E101-D103 VanDerWaalsContact O-N 3.16Å; E101-S104 WeakPolarHBondContact CA-OG 3.37Å; E101-S104 PolarHBondContact N-OG 3.2Å; E101-S104 CarbonylContact O-C 3.55Å; E101-S104 PolarHBondContact O-N 3.34Å; E101-S104 PolarHBondContact O-OG 2.88Å; E101-I105 WeakPolarHBondContact O-CG1 3.44Å; E101-I105 PolarHBondContact O-N 3.27Å; E101-I105 VanDerWaalsContact O-N 3.09Å
102N93.4Very high95.5Very high138 Ų13824.4 Ų24.474%0.73814%0.137SC*.THydrogen-bonded Turntrans-55.7-36.2-175.3-68.7-24.1000112.7S104 A135N102-S104 VanDerWaalsContact C-N 3.34Å; N102-A135 VanDerWaalsContact OD1-CB 3.3Å; N102-A135 WeakPolarHBondContact OD1-CB 3.35Å
103D89.7Confident95.6Very high119 Ų11924.3 Ų24.364%0.63614%0.135SC*.THydrogen-bonded Turntrans-80.2-11.417965.4-11.6000114.3E101E101-D103 WeakPolarHBondContact CB-OD1 3.24Å; E101-D103 PolarHBondContact O-N 3.45Å; E101-D103 VanDerWaalsContact O-N 3.16Å
104S90.6Very high95.6Very high21 Ų2125.9 Ų25.915%0.14714%0.142CC..THydrogen-bonded Turntrans-117.54.3-175.545.20000113.5E101 N102 G106 S107 F108E101-S104 WeakPolarHBondContact CA-OG 3.37Å; E101-S104 PolarHBondContact N-OG 3.2Å; E101-S104 CarbonylContact O-C 3.55Å; E101-S104 PolarHBondContact O-N 3.34Å; E101-S104 PolarHBondContact O-OG 2.88Å; N102-S104 VanDerWaalsContact C-N 3.34Å; S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.44Å; S104-S107 PolarHBondContact O-N 3.4Å; S104-F108 WeakPolarHBondContact O-CB 3.46Å; S104-F108 PolarHBondContact O-N 3Å
105I95.2Very high95.5Very high25 Ų2527.8 Ų27.813%0.12815%0.151CC..Hα-helixtrans-54.2-44.1170.5-67.7178.3000110.7P100 E101 F108 W109 A135 I147P100-I105 HydrophobicContact CB-CG1 4.25Å; E101-I105 WeakPolarHBondContact O-CG1 3.44Å; E101-I105 PolarHBondContact O-N 3.27Å; E101-I105 VanDerWaalsContact O-N 3.09Å; I105-F108 WeakPolarHBondContact O-CB 3.33Å; I105-F108 PolarHBondContact O-N 2.64Å; I105-W109 PolarHBondContact O-N 2.89Å; I105-A135 HydrophobicContact CD1-CB 3.99Å; I105-A135 HydrophobicContact CG1-CB 4.19Å; I105-I147 HydrophobicContact CG2-CD1 3.78Å; I105-I147 HydrophobicContact CG2-CG1 4.11Å; I105-I147 HydrophobicContact CG2-CG2 4.05Å
106G94.2Very high95.4Very high10 Ų1033.7 Ų33.710%0.10318%0.177CC..Hα-helixtrans-59.4-49178.900000113S104 F108 W109 T110S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.44Å; G106-F108 PolarHBondContact O-N 3Å; G106-W109 PolarHBondContact O-N 3.3Å; G106-T110 WeakPolarHBondContact O-CB 3.31Å; G106-T110 PolarHBondContact O-N 3.11Å; G106-T110 PolarHBondContact O-OG1 3.27Å
107S92.4Very high95.4Very high32 Ų3233.8 Ų33.822%0.22418%0.177CC..Hα-helixtrans-62-41.7175.7-67.30000112.2S104 T110 I111S104-S107 PolarHBondContact O-N 3.4Å; S107-T110 PolarHBondContact O-N 2.97Å; S107-I111 WeakPolarHBondContact O-CG1 3.19Å; S107-I111 PolarHBondContact O-N 2.79Å
108F96.1Very high95.4Very high10 Ų1035.8 Ų35.84%0.04419%0.187CC..Hα-helixtrans-59.7-49.5177.5178-89000111.9P100 S104 I105 G106 T110 I111 V112 I120 Y137 L217P100-F108 HydrophobicContact CB-CB 3.88Å; P100-F108 HydrophobicContact CB-CD2 4.3Å; P100-F108 HydrophobicContact CB-CG 4.12Å; P100-F108 HydrophobicContact CG-CB 4.24Å; P100-F108 HydrophobicContact CG-CD1 4.32Å; P100-F108 HydrophobicContact CG-CD2 3.98Å; P100-F108 HydrophobicContact CG-CE2 4.4Å; P100-F108 HydrophobicContact CG-CG 3.93Å; S104-F108 WeakPolarHBondContact O-CB 3.46Å; S104-F108 PolarHBondContact O-N 3Å; I105-F108 WeakPolarHBondContact O-CB 3.33Å; I105-F108 PolarHBondContact O-N 2.64Å; G106-F108 PolarHBondContact O-N 3Å; F108-T110 VanDerWaalsContact C-N 3.3Å; F108-T110 PolarHBondContact O-N 2.9Å; F108-I111 WeakPolarHBondContact O-CB 3.28Å; F108-I111 PolarHBondContact O-N 2.62Å; F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.97Å; F108-V112 HydrophobicContact CZ-CG2 4.42Å; F108-V112 WeakPolarHBondContact O-CG2 3.44Å; F108-V112 PolarHBondContact O-N 3.31Å; F108-V112 VanDerWaalsContact O-N 3.07Å; F108-I120 HydrophobicContact CE1-CD1 4.37Å; F108-I120 HydrophobicContact CZ-CG2 4.25Å; F108-Y137 HydrophobicContact CD1-CD2 4.08Å; F108-Y137 HydrophobicContact CD1-CE2 4.42Å; F108-Y137 HydrophobicContact CD1-CG 4.28Å; F108-Y137 HydrophobicContact CE1-CD1 4.4Å; F108-Y137 AromaticContact CE1-CD2 3.56Å; F108-Y137 HydrophobicContact CE1-CD2 3.56Å; F108-Y137 HydrophobicContact CE1-CE1 4.28Å; F108-Y137 AromaticContact CE1-CE2 3.46Å; F108-Y137 HydrophobicContact CE1-CE2 3.46Å; F108-Y137 VanDerWaalsContact CE1-CE2 3.46Å; F108-Y137 HydrophobicContact CE1-CG 4.05Å; F108-Y137 AromaticContact CE1-CZ 3.83Å; F108-Y137 HydrophobicContact CZ-CD2 4.34Å; F108-Y137 HydrophobicContact CZ-CE1 4.17Å; F108-Y137 AromaticContact CZ-CE2 3.9Å; F108-Y137 HydrophobicContact CZ-CE2 3.9Å; F108-Y137 AromaticContact CZ-CZ 3.79Å; F108-L217 HydrophobicContact CE2-CD1 4.12Å; F108-L217 HydrophobicContact CE2-CD2 3.62Å; F108-L217 HydrophobicContact CZ-CD1 4.37Å; F108-L217 HydrophobicContact CZ-CD2 3.71Å
109W97.4Very high95.5Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-68.5-30.7178.2-86104.5000113.3I105 G106 I111 V112 W113 I120 Y137 I147 L150 V152 L168 V170 I181I105-W109 PolarHBondContact O-N 2.89Å; G106-W109 PolarHBondContact O-N 3.3Å; W109-I111 VanDerWaalsContact C-N 3.34Å; W109-V112 HydrophobicContact CE3-CB 4.07Å; W109-V112 HydrophobicContact CE3-CG1 3.74Å; W109-V112 HydrophobicContact CZ3-CB 4.46Å; W109-V112 HydrophobicContact CZ3-CG1 3.69Å; W109-V112 PolarHBondContact O-N 3.18Å; W109-W113 WeakPolarHBondContact O-CB 3.27Å; W109-W113 PolarHBondContact O-N 3.2Å; W109-I120 HydrophobicContact CH2-CD1 4.33Å; W109-I120 HydrophobicContact CZ3-CD1 4.47Å; W109-Y137 HydrophobicContact CZ2-CD2 4.05Å; W109-Y137 AromaticContact NE1-CD2 3.81Å; W109-Y137 PolarHBondContact NE1-O 3.45Å; W109-I147 HydrophobicContact CB-CG2 3.88Å; W109-I147 VanDerWaalsContact CD1-CD1 3.49Å; W109-I147 HydrophobicContact CG-CD1 4.18Å; W109-I147 HydrophobicContact CG-CG2 4.14Å; W109-L150 HydrophobicContact CB-CD1 4.11Å; W109-V152 HydrophobicContact CD2-CG2 4Å; W109-V152 HydrophobicContact CE3-CG2 4.08Å; W109-V152 HydrophobicContact CH2-CG1 3.68Å; W109-V152 HydrophobicContact CH2-CG2 4Å; W109-V152 HydrophobicContact CZ2-CB 4.38Å; W109-V152 HydrophobicContact CZ2-CG1 3.65Å; W109-V152 HydrophobicContact CZ2-CG2 3.91Å; W109-V152 HydrophobicContact CZ3-CG1 4.47Å; W109-V152 HydrophobicContact CZ3-CG2 4.09Å; W109-L168 HydrophobicContact CH2-CD1 3.69Å; W109-L168 HydrophobicContact CZ2-CD1 4.09Å; W109-V170 HydrophobicContact CH2-CG2 4.05Å; W109-V170 HydrophobicContact CZ3-CG1 4.37Å; W109-V170 HydrophobicContact CZ3-CG2 3.68Å; W109-I181 HydrophobicContact CZ3-CD1 4.19Å
110T95.1Very high95.6Very high16 Ų1635 Ų3510%0.09818%0.184CC..Hα-helixtrans-67.3-36.6175.3-57.60000112.1L70 H72 G106 S107 F108 N114L70-T110 HydrophobicContact CD2-CG2 3.94Å; H72-T110 WeakPolarHBondContact CE1-CG2 3.49Å; G106-T110 WeakPolarHBondContact O-CB 3.31Å; G106-T110 PolarHBondContact O-N 3.11Å; G106-T110 PolarHBondContact O-OG1 3.27Å; S107-T110 PolarHBondContact O-N 2.97Å; F108-T110 VanDerWaalsContact C-N 3.3Å; F108-T110 PolarHBondContact O-N 2.9Å; T110-N114 VanDerWaalsContact CG2-ND2 3.29Å; T110-N114 WeakPolarHBondContact CG2-ND2 3.24Å; T110-N114 VanDerWaalsContact O-CB 3.27Å; T110-N114 WeakPolarHBondContact O-CB 3.42Å; T110-N114 PolarHBondContact O-N 3.42Å; T110-N114 PolarHBondContact O-ND2 3.18Å
111I95.7Very high95.7Very high9 Ų934.9 Ų34.95%0.04618%0.183CC..Hα-helixtrans-63.4-51.4170.2-65.3164.2000110.3V68 L70 T80 A82 I95 S107 F108 W109 W113 N114 E115 L217V68-I111 HydrophobicContact CG1-CG1 4.17Å; V68-I111 HydrophobicContact CG1-CG2 3.7Å; L70-I111 HydrophobicContact CD2-CG1 4Å; T80-I111 HydrophobicContact CG2-CD1 3.42Å; T80-I111 VanDerWaalsContact CG2-CD1 3.42Å; T80-I111 HydrophobicContact CG2-CG1 3.82Å; T80-I111 WeakPolarHBondContact OG1-CD1 3.37Å; A82-I111 HydrophobicContact CB-CD1 4.47Å; I95-I111 HydrophobicContact CD1-CG2 4.09Å; S107-I111 WeakPolarHBondContact O-CG1 3.19Å; S107-I111 PolarHBondContact O-N 2.79Å; F108-I111 WeakPolarHBondContact O-CB 3.28Å; F108-I111 PolarHBondContact O-N 2.62Å; W109-I111 VanDerWaalsContact C-N 3.34Å; I111-W113 PolarHBondContact O-N 3.04Å; I111-N114 PolarHBondContact O-N 2.72Å; I111-E115 HydrophobicContact CG2-CG 4.16Å; I111-E115 WeakPolarHBondContact O-CB 3.49Å; I111-E115 PolarHBondContact O-N 2.92Å; I111-L217 HydrophobicContact CG2-CD1 4.37Å
112V97.9Very high95.9Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-51.3-46.6179165.80000110.3F108 W109 K116 V117 I120 I181 L217F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.97Å; F108-V112 HydrophobicContact CZ-CG2 4.42Å; F108-V112 WeakPolarHBondContact O-CG2 3.44Å; F108-V112 PolarHBondContact O-N 3.31Å; F108-V112 VanDerWaalsContact O-N 3.07Å; W109-V112 HydrophobicContact CE3-CB 4.07Å; W109-V112 HydrophobicContact CE3-CG1 3.74Å; W109-V112 HydrophobicContact CZ3-CB 4.46Å; W109-V112 HydrophobicContact CZ3-CG1 3.69Å; W109-V112 PolarHBondContact O-N 3.18Å; V112-K116 PolarHBondContact O-N 2.8Å; V112-V117 HydrophobicContact CB-CB 4.34Å; V112-V117 HydrophobicContact CG1-CB 4.04Å; V112-V117 HydrophobicContact CG1-CG1 4.39Å; V112-V117 PolarHBondContact O-N 3.24Å; V112-I120 HydrophobicContact CG1-CD1 4.03Å; V112-I120 HydrophobicContact CG2-CD1 3.83Å; V112-I120 HydrophobicContact CG2-CG1 4.32Å; V112-I181 HydrophobicContact CG1-CD1 3.45Å; V112-I181 VanDerWaalsContact CG1-CD1 3.45Å; V112-L217 HydrophobicContact CG2-CD1 3.97Å
113W97.3Very high96.2Very high14 Ų1425.5 Ų25.55%0.05314%0.135CC..Hα-helixtrans-66.6-56.2178.6-170.2-92.3000112W109 I111 E115 K116 L150 V170 Q172 E177 R179W109-W113 WeakPolarHBondContact O-CB 3.27Å; W109-W113 PolarHBondContact O-N 3.2Å; I111-W113 PolarHBondContact O-N 3.04Å; W113-E115 PolarHBondContact O-N 3.07Å; W113-K116 PolarHBondContact O-N 3.15Å; W113-L150 HydrophobicContact CB-CD1 3.75Å; W113-L150 HydrophobicContact CB-CD2 4.34Å; W113-L150 HydrophobicContact CD2-CD1 4.25Å; W113-L150 HydrophobicContact CD2-CD2 3.34Å; W113-L150 HydrophobicContact CD2-CG 4.45Å; W113-L150 HydrophobicContact CE3-CD1 4.28Å; W113-L150 HydrophobicContact CE3-CD2 3.55Å; W113-L150 HydrophobicContact CG-CD1 4.07Å; W113-L150 HydrophobicContact CG-CD2 3.73Å; W113-L150 HydrophobicContact CZ3-CD2 4.27Å; W113-V170 HydrophobicContact CE3-CB 4.37Å; W113-V170 HydrophobicContact CE3-CG1 3.6Å; W113-V170 HydrophobicContact CZ3-CB 4.06Å; W113-V170 HydrophobicContact CZ3-CG1 3.67Å; W113-V170 WeakPolarHBondContact CZ3-O 3.39Å; W113-Q172 HydrophobicContact CD2-CB 4.43Å; W113-Q172 HydrophobicContact CH2-CB 3.84Å; W113-Q172 HydrophobicContact CZ2-CB 3.34Å; W113-Q172 HydrophobicContact CZ2-CG 4.32Å; W113-Q172 VanDerWaalsContact NE1-OE1 3.13Å; W113-E177 HydrophobicContact CH2-CB 4.2Å; W113-E177 HydrophobicContact CH2-CG 4.05Å; W113-E177 HydrophobicContact CZ2-CB 3.98Å; W113-E177 HydrophobicContact CZ2-CG 4Å; W113-R179 VanDerWaalsContact C-NH2 3.27Å; W113-R179 HydrophobicContact CH2-CG 4.33Å; W113-R179 HydrophobicContact CZ3-CB 4.33Å; W113-R179 HydrophobicContact CZ3-CG 4.46Å; W113-R179 VanDerWaalsContact O-CZ 3.3Å; W113-R179 PolarHBondContact O-NH1 3.01Å; W113-R179 PolarHBondContact O-NH2 3.27Å
114N95.4Very high96.6Very high67 Ų6719.9 Ų19.936%0.35811%0.105SC..Hα-helixtrans-67.1-38.3-171.2-70.7-23.2000113.1T110 I111 K116T110-N114 VanDerWaalsContact CG2-ND2 3.29Å; T110-N114 WeakPolarHBondContact CG2-ND2 3.24Å; T110-N114 VanDerWaalsContact O-CB 3.27Å; T110-N114 WeakPolarHBondContact O-CB 3.42Å; T110-N114 PolarHBondContact O-N 3.42Å; T110-N114 PolarHBondContact O-ND2 3.18Å; I111-N114 PolarHBondContact O-N 2.72Å; N114-K116 PolarHBondContact O-N 3.28Å
115E96.4Very high96.9Very high39 Ų3921.3 Ų21.318%0.18211%0.11CC..THydrogen-bonded Turntrans-85.75.9-179.2-58.1-56.2152.400112.9V68 R71 F84 I95 I111 W113 V117V68-E115 HydrophobicContact CG1-CG 3.89Å; R71-E115 IonicContact NE-OE1 3.51Å; F84-E115 HydrophobicContact CE1-CG 4.37Å; F84-E115 HydrophobicContact CZ-CG 4.05Å; F84-E115 WeakPolarHBondContact CZ-OE2 3.45Å; I95-E115 HydrophobicContact CD1-CB 3.85Å; I95-E115 HydrophobicContact CD1-CG 4.15Å; I111-E115 HydrophobicContact CG2-CG 4.16Å; I111-E115 WeakPolarHBondContact O-CB 3.49Å; I111-E115 PolarHBondContact O-N 2.92Å; W113-E115 PolarHBondContact O-N 3.07Å; E115-V117 VanDerWaalsContact C-N 3.29Å; E115-V117 HydrophobicContact CB-CG2 4.49Å; E115-V117 PolarHBondContact O-N 3.42Å
116K96.8Very high97Very high124 Ų12422.5 Ų22.554%0.53912%0.117SC..THydrogen-bonded Turntrans54.844.7177.5-46.6-176.4178.9179.90113.3V112 W113 N114 D118V112-K116 PolarHBondContact O-N 2.8Å; W113-K116 PolarHBondContact O-N 3.15Å; N114-K116 PolarHBondContact O-N 3.28Å; K116-D118 PolarHBondContact O-N 3.18Å
117V98.6Very high97.1Very high2 Ų225.7 Ų25.71%0.01213%0.134CC..  trans-64.3124.4171.3176.60000108.7I95 V112 E115 M119 I120 I181 C215 L217I95-V117 HydrophobicContact CD1-CG2 4.03Å; V112-V117 HydrophobicContact CB-CB 4.34Å; V112-V117 HydrophobicContact CG1-CB 4.04Å; V112-V117 HydrophobicContact CG1-CG1 4.39Å; V112-V117 PolarHBondContact O-N 3.24Å; E115-V117 VanDerWaalsContact C-N 3.29Å; E115-V117 HydrophobicContact CB-CG2 4.49Å; E115-V117 PolarHBondContact O-N 3.42Å; V117-M119 WeakPolarHBondContact CG1-O 3.36Å; V117-I120 HydrophobicContact CG1-CG1 3.8Å; V117-I181 WeakPolarHBondContact O-CD1 3.36Å; V117-I181 WeakPolarHBondContact O-CG1 3.42Å; V117-C215 WeakPolarHBondContact CA-O 3.38Å; V117-C215 HydrophobicContact CG2-CB 4.4Å; V117-L217 HydrophobicContact CG1-CB 3.81Å; V117-L217 HydrophobicContact CG2-CB 4.11Å
118D97.7Very high97.3Very high45 Ų4525.5 Ų25.524%0.24113%0.13CC..  trans-113-9175.347.413.9000112.3K116 I181 E182 P213 R214 C215K116-D118 PolarHBondContact O-N 3.18Å; D118-I181 WeakPolarHBondContact O-CA 3.27Å; D118-E182 PolarHBondContact O-N 2.99Å; D118-P213 WeakPolarHBondContact OD1-CA 3.44Å; D118-P213 WeakPolarHBondContact OD1-CB 3.48Å; D118-R214 VanDerWaalsContact CG-N 3.34Å; D118-R214 PolarHBondContact OD1-N 3.22Å; D118-R214 VanDerWaalsContact OD1-N 3.15Å; D118-R214 WeakPolarHBondContact OD2-CB 3.1Å; D118-R214 PolarHBondContact OD2-N 2.98Å; D118-C215 PolarHBondContact N-O 2.86Å; D118-C215 VanDerWaalsContact N-O 3.11Å; D118-C215 PolarHBondContact OD1-N 3.03Å; D118-C215 VanDerWaalsContact OD1-N 3.14Å
119M98.7Very high97.2Very high3 Ų334.3 Ų34.32%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-134.8132.4168.6-174.2177.7-70.700112.4V117 V121 E182 I184 L208 S211 P213 C215 T216 L217V117-M119 WeakPolarHBondContact CG1-O 3.36Å; M119-V121 HydrophobicContact CG-CG2 4.2Å; M119-V121 HydrophobicContact SD-CG2 4.23Å; M119-E182 CarbonylContact C-O 3.6Å; M119-E182 VanDerWaalsContact CA-O 3.23Å; M119-E182 WeakPolarHBondContact CA-O 3.3Å; M119-I184 HydrophobicContact CE-CD1 4.27Å; M119-I184 HydrophobicContact CG-CD1 4.44Å; M119-I184 HydrophobicContact SD-CD1 3.93Å; M119-L208 HydrophobicContact SD-CB 4.15Å; M119-L208 HydrophobicContact SD-CD1 4.21Å; M119-L208 HydrophobicContact SD-CG 4.05Å; M119-S211 WeakPolarHBondContact CE-OG 3.37Å; M119-P213 HydrophobicContact CB-CB 4.21Å; M119-P213 HydrophobicContact CB-CG 4.45Å; M119-C215 PolarHBondContact N-O 2.68Å; M119-T216 HydrophobicContact CB-CG2 4.08Å; M119-T216 HydrophobicContact CG-CG2 4.05Å; M119-T216 CarbonylContact O-C 3.56Å; M119-T216 VanDerWaalsContact O-CA 3.28Å; M119-T216 WeakPolarHBondContact O-CA 2.94Å; M119-T216 HydrophobicContact SD-CG2 4.26Å; M119-L217 PolarHBondContact O-N 2.89Å
120I98.9Very high97Very high0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans-116.7125.1172.2-59.1169.5000108.8F108 W109 V112 V117 Y137 I181 E182 H183 I184 L217F108-I120 HydrophobicContact CE1-CD1 4.37Å; F108-I120 HydrophobicContact CZ-CG2 4.25Å; W109-I120 HydrophobicContact CH2-CD1 4.33Å; W109-I120 HydrophobicContact CZ3-CD1 4.47Å; V112-I120 HydrophobicContact CG1-CD1 4.03Å; V112-I120 HydrophobicContact CG2-CD1 3.83Å; V112-I120 HydrophobicContact CG2-CG1 4.32Å; V117-I120 HydrophobicContact CG1-CG1 3.8Å; I120-Y137 HydrophobicContact CG2-CE2 4.46Å; I120-Y137 VanDerWaalsContact CG2-OH 3.32Å; I120-Y137 WeakPolarHBondContact CG2-OH 3.27Å; I120-I181 HydrophobicContact CD1-CG2 3.98Å; I120-I181 HydrophobicContact CG1-CG2 3.98Å; I120-E182 PolarHBondContact N-O 3.48Å; I120-H183 WeakPolarHBondContact O-CA 3.44Å; I120-I184 PolarHBondContact O-N 3.21Å; I120-L217 CarbonylContact C-O 3.54Å; I120-L217 VanDerWaalsContact CA-O 3.29Å; I120-L217 WeakPolarHBondContact CA-O 3.27Å; I120-L217 HydrophobicContact CG2-CD2 4.16Å
121V98.7Very high97Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-112108176.2-175.70000109.7M119 L123 I184 I204 T216 L217 V218 H219 F230M119-V121 HydrophobicContact CG-CG2 4.2Å; M119-V121 HydrophobicContact SD-CG2 4.23Å; V121-L123 HydrophobicContact CG1-CD2 3.66Å; V121-L123 HydrophobicContact CG1-CG 4.02Å; V121-I184 HydrophobicContact CG1-CG2 4.41Å; V121-I184 HydrophobicContact CG2-CB 4.44Å; V121-I204 HydrophobicContact CG1-CG2 4.42Å; V121-T216 HydrophobicContact CG2-CG2 3.9Å; V121-L217 PolarHBondContact N-O 3.37Å; V121-V218 HydrophobicContact CB-CB 4.49Å; V121-V218 HydrophobicContact CB-CG1 4.22Å; V121-V218 HydrophobicContact CB-CG2 4.21Å; V121-V218 HydrophobicContact CG1-CG1 4.41Å; V121-V218 HydrophobicContact CG2-CG2 4.49Å; V121-V218 WeakPolarHBondContact O-CA 3.44Å; V121-H219 PolarHBondContact O-N 3.04Å; V121-F230 HydrophobicContact CG1-CE2 4.48Å; V121-F230 HydrophobicContact CG1-CZ 4.31Å
