A0A077ZL62_TRITR Loading...

tRNA (uracil(54)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZL62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 289 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
1M86Confident93.5Very high55 Ų5566.5 Ų66.527%0.27138%0.381SS..  0138.40174.8-146.9-61.500110.5C3 I17 E52 Q53 P88 L89M1-C3 HydrophobicContact SD-CB 4.35Å; M1-I17 HydrophobicContact CB-CG1 4.49Å; M1-I17 HydrophobicContact CG-CD1 4.43Å; M1-I17 HydrophobicContact SD-CD1 3.54Å; M1-I17 VanDerWaalsContact SD-CD1 3.54Å; M1-I17 HydrophobicContact SD-CG1 4.04Å; M1-E52 WeakPolarHBondContact CE-O 3.38Å; M1-E52 PolarHBondContact N-OE2 3.48Å; M1-Q53 HydrophobicContact CB-CG 4.05Å; M1-Q53 HydrophobicContact CE-CG 4.3Å; M1-Q53 HydrophobicContact CG-CG 3.68Å; M1-P88 HydrophobicContact CG-CB 3.95Å; M1-P88 HydrophobicContact CG-CG 4.35Å; M1-P88 HydrophobicContact SD-CB 3.86Å; M1-P88 HydrophobicContact SD-CG 4.12Å; M1-L89 HydrophobicContact CE-CD2 3.49Å; M1-L89 VanDerWaalsContact CE-CD2 3.49Å; M1-L89 HydrophobicContact CE-CG 4.44Å
2Q88.9Confident93.4Very high169 Ų16972.3 Ų72.379%0.7939%0.392SS*.  trans-100.4139.5167.1-69.8176.8-14.200110.4P88Q2-P88 WeakPolarHBondContact O-CG 3.44Å
3C95Very high93.3Very high15 Ų1572.8 Ų72.810%0.10141%0.405CS..  trans-140108.6179.7175.10000109.7M1 L5 Y6 D7 I17 P88M1-C3 HydrophobicContact SD-CB 4.35Å; C3-L5 PolarHBondContact O-N 2.71Å; C3-L5 VanDerWaalsContact O-N 3.14Å; C3-Y6 WeakPolarHBondContact O-CA 3.23Å; C3-Y6 WeakPolarHBondContact O-CB 3.48Å; C3-Y6 PolarHBondContact O-N 3.13Å; C3-D7 VanDerWaalsContact O-CG 3.32Å; C3-D7 PolarHBondContact O-N 3.38Å; C3-I17 HydrophobicContact CB-CD1 3.44Å; C3-I17 VanDerWaalsContact CB-CD1 3.44Å; C3-P88 HydrophobicContact CB-CG 4.12Å
4A95Very high93.4Very high81 Ų8170.4 Ų70.467%0.66939%0.394SS*.Hα-helixtrans-56.3-35.8-175.400000113.4D7 A8A4-D7 PolarHBondContact O-N 2.7Å; A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 2.64Å
5L95.5Very high93.3Very high27 Ų2775.9 Ų75.914%0.14142%0.416CS..Hα-helixtrans-70.5-33.7177.1-63.9176.4000112.6C3 G9 R10 C11 D83 L84C3-L5 PolarHBondContact O-N 2.71Å; C3-L5 VanDerWaalsContact O-N 3.14Å; L5-G9 PolarHBondContact O-N 3.38Å; L5-R10 HydrophobicContact CD2-CB 4.3Å; L5-R10 WeakPolarHBondContact O-CA 3.42Å; L5-R10 PolarHBondContact O-N 3.5Å; L5-C11 HydrophobicContact CB-CB 3.76Å; L5-C11 PolarHBondContact O-N 3.31Å; L5-D83 VanDerWaalsContact CD1-O 3.28Å; L5-D83 WeakPolarHBondContact CD1-O 3.45Å; L5-L84 HydrophobicContact CD1-CD2 3.74Å