122C98.8Very high97Very high0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-94.8113.2175.3-179.40000110.1T124 I184 I185 Y186 H219C122-T124 PolarHBondContact SG-O 2.88Å; C122-T124 VanDerWaalsContact SG-O 3.33Å; C122-I184 PolarHBondContact N-O 2.95Å; C122-I185 HydrophobicContact CB-CB 4.49Å; C122-I185 HydrophobicContact CB-CG1 4.23Å; C122-I185 HydrophobicContact CB-CG2 4.32Å; C122-I185 WeakPolarHBondContact O-CA 3.42Å; C122-Y186 PolarHBondContact O-N 3Å; C122-H219 WeakPolarHBondContact CB-NE2 3.32Å; C122-H219 PolarHBondContact SG-CE1 3.01Å
123L98.6Very high97Very high0 Ų048.1 Ų48.10%026%0.255CS..  trans-102.728.1-175.7-59.2173.7000112.8V121 Y186 W189 V218 H219 C220 R226 F230V121-L123 HydrophobicContact CG1-CD2 3.66Å; V121-L123 HydrophobicContact CG1-CG 4.02Å; L123-Y186 CarbonylContact C-O 3.52Å; L123-Y186 VanDerWaalsContact C-O 3.31Å; L123-Y186 WeakPolarHBondContact CA-O 2.88Å; L123-Y186 HydrophobicContact CD2-CD1 4.38Å; L123-W189 HydrophobicContact CD1-CZ3 4.36Å; L123-W189 HydrophobicContact CD2-CE3 4.25Å; L123-W189 HydrophobicContact CD2-CZ3 4.36Å; L123-V218 HydrophobicContact CD1-CG1 3.65Å; L123-V218 HydrophobicContact CG-CG1 4.28Å; L123-H219 PolarHBondContact N-O 3.45Å; L123-C220 HydrophobicContact CB-CB 4.18Å; L123-R226 HydrophobicContact CB-CB 4.11Å; L123-R226 HydrophobicContact CD1-CB 4.18Å; L123-R226 WeakPolarHBondContact O-CD 3.39Å; L123-R226 PolarHBondContact O-NH1 3.43Å; L123-F230 HydrophobicContact CD1-CB 3.57Å; L123-F230 HydrophobicContact CD1-CD2 4.4Å; L123-F230 HydrophobicContact CD1-CG 3.99Å; L123-F230 HydrophobicContact CD2-CD2 4.3Å
124T97.8Very high97Very high1 Ų147.6 Ų47.61%0.00625%0.253CS..SBendtrans-146.8152-176.8-173.50000110.1C122 E128 K133 T134 R226C122-T124 PolarHBondContact SG-O 2.88Å; C122-T124 VanDerWaalsContact SG-O 3.33Å; T124-E128 PolarHBondContact OG1-OE1 2.93Å; T124-K133 HydrophobicContact CG2-CB 4.26Å; T124-K133 WeakPolarHBondContact OG1-CB 3.33Å; T124-K133 WeakPolarHBondContact OG1-CG 3.45Å; T124-T134 HydrophobicContact CG2-CG2 3.87Å; T124-R226 PolarHBondContact OG1-NH1 3.25Å
125D96.6Very high97.1Very high50 Ų5044.7 Ų44.727%0.26724%0.238SC..  trans-78170.8162.2-149.8-14.3000110.5V127 E128 K133 K187D125-V127 VanDerWaalsContact C-N 3.33Å; D125-E128 HydrophobicContact CB-CG 4.12Å; D125-E128 PolarHBondContact N-OE1 2.73Å; D125-E128 VanDerWaalsContact N-OE1 3.1Å; D125-K133 WeakPolarHBondContact O-CB 3.09Å; D125-K187 HydrophobicContact CB-CB 4.32Å; D125-K187 HydrophobicContact CB-CD 4.32Å; D125-K187 HydrophobicContact CB-CG 4.29Å; D125-K187 VanDerWaalsContact OD1-CE 3.28Å; D125-K187 WeakPolarHBondContact OD1-CE 3.45Å; D125-K187 IonicContact OD1-NZ 3.6Å; D125-K187 PolarHBondContact OD1-NZ 3.4Å; D125-K187 IonicContact OD2-NZ 3.11Å
126L97.5Very high97.1Very high51 Ų5145.7 Ų45.727%0.26724%0.242SC..SBendtrans-60.8-43.9174.7-62.6-178.2000111.2K133 T134 K136 W138L126-K133 PolarHBondContact O-N 2.88Å; L126-T134 HydrophobicContact CD2-CG2 3.78Å; L126-T134 PolarHBondContact O-N 3.34Å; L126-K136 HydrophobicContact CD1-CB 4.1Å; L126-K136 HydrophobicContact CD1-CG 4.47Å; L126-K136 HydrophobicContact CD2-CB 3.95Å; L126-W138 HydrophobicContact CD2-CH2 3.44Å; L126-W138 VanDerWaalsContact CD2-CH2 3.44Å; L126-W138 HydrophobicContact CD2-CZ2 3.97Å; L126-W138 HydrophobicContact CD2-CZ3 4.18Å; L126-W138 HydrophobicContact CG-CH2 4.4Å
127V97.2Very high97.2Very high77 Ų7739.8 Ų39.847%0.46722%0.216SC..EExtended strand (participates in β ladder)trans-134.1131.5-179-179.40000109.1D125 K131D125-V127 VanDerWaalsContact C-N 3.33Å; V127-K131 WeakPolarHBondContact CA-O 3.48Å
128E95.9Very high97.1Very high28 Ų2840.1 Ų40.113%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-132.4128.1176.3-65.2174.2-175.700109.5T124 D125 G130 K131 K133 R226T124-E128 PolarHBondContact OG1-OE1 2.93Å; D125-E128 HydrophobicContact CB-CG 4.12Å; D125-E128 PolarHBondContact N-OE1 2.73Å; D125-E128 VanDerWaalsContact N-OE1 3.1Å; E128-G130 PolarHBondContact O-N 3.15Å; E128-K131 PolarHBondContact N-O 2.98Å; E128-K131 PolarHBondContact O-N 2.8Å; E128-K133 HydrophobicContact CB-CD 4.46Å; E128-K133 HydrophobicContact CB-CG 3.86Å; E128-K133 HydrophobicContact CG-CG 3.81Å; E128-K133 WeakPolarHBondContact OE2-CE 3.22Å; E128-R226 IonicContact OE1-CZ 3.79Å; E128-R226 IonicContact OE1-NH1 2.73Å; E128-R226 PolarHBondContact OE1-NH1 3.24Å; E128-R226 IonicContact OE1-NH2 3.43Å; E128-R226 IonicContact OE2-CZ 3.63Å; E128-R226 IonicContact OE2-NH1 2.8Å; E128-R226 PolarHBondContact OE2-NH1 2.78Å; E128-R226 IonicContact OE2-NH2 3.62Å; E128-R226 PolarHBondContact OE2-NH2 2.88Å
129K94.2Very high97.1Very high194 Ų19438 Ų3884%0.84321%0.206SC*.THydrogen-bonded Turntrans49.942.6-177.4-59.7179.6178.8178.20112.4K131K129-K131 PolarHBondContact O-N 3.12Å
130G94.1Very high96.9Very high74 Ų7440.8 Ų40.876%0.76322%0.221SC*.THydrogen-bonded Turntrans73.33.4-179.700000115.5E128E128-G130 PolarHBondContact O-N 3.15Å
131K94.7Very high96.4Very high147 Ų14749 Ų4964%0.63925%0.253SS*.EExtended strand (participates in β ladder)trans-107.5127.9178.4-64.3-175.1178.9-176.10110.8V127 E128 K129 K133V127-K131 WeakPolarHBondContact CA-O 3.48Å; E128-K131 PolarHBondContact N-O 2.98Å; E128-K131 PolarHBondContact O-N 2.8Å; K129-K131 PolarHBondContact O-N 3.12Å; K131-K133 PolarHBondContact O-N 3.42Å
132T96.1Very high95.9Very high86 Ų8656.4 Ų56.453%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-61.2125.9171.3-54.80000109.9R56R56-T132 PolarHBondContact NH1-O 3.2Å
133K96.7Very high95.7Very high9 Ų960.1 Ų60.14%0.03931%0.31CS..  trans-105.9-33.8179.7-62.8-53.8-162.7168.40112.9R56 A99 T124 D125 L126 E128 K131 D191 S221R56-K133 VanDerWaalsContact CZ-O 3.27Å; R56-K133 PolarHBondContact NH1-O 3.37Å; R56-K133 PolarHBondContact NH2-O 3.47Å; A99-K133 VanDerWaalsContact CB-O 3.23Å; A99-K133 WeakPolarHBondContact CB-O 3.42Å; T124-K133 HydrophobicContact CG2-CB 4.26Å; T124-K133 WeakPolarHBondContact OG1-CB 3.33Å; T124-K133 WeakPolarHBondContact OG1-CG 3.45Å; D125-K133 WeakPolarHBondContact O-CB 3.09Å; L126-K133 PolarHBondContact O-N 2.88Å; E128-K133 HydrophobicContact CB-CD 4.46Å; E128-K133 HydrophobicContact CB-CG 3.86Å; E128-K133 HydrophobicContact CG-CG 3.81Å; E128-K133 WeakPolarHBondContact OE2-CE 3.22Å; K131-K133 PolarHBondContact O-N 3.42Å; K133-D191 IonicContact NZ-OD2 3.89Å; K133-D191 PolarHBondContact NZ-OD2 3.35Å; K133-S221 WeakPolarHBondContact CA-OG 3.26Å; K133-S221 WeakPolarHBondContact O-CA 3.4Å; K133-S221 WeakPolarHBondContact O-CB 3.46Å; K133-S221 PolarHBondContact O-OG 2.85Å
134T97.5Very high95.5Very high2 Ų263.3 Ų63.31%0.01233%0.325CS..  trans-151.1147.6174.6-173.80000109.7A99 T124 L126A99-T134 WeakPolarHBondContact CB-OG1 3.17Å; T124-T134 HydrophobicContact CG2-CG2 3.87Å; L126-T134 HydrophobicContact CD2-CG2 3.78Å; L126-T134 PolarHBondContact O-N 3.34Å
135A97Very high95.5Very high6 Ų665.5 Ų65.55%0.0534%0.335CS..  trans-69154.7162.200000109.9P100 N102 I105 Y137P100-A135 WeakPolarHBondContact O-CB 3.09Å; P100-A135 PolarHBondContact O-N 3.13Å; N102-A135 VanDerWaalsContact OD1-CB 3.3Å; N102-A135 WeakPolarHBondContact OD1-CB 3.35Å; I105-A135 HydrophobicContact CD1-CB 3.99Å; I105-A135 HydrophobicContact CG1-CB 4.19Å; A135-Y137 WeakPolarHBondContact O-CD1 3.38Å; A135-Y137 PolarHBondContact O-N 3.37Å; A135-Y137 VanDerWaalsContact O-N 3.15Å
136K97.3Very high95.5Very high61 Ų6168.8 Ų68.827%0.26535%0.348SS..  trans-76.897.3170.4-172.3-165.4-179.9-161.70107.6L126 W138 D140 E143L126-K136 HydrophobicContact CD1-CB 4.1Å; L126-K136 HydrophobicContact CD1-CG 4.47Å; L126-K136 HydrophobicContact CD2-CB 3.95Å; K136-W138 VanDerWaalsContact CE-O 3.29Å; K136-W138 WeakPolarHBondContact CE-O 3.42Å; K136-W138 HydrophobicContact CG-CD2 4.28Å; K136-W138 HydrophobicContact CG-CZ2 4.32Å; K136-D140 WeakPolarHBondContact CE-OD2 3.23Å; K136-D140 IonicContact NZ-OD2 3.51Å; K136-D140 PolarHBondContact NZ-OD2 2.93Å; K136-E143 IonicContact NZ-OE1 3.58Å; K136-E143 IonicContact NZ-OE2 3.44Å; K136-E143 PolarHBondContact NZ-OE2 3.24Å
137Y97.8Very high95.4Very high0 Ų067.1 Ų67.10%034%0.34CS..  trans-95.12.6-178.162.6-96.6000113.4P100 F108 W109 I120 A135 H183 H219P100-Y137 HydrophobicContact CG-CD1 3.4Å; P100-Y137 VanDerWaalsContact CG-CD1 3.4Å; P100-Y137 HydrophobicContact CG-CE1 4.1Å; P100-Y137 HydrophobicContact CG-CG 3.94Å; F108-Y137 HydrophobicContact CD1-CD2 4.08Å; F108-Y137 HydrophobicContact CD1-CE2 4.42Å; F108-Y137 HydrophobicContact CD1-CG 4.28Å; F108-Y137 HydrophobicContact CE1-CD1 4.4Å; F108-Y137 AromaticContact CE1-CD2 3.56Å; F108-Y137 HydrophobicContact CE1-CD2 3.56Å; F108-Y137 HydrophobicContact CE1-CE1 4.28Å; F108-Y137 AromaticContact CE1-CE2 3.46Å; F108-Y137 HydrophobicContact CE1-CE2 3.46Å; F108-Y137 VanDerWaalsContact CE1-CE2 3.46Å; F108-Y137 HydrophobicContact CE1-CG 4.05Å; F108-Y137 AromaticContact CE1-CZ 3.83Å; F108-Y137 HydrophobicContact CZ-CD2 4.34Å; F108-Y137 HydrophobicContact CZ-CE1 4.17Å; F108-Y137 AromaticContact CZ-CE2 3.9Å; F108-Y137 HydrophobicContact CZ-CE2 3.9Å; F108-Y137 AromaticContact CZ-CZ 3.79Å; W109-Y137 HydrophobicContact CZ2-CD2 4.05Å; W109-Y137 AromaticContact NE1-CD2 3.81Å; W109-Y137 PolarHBondContact NE1-O 3.45Å; I120-Y137 HydrophobicContact CG2-CE2 4.46Å; I120-Y137 VanDerWaalsContact CG2-OH 3.32Å; I120-Y137 WeakPolarHBondContact CG2-OH 3.27Å; A135-Y137 WeakPolarHBondContact O-CD1 3.38Å; A135-Y137 PolarHBondContact O-N 3.37Å; A135-Y137 VanDerWaalsContact O-N 3.15Å; Y137-H183 AromaticContact CE2-NE2 3.72Å; Y137-H183 AromaticContact CZ-NE2 3.51Å; Y137-H183 PolarHBondContact OH-NE2 3.25Å; Y137-H219 AromaticContact CE1-CE1 3.67Å; Y137-H219 AromaticContact CE1-NE2 3.36Å; Y137-H219 WeakPolarHBondContact CE1-NE2 3.49Å; Y137-H219 AromaticContact CZ-NE2 3.39Å; Y137-H219 PolarHBondContact OH-NE2 2.93Å
138W97.8Very high95.2Very high9 Ų969.9 Ų69.93%0.03435%0.347CS..SBendtrans-121.3146.8-178.262.989000110.5L126 K136 F145 L168 H183 I185L126-W138 HydrophobicContact CD2-CH2 3.44Å; L126-W138 VanDerWaalsContact CD2-CH2 3.44Å; L126-W138 HydrophobicContact CD2-CZ2 3.97Å; L126-W138 HydrophobicContact CD2-CZ3 4.18Å; L126-W138 HydrophobicContact CG-CH2 4.4Å; K136-W138 VanDerWaalsContact CE-O 3.29Å; K136-W138 WeakPolarHBondContact CE-O 3.42Å; K136-W138 HydrophobicContact CG-CD2 4.28Å; K136-W138 HydrophobicContact CG-CZ2 4.32Å; W138-F145 VanDerWaalsContact C-CE2 3.48Å; W138-F145 WeakPolarHBondContact O-CE2 3.29Å; W138-F145 WeakPolarHBondContact O-CZ 3.03Å; W138-L168 HydrophobicContact CB-CD1 4.31Å; W138-H183 AromaticContact CD2-CE1 3.44Å; W138-H183 VanDerWaalsContact CD2-CE1 3.44Å; W138-H183 AromaticContact CE3-CE1 3.54Å; W138-H183 AromaticContact CG-CE1 3.67Å; W138-H183 AromaticContact CG-ND1 3.98Å; W138-I185 HydrophobicContact CD2-CD1 4.35Å; W138-I185 HydrophobicContact CH2-CD1 4.09Å; W138-I185 HydrophobicContact CZ2-CD1 3.53Å
139P97.3Very high95.1Very high0 Ų070.6 Ų70.60%035%0.352CS..  trans-78.3156.9176.133.5-37.8000112.4E143 F145 V152 L154P139-E143 HydrophobicContact CB-CB 3.66Å; P139-E143 WeakPolarHBondContact CB-O 3.28Å; P139-F145 HydrophobicContact CB-CD1 3.9Å; P139-F145 HydrophobicContact CB-CE1 4.02Å; P139-F145 HydrophobicContact CB-CG 4.24Å; P139-F145 HydrophobicContact CB-CZ 4.47Å; P139-V152 HydrophobicContact CG-CG1 4.03Å; P139-L154 HydrophobicContact CG-CB 4.37Å
140D94.6Very high95.3Very high62 Ų6261.6 Ų61.633%0.33231%0.313SS..  trans-88.5-177.5157.6-70.7-47.6000111.4K136 D142 E143 R164K136-D140 WeakPolarHBondContact CE-OD2 3.23Å; K136-D140 IonicContact NZ-OD2 3.51Å; K136-D140 PolarHBondContact NZ-OD2 2.93Å; D140-D142 VanDerWaalsContact C-N 3.32Å; D140-D142 PolarHBondContact O-N 3.44Å; D140-E143 PolarHBondContact N-OE2 2.84Å; D140-E143 PolarHBondContact O-N 3.17Å; D140-E143 VanDerWaalsContact O-N 3.09Å; D140-R164 IonicContact OD1-CZ 2.92Å; D140-R164 IonicContact OD1-NH1 3.74Å; D140-R164 IonicContact OD1-NH2 3.79Å; D140-R164 PolarHBondContact OD1-NH2 3.45Å
141Y87.6Confident95.5Very high172 Ų17262 Ų6268%0.67529%0.292SS*.THydrogen-bonded Turntrans-59.5-37.1-165.6-172.1-94.7000114.2
142D88.2Confident95.7Very high156 Ų15655 Ų5583%0.83426%0.261SS*.THydrogen-bonded Turntrans-96.212.2-178.6-58.8-50.5000113D140D140-D142 VanDerWaalsContact C-N 3.32Å; D140-D142 PolarHBondContact O-N 3.44Å
143E94.7Very high95.7Very high78 Ų7856.7 Ų56.736%0.36426%0.258SS..  trans-111.2141-177.5-62179151.100111.3K136 P139 D140 F145K136-E143 IonicContact NZ-OE1 3.58Å; K136-E143 IonicContact NZ-OE2 3.44Å; K136-E143 PolarHBondContact NZ-OE2 3.24Å; P139-E143 HydrophobicContact CB-CB 3.66Å; P139-E143 WeakPolarHBondContact CB-O 3.28Å; D140-E143 PolarHBondContact N-OE2 2.84Å; D140-E143 PolarHBondContact O-N 3.17Å; D140-E143 VanDerWaalsContact O-N 3.09Å; E143-F145 HydrophobicContact CB-CD1 4.28Å; E143-F145 HydrophobicContact CB-CE1 3.92Å; E143-F145 HydrophobicContact CG-CE1 4.41Å
144E95.8Very high95.8Very high66 Ų6656.9 Ų56.931%0.30826%0.259SS..EExtended strand (participates in β ladder)trans-121.3125.5161.9175.4170.652.900107.7R151 R153E144-R151 HydrophobicContact CG-CB 4.39Å; E144-R151 HydrophobicContact CG-CG 4.46Å; E144-R151 WeakPolarHBondContact OE2-CB 3.39Å; E144-R151 WeakPolarHBondContact OE2-CD 3.43Å; E144-R153 HydrophobicContact CB-CG 3.88Å; E144-R153 HydrophobicContact CG-CG 3.82Å; E144-R153 IonicContact OE1-CZ 3.58Å; E144-R153 IonicContact OE1-NE 2.7Å; E144-R153 IonicContact OE1-NH2 2.63Å; E144-R153 PolarHBondContact OE1-NH2 3.21Å; E144-R153 IonicContact OE2-CZ 3.12Å; E144-R153 VanDerWaalsContact OE2-CZ 3.28Å; E144-R153 IonicContact OE2-NE 2.86Å; E144-R153 PolarHBondContact OE2-NE 2.88Å; E144-R153 IonicContact OE2-NH2 3.28Å; E144-R153 PolarHBondContact OE2-NH2 2.91Å; E144-R153 VanDerWaalsContact OE2-NH2 3.11Å
145F97.2Very high95.7Very high47 Ų4761.1 Ų61.121%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-96.8124.3175-71.610.2000108.7W138 P139 E143 I147 R151 V152W138-F145 VanDerWaalsContact C-CE2 3.48Å; W138-F145 WeakPolarHBondContact O-CE2 3.29Å; W138-F145 WeakPolarHBondContact O-CZ 3.03Å; P139-F145 HydrophobicContact CB-CD1 3.9Å; P139-F145 HydrophobicContact CB-CE1 4.02Å; P139-F145 HydrophobicContact CB-CG 4.24Å; P139-F145 HydrophobicContact CB-CZ 4.47Å; E143-F145 HydrophobicContact CB-CD1 4.28Å; E143-F145 HydrophobicContact CB-CE1 3.92Å; E143-F145 HydrophobicContact CG-CE1 4.41Å; F145-I147 HydrophobicContact CB-CD1 3.69Å; F145-I147 HydrophobicContact CB-CG1 4.05Å; F145-I147 HydrophobicContact CD2-CD1 4.1Å; F145-I147 HydrophobicContact CG-CD1 4.43Å; F145-R151 WeakPolarHBondContact O-CA 3.45Å; F145-V152 HydrophobicContact CB-CB 4.47Å; F145-V152 PolarHBondContact N-O 3.25Å; F145-V152 PolarHBondContact O-N 3.25Å
146E96.7Very high95.6Very high120 Ų12065.3 Ų65.356%0.56130%0.298SS*.EExtended strand (participates in β ladder)trans-91.7113.3164.9-63.1-161.5149.500108.5L150 R151E146-L150 WeakPolarHBondContact CA-O 3.2Å; E146-R151 HydrophobicContact CG-CG 4.11Å; E146-R151 IonicContact OE1-CZ 2.72Å; E146-R151 IonicContact OE1-NE 2.76Å; E146-R151 PolarHBondContact OE1-NE 3.49Å; E146-R151 IonicContact OE1-NH2 2.87Å; E146-R151 PolarHBondContact OE1-NH2 3.25Å
147I95Very high95.4Very high16 Ų1665.6 Ų65.68%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-131.2106.9-174.8-62.9160.4000107.1I105 W109 F145 D149 L150 V152I105-I147 HydrophobicContact CG2-CD1 3.78Å; I105-I147 HydrophobicContact CG2-CG1 4.11Å; I105-I147 HydrophobicContact CG2-CG2 4.05Å; W109-I147 HydrophobicContact CB-CG2 3.88Å; W109-I147 VanDerWaalsContact CD1-CD1 3.49Å; W109-I147 HydrophobicContact CG-CD1 4.18Å; W109-I147 HydrophobicContact CG-CG2 4.14Å; F145-I147 HydrophobicContact CB-CD1 3.69Å; F145-I147 HydrophobicContact CB-CG1 4.05Å; F145-I147 HydrophobicContact CD2-CD1 4.1Å; F145-I147 HydrophobicContact CG-CD1 4.43Å; I147-D149 PolarHBondContact O-N 3.02Å; I147-L150 PolarHBondContact N-O 3.06Å; I147-L150 WeakPolarHBondContact O-CA 3.46Å; I147-L150 VanDerWaalsContact O-CB 3.31Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 2.92Å; I147-V152 HydrophobicContact CD1-CG2 4.27Å
148E92.1Very high95Very high135 Ų13569.9 Ų69.963%0.63132%0.324SS*.THydrogen-bonded Turntrans56-125.6-171.8-50.3-63.8166.900111.2L150 M173E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 3.22Å; E148-M173 WeakPolarHBondContact O-CE 3.45Å
149D94.7Very high94Very high43 Ų4378.8 Ų78.823%0.2336%0.363CS..THydrogen-bonded Turntrans-8813.7174.8-177.527.7000112.5I147 Q172 M173 R174I147-D149 PolarHBondContact O-N 3.02Å; D149-Q172 CarbonylContact O-C 3.59Å; D149-Q172 WeakPolarHBondContact O-CA 3.47Å; D149-Q172 WeakPolarHBondContact OD2-CG 3.3Å; D149-Q172 PolarHBondContact OD2-NE2 3.29Å; D149-M173 PolarHBondContact O-N 3.09Å; D149-M173 WeakPolarHBondContact OD1-CB 3.32Å; D149-M173 PolarHBondContact OD1-N 2.99Å; D149-R174 PolarHBondContact OD1-N 3.29Å; D149-R174 WeakPolarHBondContact OD2-CB 3.13Å; D149-R174 IonicContact OD2-NE 2.77Å
150L98.1Very high93.2Very high5 Ų580.7 Ų80.73%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-114.4140.5-174.3-52.7176.9000112W109 W113 E146 I147 E148 V170 R171 Q172W109-L150 HydrophobicContact CB-CD1 4.11Å; W113-L150 HydrophobicContact CB-CD1 3.75Å; W113-L150 HydrophobicContact CB-CD2 4.34Å; W113-L150 HydrophobicContact CD2-CD1 4.25Å; W113-L150 HydrophobicContact CD2-CD2 3.34Å; W113-L150 HydrophobicContact CD2-CG 4.45Å; W113-L150 HydrophobicContact CE3-CD1 4.28Å; W113-L150 HydrophobicContact CE3-CD2 3.55Å; W113-L150 HydrophobicContact CG-CD1 4.07Å; W113-L150 HydrophobicContact CG-CD2 3.73Å; W113-L150 HydrophobicContact CZ3-CD2 4.27Å; E146-L150 WeakPolarHBondContact CA-O 3.2Å; I147-L150 PolarHBondContact N-O 3.06Å; I147-L150 WeakPolarHBondContact O-CA 3.46Å; I147-L150 VanDerWaalsContact O-CB 3.31Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 2.92Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 3.22Å; L150-V170 HydrophobicContact CB-CG1 4.35Å; L150-V170 HydrophobicContact CD1-CG1 4.41Å; L150-R171 CarbonylContact C-O 3.57Å; L150-R171 WeakPolarHBondContact CA-O 3.28Å; L150-Q172 HydrophobicContact CD2-CB 3.83Å; L150-Q172 HydrophobicContact CD2-CG 4.17Å
151R98.2Very high92.7Very high82 Ų8286.4 Ų86.431%0.30940%0.404SS..EExtended strand (participates in β ladder)trans-108.6122.1164.5-77.9178.5177.7-1652.2109.1E144 F145 E146 V170 R171 M173E144-R151 HydrophobicContact CG-CB 4.39Å; E144-R151 HydrophobicContact CG-CG 4.46Å; E144-R151 WeakPolarHBondContact OE2-CB 3.39Å; E144-R151 WeakPolarHBondContact OE2-CD 3.43Å; F145-R151 WeakPolarHBondContact O-CA 3.45Å; E146-R151 HydrophobicContact CG-CG 4.11Å; E146-R151 IonicContact OE1-CZ 2.72Å; E146-R151 IonicContact OE1-NE 2.76Å; E146-R151 PolarHBondContact OE1-NE 3.49Å; E146-R151 IonicContact OE1-NH2 2.87Å; E146-R151 PolarHBondContact OE1-NH2 3.25Å; R151-V170 CarbonylContact O-C 3.57Å; R151-V170 WeakPolarHBondContact O-CA 3.25Å; R151-R171 PolarHBondContact N-O 3.36Å; R151-R171 PolarHBondContact O-N 2.7Å; R151-M173 HydrophobicContact CG-CG 4.15Å; R151-M173 HydrophobicContact CG-SD 4.11Å
152V98.5Very high92.9Very high0 Ų080.7 Ų80.70%040%0.397CS..EExtended strand (participates in β ladder)trans-112.7124.8179.5-175.80000108.2W109 P139 F145 I147 L168 V170W109-V152 HydrophobicContact CD2-CG2 4Å; W109-V152 HydrophobicContact CE3-CG2 4.08Å; W109-V152 HydrophobicContact CH2-CG1 3.68Å; W109-V152 HydrophobicContact CH2-CG2 4Å; W109-V152 HydrophobicContact CZ2-CB 4.38Å; W109-V152 HydrophobicContact CZ2-CG1 3.65Å; W109-V152 HydrophobicContact CZ2-CG2 3.91Å; W109-V152 HydrophobicContact CZ3-CG1 4.47Å; W109-V152 HydrophobicContact CZ3-CG2 4.09Å; P139-V152 HydrophobicContact CG-CG1 4.03Å; F145-V152 HydrophobicContact CB-CB 4.47Å; F145-V152 PolarHBondContact N-O 3.25Å; F145-V152 PolarHBondContact O-N 3.25Å; I147-V152 HydrophobicContact CD1-CG2 4.27Å; V152-L168 HydrophobicContact CG1-CB 4.39Å; V152-L168 HydrophobicContact CG1-CD1 4.36Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; V152-V170 HydrophobicContact CG2-CG1 4.14Å; V152-V170 HydrophobicContact CG2-CG2 4.3Å
153R98Very high93.3Very high121 Ų12174.3 Ų74.346%0.45736%0.362SS..EExtended strand (participates in β ladder)trans-127147.2173.3-67.4-170.6-174.1-156-9.3111E144 L168 N169E144-R153 HydrophobicContact CB-CG 3.88Å; E144-R153 HydrophobicContact CG-CG 3.82Å; E144-R153 IonicContact OE1-CZ 3.58Å; E144-R153 IonicContact OE1-NE 2.7Å; E144-R153 IonicContact OE1-NH2 2.63Å; E144-R153 PolarHBondContact OE1-NH2 3.21Å; E144-R153 IonicContact OE2-CZ 3.12Å; E144-R153 VanDerWaalsContact OE2-CZ 3.28Å; E144-R153 IonicContact OE2-NE 2.86Å; E144-R153 PolarHBondContact OE2-NE 2.88Å; E144-R153 IonicContact OE2-NH2 3.28Å; E144-R153 PolarHBondContact OE2-NH2 2.91Å; E144-R153 VanDerWaalsContact OE2-NH2 3.11Å; R153-L168 CarbonylContact O-C 3.6Å; R153-L168 WeakPolarHBondContact O-CA 3.34Å; R153-N169 PolarHBondContact N-O 2.87Å; R153-N169 PolarHBondContact O-N 3.48Å
154L97.5Very high93.3Very high13 Ų1374.1 Ų74.17%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-77.4121.3167179.663.2000109.1P139 E156 V157 T166 L168P139-L154 HydrophobicContact CG-CB 4.37Å; L154-E156 WeakPolarHBondContact CD1-O 3.38Å; L154-V157 HydrophobicContact CD1-CG2 4.13Å; L154-V157 HydrophobicContact CD2-CG2 3.73Å; L154-V157 HydrophobicContact CG-CG2 4.18Å; L154-T166 VanDerWaalsContact CD1-CB 3.44Å; L154-T166 HydrophobicContact CD1-CG2 3.58Å; L154-L168 HydrophobicContact CB-CD2 4.43Å; L154-L168 HydrophobicContact CD1-CD2 3.93Å
155Q95.6Very high93.4Very high92 Ų9271 Ų7143%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-100.6-47.2-179.2-171.675.744.200111.5I167 N169 F180Q155-I167 WeakPolarHBondContact CB-O 3.42Å; Q155-I167 PolarHBondContact N-O 3.47Å; Q155-N169 HydrophobicContact CB-CB 4.19Å; Q155-N169 PolarHBondContact OE1-ND2 3.12Å; Q155-F180 HydrophobicContact CG-CE1 4.22Å
156E94.9Very high93.3Very high94 Ų9468.8 Ų68.844%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-138.5150.9-176.7-58.3179.2-170.400111.3L154 H158 T166 I167L154-E156 WeakPolarHBondContact CD1-O 3.38Å; E156-H158 IonicContact OE2-CD2 3.51Å; E156-H158 IonicContact OE2-CE1 3.32Å; E156-H158 IonicContact OE2-NE2 3.94Å; E156-H158 PolarHBondContact OE2-NE2 3.21Å; E156-T166 CarbonylContact O-C 3.51Å; E156-T166 WeakPolarHBondContact O-CA 3.23Å; E156-T166 WeakPolarHBondContact O-CB 3.45Å; E156-I167 HydrophobicContact CB-CB 4Å; E156-I167 HydrophobicContact CB-CG1 4.03Å; E156-I167 HydrophobicContact CG-CB 4.44Å; E156-I167 PolarHBondContact N-O 2.91Å; E156-I167 PolarHBondContact O-N 3.07Å
157V92.9Very high93.4Very high66 Ų6664.4 Ų64.440%0.431%0.314SS..EExtended strand (participates in β ladder)trans-125.6118.2174.3-175.60000109.2L154 K159 T166L154-V157 HydrophobicContact CD1-CG2 4.13Å; L154-V157 HydrophobicContact CD2-CG2 3.73Å; L154-V157 HydrophobicContact CG-CG2 4.18Å; V157-K159 HydrophobicContact CG1-CG 4.4Å; V157-T166 HydrophobicContact CB-CG2 4.29Å; V157-T166 HydrophobicContact CG1-CG2 4.1Å; V157-T166 HydrophobicContact CG2-CG2 3.98Å
158H90.6Very high93.5Very high90 Ų9063.7 Ų63.742%0.41731%0.31SS..EExtended strand (participates in β ladder)trans-109.5105.2174.5-62.8-76000108.2E156 A160 S165E156-H158 IonicContact OE2-CD2 3.51Å; E156-H158 IonicContact OE2-CE1 3.32Å; E156-H158 IonicContact OE2-NE2 3.94Å; E156-H158 PolarHBondContact OE2-NE2 3.21Å; H158-A160 PolarHBondContact O-N 3.46Å; H158-S165 CarbonylContact C-O 3.54Å; H158-S165 WeakPolarHBondContact CA-O 3.37Å; H158-S165 PolarHBondContact N-O 3.42Å; H158-S165 PolarHBondContact O-N 3.18Å
159K76.8Confident93.8Very high196 Ų19658.3 Ų58.385%0.85229%0.286SS*.EExtended strand (participates in β ladder)trans-80.8106.6172.4-70.3-174.3-178.6177.10108.4V157V157-K159 HydrophobicContact CG1-CG 4.4Å
160A80.6Confident94Very high40 Ų4056.2 Ų56.233%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-92.7163.2169.200000109.9H158 G162 F163H158-A160 PolarHBondContact O-N 3.46Å; A160-G162 PolarHBondContact O-N 2.8Å; A160-G162 VanDerWaalsContact O-N 3.09Å; A160-F163 HydrophobicContact CB-CD1 3.87Å; A160-F163 HydrophobicContact CB-CD2 4.14Å; A160-F163 HydrophobicContact CB-CE1 3.47Å; A160-F163 VanDerWaalsContact CB-CE1 3.47Å; A160-F163 HydrophobicContact CB-CE2 3.76Å; A160-F163 HydrophobicContact CB-CG 4.22Å; A160-F163 HydrophobicContact CB-CZ 3.42Å; A160-F163 VanDerWaalsContact CB-CZ 3.42Å; A160-F163 PolarHBondContact N-O 3.4Å; A160-F163 VanDerWaalsContact O-O 3.07Å
161E83Confident94Very high183 Ų18359.6 Ų59.686%0.85529%0.287SS*.THydrogen-bonded Turntrans-63.2114.3174.7-68.5-172172.200110.3F163E161-F163 PolarHBondContact O-N 3.12Å
162G92.2Very high94Very high52 Ų5257 Ų5754%0.53628%0.278SS..THydrogen-bonded Turntrans83.9-8173.700000116.8A160 Y186A160-G162 PolarHBondContact O-N 2.8Å; A160-G162 VanDerWaalsContact O-N 3.09Å; G162-Y186 WeakPolarHBondContact O-CD2 3.16Å
163F95.8Very high93.9Very high21 Ų2159.8 Ų59.89%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-143.3153.4174.470-85.9000112.7A160 E161 I184 Y186 V200 I204 K207A160-F163 HydrophobicContact CB-CD1 3.87Å; A160-F163 HydrophobicContact CB-CD2 4.14Å; A160-F163 HydrophobicContact CB-CE1 3.47Å; A160-F163 VanDerWaalsContact CB-CE1 3.47Å; A160-F163 HydrophobicContact CB-CE2 3.76Å; A160-F163 HydrophobicContact CB-CG 4.22Å; A160-F163 HydrophobicContact CB-CZ 3.42Å; A160-F163 VanDerWaalsContact CB-CZ 3.42Å; A160-F163 PolarHBondContact N-O 3.4Å; A160-F163 VanDerWaalsContact O-O 3.07Å; E161-F163 PolarHBondContact O-N 3.12Å; F163-I184 HydrophobicContact CD2-CG2 3.71Å; F163-I184 HydrophobicContact CE2-CD1 4.45Å; F163-I184 HydrophobicContact CE2-CG1 4.42Å; F163-I184 HydrophobicContact CE2-CG2 4.19Å; F163-I184 HydrophobicContact CG-CG2 4.46Å; F163-Y186 HydrophobicContact CB-CD2 4.34Å; F163-V200 HydrophobicContact CB-CG1 4.25Å; F163-V200 HydrophobicContact CD1-CG1 3.94Å; F163-I204 HydrophobicContact CB-CD1 4.1Å; F163-I204 HydrophobicContact CD1-CD1 4.13Å; F163-I204 HydrophobicContact CD1-CG1 3.73Å; F163-I204 HydrophobicContact CD2-CD1 4.46Å; F163-I204 HydrophobicContact CD2-CG1 4.1Å; F163-I204 HydrophobicContact CE1-CG1 3.77Å; F163-I204 HydrophobicContact CE2-CG1 4.14Å; F163-I204 HydrophobicContact CG-CD1 3.99Å; F163-I204 HydrophobicContact CG-CG1 3.87Å; F163-I204 HydrophobicContact CZ-CG1 3.97Å; F163-K207 HydrophobicContact CE2-CD 4.44Å; F163-K207 HydrophobicContact CZ-CD 4.31Å
164R95.8Very high93.7Very high74 Ų7464 Ų6428%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-91.4125.6173.3177.3179.1176-176.5-1.2108.2D140 T166 I184 I185D140-R164 IonicContact OD1-CZ 2.92Å; D140-R164 IonicContact OD1-NH1 3.74Å; D140-R164 IonicContact OD1-NH2 3.79Å; D140-R164 PolarHBondContact OD1-NH2 3.45Å; R164-T166 HydrophobicContact CG-CG2 3.99Å; R164-T166 VanDerWaalsContact NE-CG2 3.34Å; R164-I184 CarbonylContact O-C 3.47Å; R164-I184 WeakPolarHBondContact O-CA 3.38Å; R164-I185 HydrophobicContact CB-CB 4.4Å; R164-I185 PolarHBondContact N-O 3.44Å; R164-I185 PolarHBondContact O-N 3.01Å
165S96.8Very high93.6Very high2 Ų266.2 Ų66.21%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-110.9139.8164-160.70000109.6H158 E182 H183H158-S165 CarbonylContact C-O 3.54Å; H158-S165 WeakPolarHBondContact CA-O 3.37Å; H158-S165 PolarHBondContact N-O 3.42Å; H158-S165 PolarHBondContact O-N 3.18Å; S165-E182 WeakPolarHBondContact OG-CG 3Å; S165-E182 PolarHBondContact OG-OE1 3.41Å; S165-H183 CarbonylContact C-O 3.56Å; S165-H183 WeakPolarHBondContact CA-O 3.46Å
166T96.5Very high93.5Very high0 Ų069.4 Ų69.40%033%0.333CS..EExtended strand (participates in β ladder)trans-140.5146.1178.946.60000110.5L154 E156 V157 R164 E182 H183L154-T166 VanDerWaalsContact CD1-CB 3.44Å; L154-T166 HydrophobicContact CD1-CG2 3.58Å; E156-T166 CarbonylContact O-C 3.51Å; E156-T166 WeakPolarHBondContact O-CA 3.23Å; E156-T166 WeakPolarHBondContact O-CB 3.45Å; V157-T166 HydrophobicContact CB-CG2 4.29Å; V157-T166 HydrophobicContact CG1-CG2 4.1Å; V157-T166 HydrophobicContact CG2-CG2 3.98Å; R164-T166 HydrophobicContact CG-CG2 3.99Å; R164-T166 VanDerWaalsContact NE-CG2 3.34Å; T166-E182 CarbonylContact O-C 3.6Å; T166-E182 WeakPolarHBondContact O-CA 3.42Å; T166-H183 PolarHBondContact N-O 2.79Å; T166-H183 PolarHBondContact O-N 3.39Å; T166-H183 PolarHBondContact OG1-O 2.95Å; T166-H183 VanDerWaalsContact OG1-O 3.11Å
167I97.5Very high93.7Very high28 Ų2869.3 Ų69.314%0.14433%0.332CS..EExtended strand (participates in β ladder)trans-98.9119.7171.3-53.3-55.7000107.9Q155 E156 F180 E182Q155-I167 WeakPolarHBondContact CB-O 3.42Å; Q155-I167 PolarHBondContact N-O 3.47Å; E156-I167 HydrophobicContact CB-CB 4Å; E156-I167 HydrophobicContact CB-CG1 4.03Å; E156-I167 HydrophobicContact CG-CB 4.44Å; E156-I167 PolarHBondContact N-O 2.91Å; E156-I167 PolarHBondContact O-N 3.07Å; I167-F180 HydrophobicContact CG2-CB 3.89Å; I167-F180 HydrophobicContact CG2-CD1 3.89Å; I167-F180 HydrophobicContact CG2-CG 4.32Å; I167-E182 HydrophobicContact CD1-CB 3.86Å; I167-E182 HydrophobicContact CD1-CG 3.9Å
168L98.3Very high93.9Very high0 Ų070.5 Ų70.50%033%0.334CS..EExtended strand (participates in β ladder)trans-96.6125.4175.5-57.9-179.9000109.2W109 W138 V152 R153 L154 V170 F180 I181 H183W109-L168 HydrophobicContact CH2-CD1 3.69Å; W109-L168 HydrophobicContact CZ2-CD1 4.09Å; W138-L168 HydrophobicContact CB-CD1 4.31Å; V152-L168 HydrophobicContact CG1-CB 4.39Å; V152-L168 HydrophobicContact CG1-CD1 4.36Å; R153-L168 CarbonylContact O-C 3.6Å; R153-L168 WeakPolarHBondContact O-CA 3.34Å; L154-L168 HydrophobicContact CB-CD2 4.43Å; L154-L168 HydrophobicContact CD1-CD2 3.93Å; L168-V170 HydrophobicContact CB-CG2 4.31Å; L168-F180 WeakPolarHBondContact O-CA 3.45Å; L168-I181 PolarHBondContact N-O 3.41Å; L168-I181 PolarHBondContact O-N 3.3Å; L168-H183 HydrophobicContact CD1-CB 3.71Å; L168-H183 HydrophobicContact CG-CB 3.98Å
169N97.6Very high94.3Very high22 Ų2268.1 Ų68.112%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-87.2112.4169.6-176.3-22000108.3R153 Q155 M178 F180R153-N169 PolarHBondContact N-O 2.87Å; R153-N169 PolarHBondContact O-N 3.48Å; Q155-N169 HydrophobicContact CB-CB 4.19Å; Q155-N169 PolarHBondContact OE1-ND2 3.12Å; N169-M178 VanDerWaalsContact OD1-CG 3.23Å; N169-M178 WeakPolarHBondContact OD1-CG 3.33Å; N169-M178 PolarHBondContact OD1-SD 2.77Å; N169-F180 HydrophobicContact CB-CD1 4.2Å; N169-F180 HydrophobicContact CB-CE1 3.95Å
170V98.5Very high95.3Very high0 Ų064.4 Ų64.40%031%0.306CS..EExtended strand (participates in β ladder)trans-113.6120.3-178.7-170.60000109.2W109 W113 L150 R151 V152 L168 M178 R179 I181W109-V170 HydrophobicContact CH2-CG2 4.05Å; W109-V170 HydrophobicContact CZ3-CG1 4.37Å; W109-V170 HydrophobicContact CZ3-CG2 3.68Å; W113-V170 HydrophobicContact CE3-CB 4.37Å; W113-V170 HydrophobicContact CE3-CG1 3.6Å; W113-V170 HydrophobicContact CZ3-CB 4.06Å; W113-V170 HydrophobicContact CZ3-CG1 3.67Å; W113-V170 WeakPolarHBondContact CZ3-O 3.39Å; L150-V170 HydrophobicContact CB-CG1 4.35Å; L150-V170 HydrophobicContact CD1-CG1 4.41Å; R151-V170 CarbonylContact O-C 3.57Å; R151-V170 WeakPolarHBondContact O-CA 3.25Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; V152-V170 HydrophobicContact CG2-CG1 4.14Å; V152-V170 HydrophobicContact CG2-CG2 4.3Å; L168-V170 HydrophobicContact CB-CG2 4.31Å; V170-M178 WeakPolarHBondContact O-CA 3.28Å; V170-R179 PolarHBondContact N-O 2.88Å; V170-R179 PolarHBondContact O-N 3.23Å; V170-I181 HydrophobicContact CB-CD1 4.37Å; V170-I181 HydrophobicContact CG2-CD1 3.85Å; V170-I181 HydrophobicContact CG2-CG1 4.24Å
171R98Very high96.1Very high76 Ų7662.5 Ų62.529%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-119.4128.4-179.1-174.1-174.2-172.2-179.99.6110.5L150 R151 E177L150-R171 CarbonylContact C-O 3.57Å; L150-R171 WeakPolarHBondContact CA-O 3.28Å; R151-R171 PolarHBondContact N-O 3.36Å; R151-R171 PolarHBondContact O-N 2.7Å; R171-E177 WeakPolarHBondContact CA-O 3.39Å
172Q97.7Very high96.8Very high26 Ų2655 Ų5512%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-83.4127.1169-177.7172.24000110.3W113 D149 L150 S175 R176 E177W113-Q172 HydrophobicContact CD2-CB 4.43Å; W113-Q172 HydrophobicContact CH2-CB 3.84Å; W113-Q172 HydrophobicContact CZ2-CB 3.34Å; W113-Q172 HydrophobicContact CZ2-CG 4.32Å; W113-Q172 VanDerWaalsContact NE1-OE1 3.13Å; D149-Q172 CarbonylContact O-C 3.59Å; D149-Q172 WeakPolarHBondContact O-CA 3.47Å; D149-Q172 WeakPolarHBondContact OD2-CG 3.3Å; D149-Q172 PolarHBondContact OD2-NE2 3.29Å; L150-Q172 HydrophobicContact CD2-CB 3.83Å; L150-Q172 HydrophobicContact CD2-CG 4.17Å; Q172-S175 WeakPolarHBondContact CB-OG 2.94Å; Q172-S175 WeakPolarHBondContact CG-OG 3.16Å; Q172-S175 PolarHBondContact OE1-OG 2.99Å; Q172-R176 WeakPolarHBondContact O-CA 3.34Å; Q172-R176 PolarHBondContact O-N 2.93Å; Q172-E177 PolarHBondContact N-O 2.73Å
173M96.4Very high97.1Very high60 Ų6052.5 Ų52.530%0.29623%0.23SC..THydrogen-bonded Turntrans-71-43.6-171.7-61.7-175.2-7800111.7E148 D149 R151 R176E148-M173 WeakPolarHBondContact O-CE 3.45Å; D149-M173 PolarHBondContact O-N 3.09Å; D149-M173 WeakPolarHBondContact OD1-CB 3.32Å; D149-M173 PolarHBondContact OD1-N 2.99Å; R151-M173 HydrophobicContact CG-CG 4.15Å; R151-M173 HydrophobicContact CG-SD 4.11Å; M173-R176 VanDerWaalsContact O-CD 3.31Å; M173-R176 WeakPolarHBondContact O-CD 3.38Å
174R94.8Very high97.2Very high208 Ų20851.5 Ų51.579%0.78523%0.225SC*.THydrogen-bonded Turntrans-65-47.6-178.5-174.4173.460.4148.23.3113.9D149D149-R174 PolarHBondContact OD1-N 3.29Å; D149-R174 WeakPolarHBondContact OD2-CB 3.13Å; D149-R174 IonicContact OD2-NE 2.77Å
175S95.2Very high97.4Very high60 Ų6048.3 Ų48.342%0.4221%0.213SC..THydrogen-bonded Turntrans-88.4-16.9-178.263.90000113.1Q172 E177Q172-S175 WeakPolarHBondContact CB-OG 2.94Å; Q172-S175 WeakPolarHBondContact CG-OG 3.16Å; Q172-S175 PolarHBondContact OE1-OG 2.99Å; S175-E177 PolarHBondContact O-N 2.8Å; S175-E177 VanDerWaalsContact O-N 3.11Å; S175-E177 WeakPolarHBondContact OG-CB 3.44Å; S175-E177 PolarHBondContact OG-N 3.38Å
176R94.1Very high97.4Very high160 Ų16048.2 Ų48.260%0.60421%0.213SC*.  trans61.46.8-170.1-48.8-74.3-99.3-178.9-6.2113.5Q172 M173Q172-R176 WeakPolarHBondContact O-CA 3.34Å; Q172-R176 PolarHBondContact O-N 2.93Å; M173-R176 VanDerWaalsContact O-CD 3.31Å; M173-R176 WeakPolarHBondContact O-CD 3.38Å