6Y95.6Very high93.3Very high35 Ų3576.9 Ų76.914%0.13741%0.412CS..Hα-helixtrans-70.3-44.5174.4-176.2-86.9000110.9C3 A8 G9 C11 R12 C14 I17 T18C3-Y6 WeakPolarHBondContact O-CA 3.23Å; C3-Y6 WeakPolarHBondContact O-CB 3.48Å; C3-Y6 PolarHBondContact O-N 3.13Å; Y6-A8 VanDerWaalsContact C-N 3.28Å; Y6-A8 PolarHBondContact O-N 2.89Å; Y6-G9 PolarHBondContact O-N 2.96Å; Y6-C11 VanDerWaalsContact CA-O 3.3Å; Y6-C11 WeakPolarHBondContact CA-O 3.28Å; Y6-C11 WeakPolarHBondContact CD2-O 3.17Å; Y6-R12 PolarHBondContact O-NH1 2.94Å; Y6-C14 WeakPolarHBondContact CE2-O 3.31Å; Y6-I17 HydrophobicContact CD1-CG2 3.5Å; Y6-I17 HydrophobicContact CD2-CG2 3.56Å; Y6-I17 HydrophobicContact CE1-CG2 3.33Å; Y6-I17 HydrophobicContact CE2-CG2 3.36Å; Y6-I17 HydrophobicContact CG-CD1 4.38Å; Y6-I17 HydrophobicContact CG-CG2 3.61Å; Y6-T18 HydrophobicContact CE1-CG2 3.67Å
7D94.9Very high93.4Very high112 Ų11273.8 Ų73.860%0.59939%0.394SS*.Hα-helixtrans-63.1-37.9179.4-60.2-25.6000111C3 A4 G9C3-D7 VanDerWaalsContact O-CG 3.32Å; C3-D7 PolarHBondContact O-N 3.38Å; A4-D7 PolarHBondContact O-N 2.7Å; D7-G9 PolarHBondContact O-N 3.22Å
8A95.1Very high93.4Very high66 Ų6675.3 Ų75.355%0.54541%0.407SS..THydrogen-bonded Turntrans-75.6-1.8173.400000114.4A4 Y6 R10A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 2.64Å; Y6-A8 VanDerWaalsContact C-N 3.28Å; Y6-A8 PolarHBondContact O-N 2.89Å; A8-R10 HydrophobicContact CB-CG 4.21Å; A8-R10 PolarHBondContact O-N 2.92Å
9G93Very high93.4Very high38 Ų3875.6 Ų75.639%0.39241%0.406SS..THydrogen-bonded Turntrans69.411.3-177.700000115.4L5 Y6 D7L5-G9 PolarHBondContact O-N 3.38Å; Y6-G9 PolarHBondContact O-N 2.96Å; D7-G9 PolarHBondContact O-N 3.22Å
10R94.1Very high93.5Very high120 Ų12075.1 Ų75.145%0.45341%0.406SS..SBendtrans-86.3-20.9-177.6-73.1176.361.6-165.30.6113.7L5 A8 H76 E82L5-R10 HydrophobicContact CD2-CB 4.3Å; L5-R10 WeakPolarHBondContact O-CA 3.42Å; L5-R10 PolarHBondContact O-N 3.5Å; A8-R10 HydrophobicContact CB-CG 4.21Å; A8-R10 PolarHBondContact O-N 2.92Å; R10-H76 PolarHBondContact O-CE1 3.14Å; R10-H76 PolarHBondContact O-NE2 2.85Å; R10-E82 WeakPolarHBondContact CB-OE1 3.37Å; R10-E82 IonicContact CZ-OE2 3.14Å; R10-E82 IonicContact NE-OE1 3.45Å; R10-E82 PolarHBondContact NE-OE1 3.32Å; R10-E82 IonicContact NE-OE2 2.82Å; R10-E82 PolarHBondContact NE-OE2 3.07Å; R10-E82 IonicContact NH2-OE2 2.64Å; R10-E82 PolarHBondContact NH2-OE2 3.23Å
11C94.9Very high93.5Very high13 Ų1373.5 Ų73.59%0.08840%0.397CS..  trans-138.7126.5174.4179.30000110.2L5 Y6L5-C11 HydrophobicContact CB-CB 3.76Å; L5-C11 PolarHBondContact O-N 3.31Å; Y6-C11 VanDerWaalsContact CA-O 3.3Å; Y6-C11 WeakPolarHBondContact CA-O 3.28Å; Y6-C11 WeakPolarHBondContact CD2-O 3.17Å
12R92.6Very high93.9Very high136 Ų13675.5 Ų75.551%0.51341%0.414SS..  trans-119.820.5-179.5-64-63.2-170.6-165.7-1.7113.4Y6 C14Y6-R12 PolarHBondContact O-NH1 2.94Å; R12-C14 VanDerWaalsContact C-N 3.32Å; R12-C14 PolarHBondContact O-N 3.4Å
13S92.6Very high94.3Very high80 Ų8073 Ų7356%0.55940%0.402SS*.  trans-63.6-34.8-177.5-59.80000113.2Q15S13-Q15 PolarHBondContact O-N 3.32Å