177E98Very high97.4Very high91 Ų9153 Ų5343%0.42523%0.234SC..  trans-59.6139.7173.4-177.2-176.9171.500109.6W113 R171 Q172 S175 R179W113-E177 HydrophobicContact CH2-CB 4.2Å; W113-E177 HydrophobicContact CH2-CG 4.05Å; W113-E177 HydrophobicContact CZ2-CB 3.98Å; W113-E177 HydrophobicContact CZ2-CG 4Å; R171-E177 WeakPolarHBondContact CA-O 3.39Å; Q172-E177 PolarHBondContact N-O 2.73Å; S175-E177 PolarHBondContact O-N 2.8Å; S175-E177 VanDerWaalsContact O-N 3.11Å; S175-E177 WeakPolarHBondContact OG-CB 3.44Å; S175-E177 PolarHBondContact OG-N 3.38Å; E177-R179 IonicContact OE1-NE 3.16Å
178M98.1Very high97.2Very high91 Ų9155.6 Ų55.645%0.44825%0.248SC..EExtended strand (participates in β ladder)trans-126.2137.5-179.7-178.5-177.6-70.400109.4N169 V170 F180N169-M178 VanDerWaalsContact OD1-CG 3.23Å; N169-M178 WeakPolarHBondContact OD1-CG 3.33Å; N169-M178 PolarHBondContact OD1-SD 2.77Å; V170-M178 WeakPolarHBondContact O-CA 3.28Å; M178-F180 HydrophobicContact SD-CE2 4.32Å; M178-F180 HydrophobicContact SD-CZ 3.98Å
179R98.3Very high97.2Very high41 Ų4155.6 Ų55.616%0.15525%0.248CC..EExtended strand (participates in β ladder)trans-136147.2173.7-68.9-175.4-69-174.2-10.8110.8W113 V170 E177W113-R179 VanDerWaalsContact C-NH2 3.27Å; W113-R179 HydrophobicContact CH2-CG 4.33Å; W113-R179 HydrophobicContact CZ3-CB 4.33Å; W113-R179 HydrophobicContact CZ3-CG 4.46Å; W113-R179 VanDerWaalsContact O-CZ 3.3Å; W113-R179 PolarHBondContact O-NH1 3.01Å; W113-R179 PolarHBondContact O-NH2 3.27Å; V170-R179 PolarHBondContact N-O 2.88Å; V170-R179 PolarHBondContact O-N 3.23Å; E177-R179 IonicContact OE1-NE 3.16Å
180F97.9Very high96.9Very high117 Ų11756.9 Ų56.951%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-100.7126.7171.8-63.7-79.9000108.5Q155 I167 L168 N169 M178Q155-F180 HydrophobicContact CG-CE1 4.22Å; I167-F180 HydrophobicContact CG2-CB 3.89Å; I167-F180 HydrophobicContact CG2-CD1 3.89Å; I167-F180 HydrophobicContact CG2-CG 4.32Å; L168-F180 WeakPolarHBondContact O-CA 3.45Å; N169-F180 HydrophobicContact CB-CD1 4.2Å; N169-F180 HydrophobicContact CB-CE1 3.95Å; M178-F180 HydrophobicContact SD-CE2 4.32Å; M178-F180 HydrophobicContact SD-CZ 3.98Å
181I98.4Very high96.4Very high1 Ų159.1 Ų59.11%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-120.9123.5-177.5-58.2-177.3000107.9W109 V112 V117 D118 I120 L168 V170 H183W109-I181 HydrophobicContact CZ3-CD1 4.19Å; V112-I181 HydrophobicContact CG1-CD1 3.45Å; V112-I181 VanDerWaalsContact CG1-CD1 3.45Å; V117-I181 WeakPolarHBondContact O-CD1 3.36Å; V117-I181 WeakPolarHBondContact O-CG1 3.42Å; D118-I181 WeakPolarHBondContact O-CA 3.27Å; I120-I181 HydrophobicContact CD1-CG2 3.98Å; I120-I181 HydrophobicContact CG1-CG2 3.98Å; L168-I181 PolarHBondContact N-O 3.41Å; L168-I181 PolarHBondContact O-N 3.3Å; V170-I181 HydrophobicContact CB-CD1 4.37Å; V170-I181 HydrophobicContact CG2-CD1 3.85Å; V170-I181 HydrophobicContact CG2-CG1 4.24Å; I181-H183 PolarHBondContact O-N 2.84Å
182E97.9Very high95.8Very high25 Ų2560.5 Ų60.512%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-78.9122.2174.2-175.1157.8-140.800110.1D118 M119 I120 S165 T166 I167 I184 K207D118-E182 PolarHBondContact O-N 2.99Å; M119-E182 CarbonylContact C-O 3.6Å; M119-E182 VanDerWaalsContact CA-O 3.23Å; M119-E182 WeakPolarHBondContact CA-O 3.3Å; I120-E182 PolarHBondContact N-O 3.48Å; S165-E182 WeakPolarHBondContact OG-CG 3Å; S165-E182 PolarHBondContact OG-OE1 3.41Å; T166-E182 CarbonylContact O-C 3.6Å; T166-E182 WeakPolarHBondContact O-CA 3.42Å; I167-E182 HydrophobicContact CD1-CB 3.86Å; I167-E182 HydrophobicContact CD1-CG 3.9Å; E182-I184 HydrophobicContact CG-CG1 4.27Å; E182-K207 WeakPolarHBondContact OE1-CE 3.4Å; E182-K207 IonicContact OE1-NZ 3.4Å; E182-K207 PolarHBondContact OE1-NZ 2.88Å; E182-K207 WeakPolarHBondContact OE2-CE 3.28Å; E182-K207 IonicContact OE2-NZ 3.95Å; E182-K207 PolarHBondContact OE2-NZ 3.13Å
183H98.2Very high95.6Very high0 Ų060 Ų600%028%0.28CS..EExtended strand (participates in β ladder)trans-112.2113.4179.7179.4-131.1000109.9I120 Y137 W138 S165 T166 L168 I181 I185I120-H183 WeakPolarHBondContact O-CA 3.44Å; Y137-H183 AromaticContact CE2-NE2 3.72Å; Y137-H183 AromaticContact CZ-NE2 3.51Å; Y137-H183 PolarHBondContact OH-NE2 3.25Å; W138-H183 AromaticContact CD2-CE1 3.44Å; W138-H183 VanDerWaalsContact CD2-CE1 3.44Å; W138-H183 AromaticContact CE3-CE1 3.54Å; W138-H183 AromaticContact CG-CE1 3.67Å; W138-H183 AromaticContact CG-ND1 3.98Å; S165-H183 CarbonylContact C-O 3.56Å; S165-H183 WeakPolarHBondContact CA-O 3.46Å; T166-H183 PolarHBondContact N-O 2.79Å; T166-H183 PolarHBondContact O-N 3.39Å; T166-H183 PolarHBondContact OG1-O 2.95Å; T166-H183 VanDerWaalsContact OG1-O 3.11Å; L168-H183 HydrophobicContact CD1-CB 3.71Å; L168-H183 HydrophobicContact CG-CB 3.98Å; I181-H183 PolarHBondContact O-N 2.84Å; H183-I185 VanDerWaalsContact CE1-CD1 3.47Å; H183-I185 WeakPolarHBondContact CE1-CD1 3.13Å; H183-I185 VanDerWaalsContact CE1-CG1 3.46Å; H183-I185 WeakPolarHBondContact CE1-CG1 3.02Å
184I98.3Very high95.3Very high0 Ų057.8 Ų57.80%027%0.273CS..EExtended strand (participates in β ladder)trans-104.7128.6-179.6-67.3174.3000108.7M119 I120 V121 C122 F163 R164 E182 I204 K207M119-I184 HydrophobicContact CE-CD1 4.27Å; M119-I184 HydrophobicContact CG-CD1 4.44Å; M119-I184 HydrophobicContact SD-CD1 3.93Å; I120-I184 PolarHBondContact O-N 3.21Å; V121-I184 HydrophobicContact CG1-CG2 4.41Å; V121-I184 HydrophobicContact CG2-CB 4.44Å; C122-I184 PolarHBondContact N-O 2.95Å; F163-I184 HydrophobicContact CD2-CG2 3.71Å; F163-I184 HydrophobicContact CE2-CD1 4.45Å; F163-I184 HydrophobicContact CE2-CG1 4.42Å; F163-I184 HydrophobicContact CE2-CG2 4.19Å; F163-I184 HydrophobicContact CG-CG2 4.46Å; R164-I184 CarbonylContact O-C 3.47Å; R164-I184 WeakPolarHBondContact O-CA 3.38Å; E182-I184 HydrophobicContact CG-CG1 4.27Å; I184-I204 HydrophobicContact CD1-CG2 4.19Å; I184-I204 HydrophobicContact CG2-CD1 4.09Å; I184-I204 HydrophobicContact CG2-CG1 4.18Å; I184-I204 HydrophobicContact CG2-CG2 4.13Å; I184-K207 HydrophobicContact CD1-CD 4.31Å
185I98.1Very high95.4Very high6 Ų648.5 Ų48.53%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-120.4116.7174.4-48178.1000109.2C122 W138 R164 H183 K187C122-I185 HydrophobicContact CB-CB 4.49Å; C122-I185 HydrophobicContact CB-CG1 4.23Å; C122-I185 HydrophobicContact CB-CG2 4.32Å; C122-I185 WeakPolarHBondContact O-CA 3.42Å; W138-I185 HydrophobicContact CD2-CD1 4.35Å; W138-I185 HydrophobicContact CH2-CD1 4.09Å; W138-I185 HydrophobicContact CZ2-CD1 3.53Å; R164-I185 HydrophobicContact CB-CB 4.4Å; R164-I185 PolarHBondContact N-O 3.44Å; R164-I185 PolarHBondContact O-N 3.01Å; H183-I185 VanDerWaalsContact CE1-CD1 3.47Å; H183-I185 WeakPolarHBondContact CE1-CD1 3.13Å; H183-I185 VanDerWaalsContact CE1-CG1 3.46Å; H183-I185 WeakPolarHBondContact CE1-CG1 3.02Å; I185-K187 HydrophobicContact CG2-CD 4.43Å; I185-K187 HydrophobicContact CG2-CG 3.72Å
186Y97.8Very high95.3Very high1 Ų150.5 Ų50.50%0.00425%0.246CC..  trans-115.9107.9169.6178.8-126.5000109.9C122 L123 G162 F163 D188 W189 P195 C197 V200 V201 I204C122-Y186 PolarHBondContact O-N 3Å; L123-Y186 CarbonylContact C-O 3.52Å; L123-Y186 VanDerWaalsContact C-O 3.31Å; L123-Y186 WeakPolarHBondContact CA-O 2.88Å; L123-Y186 HydrophobicContact CD2-CD1 4.38Å; G162-Y186 WeakPolarHBondContact O-CD2 3.16Å; F163-Y186 HydrophobicContact CB-CD2 4.34Å; Y186-D188 HydrophobicContact CD2-CB 4.4Å; Y186-D188 HydrophobicContact CE2-CB 3.6Å; Y186-D188 PolarHBondContact OH-O 3.48Å; Y186-W189 HydrophobicContact CD1-CB 4.2Å; Y186-W189 HydrophobicContact CD1-CE3 4.02Å; Y186-W189 HydrophobicContact CE1-CB 3.85Å; Y186-W189 HydrophobicContact CE1-CD2 4.48Å; Y186-W189 AromaticContact CE1-CE3 3.94Å; Y186-W189 HydrophobicContact CE1-CE3 3.94Å; Y186-P195 HydrophobicContact CE1-CB 3.77Å; Y186-C197 PolarHBondContact OH-N 2.88Å; Y186-V200 HydrophobicContact CD2-CG1 3.55Å; Y186-V200 HydrophobicContact CE2-CB 4.11Å; Y186-V200 HydrophobicContact CE2-CG1 3.44Å; Y186-V200 VanDerWaalsContact CE2-CG1 3.44Å; Y186-V200 HydrophobicContact CG-CG1 4.26Å; Y186-V201 HydrophobicContact CD1-CG2 4.15Å; Y186-V201 HydrophobicContact CE1-CG2 3.63Å; Y186-I204 HydrophobicContact CG-CD1 4.18Å
187K95.8Very high95.4Very high101 Ų10144.9 Ų44.944%0.43923%0.231SC..  trans-92.5-21.6-173.4-58.6-179.6169-149.60113.3D125 I185 W189D125-K187 HydrophobicContact CB-CB 4.32Å; D125-K187 HydrophobicContact CB-CD 4.32Å; D125-K187 HydrophobicContact CB-CG 4.29Å; D125-K187 VanDerWaalsContact OD1-CE 3.28Å; D125-K187 WeakPolarHBondContact OD1-CE 3.45Å; D125-K187 IonicContact OD1-NZ 3.6Å; D125-K187 PolarHBondContact OD1-NZ 3.4Å; D125-K187 IonicContact OD2-NZ 3.11Å; I185-K187 HydrophobicContact CG2-CD 4.43Å; I185-K187 HydrophobicContact CG2-CG 3.72Å; K187-W189 PolarHBondContact O-N 2.97Å
188D94.9Very high95.3Very high81 Ų8141.4 Ų41.443%0.43322%0.216SC..  trans-85.245.7-169.9-161.230.3000112.6Y186 N196Y186-D188 HydrophobicContact CD2-CB 4.4Å; Y186-D188 HydrophobicContact CE2-CB 3.6Å; Y186-D188 PolarHBondContact OH-O 3.48Å; D188-N196 PolarHBondContact O-N 2.65Å; D188-N196 PolarHBondContact OD1-ND2 2.88Å; D188-N196 VanDerWaalsContact OD2-CB 3.24Å; D188-N196 WeakPolarHBondContact OD2-CB 3.24Å
189W96.4Very high95.2Very high1 Ų142.2 Ų42.20%0.00422%0.218CC..  trans-130.893.6178.1-166.2-24000109.9L123 Y186 K187 G193 G194 P195 V201 R226 T229 F230 F271L123-W189 HydrophobicContact CD1-CZ3 4.36Å; L123-W189 HydrophobicContact CD2-CE3 4.25Å; L123-W189 HydrophobicContact CD2-CZ3 4.36Å; Y186-W189 HydrophobicContact CD1-CB 4.2Å; Y186-W189 HydrophobicContact CD1-CE3 4.02Å; Y186-W189 HydrophobicContact CE1-CB 3.85Å; Y186-W189 HydrophobicContact CE1-CD2 4.48Å; Y186-W189 AromaticContact CE1-CE3 3.94Å; Y186-W189 HydrophobicContact CE1-CE3 3.94Å; K187-W189 PolarHBondContact O-N 2.97Å; W189-G193 PolarHBondContact NE1-O 3.31Å; W189-G194 VanDerWaalsContact CD1-C 3.49Å; W189-P195 HydrophobicContact CB-CB 4.44Å; W189-P195 HydrophobicContact CD2-CB 3.74Å; W189-P195 HydrophobicContact CD2-CG 4.3Å; W189-P195 HydrophobicContact CE3-CB 3.91Å; W189-P195 HydrophobicContact CE3-CG 4.44Å; W189-P195 HydrophobicContact CG-CB 4Å; W189-P195 HydrophobicContact CH2-CG 4.42Å; W189-P195 HydrophobicContact CZ2-CG 4.29Å; W189-P195 HydrophobicContact CZ3-CB 4.4Å; W189-P195 HydrophobicContact CZ3-CG 4.49Å; W189-V201 HydrophobicContact CE3-CG2 4.22Å; W189-V201 HydrophobicContact CZ3-CG1 4.26Å; W189-V201 HydrophobicContact CZ3-CG2 4.02Å; W189-R226 HydrophobicContact CD2-CB 4.1Å; W189-R226 HydrophobicContact CD2-CG 4.03Å; W189-R226 HydrophobicContact CE3-CB 4.44Å; W189-R226 HydrophobicContact CG-CG 3.98Å; W189-R226 HydrophobicContact CZ2-CB 4.3Å; W189-R226 VanDerWaalsContact O-CZ 3.26Å; W189-R226 PolarHBondContact O-NE 2.9Å; W189-R226 PolarHBondContact O-NH1 2.85Å; W189-T229 HydrophobicContact CH2-CG2 3.96Å; W189-T229 HydrophobicContact CZ2-CG2 3.76Å; W189-F230 HydrophobicContact CH2-CB 4.45Å; W189-F230 HydrophobicContact CZ3-CB 4.38Å; W189-F271 HydrophobicContact CH2-CE1 4.17Å; W189-F271 HydrophobicContact CZ2-CD1 4.42Å; W189-F271 HydrophobicContact CZ2-CE1 4.42Å
190P92.7Very high95.2Very high49 Ų4941 Ų4132%0.31822%0.215SC..  trans-55.5146-179-27.334.2000114.3H192 G193 G194P190-H192 PolarHBondContact O-N 2.81Å; P190-G193 WeakPolarHBondContact O-CA 3.42Å; P190-G193 PolarHBondContact O-N 3.35Å; P190-G194 WeakPolarHBondContact CD-O 3.4Å
191D87.5Confident95.2Very high47 Ų4735.4 Ų35.425%0.25119%0.191SC..THydrogen-bonded Turntrans-61.8133.7174.6-152.724.8000112.3K133 G193 R226K133-D191 IonicContact NZ-OD2 3.89Å; K133-D191 PolarHBondContact NZ-OD2 3.35Å; D191-G193 PolarHBondContact O-N 3.36Å; D191-R226 VanDerWaalsContact CA-NH2 3.28Å; D191-R226 VanDerWaalsContact CG-NH2 3.27Å; D191-R226 IonicContact OD1-CZ 3.81Å; D191-R226 IonicContact OD1-NE 2.74Å; D191-R226 IonicContact OD1-NH2 3.92Å; D191-R226 PolarHBondContact OD1-NH2 2.79Å
192H85.7Confident95.2Very high104 Ų10435.5 Ų35.548%0.48119%0.191SC..THydrogen-bonded Turntrans5610.6-170.4-53.4-72.1000115.4P190 A265 I267P190-H192 PolarHBondContact O-N 2.81Å; H192-A265 HydrophobicContact CB-CB 4.31Å; H192-A265 VanDerWaalsContact O-CB 3.29Å; H192-A265 WeakPolarHBondContact O-CB 3.11Å; H192-I267 WeakPolarHBondContact O-CG2 3.42Å
193G92.4Very high95.1Very high15 Ų1537 Ų3716%0.15520%0.204CC..SBendtrans-100.5176.6174.200000113.3W189 P190 D191 Q268W189-G193 PolarHBondContact NE1-O 3.31Å; P190-G193 WeakPolarHBondContact O-CA 3.42Å; P190-G193 PolarHBondContact O-N 3.35Å; D191-G193 PolarHBondContact O-N 3.36Å; G193-Q268 WeakPolarHBondContact O-CG 3.4Å; G193-Q268 PolarHBondContact O-NE2 3.46Å
194G91.5Very high95.1Very high15 Ų1537 Ų3716%0.15520%0.204CC..  trans-85.1166.1160.700000110.8W189 P190W189-G194 VanDerWaalsContact CD1-C 3.49Å; P190-G194 WeakPolarHBondContact CD-O 3.4Å
195P96Very high95.1Very high13 Ų1337 Ų378%0.08420%0.204CC..  trans-66.2142.817330.2-32.9000110Y186 W189 C197 V201 F271Y186-P195 HydrophobicContact CE1-CB 3.77Å; W189-P195 HydrophobicContact CB-CB 4.44Å; W189-P195 HydrophobicContact CD2-CB 3.74Å; W189-P195 HydrophobicContact CD2-CG 4.3Å; W189-P195 HydrophobicContact CE3-CB 3.91Å; W189-P195 HydrophobicContact CE3-CG 4.44Å; W189-P195 HydrophobicContact CG-CB 4Å; W189-P195 HydrophobicContact CH2-CG 4.42Å; W189-P195 HydrophobicContact CZ2-CG 4.29Å; W189-P195 HydrophobicContact CZ3-CB 4.4Å; W189-P195 HydrophobicContact CZ3-CG 4.49Å; P195-C197 PolarHBondContact O-N 3.06Å; P195-V201 HydrophobicContact CB-CG2 3.56Å; P195-V201 HydrophobicContact CG-CG2 3.77Å; P195-F271 HydrophobicContact CG-CD1 4.04Å; P195-F271 HydrophobicContact CG-CD2 3.75Å; P195-F271 HydrophobicContact CG-CE1 3.58Å; P195-F271 HydrophobicContact CG-CE2 3.26Å; P195-F271 HydrophobicContact CG-CG 4.12Å; P195-F271 HydrophobicContact CG-CZ 3.18Å
196N94.1Very high94.9Very high102 Ų10239.2 Ų39.255%0.54522%0.215SC..SBendtrans-71.1-21.8-178.1-74.9-23.4000112.5D188D188-N196 PolarHBondContact O-N 2.65Å; D188-N196 PolarHBondContact OD1-ND2 2.88Å; D188-N196 VanDerWaalsContact OD2-CB 3.24Å; D188-N196 WeakPolarHBondContact OD2-CB 3.24Å
197C95.4Very high94.8Very high42 Ų4242.4 Ų42.428%0.28423%0.228SC..  trans-132.7112.7173.8-171.50000111.5Y186 P195 H199 V200Y186-C197 PolarHBondContact OH-N 2.88Å; P195-C197 PolarHBondContact O-N 3.06Å; C197-H199 VanDerWaalsContact C-N 3.33Å; C197-H199 PolarHBondContact O-N 3.29Å; C197-V200 HydrophobicContact CB-CB 4.2Å; C197-V200 HydrophobicContact CB-CG2 3.8Å; C197-V200 PolarHBondContact O-N 3.03Å
198T97Very high94.8Very high18 Ų1837.6 Ų37.611%0.1121%0.207CC..Hα-helixtrans-61.5-40.7176.9-53.10000111.9V200 V201 L202 F271 W274 A275 V278T198-V200 VanDerWaalsContact C-N 3.31Å; T198-V200 PolarHBondContact O-N 3.45Å; T198-V201 PolarHBondContact O-N 3.33Å; T198-L202 HydrophobicContact CG2-CD1 3.99Å; T198-L202 HydrophobicContact CG2-CG 4.28Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.15Å; T198-F271 HydrophobicContact CG2-CE2 3.9Å; T198-F271 HydrophobicContact CG2-CZ 4.4Å; T198-W274 VanDerWaalsContact OG1-CD1 3.3Å; T198-W274 PolarHBondContact OG1-NE1 3.32Å; T198-W274 VanDerWaalsContact OG1-NE1 3.09Å; T198-A275 HydrophobicContact CG2-CB 3.9Å; T198-V278 HydrophobicContact CG2-CB 4.26Å; T198-V278 HydrophobicContact CG2-CG1 4.27Å; T198-V278 HydrophobicContact CG2-CG2 4.35Å
199H95.9Very high94.9Very high108 Ų10836 Ų3650%0.520%0.198SC..Hα-helixtrans-59.3-41-179.5-63.391.1000112C197 V201 L202 S203 Q282C197-H199 VanDerWaalsContact C-N 3.33Å; C197-H199 PolarHBondContact O-N 3.29Å; H199-V201 PolarHBondContact O-N 3.11Å; H199-L202 PolarHBondContact O-N 3.39Å; H199-S203 WeakPolarHBondContact O-CB 3.47Å; H199-S203 PolarHBondContact O-N 2.92Å; H199-S203 PolarHBondContact O-OG 2.82Å; H199-Q282 PolarHBondContact CD2-NE2 2.93Å; H199-Q282 PolarHBondContact NE2-NE2 3.26Å
200V97.5Very high94.8Very high14 Ų1443.2 Ų43.29%0.08523%0.232CC..Hα-helixtrans-61.7-45.2178.4173.30000111.4F163 Y186 C197 T198 S203 I204F163-V200 HydrophobicContact CB-CG1 4.25Å; F163-V200 HydrophobicContact CD1-CG1 3.94Å; Y186-V200 HydrophobicContact CD2-CG1 3.55Å; Y186-V200 HydrophobicContact CE2-CB 4.11Å; Y186-V200 HydrophobicContact CE2-CG1 3.44Å; Y186-V200 VanDerWaalsContact CE2-CG1 3.44Å; Y186-V200 HydrophobicContact CG-CG1 4.26Å; C197-V200 HydrophobicContact CB-CB 4.2Å; C197-V200 HydrophobicContact CB-CG2 3.8Å; C197-V200 PolarHBondContact O-N 3.03Å; T198-V200 VanDerWaalsContact C-N 3.31Å; T198-V200 PolarHBondContact O-N 3.45Å; V200-S203 PolarHBondContact O-N 3.4Å; V200-I204 HydrophobicContact CG1-CD1 4.22Å; V200-I204 WeakPolarHBondContact O-CG1 3.4Å; V200-I204 PolarHBondContact O-N 3.45Å
201V98.3Very high94.8Very high0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-64.9-42.9177.9179.80000111.1Y186 W189 P195 T198 H199 I204 I205 F230 L233 F271Y186-V201 HydrophobicContact CD1-CG2 4.15Å; Y186-V201 HydrophobicContact CE1-CG2 3.63Å; W189-V201 HydrophobicContact CE3-CG2 4.22Å; W189-V201 HydrophobicContact CZ3-CG1 4.26Å; W189-V201 HydrophobicContact CZ3-CG2 4.02Å; P195-V201 HydrophobicContact CB-CG2 3.56Å; P195-V201 HydrophobicContact CG-CG2 3.77Å; T198-V201 PolarHBondContact O-N 3.33Å; H199-V201 PolarHBondContact O-N 3.11Å; V201-I204 PolarHBondContact O-N 3.4Å; V201-I205 HydrophobicContact CG1-CD1 4.23Å; V201-I205 WeakPolarHBondContact O-CG1 3.32Å; V201-I205 PolarHBondContact O-N 3.14Å; V201-F230 HydrophobicContact CG1-CD2 4.03Å; V201-F230 HydrophobicContact CG1-CE2 4.36Å; V201-L233 HydrophobicContact CG1-CD2 3.86Å; V201-F271 HydrophobicContact CB-CZ 4.38Å; V201-F271 HydrophobicContact CG1-CZ 4.35Å
202L97.6Very high95Very high3 Ų343.6 Ų43.62%0.01625%0.247CC..Hα-helixtrans-61.8-42.1175.3-68.3177000111.7T198 H199 I204 I205 E206 L233 I237 V278 Y279T198-L202 HydrophobicContact CG2-CD1 3.99Å; T198-L202 HydrophobicContact CG2-CG 4.28Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.15Å; H199-L202 PolarHBondContact O-N 3.39Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 2.91Å; L202-I205 CarbonylContact O-C 3.49Å; L202-I205 PolarHBondContact O-N 3.38Å; L202-I205 VanDerWaalsContact O-N 3.12Å; L202-E206 WeakPolarHBondContact O-CG 3.49Å; L202-E206 PolarHBondContact O-N 2.71Å; L202-L233 HydrophobicContact CD2-CD2 4.27Å; L202-I237 HydrophobicContact CD2-CD1 4.02Å; L202-I237 HydrophobicContact CD2-CG1 4.23Å; L202-V278 HydrophobicContact CD1-CB 4.37Å; L202-V278 HydrophobicContact CD1-CG1 3.82Å; L202-Y279 HydrophobicContact CD1-CD2 4.36Å; L202-Y279 HydrophobicContact CD2-CD2 3.96Å; L202-Y279 HydrophobicContact CD2-CG 4.44Å
203S96.1Very high95.3Very high56 Ų5639.1 Ų39.139%0.39223%0.226SC..Hα-helixtrans-62.2-37.5176.1-61.30000112.8H199 V200 K207H199-S203 WeakPolarHBondContact O-CB 3.47Å; H199-S203 PolarHBondContact O-N 2.92Å; H199-S203 PolarHBondContact O-OG 2.82Å; V200-S203 PolarHBondContact O-N 3.4Å; S203-K207 WeakPolarHBondContact O-CB 3.35Å; S203-K207 PolarHBondContact O-N 2.97Å
204I97.6Very high95.3Very high0 Ų047.4 Ų47.40%025%0.253CS..Hα-helixtrans-64.4-42.9173.5-65.4165.1000110.3V121 F163 I184 Y186 V200 V201 L202 K207 L208 F230V121-I204 HydrophobicContact CG1-CG2 4.42Å; F163-I204 HydrophobicContact CB-CD1 4.1Å; F163-I204 HydrophobicContact CD1-CD1 4.13Å; F163-I204 HydrophobicContact CD1-CG1 3.73Å; F163-I204 HydrophobicContact CD2-CD1 4.46Å; F163-I204 HydrophobicContact CD2-CG1 4.1Å; F163-I204 HydrophobicContact CE1-CG1 3.77Å; F163-I204 HydrophobicContact CE2-CG1 4.14Å; F163-I204 HydrophobicContact CG-CD1 3.99Å; F163-I204 HydrophobicContact CG-CG1 3.87Å; F163-I204 HydrophobicContact CZ-CG1 3.97Å; I184-I204 HydrophobicContact CD1-CG2 4.19Å; I184-I204 HydrophobicContact CG2-CD1 4.09Å; I184-I204 HydrophobicContact CG2-CG1 4.18Å; I184-I204 HydrophobicContact CG2-CG2 4.13Å; Y186-I204 HydrophobicContact CG-CD1 4.18Å; V200-I204 HydrophobicContact CG1-CD1 4.22Å; V200-I204 WeakPolarHBondContact O-CG1 3.4Å; V200-I204 PolarHBondContact O-N 3.45Å; V201-I204 PolarHBondContact O-N 3.4Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 2.91Å; I204-K207 PolarHBondContact O-N 2.76Å; I204-L208 WeakPolarHBondContact O-CB 3.23Å; I204-L208 PolarHBondContact O-N 3.25Å; I204-F230 HydrophobicContact CB-CE2 4.27Å; I204-F230 HydrophobicContact CG2-CE2 3.72Å; I204-F230 HydrophobicContact CG2-CZ 3.77Å
205I98Very high95.6Very high1 Ų147 Ų471%0.00525%0.248CC..Hα-helixtrans-65.6-44.3178-66.9174.6000110.9V201 L202 K207 L208 I209 F230 L233 V234 I237V201-I205 HydrophobicContact CG1-CD1 4.23Å; V201-I205 WeakPolarHBondContact O-CG1 3.32Å; V201-I205 PolarHBondContact O-N 3.14Å; L202-I205 CarbonylContact O-C 3.49Å; L202-I205 PolarHBondContact O-N 3.38Å; L202-I205 VanDerWaalsContact O-N 3.12Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 2.71Å; I205-L208 WeakPolarHBondContact O-CB 3.14Å; I205-L208 PolarHBondContact O-N 3.46Å; I205-I209 HydrophobicContact CG2-CD1 3.74Å; I205-I209 HydrophobicContact CG2-CG1 4.37Å; I205-I209 WeakPolarHBondContact O-CG1 3.11Å; I205-I209 PolarHBondContact O-N 3.21Å; I205-F230 HydrophobicContact CD1-CE2 4.34Å; I205-F230 HydrophobicContact CG1-CD2 4.4Å; I205-F230 HydrophobicContact CG1-CE2 3.68Å; I205-F230 HydrophobicContact CG1-CZ 3.86Å; I205-L233 HydrophobicContact CD1-CB 3.94Å; I205-L233 HydrophobicContact CD1-CD2 3.64Å; I205-L233 HydrophobicContact CD1-CG 3.53Å; I205-V234 HydrophobicContact CD1-CG2 4.01Å; I205-V234 HydrophobicContact CG1-CG2 3.78Å; I205-V234 HydrophobicContact CG2-CG2 4.13Å; I205-I237 HydrophobicContact CD1-CG1 4.44Å; I205-I237 HydrophobicContact CG2-CB 4.11Å; I205-I237 HydrophobicContact CG2-CG1 4.12Å; I205-I237 HydrophobicContact CG2-CG2 4.01Å
206E95.3Very high95.8Very high52 Ų5246.4 Ų46.424%0.24324%0.244CC..Hα-helixtrans-59.5-46.3175.1-73.6-168151.500110.4L202 L208 I209 H210 Y279 K283L202-E206 WeakPolarHBondContact O-CG 3.49Å; L202-E206 PolarHBondContact O-N 2.71Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.47Å; E206-I209 PolarHBondContact O-N 2.96Å; E206-H210 WeakPolarHBondContact O-CB 2.82Å; E206-H210 PolarHBondContact O-N 2.93Å; E206-H210 PolarHBondContact O-ND1 2.02Å; E206-Y279 HydrophobicContact CG-CE2 4.3Å; E206-K283 IonicContact OE1-NZ 2.72Å; E206-K283 PolarHBondContact OE1-NZ 3.09Å
207K95.2Very high96Very high68 Ų6841.5 Ų41.530%0.29622%0.218SC..Hα-helixtrans-58.7-42.9175.4178.8169.6168.359.80112.4F163 E182 I184 S203 I204 I205 H210 S211F163-K207 HydrophobicContact CE2-CD 4.44Å; F163-K207 HydrophobicContact CZ-CD 4.31Å; E182-K207 WeakPolarHBondContact OE1-CE 3.4Å; E182-K207 IonicContact OE1-NZ 3.4Å; E182-K207 PolarHBondContact OE1-NZ 2.88Å; E182-K207 WeakPolarHBondContact OE2-CE 3.28Å; E182-K207 IonicContact OE2-NZ 3.95Å; E182-K207 PolarHBondContact OE2-NZ 3.13Å; I184-K207 HydrophobicContact CD1-CD 4.31Å; S203-K207 WeakPolarHBondContact O-CB 3.35Å; S203-K207 PolarHBondContact O-N 2.97Å; I204-K207 PolarHBondContact O-N 2.76Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 2.71Å; K207-H210 PolarHBondContact O-N 3.37Å; K207-S211 VanDerWaalsContact O-CB 3.3Å; K207-S211 WeakPolarHBondContact O-CB 3.37Å; K207-S211 PolarHBondContact O-N 2.96Å; K207-S211 PolarHBondContact O-OG 3.44Å
208L96.5Very high96.2Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-60-48175.6-173.1160.9000110.9P91 F94 M119 I204 I205 E206 S211 G212 P213 T216 F230P91-L208 HydrophobicContact CB-CD2 4.07Å; P91-L208 HydrophobicContact CG-CD2 3.31Å; F94-L208 HydrophobicContact CE1-CD1 3.71Å; F94-L208 HydrophobicContact CE1-CD2 4.47Å; F94-L208 HydrophobicContact CZ-CD1 3.97Å; F94-L208 HydrophobicContact CZ-CD2 3.91Å; M119-L208 HydrophobicContact SD-CB 4.15Å; M119-L208 HydrophobicContact SD-CD1 4.21Å; M119-L208 HydrophobicContact SD-CG 4.05Å; I204-L208 WeakPolarHBondContact O-CB 3.23Å; I204-L208 PolarHBondContact O-N 3.25Å; I205-L208 WeakPolarHBondContact O-CB 3.14Å; I205-L208 PolarHBondContact O-N 3.46Å; E206-L208 VanDerWaalsContact C-N 3.32Å; E206-L208 PolarHBondContact O-N 3.47Å; L208-S211 PolarHBondContact O-N 3.45Å; L208-S211 PolarHBondContact O-OG 3.32Å; L208-S211 VanDerWaalsContact O-OG 3.12Å; L208-G212 PolarHBondContact O-N 2.92Å; L208-G212 VanDerWaalsContact O-N 3.07Å; L208-P213 HydrophobicContact CD2-CG 4.29Å; L208-P213 HydrophobicContact CG-CG 4.13Å; L208-P213 WeakPolarHBondContact O-CD 3.49Å; L208-T216 HydrophobicContact CD1-CG2 3.85Å; L208-F230 HydrophobicContact CD1-CE1 4.21Å; L208-F230 HydrophobicContact CD1-CZ 4.36Å
209I96.3Very high96.2Very high47 Ų4738.7 Ų38.724%0.24120%0.199CC..Hα-helixtrans-63.4-45.4179.7-68.1168000111.2P91 I205 E206 G212 I237 T238P91-I209 HydrophobicContact CB-CG1 4.49Å; P91-I209 HydrophobicContact CG-CG1 4.35Å; I205-I209 HydrophobicContact CG2-CD1 3.74Å; I205-I209 HydrophobicContact CG2-CG1 4.37Å; I205-I209 WeakPolarHBondContact O-CG1 3.11Å; I205-I209 PolarHBondContact O-N 3.21Å; E206-I209 PolarHBondContact O-N 2.96Å; I209-G212 PolarHBondContact O-N 3.04Å; I209-I237 HydrophobicContact CD1-CG2 3.72Å; I209-T238 HydrophobicContact CD1-CG2 4.29Å
210H94.5Very high96.3Very high154 Ų15433.7 Ų33.771%0.71318%0.176SC*.Hα-helixtrans-68.8-36.2-179.4-69.6104.2000113E206 K207 G212E206-H210 WeakPolarHBondContact O-CB 2.82Å; E206-H210 PolarHBondContact O-N 2.93Å; E206-H210 PolarHBondContact O-ND1 2.02Å; K207-H210 PolarHBondContact O-N 3.37Å; H210-G212 VanDerWaalsContact C-N 3.34Å
211S92.7Very high96.3Very high60 Ų6033.2 Ų33.242%0.4217%0.173SC..Hα-helixtrans-74.7-24.717854.30000113M119 K207 L208M119-S211 WeakPolarHBondContact CE-OG 3.37Å; K207-S211 VanDerWaalsContact O-CB 3.3Å; K207-S211 WeakPolarHBondContact O-CB 3.37Å; K207-S211 PolarHBondContact O-N 2.96Å; K207-S211 PolarHBondContact O-OG 3.44Å; L208-S211 PolarHBondContact O-N 3.45Å; L208-S211 PolarHBondContact O-OG 3.32Å; L208-S211 VanDerWaalsContact O-OG 3.12Å
212G91.1Very high96.1Very high44 Ų4433.7 Ų33.745%0.45418%0.178SC..  trans53.353178.400000113.4L208 I209 H210L208-G212 PolarHBondContact O-N 2.92Å; L208-G212 VanDerWaalsContact O-N 3.07Å; I209-G212 PolarHBondContact O-N 3.04Å; H210-G212 VanDerWaalsContact C-N 3.34Å
213P92Very high96Very high9 Ų933.6 Ų33.66%0.05818%0.177CC..  trans-57.3153.1-179.522.3-29.7000111C92 D118 M119 L208 T216C92-P213 HydrophobicContact CB-CG 4.02Å; C92-P213 WeakPolarHBondContact CB-O 3.31Å; D118-P213 WeakPolarHBondContact OD1-CA 3.44Å; D118-P213 WeakPolarHBondContact OD1-CB 3.48Å; M119-P213 HydrophobicContact CB-CB 4.21Å; M119-P213 HydrophobicContact CB-CG 4.45Å; L208-P213 HydrophobicContact CD2-CG 4.29Å; L208-P213 HydrophobicContact CG-CG 4.13Å; L208-P213 WeakPolarHBondContact O-CD 3.49Å; P213-T216 WeakPolarHBondContact CG-OG1 3.45Å
214R93Very high96Very high190 Ų19031 Ų3172%0.71716%0.159SC*.SBendtrans-71.4-41.2171.7-61.6-176.8-169.6-179.14.6110.4V93 D118V93-R214 PolarHBondContact N-O 3.01Å; D118-R214 VanDerWaalsContact CG-N 3.34Å; D118-R214 PolarHBondContact OD1-N 3.22Å; D118-R214 VanDerWaalsContact OD1-N 3.15Å; D118-R214 WeakPolarHBondContact OD2-CB 3.1Å; D118-R214 PolarHBondContact OD2-N 2.98Å
215C98.4Very high96Very high6 Ų631 Ų314%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-149126.4179.8-174.60000111.9V93 V117 D118 M119V93-C215 HydrophobicContact CB-CB 4.42Å; V93-C215 CarbonylContact O-C 3.46Å; V93-C215 VanDerWaalsContact O-CA 3.25Å; V93-C215 WeakPolarHBondContact O-CA 3.36Å; V93-C215 PolarHBondContact O-SG 3.05Å; V117-C215 WeakPolarHBondContact CA-O 3.38Å; V117-C215 HydrophobicContact CG2-CB 4.4Å; D118-C215 PolarHBondContact N-O 2.86Å; D118-C215 VanDerWaalsContact N-O 3.11Å; D118-C215 PolarHBondContact OD1-N 3.03Å; D118-C215 VanDerWaalsContact OD1-N 3.14Å; M119-C215 PolarHBondContact N-O 2.68Å
216T98.8Very high96Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-109.4120.3176.3-550000111.1C92 V93 F94 I95 M119 V121 L208 P213 V218C92-T216 PolarHBondContact SG-OG1 3.35Å; V93-T216 PolarHBondContact O-N 3.45Å; F94-T216 CarbonylContact C-O 3.54Å; F94-T216 WeakPolarHBondContact CA-O 3.25Å; F94-T216 HydrophobicContact CD1-CG2 4.47Å; F94-T216 HydrophobicContact CE1-CG2 4.31Å; I95-T216 PolarHBondContact N-O 3.49Å; M119-T216 HydrophobicContact CB-CG2 4.08Å; M119-T216 HydrophobicContact CG-CG2 4.05Å; M119-T216 CarbonylContact O-C 3.56Å; M119-T216 VanDerWaalsContact O-CA 3.28Å; M119-T216 WeakPolarHBondContact O-CA 2.94Å; M119-T216 HydrophobicContact SD-CG2 4.26Å; V121-T216 HydrophobicContact CG2-CG2 3.9Å; L208-T216 HydrophobicContact CD1-CG2 3.85Å; P213-T216 WeakPolarHBondContact CG-OG1 3.45Å; T216-V218 HydrophobicContact CG2-CG2 3.93Å
217L98.8Very high96.1Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-90.4121.5169.1-173.2153.4000109.4I95 A97 F108 I111 V112 V117 M119 I120 V121 H219I95-L217 HydrophobicContact CB-CB 4.3Å; I95-L217 HydrophobicContact CB-CD1 4.5Å; I95-L217 HydrophobicContact CB-CG 4.2Å; I95-L217 HydrophobicContact CG2-CD1 4.08Å; I95-L217 HydrophobicContact CG2-CG 4.09Å; I95-L217 CarbonylContact O-C 3.51Å; I95-L217 WeakPolarHBondContact O-CA 3.33Å; A97-L217 HydrophobicContact CB-CD1 4.26Å; A97-L217 HydrophobicContact CB-CD2 4.02Å; A97-L217 HydrophobicContact CB-CG 4.14Å; F108-L217 HydrophobicContact CE2-CD1 4.12Å; F108-L217 HydrophobicContact CE2-CD2 3.62Å; F108-L217 HydrophobicContact CZ-CD1 4.37Å; F108-L217 HydrophobicContact CZ-CD2 3.71Å; I111-L217 HydrophobicContact CG2-CD1 4.37Å; V112-L217 HydrophobicContact CG2-CD1 3.97Å; V117-L217 HydrophobicContact CG1-CB 3.81Å; V117-L217 HydrophobicContact CG2-CB 4.11Å; M119-L217 PolarHBondContact O-N 2.89Å; I120-L217 CarbonylContact C-O 3.54Å; I120-L217 VanDerWaalsContact CA-O 3.29Å; I120-L217 WeakPolarHBondContact CA-O 3.27Å; I120-L217 HydrophobicContact CG2-CD2 4.16Å; V121-L217 PolarHBondContact N-O 3.37Å; L217-H219 HydrophobicContact CD2-CB 4.15Å
218V98.9Very high96.3Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-113.4128.2176.6-172.60000108.4F94 I95 A97 V121 L123 T216 T227 F230 I231F94-V218 HydrophobicContact CD1-CG2 4.02Å; F94-V218 HydrophobicContact CE1-CG2 4.39Å; I95-V218 PolarHBondContact O-N 2.8Å; A97-V218 PolarHBondContact N-O 3.37Å; V121-V218 HydrophobicContact CB-CB 4.49Å; V121-V218 HydrophobicContact CB-CG1 4.22Å; V121-V218 HydrophobicContact CB-CG2 4.21Å; V121-V218 HydrophobicContact CG1-CG1 4.41Å; V121-V218 HydrophobicContact CG2-CG2 4.49Å; V121-V218 WeakPolarHBondContact O-CA 3.44Å; L123-V218 HydrophobicContact CD1-CG1 3.65Å; L123-V218 HydrophobicContact CG-CG1 4.28Å; T216-V218 HydrophobicContact CG2-CG2 3.93Å; V218-T227 HydrophobicContact CB-CG2 4.05Å; V218-T227 HydrophobicContact CG1-CG2 3.94Å; V218-T227 VanDerWaalsContact O-CG2 3.23Å; V218-T227 WeakPolarHBondContact O-CG2 2.94Å; V218-F230 HydrophobicContact CG1-CB 4.44Å; V218-F230 HydrophobicContact CG1-CD1 3.81Å; V218-F230 HydrophobicContact CG1-CE1 4.47Å; V218-F230 HydrophobicContact CG1-CG 4.32Å; V218-F230 HydrophobicContact CG2-CD1 3.95Å; V218-F230 HydrophobicContact CG2-CE1 4Å; V218-I231 HydrophobicContact CB-CD1 4.24Å; V218-I231 HydrophobicContact CB-CG1 4.35Å; V218-I231 HydrophobicContact CG2-CD1 4.37Å; V218-I231 HydrophobicContact CG2-CG1 4.16Å
219H98.6Very high96.4Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-139154.5176.181.489.7000111.9A97 V121 C122 L123 Y137 L217 T227A97-H219 HydrophobicContact CB-CB 4.21Å; A97-H219 WeakPolarHBondContact O-CA 3.41Å; A97-H219 WeakPolarHBondContact O-CB 3.23Å; V121-H219 PolarHBondContact O-N 3.04Å; C122-H219 WeakPolarHBondContact CB-NE2 3.32Å; C122-H219 PolarHBondContact SG-CE1 3.01Å; L123-H219 PolarHBondContact N-O 3.45Å; Y137-H219 AromaticContact CE1-CE1 3.67Å; Y137-H219 AromaticContact CE1-NE2 3.36Å; Y137-H219 WeakPolarHBondContact CE1-NE2 3.49Å; Y137-H219 AromaticContact CZ-NE2 3.39Å; Y137-H219 PolarHBondContact OH-NE2 2.93Å; L217-H219 HydrophobicContact CD2-CB 4.15Å; H219-T227 VanDerWaalsContact C-OG1 3.26Å; H219-T227 WeakPolarHBondContact CA-OG1 3.48Å
220C97.2Very high96.5Very high4 Ų423.1 Ų23.13%0.02712%0.123CC..  trans-126.3-134.8164.264.20000106.4A99 L123 G223 R226 T227A99-C220 WeakPolarHBondContact CB-O 3.37Å; A99-C220 PolarHBondContact N-O 3.34Å; L123-C220 HydrophobicContact CB-CB 4.18Å; C220-G223 PolarHBondContact SG-N 3.04Å; C220-G223 VanDerWaalsContact SG-N 3.37Å; C220-R226 HydrophobicContact CB-CB 3.94Å; C220-R226 HydrophobicContact CB-CG 4.45Å; C220-T227 PolarHBondContact N-OG1 2.78Å; C220-T227 PolarHBondContact SG-OG1 2.79Å; C220-T227 VanDerWaalsContact SG-OG1 3.37Å
221S96.7Very high96.7Very high3 Ų315.8 Ų15.82%0.0219%0.089CC..SBendtrans-79.7-63.6170.3-1660000112.5Y57 M98 A99 K133Y57-S221 PolarHBondContact OH-OG 3Å; M98-S221 VanDerWaalsContact CG-O 3.26Å; M98-S221 WeakPolarHBondContact CG-O 3.37Å; A99-S221 PolarHBondContact N-O 2.9Å; K133-S221 WeakPolarHBondContact CA-OG 3.26Å; K133-S221 WeakPolarHBondContact O-CA 3.4Å; K133-S221 WeakPolarHBondContact O-CB 3.46Å; K133-S221 PolarHBondContact O-OG 2.85Å
222A94.7Very high97Very high11 Ų1113 Ų139%0.0917%0.069CC..SBendtrans-84.9-12-179.500000114Y57 V60 I224 R259Y57-A222 HydrophobicContact CD2-CB 3.58Å; Y57-A222 HydrophobicContact CE2-CB 3.67Å; V60-A222 HydrophobicContact CG2-CB 4.17Å; A222-I224 VanDerWaalsContact C-N 3.33Å; A222-I224 HydrophobicContact CB-CD1 4.37Å; A222-I224 HydrophobicContact CB-CG1 3.77Å; A222-I224 PolarHBondContact O-N 2.92Å; A222-R259 PolarHBondContact O-NH2 2.89Å
223G96.4Very high97.4Very high0 Ų010.9 Ų10.90%05%0.047CC..SBendtrans71.123-177.200000114.9A97 C220 R259A97-G223 WeakPolarHBondContact O-CA 3.23Å; C220-G223 PolarHBondContact SG-N 3.04Å; C220-G223 VanDerWaalsContact SG-N 3.37Å; G223-R259 PolarHBondContact O-NE 3.3Å
224I95.8Very high97.7Very high2 Ų210.4 Ų10.41%0.014%0.044CC..SBendtrans-129.8-50.3-176.454.3167.4000113.9V60 A222 G228 R259 W261 A262 V263 Q264V60-I224 HydrophobicContact CB-CD1 4.48Å; V60-I224 HydrophobicContact CG1-CD1 3.86Å; V60-I224 HydrophobicContact CG1-CG1 4.31Å; V60-I224 HydrophobicContact CG1-CG2 3.92Å; V60-I224 HydrophobicContact CG2-CD1 3.84Å; A222-I224 VanDerWaalsContact C-N 3.33Å; A222-I224 HydrophobicContact CB-CD1 4.37Å; A222-I224 HydrophobicContact CB-CG1 3.77Å; A222-I224 PolarHBondContact O-N 2.92Å; I224-G228 VanDerWaalsContact O-CA 3.28Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.36Å; I224-R259 HydrophobicContact CG2-CG 3.93Å; I224-W261 HydrophobicContact CD1-CB 4.28Å; I224-A262 VanDerWaalsContact O-CA 3.31Å; I224-A262 WeakPolarHBondContact O-CA 3.45Å; I224-V263 PolarHBondContact O-N 3.26Å; I224-Q264 HydrophobicContact CD1-CG 3.81Å; I224-Q264 VanDerWaalsContact CG1-CD 3.5Å; I224-Q264 HydrophobicContact CG1-CG 4Å
225G96.5Very high98Very high1 Ų12 Ų21%0.011%0.013CC..Hα-helixtrans-65.9-80.9-178.200000112.8G228 T229G225-G228 PolarHBondContact O-N 2.98Å; G225-T229 WeakPolarHBondContact O-CB 3.48Å; G225-T229 PolarHBondContact O-N 3.35Å; G225-T229 PolarHBondContact O-OG1 2.7Å