14C94.1Very high94.4Very high38 Ų3873.4 Ų73.426%0.25740%0.403SS..  trans-93.884.8178.4-60.70000110.4Y6 R12 W16 I17Y6-C14 WeakPolarHBondContact CE2-O 3.31Å; R12-C14 VanDerWaalsContact C-N 3.32Å; R12-C14 PolarHBondContact O-N 3.4Å; C14-W16 VanDerWaalsContact C-N 3.25Å; C14-W16 PolarHBondContact O-N 3.03Å; C14-I17 HydrophobicContact CB-CB 3.96Å; C14-I17 HydrophobicContact CB-CD1 4.43Å; C14-I17 WeakPolarHBondContact O-CB 3.48Å; C14-I17 WeakPolarHBondContact O-CG2 3.5Å; C14-I17 PolarHBondContact O-N 3.28Å
15Q92.4Very high94.4Very high154 Ų15471.4 Ų71.472%0.7238%0.381SS*.THydrogen-bonded Turntrans-61.4-31.1-173.2-66.3178-10.500114S13S13-Q15 PolarHBondContact O-N 3.32Å
16W93.6Very high94.5Very high92 Ų9274 Ų7435%0.34840%0.402SS..THydrogen-bonded Turntrans-101.310.9-174.1-67.629000112.7C14 T18 Q19 Q24 A27 K28C14-W16 VanDerWaalsContact C-N 3.25Å; C14-W16 PolarHBondContact O-N 3.03Å; W16-T18 PolarHBondContact O-N 3.3Å; W16-T18 VanDerWaalsContact O-N 3.1Å; W16-Q19 VanDerWaalsContact CD2-OE1 3.24Å; W16-Q19 WeakPolarHBondContact O-CB 3.43Å; W16-Q19 PolarHBondContact O-N 2.92Å; W16-Q24 HydrophobicContact CB-CG 4.37Å; W16-Q24 HydrophobicContact CE3-CB 3.59Å; W16-Q24 HydrophobicContact CE3-CG 3.59Å; W16-Q24 HydrophobicContact CZ3-CB 3.86Å; W16-Q24 HydrophobicContact CZ3-CG 4.3Å; W16-Q24 PolarHBondContact O-NE2 2.97Å; W16-A27 HydrophobicContact CH2-CB 4Å; W16-A27 HydrophobicContact CZ3-CB 4.09Å; W16-K28 HydrophobicContact CH2-CG 4.07Å; W16-K28 HydrophobicContact CZ3-CD 4.3Å; W16-K28 HydrophobicContact CZ3-CG 3.95Å
17I94Very high94.5Very high23 Ų2374.7 Ų74.712%0.11841%0.414CS..THydrogen-bonded Turntrans-58.6-28.7-172.7-167.9173.3000114.1M1 C3 Y6 C14 Q19M1-I17 HydrophobicContact CB-CG1 4.49Å; M1-I17 HydrophobicContact CG-CD1 4.43Å; M1-I17 HydrophobicContact SD-CD1 3.54Å; M1-I17 VanDerWaalsContact SD-CD1 3.54Å; M1-I17 HydrophobicContact SD-CG1 4.04Å; C3-I17 HydrophobicContact CB-CD1 3.44Å; C3-I17 VanDerWaalsContact CB-CD1 3.44Å; Y6-I17 HydrophobicContact CD1-CG2 3.5Å; Y6-I17 HydrophobicContact CD2-CG2 3.56Å; Y6-I17 HydrophobicContact CE1-CG2 3.33Å; Y6-I17 HydrophobicContact CE2-CG2 3.36Å; Y6-I17 HydrophobicContact CG-CD1 4.38Å; Y6-I17 HydrophobicContact CG-CG2 3.61Å; C14-I17 HydrophobicContact CB-CB 3.96Å; C14-I17 HydrophobicContact CB-CD1 4.43Å; C14-I17 WeakPolarHBondContact O-CB 3.48Å; C14-I17 WeakPolarHBondContact O-CG2 3.5Å; C14-I17 PolarHBondContact O-N 3.28Å; I17-Q19 VanDerWaalsContact C-N 3.33Å
18T93.3Very high94.6Very high102 Ų10274.5 Ų74.563%0.62641%0.408SS*.THydrogen-bonded Turntrans-81.5-12.117853.60000113.5Y6 W16Y6-T18 HydrophobicContact CE1-CG2 3.67Å; W16-T18 PolarHBondContact O-N 3.3Å; W16-T18 VanDerWaalsContact O-N 3.1Å