226R98.4Very high98Very high1 Ų11.7 Ų1.70%0.0041%0.011CC..Hα-helixtrans-63.2-44.5-179.7-53.8173.2-138174.51.6111.9L123 T124 E128 W189 D191 C220 G228 T229 F230L123-R226 HydrophobicContact CB-CB 4.11Å; L123-R226 HydrophobicContact CD1-CB 4.18Å; L123-R226 WeakPolarHBondContact O-CD 3.39Å; L123-R226 PolarHBondContact O-NH1 3.43Å; T124-R226 PolarHBondContact OG1-NH1 3.25Å; E128-R226 IonicContact OE1-CZ 3.79Å; E128-R226 IonicContact OE1-NH1 2.73Å; E128-R226 PolarHBondContact OE1-NH1 3.24Å; E128-R226 IonicContact OE1-NH2 3.43Å; E128-R226 IonicContact OE2-CZ 3.63Å; E128-R226 IonicContact OE2-NH1 2.8Å; E128-R226 PolarHBondContact OE2-NH1 2.78Å; E128-R226 IonicContact OE2-NH2 3.62Å; E128-R226 PolarHBondContact OE2-NH2 2.88Å; W189-R226 HydrophobicContact CD2-CB 4.1Å; W189-R226 HydrophobicContact CD2-CG 4.03Å; W189-R226 HydrophobicContact CE3-CB 4.44Å; W189-R226 HydrophobicContact CG-CG 3.98Å; W189-R226 HydrophobicContact CZ2-CB 4.3Å; W189-R226 VanDerWaalsContact O-CZ 3.26Å; W189-R226 PolarHBondContact O-NE 2.9Å; W189-R226 PolarHBondContact O-NH1 2.85Å; D191-R226 VanDerWaalsContact CA-NH2 3.28Å; D191-R226 VanDerWaalsContact CG-NH2 3.27Å; D191-R226 IonicContact OD1-CZ 3.81Å; D191-R226 IonicContact OD1-NE 2.74Å; D191-R226 IonicContact OD1-NH2 3.92Å; D191-R226 PolarHBondContact OD1-NH2 2.79Å; C220-R226 HydrophobicContact CB-CB 3.94Å; C220-R226 HydrophobicContact CB-CG 4.45Å; R226-G228 PolarHBondContact O-N 3.43Å; R226-T229 PolarHBondContact O-N 3.02Å; R226-F230 WeakPolarHBondContact O-CB 3.08Å; R226-F230 PolarHBondContact O-N 2.79Å
227T98.7Very high97.9Very high0 Ų01.7 Ų1.70%01%0.011CC..Hα-helixtrans-54.7-52.4175.2-59.90000112.3A96 V218 H219 C220 T229 F230 I231A96-T227 HydrophobicContact CB-CG2 3.66Å; V218-T227 HydrophobicContact CB-CG2 4.05Å; V218-T227 HydrophobicContact CG1-CG2 3.94Å; V218-T227 VanDerWaalsContact O-CG2 3.23Å; V218-T227 WeakPolarHBondContact O-CG2 2.94Å; H219-T227 VanDerWaalsContact C-OG1 3.26Å; H219-T227 WeakPolarHBondContact CA-OG1 3.48Å; C220-T227 PolarHBondContact N-OG1 2.78Å; C220-T227 PolarHBondContact SG-OG1 2.79Å; C220-T227 VanDerWaalsContact SG-OG1 3.37Å; T227-T229 VanDerWaalsContact C-N 3.3Å; T227-T229 PolarHBondContact O-N 3.36Å; T227-F230 PolarHBondContact O-N 3.39Å; T227-I231 HydrophobicContact CG2-CD1 4Å; T227-I231 WeakPolarHBondContact O-CG1 3.39Å; T227-I231 PolarHBondContact O-N 2.86Å
228G98.4Very high97.8Very high1 Ų12.2 Ų2.21%0.012%0.015CC..Hα-helixtrans-64.4-36.8178.800000112.3I224 G225 R226 A232I224-G228 VanDerWaalsContact O-CA 3.28Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.36Å; G225-G228 PolarHBondContact O-N 2.98Å; R226-G228 PolarHBondContact O-N 3.43Å; G228-A232 WeakPolarHBondContact O-CB 3.49Å; G228-A232 PolarHBondContact O-N 3.21Å
229T98.7Very high97.7Very high0 Ų03.3 Ų3.30%02%0.02CC..Hα-helixtrans-66.2-43.7177.1-50.60000111.5W189 G225 R226 T227 L233 Q268 F271 L272W189-T229 HydrophobicContact CH2-CG2 3.96Å; W189-T229 HydrophobicContact CZ2-CG2 3.76Å; G225-T229 WeakPolarHBondContact O-CB 3.48Å; G225-T229 PolarHBondContact O-N 3.35Å; G225-T229 PolarHBondContact O-OG1 2.7Å; R226-T229 PolarHBondContact O-N 3.02Å; T227-T229 VanDerWaalsContact C-N 3.3Å; T227-T229 PolarHBondContact O-N 3.36Å; T229-L233 WeakPolarHBondContact O-CB 3.36Å; T229-L233 PolarHBondContact O-N 3.27Å; T229-Q268 HydrophobicContact CG2-CB 4.14Å; T229-Q268 WeakPolarHBondContact OG1-CB 3.36Å; T229-F271 HydrophobicContact CG2-CD1 3.75Å; T229-F271 HydrophobicContact CG2-CE1 4.31Å; T229-L272 HydrophobicContact CG2-CD2 3.87Å; T229-L272 HydrophobicContact CG2-CG 4.18Å; T229-L272 WeakPolarHBondContact O-CD2 3.31Å
230F98.8Very high97.5Very high0 Ų03.5 Ų3.50%02%0.021CC..Hα-helixtrans-61.7-49.6176.4179.1-90.2000111.4V121 L123 W189 V201 I204 I205 L208 V218 R226 T227 A232 L233 V234V121-F230 HydrophobicContact CG1-CE2 4.48Å; V121-F230 HydrophobicContact CG1-CZ 4.31Å; L123-F230 HydrophobicContact CD1-CB 3.57Å; L123-F230 HydrophobicContact CD1-CD2 4.4Å; L123-F230 HydrophobicContact CD1-CG 3.99Å; L123-F230 HydrophobicContact CD2-CD2 4.3Å; W189-F230 HydrophobicContact CH2-CB 4.45Å; W189-F230 HydrophobicContact CZ3-CB 4.38Å; V201-F230 HydrophobicContact CG1-CD2 4.03Å; V201-F230 HydrophobicContact CG1-CE2 4.36Å; I204-F230 HydrophobicContact CB-CE2 4.27Å; I204-F230 HydrophobicContact CG2-CE2 3.72Å; I204-F230 HydrophobicContact CG2-CZ 3.77Å; I205-F230 HydrophobicContact CD1-CE2 4.34Å; I205-F230 HydrophobicContact CG1-CD2 4.4Å; I205-F230 HydrophobicContact CG1-CE2 3.68Å; I205-F230 HydrophobicContact CG1-CZ 3.86Å; L208-F230 HydrophobicContact CD1-CE1 4.21Å; L208-F230 HydrophobicContact CD1-CZ 4.36Å; V218-F230 HydrophobicContact CG1-CB 4.44Å; V218-F230 HydrophobicContact CG1-CD1 3.81Å; V218-F230 HydrophobicContact CG1-CE1 4.47Å; V218-F230 HydrophobicContact CG1-CG 4.32Å; V218-F230 HydrophobicContact CG2-CD1 3.95Å; V218-F230 HydrophobicContact CG2-CE1 4Å; R226-F230 WeakPolarHBondContact O-CB 3.08Å; R226-F230 PolarHBondContact O-N 2.79Å; T227-F230 PolarHBondContact O-N 3.39Å; F230-A232 PolarHBondContact O-N 2.7Å; F230-L233 PolarHBondContact O-N 3.05Å; F230-V234 HydrophobicContact CD1-CG2 4.19Å; F230-V234 HydrophobicContact CE1-CG2 3.82Å; F230-V234 HydrophobicContact CZ-CG2 4.2Å; F230-V234 WeakPolarHBondContact O-CG2 3.41Å; F230-V234 PolarHBondContact O-N 3.09Å
231I98.8Very high97.4Very high0 Ų07.1 Ų7.10%04%0.04CC..Hα-helixtrans-65.5-41-179.6-63.2170.8000111.2I85 F87 F94 A96 V218 T227 L233 V234 M235 V255I85-I231 HydrophobicContact CB-CG2 4.33Å; I85-I231 HydrophobicContact CG1-CD1 4.03Å; I85-I231 HydrophobicContact CG2-CG2 3.92Å; F87-I231 HydrophobicContact CE1-CG2 3.88Å; F94-I231 HydrophobicContact CB-CD1 4.33Å; F94-I231 HydrophobicContact CD1-CD1 4.47Å; F94-I231 HydrophobicContact CD1-CG1 4.1Å; F94-I231 HydrophobicContact CG-CG2 4.42Å; A96-I231 HydrophobicContact CB-CD1 3.87Å; V218-I231 HydrophobicContact CB-CD1 4.24Å; V218-I231 HydrophobicContact CB-CG1 4.35Å; V218-I231 HydrophobicContact CG2-CD1 4.37Å; V218-I231 HydrophobicContact CG2-CG1 4.16Å; T227-I231 HydrophobicContact CG2-CD1 4Å; T227-I231 WeakPolarHBondContact O-CG1 3.39Å; T227-I231 PolarHBondContact O-N 2.86Å; I231-L233 VanDerWaalsContact C-N 3.29Å; I231-L233 PolarHBondContact O-N 3.45Å; I231-V234 WeakPolarHBondContact O-CB 3.15Å; I231-V234 PolarHBondContact O-N 2.86Å; I231-M235 PolarHBondContact O-N 2.7Å; I231-V255 HydrophobicContact CG2-CG2 4.14Å
232A98.7Very high97.2Very high0 Ų09.5 Ų9.50%06%0.059CC..Hα-helixtrans-61-40.517400000111.2G228 F230 M235 L236 A251 V252 V255 V263 L272G228-A232 WeakPolarHBondContact O-CB 3.49Å; G228-A232 PolarHBondContact O-N 3.21Å; F230-A232 PolarHBondContact O-N 2.7Å; A232-M235 WeakPolarHBondContact O-CB 3.27Å; A232-M235 PolarHBondContact O-N 2.92Å; A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.25Å; A232-A251 HydrophobicContact CB-CB 4.46Å; A232-V252 HydrophobicContact CB-CG2 4.31Å; A232-V255 HydrophobicContact CB-CG2 4.13Å; A232-V263 HydrophobicContact CB-CG2 4.48Å; A232-L272 HydrophobicContact CB-CD1 4.02Å; A232-L272 HydrophobicContact CB-CD2 4.05Å
233L98.8Very high97.1Very high0 Ų010.6 Ų10.60%07%0.072CC..Hα-helixtrans-65.2-41.7175.8-174.656.9000111.8V201 L202 I205 T229 F230 I231 M235 L236 I237 F271 L272 A275V201-L233 HydrophobicContact CG1-CD2 3.86Å; L202-L233 HydrophobicContact CD2-CD2 4.27Å; I205-L233 HydrophobicContact CD1-CB 3.94Å; I205-L233 HydrophobicContact CD1-CD2 3.64Å; I205-L233 HydrophobicContact CD1-CG 3.53Å; T229-L233 WeakPolarHBondContact O-CB 3.36Å; T229-L233 PolarHBondContact O-N 3.27Å; F230-L233 PolarHBondContact O-N 3.05Å; I231-L233 VanDerWaalsContact C-N 3.29Å; I231-L233 PolarHBondContact O-N 3.45Å; L233-M235 VanDerWaalsContact C-N 3.26Å; L233-M235 PolarHBondContact O-N 3.06Å; L233-L236 HydrophobicContact CD1-CD1 4.42Å; L233-L236 PolarHBondContact O-N 2.97Å; L233-L236 VanDerWaalsContact O-N 3.15Å; L233-I237 HydrophobicContact CD1-CD1 4Å; L233-I237 HydrophobicContact CD1-CG1 4.23Å; L233-I237 HydrophobicContact CG-CG1 4.28Å; L233-I237 VanDerWaalsContact O-CG1 3.3Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 2.77Å; L233-F271 HydrophobicContact CD2-CE1 3.78Å; L233-F271 HydrophobicContact CD2-CZ 3.93Å; L233-L272 HydrophobicContact CB-CD2 3.77Å; L233-L272 HydrophobicContact CD1-CD2 4.47Å; L233-A275 HydrophobicContact CD1-CB 3.58Å; L233-A275 HydrophobicContact CD2-CB 3.67Å; L233-A275 HydrophobicContact CG-CB 4.3Å
234V98.7Very high97.1Very high0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-54.1-47.6173.4175.40000110.2F87 P91 F94 I205 F230 I231 L236 I237 T238F87-V234 HydrophobicContact CZ-CG1 4.07Å; P91-V234 HydrophobicContact CG-CG1 4.24Å; F94-V234 HydrophobicContact CE1-CG2 4.5Å; F94-V234 HydrophobicContact CE2-CG1 4.22Å; F94-V234 HydrophobicContact CZ-CB 4.38Å; F94-V234 HydrophobicContact CZ-CG1 3.78Å; F94-V234 HydrophobicContact CZ-CG2 4.34Å; I205-V234 HydrophobicContact CD1-CG2 4.01Å; I205-V234 HydrophobicContact CG1-CG2 3.78Å; I205-V234 HydrophobicContact CG2-CG2 4.13Å; F230-V234 HydrophobicContact CD1-CG2 4.19Å; F230-V234 HydrophobicContact CE1-CG2 3.82Å; F230-V234 HydrophobicContact CZ-CG2 4.2Å; F230-V234 WeakPolarHBondContact O-CG2 3.41Å; F230-V234 PolarHBondContact O-N 3.09Å; I231-V234 WeakPolarHBondContact O-CB 3.15Å; I231-V234 PolarHBondContact O-N 2.86Å; V234-L236 PolarHBondContact O-N 3.4Å; V234-I237 PolarHBondContact O-N 3.2Å; V234-T238 HydrophobicContact CG1-CG2 4.4Å; V234-T238 WeakPolarHBondContact O-CG2 3.29Å; V234-T238 PolarHBondContact O-N 2.63Å; V234-T238 PolarHBondContact O-OG1 3.22Å; V234-T238 VanDerWaalsContact O-OG1 3.13Å
235M98.5Very high97Very high13 Ų1315.8 Ų15.86%0.06410%0.103CC..Hα-helixtrans-57.7-46.6177.8-179.4177.3146.900112F87 I231 A232 L233 I237 T238 Q239 A251 T254F87-M235 HydrophobicContact CB-SD 3.98Å; F87-M235 HydrophobicContact CD2-CB 3.71Å; F87-M235 HydrophobicContact CD2-CG 3.57Å; F87-M235 HydrophobicContact CD2-SD 4.11Å; F87-M235 HydrophobicContact CE2-CB 3.6Å; F87-M235 HydrophobicContact CE2-CG 3.96Å; F87-M235 HydrophobicContact CG-CB 4.26Å; F87-M235 HydrophobicContact CG-CG 4.11Å; F87-M235 HydrophobicContact CG-SD 4.06Å; F87-M235 HydrophobicContact CZ-CB 4.03Å; I231-M235 PolarHBondContact O-N 2.7Å; A232-M235 WeakPolarHBondContact O-CB 3.27Å; A232-M235 PolarHBondContact O-N 2.92Å; L233-M235 VanDerWaalsContact C-N 3.26Å; L233-M235 PolarHBondContact O-N 3.06Å; M235-I237 VanDerWaalsContact C-N 3.35Å; M235-I237 PolarHBondContact O-N 3.36Å; M235-T238 WeakPolarHBondContact CA-OG1 3.32Å; M235-T238 PolarHBondContact O-N 2.84Å; M235-T238 PolarHBondContact O-OG1 2.9Å; M235-Q239 WeakPolarHBondContact O-CG 3.44Å; M235-Q239 PolarHBondContact O-N 2.88Å; M235-A251 VanDerWaalsContact CE-CA 3.41Å; M235-A251 HydrophobicContact CE-CB 3.77Å; M235-A251 HydrophobicContact CG-CB 4.35Å; M235-A251 HydrophobicContact SD-CB 3.89Å; M235-T254 HydrophobicContact SD-CG2 4.24Å
236L98.6Very high97Very high0 Ų015.9 Ų15.90%010%0.103CC..Hα-helixtrans-61.6-42.1176.8-63.5170.9000112A232 L233 V234 T238 Q239 V240 P246 D247 V248 A251 L272A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.25Å; L233-L236 HydrophobicContact CD1-CD1 4.42Å; L233-L236 PolarHBondContact O-N 2.97Å; L233-L236 VanDerWaalsContact O-N 3.15Å; V234-L236 PolarHBondContact O-N 3.4Å; L236-T238 VanDerWaalsContact C-N 3.34Å; L236-T238 PolarHBondContact O-N 3.28Å; L236-Q239 WeakPolarHBondContact O-CB 3.47Å; L236-Q239 PolarHBondContact O-N 2.98Å; L236-V240 WeakPolarHBondContact O-CG2 3.34Å; L236-V240 PolarHBondContact O-N 2.72Å; L236-P246 HydrophobicContact CB-CB 4.36Å; L236-P246 HydrophobicContact CD2-CB 3.9Å; L236-D247 VanDerWaalsContact CD2-C 3.49Å; L236-D247 WeakPolarHBondContact CD2-O 3.22Å; L236-V248 HydrophobicContact CD1-CG2 3.95Å; L236-V248 HydrophobicContact CD2-CG2 4.26Å; L236-A251 HydrophobicContact CD2-CB 3.81Å; L236-A251 HydrophobicContact CG-CB 4.06Å; L236-L272 HydrophobicContact CD1-CB 3.89Å; L236-L272 HydrophobicContact CD1-CD2 4.14Å; L236-L272 HydrophobicContact CD1-CG 4.48Å
237I97.9Very high96.9Very high0 Ų019.5 Ų19.50%012%0.123CC..Hα-helixtrans-63.8-41.6177.7-65.8-32.6000110.8L202 I205 I209 L233 V234 M235 V240 N241 Y279L202-I237 HydrophobicContact CD2-CD1 4.02Å; L202-I237 HydrophobicContact CD2-CG1 4.23Å; I205-I237 HydrophobicContact CD1-CG1 4.44Å; I205-I237 HydrophobicContact CG2-CB 4.11Å; I205-I237 HydrophobicContact CG2-CG1 4.12Å; I205-I237 HydrophobicContact CG2-CG2 4.01Å; I209-I237 HydrophobicContact CD1-CG2 3.72Å; L233-I237 HydrophobicContact CD1-CD1 4Å; L233-I237 HydrophobicContact CD1-CG1 4.23Å; L233-I237 HydrophobicContact CG-CG1 4.28Å; L233-I237 VanDerWaalsContact O-CG1 3.3Å; L233-I237 WeakPolarHBondContact O-CG1 3.38Å; L233-I237 PolarHBondContact O-N 2.77Å; V234-I237 PolarHBondContact O-N 3.2Å; M235-I237 VanDerWaalsContact C-N 3.35Å; M235-I237 PolarHBondContact O-N 3.36Å; I237-V240 PolarHBondContact O-N 3.48Å; I237-N241 WeakPolarHBondContact O-CB 3.45Å; I237-N241 VanDerWaalsContact O-CG 3.28Å; I237-N241 PolarHBondContact O-N 2.91Å; I237-N241 PolarHBondContact O-ND2 2.96Å; I237-Y279 HydrophobicContact CD1-CD1 3.62Å; I237-Y279 HydrophobicContact CD1-CD2 3.96Å; I237-Y279 HydrophobicContact CD1-CE1 4.22Å; I237-Y279 HydrophobicContact CD1-CG 3.45Å; I237-Y279 VanDerWaalsContact CD1-CG 3.45Å; I237-Y279 HydrophobicContact CG1-CD2 4.5Å; I237-Y279 HydrophobicContact CG1-CG 4.4Å; I237-Y279 HydrophobicContact CG2-CD1 4.3Å; I237-Y279 HydrophobicContact CG2-CE1 3.69Å; I237-Y279 HydrophobicContact CG2-CE2 3.93Å; I237-Y279 VanDerWaalsContact CG2-CZ 3.46Å
238T96.4Very high96.9Very high11 Ų1119.6 Ų19.67%0.06712%0.123CC..Hα-helixtrans-67.7-34.7176.950.40000113.1H89 I209 V234 M235 L236 N241 A242H89-T238 WeakPolarHBondContact O-CB 3.4Å; H89-T238 WeakPolarHBondContact O-CG2 3.29Å; I209-T238 HydrophobicContact CD1-CG2 4.29Å; V234-T238 HydrophobicContact CG1-CG2 4.4Å; V234-T238 WeakPolarHBondContact O-CG2 3.29Å; V234-T238 PolarHBondContact O-N 2.63Å; V234-T238 PolarHBondContact O-OG1 3.22Å; V234-T238 VanDerWaalsContact O-OG1 3.13Å; M235-T238 WeakPolarHBondContact CA-OG1 3.32Å; M235-T238 PolarHBondContact O-N 2.84Å; M235-T238 PolarHBondContact O-OG1 2.9Å; L236-T238 VanDerWaalsContact C-N 3.34Å; L236-T238 PolarHBondContact O-N 3.28Å; T238-N241 PolarHBondContact O-N 2.94Å; T238-A242 WeakPolarHBondContact O-CB 3.44Å; T238-A242 PolarHBondContact O-N 3.1Å
239Q95.9Very high96.8Very high23 Ų2320.8 Ų20.811%0.10713%0.133CC..Hα-helixtrans-61.3-49.2171.2-74.2179.7-41.400111.1M235 L236 N241 A242 G243 E244M235-Q239 WeakPolarHBondContact O-CG 3.44Å; M235-Q239 PolarHBondContact O-N 2.88Å; L236-Q239 WeakPolarHBondContact O-CB 3.47Å; L236-Q239 PolarHBondContact O-N 2.98Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 3.38Å; Q239-A242 CarbonylContact O-C 3.52Å; Q239-A242 WeakPolarHBondContact O-CA 3.46Å; Q239-A242 PolarHBondContact O-N 2.69Å; Q239-A242 VanDerWaalsContact O-N 3.08Å; Q239-G243 PolarHBondContact O-N 3.38Å; Q239-E244 CarbonylContact C-O 3.6Å; Q239-E244 HydrophobicContact CB-CB 4.14Å; Q239-E244 WeakPolarHBondContact O-CB 3.36Å; Q239-E244 PolarHBondContact O-N 3.05Å
240V95.6Very high96.7Very high4 Ų422.3 Ų22.32%0.02415%0.145CC..Hα-helixtrans-58.9-43.1177.8171.10000111.3M1 P7 L236 I237 A242 G243 P246 Y279 I280M1-V240 HydrophobicContact CE-CG1 3.82Å; P7-V240 HydrophobicContact CB-CG1 4Å; P7-V240 HydrophobicContact CB-CG2 4.35Å; P7-V240 HydrophobicContact CG-CG1 4.11Å; L236-V240 WeakPolarHBondContact O-CG2 3.34Å; L236-V240 PolarHBondContact O-N 2.72Å; I237-V240 PolarHBondContact O-N 3.48Å; V240-A242 VanDerWaalsContact C-N 3.3Å; V240-A242 PolarHBondContact O-N 2.87Å; V240-G243 PolarHBondContact O-N 3Å; V240-P246 HydrophobicContact CG2-CB 4.05Å; V240-P246 HydrophobicContact CG2-CG 4.07Å; V240-Y279 HydrophobicContact CB-CD1 4.37Å; V240-Y279 HydrophobicContact CB-CE1 4.43Å; V240-Y279 HydrophobicContact CG1-CD1 3.94Å; V240-Y279 HydrophobicContact CG1-CE1 4.02Å; V240-I280 HydrophobicContact CG1-CG1 3.87Å; V240-I280 HydrophobicContact CG2-CD1 4.08Å; V240-I280 HydrophobicContact CG2-CG1 4Å
241N94.1Very high96.7Very high79 Ų7922.3 Ų22.342%0.42215%0.145SC..Hα-helixtrans-67.1-29.8177.6-71.4-21.2000113.1I237 T238 Q239 G243 Y279I237-N241 WeakPolarHBondContact O-CB 3.45Å; I237-N241 VanDerWaalsContact O-CG 3.28Å; I237-N241 PolarHBondContact O-N 2.91Å; I237-N241 PolarHBondContact O-ND2 2.96Å; T238-N241 PolarHBondContact O-N 2.94Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 3.38Å; N241-G243 PolarHBondContact O-N 3.31Å; N241-Y279 PolarHBondContact ND2-OH 3.16Å; N241-Y279 VanDerWaalsContact ND2-OH 3.11Å; N241-Y279 WeakPolarHBondContact OD1-CE1 3.38Å; N241-Y279 PolarHBondContact OD1-OH 2.93Å
242A93.1Very high96.6Very high53 Ų5322.3 Ų22.344%0.43815%0.145SC..THydrogen-bonded Turntrans-77.6-1.1171.500000113.3T238 Q239 V240 E244T238-A242 WeakPolarHBondContact O-CB 3.44Å; T238-A242 PolarHBondContact O-N 3.1Å; Q239-A242 CarbonylContact O-C 3.52Å; Q239-A242 WeakPolarHBondContact O-CA 3.46Å; Q239-A242 PolarHBondContact O-N 2.69Å; Q239-A242 VanDerWaalsContact O-N 3.08Å; V240-A242 VanDerWaalsContact C-N 3.3Å; V240-A242 PolarHBondContact O-N 2.87Å; A242-E244 HydrophobicContact CB-CG 4.43Å
243G92.8Very high96.5Very high34 Ų3428.3 Ų28.335%0.35117%0.172SC..THydrogen-bonded Turntrans81.314.2-178.700000114.1L6 Q239 V240 N241L6-G243 WeakPolarHBondContact CB-O 3.47Å; Q239-G243 PolarHBondContact O-N 3.38Å; V240-G243 PolarHBondContact O-N 3Å; N241-G243 PolarHBondContact O-N 3.31Å
244E94.8Very high96.4Very high72 Ų7230.4 Ų30.434%0.33618%0.184SC..PPolyproline II helixtrans-92.2147.6177.4-60174.7-169.600111.1P7 H89 Q239 A242P7-E244 WeakPolarHBondContact CG-O 3.45Å; H89-E244 IonicContact CD2-OE1 3.57Å; H89-E244 IonicContact CE1-OE1 3.38Å; H89-E244 IonicContact NE2-OE1 2.69Å; H89-E244 PolarHBondContact NE2-OE1 2.67Å; H89-E244 IonicContact NE2-OE2 2.79Å; Q239-E244 CarbonylContact C-O 3.6Å; Q239-E244 HydrophobicContact CB-CB 4.14Å; Q239-E244 WeakPolarHBondContact O-CB 3.36Å; Q239-E244 PolarHBondContact O-N 3.05Å; A242-E244 HydrophobicContact CB-CG 4.43Å
245A95.3Very high96.4Very high39 Ų3930.4 Ų30.432%0.32219%0.185SC..PPolyproline II helixtrans-65.7134.5170.100000110.2L6 W10 D247L6-A245 HydrophobicContact CB-CB 4.25Å; W10-A245 HydrophobicContact CB-CB 3.9Å; W10-A245 HydrophobicContact CG-CB 4.31Å; A245-D247 PolarHBondContact O-N 3.32Å
246P96.4Very high96.3Very high4 Ų430.5 Ų30.53%0.02618%0.184CC..PPolyproline II helixtrans-67.3127.9178.527.8-33.7000110.8W10 L236 V240 A276 I280W10-P246 HydrophobicContact CD2-CG 3.55Å; W10-P246 HydrophobicContact CE3-CG 3.64Å; W10-P246 HydrophobicContact CG-CG 4.1Å; W10-P246 HydrophobicContact CH2-CG 4.02Å; W10-P246 HydrophobicContact CZ2-CG 3.92Å; W10-P246 HydrophobicContact CZ3-CG 3.88Å; W10-P246 PolarHBondContact NE1-O 2.91Å; L236-P246 HydrophobicContact CB-CB 4.36Å; L236-P246 HydrophobicContact CD2-CB 3.9Å; V240-P246 HydrophobicContact CG2-CB 4.05Å; V240-P246 HydrophobicContact CG2-CG 4.07Å; P246-A276 HydrophobicContact CB-CB 4.36Å; P246-A276 HydrophobicContact CG-CB 4.34Å; P246-I280 HydrophobicContact CG-CD1 4Å
247D96.1Very high96.1Very high77 Ų7733.2 Ų33.241%0.41220%0.203SC..  trans-112.194.1175.5-172.6-21.3000110.4L236 A245 A249 A250 A251L236-D247 VanDerWaalsContact CD2-C 3.49Å; L236-D247 WeakPolarHBondContact CD2-O 3.22Å; A245-D247 PolarHBondContact O-N 3.32Å; D247-A249 VanDerWaalsContact C-N 3.35Å; D247-A249 PolarHBondContact O-N 3.33Å; D247-A249 PolarHBondContact OD1-N 3.2Å; D247-A250 HydrophobicContact CB-CB 3.88Å; D247-A250 PolarHBondContact O-N 3.28Å; D247-A250 WeakPolarHBondContact OD1-CB 3.4Å; D247-A250 PolarHBondContact OD1-N 2.92Å; D247-A250 VanDerWaalsContact OD2-CB 3.32Å; D247-A250 WeakPolarHBondContact OD2-CB 3.16Å; D247-A251 WeakPolarHBondContact O-CB 3.49Å; D247-A251 PolarHBondContact O-N 3.43Å
248V97.7Very high96Very high2 Ų234.3 Ų34.31%0.01221%0.208CC..Hα-helixtrans-61.6-42.5-177.2-178.30000111.7L236 A251 V252 Y269 L272 Y273L236-V248 HydrophobicContact CD1-CG2 3.95Å; L236-V248 HydrophobicContact CD2-CG2 4.26Å; V248-A251 PolarHBondContact O-N 2.85Å; V248-V252 WeakPolarHBondContact O-CG2 3.48Å; V248-V252 PolarHBondContact O-N 2.88Å; V248-Y269 HydrophobicContact CG1-CD2 4.23Å; V248-Y269 HydrophobicContact CG1-CE1 4.5Å; V248-Y269 HydrophobicContact CG1-CE2 3.7Å; V248-L272 HydrophobicContact CG1-CB 3.66Å; V248-L272 HydrophobicContact CG1-CD1 3.82Å; V248-L272 HydrophobicContact CG1-CG 4.39Å; V248-L272 HydrophobicContact CG2-CB 4.38Å; V248-Y273 HydrophobicContact CB-CD2 4.15Å; V248-Y273 HydrophobicContact CB-CE1 4.32Å; V248-Y273 HydrophobicContact CB-CE2 3.58Å; V248-Y273 HydrophobicContact CG1-CD2 3.91Å; V248-Y273 HydrophobicContact CG1-CE2 3.56Å; V248-Y273 HydrophobicContact CG2-CD1 4.01Å; V248-Y273 HydrophobicContact CG2-CD2 3.9Å; V248-Y273 HydrophobicContact CG2-CE1 3.85Å; V248-Y273 HydrophobicContact CG2-CE2 3.74Å; V248-Y273 HydrophobicContact CG2-CG 4.01Å
249A96.4Very high95.9Very high25 Ų2533.8 Ų33.821%0.20721%0.205CC..Hα-helixtrans-68-43.7-178.100000110.9I33 D247 V252 K253I33-A249 HydrophobicContact CD1-CB 4.11Å; D247-A249 VanDerWaalsContact C-N 3.35Å; D247-A249 PolarHBondContact O-N 3.33Å; D247-A249 PolarHBondContact OD1-N 3.2Å; A249-V252 PolarHBondContact O-N 3.32Å; A249-K253 VanDerWaalsContact O-CB 3.24Å; A249-K253 WeakPolarHBondContact O-CB 3.39Å; A249-K253 PolarHBondContact O-N 3.07Å
250A96.9Very high95.8Very high32 Ų3232.7 Ų32.726%0.26420%0.2SC..Hα-helixtrans-65.6-39175.800000112.3D247 K253 T254D247-A250 HydrophobicContact CB-CB 3.88Å; D247-A250 PolarHBondContact O-N 3.28Å; D247-A250 WeakPolarHBondContact OD1-CB 3.4Å; D247-A250 PolarHBondContact OD1-N 2.92Å; D247-A250 VanDerWaalsContact OD2-CB 3.32Å; D247-A250 WeakPolarHBondContact OD2-CB 3.16Å; A250-K253 PolarHBondContact O-N 2.8Å; A250-T254 VanDerWaalsContact O-CB 3.28Å; A250-T254 WeakPolarHBondContact O-CB 3.47Å; A250-T254 PolarHBondContact O-N 2.86Å; A250-T254 PolarHBondContact O-OG1 2.96Å
251A98.3Very high95.7Very high0 Ų038.6 Ų38.60%022%0.222CC..Hα-helixtrans-60.5-50.5175.300000111.7A232 M235 L236 D247 V248 K253 T254 V255A232-A251 HydrophobicContact CB-CB 4.46Å; M235-A251 VanDerWaalsContact CE-CA 3.41Å; M235-A251 HydrophobicContact CE-CB 3.77Å; M235-A251 HydrophobicContact CG-CB 4.35Å; M235-A251 HydrophobicContact SD-CB 3.89Å; L236-A251 HydrophobicContact CD2-CB 3.81Å; L236-A251 HydrophobicContact CG-CB 4.06Å; D247-A251 WeakPolarHBondContact O-CB 3.49Å; D247-A251 PolarHBondContact O-N 3.43Å; V248-A251 PolarHBondContact O-N 2.85Å; A251-K253 PolarHBondContact O-N 2.7Å; A251-T254 PolarHBondContact O-N 2.83Å; A251-V255 WeakPolarHBondContact O-CG2 3.35Å; A251-V255 PolarHBondContact O-N 3.3Å
252V97.8Very high95.8Very high0 Ų034.9 Ų34.90%020%0.202CC..Hα-helixtrans-65.2-41179.2175.50000111.4I33 A232 V248 A249 T254 V255 R256 V263 Y269 L272I33-V252 HydrophobicContact CD1-CB 4.05Å; I33-V252 HydrophobicContact CD1-CG1 4.07Å; I33-V252 HydrophobicContact CG2-CG1 4.37Å; A232-V252 HydrophobicContact CB-CG2 4.31Å; V248-V252 WeakPolarHBondContact O-CG2 3.48Å; V248-V252 PolarHBondContact O-N 2.88Å; A249-V252 PolarHBondContact O-N 3.32Å; V252-T254 VanDerWaalsContact C-N 3.31Å; V252-T254 PolarHBondContact O-N 2.74Å; V252-V255 PolarHBondContact O-N 2.86Å; V252-R256 HydrophobicContact CG1-CG 4.37Å; V252-R256 WeakPolarHBondContact O-CB 3.48Å; V252-R256 WeakPolarHBondContact O-CG 3.47Å; V252-R256 PolarHBondContact O-N 2.99Å; V252-V263 HydrophobicContact CG1-CB 4.1Å; V252-V263 HydrophobicContact CG1-CG2 4.19Å; V252-V263 HydrophobicContact CG2-CB 4.39Å; V252-V263 HydrophobicContact CG2-CG2 3.92Å; V252-Y269 HydrophobicContact CB-CE2 4.32Å; V252-Y269 HydrophobicContact CG2-CD2 3.96Å; V252-Y269 HydrophobicContact CG2-CE2 3.92Å; V252-L272 HydrophobicContact CG2-CD1 3.4Å
253K96.5Very high96Very high127 Ų12732.3 Ų32.355%0.55218%0.181SC*.Hα-helixtrans-59.5-42.4174.4-176.1179.8177.4-1780111.8I33 A249 A250 A251 R256 S257I33-K253 HydrophobicContact CG2-CB 3.9Å; I33-K253 HydrophobicContact CG2-CG 4.4Å; A249-K253 VanDerWaalsContact O-CB 3.24Å; A249-K253 WeakPolarHBondContact O-CB 3.39Å; A249-K253 PolarHBondContact O-N 3.07Å; A250-K253 PolarHBondContact O-N 2.8Å; A251-K253 PolarHBondContact O-N 2.7Å; K253-R256 PolarHBondContact O-N 3.11Å; K253-S257 PolarHBondContact O-N 2.89Å
254T97.4Very high95.9Very high43 Ų4334.3 Ų34.326%0.26418%0.181SC..Hα-helixtrans-65.7-45.7178.5-60.40000111F87 M235 A250 A251 V252 R256 S257 M258F87-T254 HydrophobicContact CB-CG2 4.12Å; M235-T254 HydrophobicContact SD-CG2 4.24Å; A250-T254 VanDerWaalsContact O-CB 3.28Å; A250-T254 WeakPolarHBondContact O-CB 3.47Å; A250-T254 PolarHBondContact O-N 2.86Å; A250-T254 PolarHBondContact O-OG1 2.96Å; A251-T254 PolarHBondContact O-N 2.83Å; V252-T254 VanDerWaalsContact C-N 3.31Å; V252-T254 PolarHBondContact O-N 2.74Å; T254-R256 VanDerWaalsContact C-N 3.34Å; T254-R256 PolarHBondContact O-N 3.5Å; T254-S257 PolarHBondContact O-N 2.89Å; T254-S257 PolarHBondContact O-OG 3.31Å; T254-M258 HydrophobicContact CG2-CE 3.78Å; T254-M258 WeakPolarHBondContact O-CE 3.34Å
255V98.1Very high95.8Very high1 Ų131.5 Ų31.51%0.00617%0.171CC..Hα-helixtrans-63.8-42.1176.1-178.90000110.6I85 I231 A232 A251 V252 S257 M258 R259 A262I85-V255 HydrophobicContact CG2-CG2 4.42Å; I231-V255 HydrophobicContact CG2-CG2 4.14Å; A232-V255 HydrophobicContact CB-CG2 4.13Å; A251-V255 WeakPolarHBondContact O-CG2 3.35Å; A251-V255 PolarHBondContact O-N 3.3Å; V252-V255 PolarHBondContact O-N 2.86Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 2.78Å; V255-M258 PolarHBondContact O-N 2.81Å; V255-M258 VanDerWaalsContact O-N 3.12Å; V255-R259 PolarHBondContact O-N 3.17Å; V255-A262 HydrophobicContact CB-CB 4.27Å; V255-A262 HydrophobicContact CG1-CB 3.5Å
256R95.8Very high95.6Very high14 Ų1431.8 Ų31.85%0.05318%0.177CC..Hα-helixtrans-65-27.4178.2-75.7-174-178.9177.2-0.7114.2I33 P34 V252 K253 T254 M258 R259 A262 V263I33-R256 PolarHBondContact O-NH1 2.82Å; P34-R256 WeakPolarHBondContact O-CD 3.38Å; V252-R256 HydrophobicContact CG1-CG 4.37Å; V252-R256 WeakPolarHBondContact O-CB 3.48Å; V252-R256 WeakPolarHBondContact O-CG 3.47Å; V252-R256 PolarHBondContact O-N 2.99Å; K253-R256 PolarHBondContact O-N 3.11Å; T254-R256 VanDerWaalsContact C-N 3.34Å; T254-R256 PolarHBondContact O-N 3.5Å; R256-M258 PolarHBondContact O-N 2.86Å; R256-R259 WeakPolarHBondContact CA-O 3.11Å; R256-A262 HydrophobicContact CG-CB 4.01Å; R256-A262 PolarHBondContact NE-O 2.94Å; R256-A262 PolarHBondContact NH2-O 3.34Å; R256-V263 PolarHBondContact NH2-O 2.97Å
257S94.8Very high95.5Very high57 Ų5735.9 Ų35.940%0.39920%0.198SC..Hα-helixtrans-66.9-17.4175.577.10000113L63 K253 T254 V255L63-S257 WeakPolarHBondContact CD2-O 3.36Å; K253-S257 PolarHBondContact O-N 2.89Å; T254-S257 PolarHBondContact O-N 2.89Å; T254-S257 PolarHBondContact O-OG 3.31Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 2.78Å
258M95.5Very high95.4Very high23 Ų2332.3 Ų32.311%0.11318%0.179CC..Hα-helixtrans-117.4-28.5-179.8-62.7173.9-85.800113.5T66 N83 I85 R86 T254 V255 R256T66-M258 HydrophobicContact CG2-CB 4Å; T66-M258 HydrophobicContact CG2-CG 3.94Å; T66-M258 PolarHBondContact OG1-O 2.83Å; N83-M258 VanDerWaalsContact CB-O 3.28Å; N83-M258 WeakPolarHBondContact CB-O 3.47Å; I85-M258 HydrophobicContact CD1-CB 3.69Å; I85-M258 HydrophobicContact CG2-CE 3.63Å; I85-M258 HydrophobicContact CG2-SD 4.21Å; R86-M258 HydrophobicContact CB-SD 4.49Å; R86-M258 PolarHBondContact N-SD 3.21Å; R86-M258 WeakPolarHBondContact O-CE 3.28Å; T254-M258 HydrophobicContact CG2-CE 3.78Å; T254-M258 WeakPolarHBondContact O-CE 3.34Å; V255-M258 PolarHBondContact O-N 2.81Å; V255-M258 VanDerWaalsContact O-N 3.12Å; R256-M258 PolarHBondContact O-N 2.86Å
259R95.2Very high95.4Very high0 Ų032.3 Ų32.30%018%0.179CC..SBendtrans-133.794.2174.1-179.670170.7177.63.6109H81 N83 I85 A96 A222 G223 I224 V255 R256 A262H81-R259 PolarHBondContact CE1-NH1 3.48Å; H81-R259 VanDerWaalsContact CE1-NH1 3.32Å; H81-R259 PolarHBondContact CE1-NH2 3.38Å; H81-R259 PolarHBondContact ND1-NH1 3.02Å; H81-R259 PolarHBondContact ND1-NH2 3.27Å; N83-R259 HydrophobicContact CB-CB 4.4Å; N83-R259 WeakPolarHBondContact OD1-CD 3.16Å; N83-R259 PolarHBondContact OD1-NH1 3.05Å; I85-R259 HydrophobicContact CD1-CB 3.55Å; A96-R259 HydrophobicContact CB-CB 4.36Å; A96-R259 HydrophobicContact CB-CG 4.04Å; A222-R259 PolarHBondContact O-NH2 2.89Å; G223-R259 PolarHBondContact O-NE 3.3Å; I224-R259 HydrophobicContact CG2-CG 3.93Å; V255-R259 PolarHBondContact O-N 3.17Å; R256-R259 WeakPolarHBondContact CA-O 3.11Å; R259-A262 VanDerWaalsContact O-CB 3.28Å; R259-A262 WeakPolarHBondContact O-CB 3.37Å; R259-A262 PolarHBondContact O-N 3.05Å
260P93.3Very high95.3Very high0 Ų033.8 Ų33.80%019%0.185CC..THydrogen-bonded Turntrans-59.3147.8-172.8-21.230.1000112.1G35 M43 P61 L63 A262G35-P260 CarbonylContact O-C 3.41Å; G35-P260 WeakPolarHBondContact O-CA 3.24Å; G35-P260 WeakPolarHBondContact O-CB 3.29Å; M43-P260 HydrophobicContact CG-CG 4.33Å; M43-P260 HydrophobicContact SD-CB 4.22Å; M43-P260 HydrophobicContact SD-CG 4.47Å; P61-P260 HydrophobicContact CG-CB 3.8Å; P61-P260 HydrophobicContact CG-CG 4.26Å; L63-P260 HydrophobicContact CB-CG 4.07Å; L63-P260 HydrophobicContact CD1-CG 4.48Å; P260-A262 PolarHBondContact O-N 3.38Å
261W93.7Very high95.3Very high129 Ų12932.9 Ų32.949%0.48918%0.175SC..THydrogen-bonded Turntrans60.618.1-177.9-54.6106.7000114.9G35 I224 Q264G35-W261 PolarHBondContact O-N 2.91Å; I224-W261 HydrophobicContact CD1-CB 4.28Å; W261-Q264 VanDerWaalsContact O-CG 3.28Å; W261-Q264 WeakPolarHBondContact O-CG 3.42Å
262A96.6Very high95.3Very high0 Ų032.9 Ų32.90%018%0.175CC..  trans-52.2141.8166.100000111.4I224 V255 R256 R259 P260I224-A262 VanDerWaalsContact O-CA 3.31Å; I224-A262 WeakPolarHBondContact O-CA 3.45Å; V255-A262 HydrophobicContact CB-CB 4.27Å; V255-A262 HydrophobicContact CG1-CB 3.5Å; R256-A262 HydrophobicContact CG-CB 4.01Å; R256-A262 PolarHBondContact NE-O 2.94Å; R256-A262 PolarHBondContact NH2-O 3.34Å; R259-A262 VanDerWaalsContact O-CB 3.28Å; R259-A262 WeakPolarHBondContact O-CB 3.37Å; R259-A262 PolarHBondContact O-N 3.05Å; P260-A262 PolarHBondContact O-N 3.38Å
263V96.1Very high95.2Very high0 Ų033.8 Ų33.80%018%0.179CC..SBendtrans5985.8-171.9-168.90000110.9I224 A232 V252 R256 Q268 Y269 L272I224-V263 PolarHBondContact O-N 3.26Å; A232-V263 HydrophobicContact CB-CG2 4.48Å; V252-V263 HydrophobicContact CG1-CB 4.1Å; V252-V263 HydrophobicContact CG1-CG2 4.19Å; V252-V263 HydrophobicContact CG2-CB 4.39Å; V252-V263 HydrophobicContact CG2-CG2 3.92Å; R256-V263 PolarHBondContact NH2-O 2.97Å; V263-Q268 HydrophobicContact CG1-CB 3.88Å; V263-Y269 HydrophobicContact CG1-CD2 4.39Å; V263-L272 HydrophobicContact CG2-CD1 4.38Å
264Q91.1Very high95.2Very high75 Ų7534.9 Ų34.935%0.3518%0.18SC..  trans-87.8-32.6-168.3-70.6-175.3-75.100113.7I224 W261I224-Q264 HydrophobicContact CD1-CG 3.81Å; I224-Q264 VanDerWaalsContact CG1-CD 3.5Å; I224-Q264 HydrophobicContact CG1-CG 4Å; W261-Q264 VanDerWaalsContact O-CG 3.28Å; W261-Q264 WeakPolarHBondContact O-CG 3.42Å
265A92.1Very high95.3Very high14 Ų1432.9 Ų32.912%0.11617%0.167CC..SBendtrans-109.9145.9-172.200000111.7H192 I267 Q268 Y269H192-A265 HydrophobicContact CB-CB 4.31Å; H192-A265 VanDerWaalsContact O-CB 3.29Å; H192-A265 WeakPolarHBondContact O-CB 3.11Å; A265-I267 HydrophobicContact CB-CG2 3.92Å; A265-I267 PolarHBondContact O-N 3.22Å; A265-Q268 HydrophobicContact CB-CG 4.17Å; A265-Q268 VanDerWaalsContact N-OE1 3.15Å; A265-Q268 WeakPolarHBondContact O-CB 3.36Å; A265-Q268 PolarHBondContact O-N 3.18Å; A265-Y269 PolarHBondContact O-N 3.45Å; A265-Y269 VanDerWaalsContact O-N 3.15Å
266G91.6Very high95.2Very high45 Ų4532.8 Ų32.846%0.46417%0.167SC..Hα-helixtrans-55.3-37.9175.800000112.8Q268 Y269 T270G266-Q268 VanDerWaalsContact C-N 3.31Å; G266-Q268 PolarHBondContact O-N 2.85Å; G266-Y269 WeakPolarHBondContact O-CB 3.45Å; G266-Y269 PolarHBondContact O-N 2.8Å; G266-T270 WeakPolarHBondContact O-CG2 3.23Å; G266-T270 PolarHBondContact O-N 3.41Å; G266-T270 PolarHBondContact O-OG1 2.96Å
267I93.6Very high95.2Very high90 Ų9033.2 Ų33.246%0.46217%0.171SC..Hα-helixtrans-64.3-33.5176.7-171.862.5000113.1H192 A265 T270 F271H192-I267 WeakPolarHBondContact O-CG2 3.42Å; A265-I267 HydrophobicContact CB-CG2 3.92Å; A265-I267 PolarHBondContact O-N 3.22Å; I267-T270 VanDerWaalsContact CA-OG1 3.27Å; I267-T270 WeakPolarHBondContact CA-OG1 3.41Å; I267-T270 PolarHBondContact O-OG1 3.36Å; I267-F271 VanDerWaalsContact O-CB 3.24Å; I267-F271 WeakPolarHBondContact O-CB 3.3Å; I267-F271 PolarHBondContact O-N 2.98Å
268Q95.8Very high95.3Very high1 Ų131.4 Ų31.41%0.00516%0.157CC..Hα-helixtrans-69.2-39.5174.5-71.5169.7-12.700110.9G193 T229 V263 A265 G266 F271 L272G193-Q268 WeakPolarHBondContact O-CG 3.4Å; G193-Q268 PolarHBondContact O-NE2 3.46Å; T229-Q268 HydrophobicContact CG2-CB 4.14Å; T229-Q268 WeakPolarHBondContact OG1-CB 3.36Å; V263-Q268 HydrophobicContact CG1-CB 3.88Å; A265-Q268 HydrophobicContact CB-CG 4.17Å; A265-Q268 VanDerWaalsContact N-OE1 3.15Å; A265-Q268 WeakPolarHBondContact O-CB 3.36Å; A265-Q268 PolarHBondContact O-N 3.18Å; G266-Q268 VanDerWaalsContact C-N 3.31Å; G266-Q268 PolarHBondContact O-N 2.85Å; Q268-F271 WeakPolarHBondContact O-CB 3.33Å; Q268-F271 PolarHBondContact O-N 2.94Å; Q268-L272 PolarHBondContact O-N 2.86Å
269Y96.1Very high95.3Very high2 Ų230.5 Ų30.51%0.00815%0.153CC..Hα-helixtrans-66.5-46.4175.7-172.2-100.9000112I26 E29 L30 I33 V248 V252 V263 A265 G266 F271 L272 Y273I26-Y269 HydrophobicContact CG2-CD1 3.85Å; I26-Y269 HydrophobicContact CG2-CE1 3.88Å; E29-Y269 HydrophobicContact CB-CE1 4.08Å; E29-Y269 VanDerWaalsContact CB-OH 3.29Å; E29-Y269 WeakPolarHBondContact CB-OH 3.47Å; E29-Y269 WeakPolarHBondContact OE2-CE1 3.28Å; E29-Y269 PolarHBondContact OE2-OH 2.92Å; L30-Y269 HydrophobicContact CB-CD1 4.03Å; L30-Y269 HydrophobicContact CB-CD2 4.21Å; L30-Y269 HydrophobicContact CB-CE1 4.31Å; L30-Y269 HydrophobicContact CB-CE2 4.47Å; L30-Y269 HydrophobicContact CB-CG 3.99Å; L30-Y269 HydrophobicContact CD1-CD2 3.68Å; L30-Y269 HydrophobicContact CD1-CE2 4.3Å; L30-Y269 HydrophobicContact CD1-CG 4Å; L30-Y269 HydrophobicContact CD2-CG 4.23Å; L30-Y269 HydrophobicContact CG-CD2 4.4Å; L30-Y269 HydrophobicContact CG-CG 4.29Å; I33-Y269 HydrophobicContact CD1-CE2 3.91Å; V248-Y269 HydrophobicContact CG1-CD2 4.23Å; V248-Y269 HydrophobicContact CG1-CE1 4.5Å; V248-Y269 HydrophobicContact CG1-CE2 3.7Å; V252-Y269 HydrophobicContact CB-CE2 4.32Å; V252-Y269 HydrophobicContact CG2-CD2 3.96Å; V252-Y269 HydrophobicContact CG2-CE2 3.92Å; V263-Y269 HydrophobicContact CG1-CD2 4.39Å; A265-Y269 PolarHBondContact O-N 3.45Å; A265-Y269 VanDerWaalsContact O-N 3.15Å; G266-Y269 WeakPolarHBondContact O-CB 3.45Å; G266-Y269 PolarHBondContact O-N 2.8Å; Y269-F271 PolarHBondContact O-N 3.31Å; Y269-L272 WeakPolarHBondContact O-CB 3.48Å; Y269-L272 PolarHBondContact O-N 2.72Å; Y269-L272 VanDerWaalsContact O-N 3.12Å; Y269-Y273 HydrophobicContact CD1-CE2 4.4Å; Y269-Y273 HydrophobicContact CE1-CD2 4.38Å; Y269-Y273 AromaticContact CE1-CE2 3.7Å; Y269-Y273 HydrophobicContact CE1-CE2 3.7Å
270T94.5Very high95.3Very high57 Ų5730.5 Ų30.535%0.3515%0.153SC..Hα-helixtrans-64-31.5174.952.90000112.1I26 G266 I267 L272 Y273 W274I26-T270 HydrophobicContact CG2-CG2 3.84Å; G266-T270 WeakPolarHBondContact O-CG2 3.23Å; G266-T270 PolarHBondContact O-N 3.41Å; G266-T270 PolarHBondContact O-OG1 2.96Å; I267-T270 VanDerWaalsContact CA-OG1 3.27Å; I267-T270 WeakPolarHBondContact CA-OG1 3.41Å; I267-T270 PolarHBondContact O-OG1 3.36Å; T270-L272 VanDerWaalsContact C-N 3.26Å; T270-L272 PolarHBondContact O-N 3.45Å; T270-Y273 PolarHBondContact O-N 3.15Å; T270-W274 PolarHBondContact O-N 3.28Å
271F97.1Very high95.2Very high12 Ų1234 Ų345%0.05317%0.171CC..Hα-helixtrans-61.6-33.6174.7168.8-105.7000112.2W189 P195 T198 V201 T229 L233 I267 Q268 Y269 Y273 W274 A275W189-F271 HydrophobicContact CH2-CE1 4.17Å; W189-F271 HydrophobicContact CZ2-CD1 4.42Å; W189-F271 HydrophobicContact CZ2-CE1 4.42Å; P195-F271 HydrophobicContact CG-CD1 4.04Å; P195-F271 HydrophobicContact CG-CD2 3.75Å; P195-F271 HydrophobicContact CG-CE1 3.58Å; P195-F271 HydrophobicContact CG-CE2 3.26Å; P195-F271 HydrophobicContact CG-CG 4.12Å; P195-F271 HydrophobicContact CG-CZ 3.18Å; T198-F271 HydrophobicContact CG2-CE2 3.9Å; T198-F271 HydrophobicContact CG2-CZ 4.4Å; V201-F271 HydrophobicContact CB-CZ 4.38Å; V201-F271 HydrophobicContact CG1-CZ 4.35Å; T229-F271 HydrophobicContact CG2-CD1 3.75Å; T229-F271 HydrophobicContact CG2-CE1 4.31Å; L233-F271 HydrophobicContact CD2-CE1 3.78Å; L233-F271 HydrophobicContact CD2-CZ 3.93Å; I267-F271 VanDerWaalsContact O-CB 3.24Å; I267-F271 WeakPolarHBondContact O-CB 3.3Å; I267-F271 PolarHBondContact O-N 2.98Å; Q268-F271 WeakPolarHBondContact O-CB 3.33Å; Q268-F271 PolarHBondContact O-N 2.94Å; Y269-F271 PolarHBondContact O-N 3.31Å; F271-Y273 PolarHBondContact O-N 2.74Å; F271-W274 PolarHBondContact O-N 2.79Å; F271-A275 HydrophobicContact CD2-CB 4.4Å; F271-A275 HydrophobicContact CE1-CB 4.23Å; F271-A275 HydrophobicContact CE2-CB 3.84Å; F271-A275 HydrophobicContact CZ-CB 3.73Å; F271-A275 VanDerWaalsContact O-CB 3.27Å; F271-A275 WeakPolarHBondContact O-CB 3.35Å; F271-A275 PolarHBondContact O-N 2.8Å
272L98.3Very high95Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-61.6-43.8175.7-64.9172.6000112T229 A232 L233 L236 V248 V252 V263 Q268 Y269 T270 A276T229-L272 HydrophobicContact CG2-CD2 3.87Å; T229-L272 HydrophobicContact CG2-CG 4.18Å; T229-L272 WeakPolarHBondContact O-CD2 3.31Å; A232-L272 HydrophobicContact CB-CD1 4.02Å; A232-L272 HydrophobicContact CB-CD2 4.05Å; L233-L272 HydrophobicContact CB-CD2 3.77Å; L233-L272 HydrophobicContact CD1-CD2 4.47Å; L236-L272 HydrophobicContact CD1-CB 3.89Å; L236-L272 HydrophobicContact CD1-CD2 4.14Å; L236-L272 HydrophobicContact CD1-CG 4.48Å; V248-L272 HydrophobicContact CG1-CB 3.66Å; V248-L272 HydrophobicContact CG1-CD1 3.82Å; V248-L272 HydrophobicContact CG1-CG 4.39Å; V248-L272 HydrophobicContact CG2-CB 4.38Å; V252-L272 HydrophobicContact CG2-CD1 3.4Å; V263-L272 HydrophobicContact CG2-CD1 4.38Å; Q268-L272 PolarHBondContact O-N 2.86Å; Y269-L272 WeakPolarHBondContact O-CB 3.48Å; Y269-L272 PolarHBondContact O-N 2.72Å; Y269-L272 VanDerWaalsContact O-N 3.12Å; T270-L272 VanDerWaalsContact C-N 3.26Å; T270-L272 PolarHBondContact O-N 3.45Å; L272-A276 VanDerWaalsContact O-CB 3.29Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 2.91Å
273Y96.4Very high94.5Very high19 Ų1935.7 Ų35.78%0.07518%0.183CC..Hα-helixtrans-60.7-49.8173.1-81.3-85.2000111.4W10 L14 I26 E29 V248 Y269 T270 F271 A275 A276 V277W10-Y273 HydrophobicContact CH2-CD1 4.3Å; W10-Y273 AromaticContact CZ2-CD1 3.88Å; W10-Y273 HydrophobicContact CZ2-CD1 3.88Å; W10-Y273 HydrophobicContact CZ2-CE1 4.05Å; L14-Y273 HydrophobicContact CD2-CD1 4.46Å; I26-Y273 HydrophobicContact CD1-CD1 4.2Å; I26-Y273 HydrophobicContact CD1-CD2 4.02Å; I26-Y273 HydrophobicContact CD1-CE1 4.36Å; I26-Y273 HydrophobicContact CD1-CE2 4.18Å; I26-Y273 HydrophobicContact CD1-CG 4.04Å; I26-Y273 HydrophobicContact CG1-CD2 4.2Å; I26-Y273 HydrophobicContact CG1-CE1 4.44Å; I26-Y273 HydrophobicContact CG1-CE2 3.88Å; I26-Y273 HydrophobicContact CG2-CD2 4.34Å; I26-Y273 HydrophobicContact CG2-CE2 4.31Å; E29-Y273 PolarHBondContact OE1-OH 3.45Å; E29-Y273 PolarHBondContact OE2-OH 3.04Å; V248-Y273 HydrophobicContact CB-CD2 4.15Å; V248-Y273 HydrophobicContact CB-CE1 4.32Å; V248-Y273 HydrophobicContact CB-CE2 3.58Å; V248-Y273 HydrophobicContact CG1-CD2 3.91Å; V248-Y273 HydrophobicContact CG1-CE2 3.56Å; V248-Y273 HydrophobicContact CG2-CD1 4.01Å; V248-Y273 HydrophobicContact CG2-CD2 3.9Å; V248-Y273 HydrophobicContact CG2-CE1 3.85Å; V248-Y273 HydrophobicContact CG2-CE2 3.74Å; V248-Y273 HydrophobicContact CG2-CG 4.01Å; Y269-Y273 HydrophobicContact CD1-CE2 4.4Å; Y269-Y273 HydrophobicContact CE1-CD2 4.38Å; Y269-Y273 AromaticContact CE1-CE2 3.7Å; Y269-Y273 HydrophobicContact CE1-CE2 3.7Å; T270-Y273 PolarHBondContact O-N 3.15Å; F271-Y273 PolarHBondContact O-N 2.74Å; Y273-A275 PolarHBondContact O-N 3.24Å; Y273-A276 PolarHBondContact O-N 2.86Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.84Å
274W96.3Very high93.7Very high151 Ų15137.2 Ų37.257%0.57219%0.192SC*.Hα-helixtrans-58.5-50-179.5174.9-105.1000112T198 T270 F271 A276 V277 V278T198-W274 VanDerWaalsContact OG1-CD1 3.3Å; T198-W274 PolarHBondContact OG1-NE1 3.32Å; T198-W274 VanDerWaalsContact OG1-NE1 3.09Å; T270-W274 PolarHBondContact O-N 3.28Å; F271-W274 PolarHBondContact O-N 2.79Å; W274-A276 VanDerWaalsContact C-N 3.34Å; W274-A276 PolarHBondContact O-N 2.91Å; W274-V277 WeakPolarHBondContact O-CB 3.36Å; W274-V277 PolarHBondContact O-N 3.29Å; W274-V278 HydrophobicContact CD2-CG2 4.21Å; W274-V278 HydrophobicContact CZ2-CG2 3.92Å; W274-V278 WeakPolarHBondContact O-CG2 3.49Å; W274-V278 PolarHBondContact O-N 2.92Å
275A98.4Very high92.7Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-65.3-37-179.500000112.3T198 L233 F271 Y273 V278 Y279T198-A275 HydrophobicContact CG2-CB 3.9Å; L233-A275 HydrophobicContact CD1-CB 3.58Å; L233-A275 HydrophobicContact CD2-CB 3.67Å; L233-A275 HydrophobicContact CG-CB 4.3Å; F271-A275 HydrophobicContact CD2-CB 4.4Å; F271-A275 HydrophobicContact CE1-CB 4.23Å; F271-A275 HydrophobicContact CE2-CB 3.84Å; F271-A275 HydrophobicContact CZ-CB 3.73Å; F271-A275 VanDerWaalsContact O-CB 3.27Å; F271-A275 WeakPolarHBondContact O-CB 3.35Å; F271-A275 PolarHBondContact O-N 2.8Å; Y273-A275 PolarHBondContact O-N 3.24Å; A275-V278 PolarHBondContact O-N 2.91Å; A275-Y279 WeakPolarHBondContact O-CB 3.44Å; A275-Y279 PolarHBondContact O-N 3.2Å
276A97.8Very high91.5Very high0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-63.9-43.2174.200000111.7W10 P246 L272 Y273 W274 Y279 I280W10-A276 HydrophobicContact CH2-CB 4.05Å; W10-A276 HydrophobicContact CZ3-CB 4.37Å; P246-A276 HydrophobicContact CB-CB 4.36Å; P246-A276 HydrophobicContact CG-CB 4.34Å; L272-A276 VanDerWaalsContact O-CB 3.29Å; L272-A276 WeakPolarHBondContact O-CB 3.29Å; L272-A276 PolarHBondContact O-N 2.91Å; Y273-A276 PolarHBondContact O-N 2.86Å; W274-A276 VanDerWaalsContact C-N 3.34Å; W274-A276 PolarHBondContact O-N 2.91Å; A276-Y279 PolarHBondContact O-N 2.8Å; A276-I280 VanDerWaalsContact O-CG1 3.3Å; A276-I280 WeakPolarHBondContact O-CG1 3.35Å; A276-I280 PolarHBondContact O-N 3.09Å
277V95.9Very high90.3Very high23 Ų2347.8 Ų47.814%0.13924%0.243CC..Hα-helixtrans-59.6-50.5174.2166.90000111W10 L11 L14 Y273 W274 Y279 I280 L281W10-V277 HydrophobicContact CH2-CG2 3.95Å; W10-V277 HydrophobicContact CZ3-CG2 3.82Å; L11-V277 HydrophobicContact CD1-CB 4.29Å; L11-V277 HydrophobicContact CD1-CG1 3.81Å; L11-V277 HydrophobicContact CD1-CG2 3.96Å; L14-V277 HydrophobicContact CD2-CG2 3.72Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.84Å; W274-V277 WeakPolarHBondContact O-CB 3.36Å; W274-V277 PolarHBondContact O-N 3.29Å; V277-Y279 VanDerWaalsContact C-N 3.31Å; V277-Y279 PolarHBondContact O-N 3.11Å; V277-I280 PolarHBondContact O-N 2.95Å; V277-L281 HydrophobicContact CG1-CD1 3.84Å; V277-L281 HydrophobicContact CG1-CG 4.49Å; V277-L281 WeakPolarHBondContact O-CB 3.42Å; V277-L281 WeakPolarHBondContact O-CG 3.39Å; V277-L281 PolarHBondContact O-N 2.86Å
278V95.8Very high88.9Confident18 Ų1850.8 Ų50.811%0.10926%0.26CS..Hα-helixtrans-58.2-45.6178.7171.80000110.6T198 L202 W274 A275 L281 Q282T198-V278 HydrophobicContact CG2-CB 4.26Å; T198-V278 HydrophobicContact CG2-CG1 4.27Å; T198-V278 HydrophobicContact CG2-CG2 4.35Å; L202-V278 HydrophobicContact CD1-CB 4.37Å; L202-V278 HydrophobicContact CD1-CG1 3.82Å; W274-V278 HydrophobicContact CD2-CG2 4.21Å; W274-V278 HydrophobicContact CZ2-CG2 3.92Å; W274-V278 WeakPolarHBondContact O-CG2 3.49Å; W274-V278 PolarHBondContact O-N 2.92Å; A275-V278 PolarHBondContact O-N 2.91Å; V278-L281 PolarHBondContact O-N 2.86Å; V278-Q282 VanDerWaalsContact O-CG 3.32Å; V278-Q282 WeakPolarHBondContact O-CG 3.45Å; V278-Q282 PolarHBondContact O-N 3.46Å
279Y96.2Very high87.4Confident5 Ų558.8 Ų58.82%0.0230%0.302CS..Hα-helixtrans-63.9-44.8-179.6-171.3-101.8000112.8L202 E206 I237 V240 N241 A275 A276 V277 L281 Q282 K283L202-Y279 HydrophobicContact CD1-CD2 4.36Å; L202-Y279 HydrophobicContact CD2-CD2 3.96Å; L202-Y279 HydrophobicContact CD2-CG 4.44Å; E206-Y279 HydrophobicContact CG-CE2 4.3Å; I237-Y279 HydrophobicContact CD1-CD1 3.62Å; I237-Y279 HydrophobicContact CD1-CD2 3.96Å; I237-Y279 HydrophobicContact CD1-CE1 4.22Å; I237-Y279 HydrophobicContact CD1-CG 3.45Å; I237-Y279 VanDerWaalsContact CD1-CG 3.45Å; I237-Y279 HydrophobicContact CG1-CD2 4.5Å; I237-Y279 HydrophobicContact CG1-CG 4.4Å; I237-Y279 HydrophobicContact CG2-CD1 4.3Å; I237-Y279 HydrophobicContact CG2-CE1 3.69Å; I237-Y279 HydrophobicContact CG2-CE2 3.93Å; I237-Y279 VanDerWaalsContact CG2-CZ 3.46Å; V240-Y279 HydrophobicContact CB-CD1 4.37Å; V240-Y279 HydrophobicContact CB-CE1 4.43Å; V240-Y279 HydrophobicContact CG1-CD1 3.94Å; V240-Y279 HydrophobicContact CG1-CE1 4.02Å; N241-Y279 PolarHBondContact ND2-OH 3.16Å; N241-Y279 VanDerWaalsContact ND2-OH 3.11Å; N241-Y279 WeakPolarHBondContact OD1-CE1 3.38Å; N241-Y279 PolarHBondContact OD1-OH 2.93Å; A275-Y279 WeakPolarHBondContact O-CB 3.44Å; A275-Y279 PolarHBondContact O-N 3.2Å; A276-Y279 PolarHBondContact O-N 2.8Å; V277-Y279 VanDerWaalsContact C-N 3.31Å; V277-Y279 PolarHBondContact O-N 3.11Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 2.68Å; Y279-Q282 PolarHBondContact O-N 2.95Å; Y279-K283 HydrophobicContact CE1-CG 4.3Å; Y279-K283 WeakPolarHBondContact O-CG 3.31Å; Y279-K283 PolarHBondContact O-N 2.83Å; Y279-K283 VanDerWaalsContact OH-CE 3.23Å; Y279-K283 WeakPolarHBondContact OH-CE 3.43Å
280I94.7Very high85.5Confident0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-61.6-45.6177.4-69.9165.3000110.1M1 P7 W10 L11 V240 P246 A276 V277 Q282 K283 V284M1-I280 HydrophobicContact CE-CG2 4.46Å; M1-I280 HydrophobicContact SD-CG2 3.85Å; P7-I280 HydrophobicContact CB-CD1 3.96Å; P7-I280 HydrophobicContact CB-CG1 4.07Å; W10-I280 HydrophobicContact CE3-CD1 3.63Å; W10-I280 HydrophobicContact CZ3-CD1 3.78Å; L11-I280 HydrophobicContact CB-CG2 4.23Å; L11-I280 HydrophobicContact CD2-CG2 3.8Å; V240-I280 HydrophobicContact CG1-CG1 3.87Å; V240-I280 HydrophobicContact CG2-CD1 4.08Å; V240-I280 HydrophobicContact CG2-CG1 4Å; P246-I280 HydrophobicContact CG-CD1 4Å; A276-I280 VanDerWaalsContact O-CG1 3.3Å; A276-I280 WeakPolarHBondContact O-CG1 3.35Å; A276-I280 PolarHBondContact O-N 3.09Å; V277-I280 PolarHBondContact O-N 2.95Å; I280-Q282 VanDerWaalsContact C-N 3.31Å; I280-Q282 PolarHBondContact O-N 3.35Å; I280-K283 PolarHBondContact O-N 3.5Å; I280-V284 WeakPolarHBondContact O-CG2 3.4Å; I280-V284 PolarHBondContact O-N 2.91Å
281L91.2Very high83.4Confident72 Ų7265.7 Ų65.738%0.37736%0.359SS..Hα-helixtrans-60.5-37.7177.9-74.7172.2000112.5L11 V277 V278 Y279 K283 V284 I286L11-L281 HydrophobicContact CD2-CD2 3.67Å; L11-L281 HydrophobicContact CD2-CG 3.96Å; V277-L281 HydrophobicContact CG1-CD1 3.84Å; V277-L281 HydrophobicContact CG1-CG 4.49Å; V277-L281 WeakPolarHBondContact O-CB 3.42Å; V277-L281 WeakPolarHBondContact O-CG 3.39Å; V277-L281 PolarHBondContact O-N 2.86Å; V278-L281 PolarHBondContact O-N 2.86Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 2.68Å; L281-K283 PolarHBondContact O-N 2.87Å; L281-V284 PolarHBondContact O-N 2.97Å; L281-V284 VanDerWaalsContact O-N 3.13Å; L281-I286 HydrophobicContact CD2-CD1 4.43Å
282Q89.5Confident81Confident85 Ų8574.3 Ų74.340%0.39740%0.396SS..Hα-helixtrans-64.5-23.6174.9-74171.7-12.300113.6H199 V278 Y279 I280H199-Q282 PolarHBondContact CD2-NE2 2.93Å; H199-Q282 PolarHBondContact NE2-NE2 3.26Å; V278-Q282 VanDerWaalsContact O-CG 3.32Å; V278-Q282 WeakPolarHBondContact O-CG 3.45Å; V278-Q282 PolarHBondContact O-N 3.46Å; Y279-Q282 PolarHBondContact O-N 2.95Å; I280-Q282 VanDerWaalsContact C-N 3.31Å; I280-Q282 PolarHBondContact O-N 3.35Å
283K85.3Confident78.6Confident80 Ų8079.6 Ų79.635%0.34843%0.428SS..Hα-helixtrans-90.9-10.4175.8-60-62.5-177.5-1650112.7M1 E206 Y279 I280 L281M1-K283 HydrophobicContact CB-CB 4.29Å; M1-K283 VanDerWaalsContact CB-O 3.3Å; M1-K283 WeakPolarHBondContact CB-O 3.44Å; M1-K283 HydrophobicContact CE-CB 3.79Å; M1-K283 HydrophobicContact CE-CG 4.32Å; M1-K283 PolarHBondContact N-O 3.13Å; E206-K283 IonicContact OE1-NZ 2.72Å; E206-K283 PolarHBondContact OE1-NZ 3.09Å; Y279-K283 HydrophobicContact CE1-CG 4.3Å; Y279-K283 WeakPolarHBondContact O-CG 3.31Å; Y279-K283 PolarHBondContact O-N 2.83Å; Y279-K283 VanDerWaalsContact OH-CE 3.23Å; Y279-K283 WeakPolarHBondContact OH-CE 3.43Å; I280-K283 PolarHBondContact O-N 3.5Å; L281-K283 PolarHBondContact O-N 2.87Å
284V79.7Confident76.1Confident32 Ų3287.1 Ų87.119%0.19446%0.464CS..SBendtrans-79.8130170.4179.50000107.4M1 F8 I280 L281 I286M1-V284 HydrophobicContact CB-CG2 4.36Å; F8-V284 HydrophobicContact CD2-CG2 3.72Å; F8-V284 HydrophobicContact CE2-CG1 4.42Å; F8-V284 HydrophobicContact CE2-CG2 3.76Å; I280-V284 WeakPolarHBondContact O-CG2 3.4Å; I280-V284 PolarHBondContact O-N 2.91Å; L281-V284 PolarHBondContact O-N 2.97Å; L281-V284 VanDerWaalsContact O-N 3.13Å; V284-I286 VanDerWaalsContact C-N 3.28Å; V284-I286 HydrophobicContact CB-CG1 4.18Å; V284-I286 HydrophobicContact CG1-CG1 3.86Å; V284-I286 PolarHBondContact O-N 2.84Å
285D70.9Confident74Confident150 Ų15089 Ų8980%0.80248%0.477SS*.  trans-75.287.2175.8-169.914.6000108.2P287D285-P287 WeakPolarHBondContact O-CD 3.45Å
286I66.8Low71.6Confident104 Ų10498.3 Ų98.353%0.53352%0.518SS..  trans-90.1112.7176.2-57.5176.4000106.6L281 V284 N288L281-I286 HydrophobicContact CD2-CD1 4.43Å; V284-I286 VanDerWaalsContact C-N 3.28Å; V284-I286 HydrophobicContact CB-CG1 4.18Å; V284-I286 HydrophobicContact CG1-CG1 3.86Å; V284-I286 PolarHBondContact O-N 2.84Å; I286-N288 PolarHBondContact O-N 2.66Å
287P66.1Low68.8Low103 Ų103111.5 Ų111.567%0.66958%0.575SS**  trans-61.8130.3-177.623.7-32.2000110.5D285 L289D285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-L289 PolarHBondContact O-N 3.09Å
288N65.3Low67.5Low152 Ų152115.9 Ų115.981%0.81360%0.596SS**  trans-60.7129.3169.1-78.2-36.8000109.2I286 A290I286-N288 PolarHBondContact O-N 2.66Å; N288-A290 PolarHBondContact O-N 3.11Å
289L63Low66Low170 Ų170121.1 Ų121.189%0.8962%0.622SS**SBendtrans-67.7-2.4175.2-87108000113.9P287 S291P287-L289 PolarHBondContact O-N 3.09Å; L289-S291 PolarHBondContact O-N 3.25Å
290A55.6Low64.3Low95 Ų95127.5 Ų127.579%0.78566%0.656SS**THydrogen-bonded Turntrans-8575.4-175.900000112.4N288N288-A290 PolarHBondContact O-N 3.11Å
291S51.8Low62.5Low108 Ų108135 Ų13576%0.75569%0.694SS**THydrogen-bonded Turntrans-148.12.1154.765.40000116.5L289L289-S291 PolarHBondContact O-N 3.25Å
292K46.2Very low60.8Low193 Ų193138.9 Ų138.984%0.83971%0.714SS**SBendtrans-133.111.4-174.8-83-165.5177-178.80119.3
293T46.9Very low58.8Low111 Ų111142.5 Ų142.568%0.68174%0.735SS**  trans-126.881.4169.615.50000109.6F295T293-F295 PolarHBondContact O-N 2.72Å
294E45.5Very low56.9Low177 Ų177147 Ų14783%0.82776%0.763SS**  trans-43.6105.1135-71.7-178.6158.500106.2K296E294-K296 PolarHBondContact O-N 2.76Å
295F52.4Low55.2Low190 Ų190155.8 Ų155.883%0.83381%0.807SS**  trans-58.496.6164.4-77.8-95.3000105.4T293 K297T293-F295 PolarHBondContact O-N 2.72Å; F295-K297 PolarHBondContact O-N 2.87Å
296K46.2Very low53.9Low197 Ų197156.3 Ų156.386%0.85781%0.807SS**  trans-55.3108.5166.7-76.1-174.4175.1-177.50105.7E294E294-K296 PolarHBondContact O-N 2.76Å
297K41Very low52.7Low276 Ų276161.1 Ų161.1100%1.283%0.832SS**  trans-590165.7-80.6-176.5174179.70109.9F295F295-K297 PolarHBondContact O-N 2.87Å

Retrieved 297 of 297 residues in 219 ms (Link to these results)

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