19Q94.4Very high94.7Very high81 Ų8173.2 Ų73.238%0.37939%0.393SS..SBendtrans-93.1127.6179.2-66.7177.7-38.500109.8W16 I17 Q24W16-Q19 VanDerWaalsContact CD2-OE1 3.24Å; W16-Q19 WeakPolarHBondContact O-CB 3.43Å; W16-Q19 PolarHBondContact O-N 2.92Å; I17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-Q24 HydrophobicContact CB-CG 3.9Å; Q19-Q24 PolarHBondContact O-NE2 2.97Å
20P94.4Very high94.9Very high64 Ų6473.7 Ų73.742%0.41639%0.393SS..  trans-57.1141.6173.7-25.734.9000112.5P22 E23 Q24P20-P22 VanDerWaalsContact C-CD 3.47Å; P20-P22 VanDerWaalsContact C-N 3.35Å; P20-E23 HydrophobicContact CB-CG 4.47Å; P20-E23 WeakPolarHBondContact O-CB 3.44Å; P20-E23 PolarHBondContact O-N 3.32Å; P20-Q24 WeakPolarHBondContact O-CG 3.05Å; P20-Q24 PolarHBondContact O-N 2.87Å
21I94Very high95Very high42 Ų4272.6 Ų72.622%0.21540%0.397CS..Hα-helixtrans-52.1-43.2-178.4-68.1-65.6000113.8E23 Q24 L25 E52I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 2.88Å; I21-Q24 WeakPolarHBondContact O-CB 3.44Å; I21-Q24 PolarHBondContact O-N 3.13Å; I21-Q24 VanDerWaalsContact O-N 3.08Å; I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 2.9Å; I21-E52 HydrophobicContact CD1-CG 4.05Å; I21-E52 HydrophobicContact CG1-CG 3.49Å; I21-E52 VanDerWaalsContact CG1-CG 3.49Å; I21-E52 VanDerWaalsContact CG1-OE1 3.23Å; I21-E52 WeakPolarHBondContact CG1-OE1 3.24Å
22P95Very high95.1Very high97 Ų9776 Ų7663%0.6341%0.414SS*.Hα-helixtrans-57.7-38.8177.3-26.836.4000113.3P20 L25 S26P20-P22 VanDerWaalsContact C-CD 3.47Å; P20-P22 VanDerWaalsContact C-N 3.35Å; P22-L25 PolarHBondContact O-N 2.88Å; P22-S26 WeakPolarHBondContact O-CB 3.01Å; P22-S26 PolarHBondContact O-N 3.25Å
23E96.7Very high95.3Very high116 Ų11673.9 Ų73.954%0.54241%0.408SS..Hα-helixtrans-68.9-41175.4-64.6175.6-15400111P20 I21 L25 S26 A27P20-E23 HydrophobicContact CB-CG 4.47Å; P20-E23 WeakPolarHBondContact O-CB 3.44Å; P20-E23 PolarHBondContact O-N 3.32Å; I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 2.88Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.12Å; E23-S26 PolarHBondContact O-N 3.31Å; E23-A27 WeakPolarHBondContact O-CB 3.5Å; E23-A27 PolarHBondContact O-N 2.88Å
24Q96.2Very high95.6Very high24 Ų2475.8 Ų75.811%0.11241%0.412CS..Hα-helixtrans-59.9-45.1175.7-57.7-16723.300111.8W16 Q19 P20 I21 A27 K28W16-Q24 HydrophobicContact CB-CG 4.37Å; W16-Q24 HydrophobicContact CE3-CB 3.59Å; W16-Q24 HydrophobicContact CE3-CG 3.59Å; W16-Q24 HydrophobicContact CZ3-CB 3.86Å; W16-Q24 HydrophobicContact CZ3-CG 4.3Å; W16-Q24 PolarHBondContact O-NE2 2.97Å; Q19-Q24 HydrophobicContact CB-CG 3.9Å; Q19-Q24 PolarHBondContact O-NE2 2.97Å; P20-Q24 WeakPolarHBondContact O-CG 3.05Å; P20-Q24 PolarHBondContact O-N 2.87Å; I21-Q24 WeakPolarHBondContact O-CB 3.44Å; I21-Q24 PolarHBondContact O-N 3.13Å; I21-Q24 VanDerWaalsContact O-N 3.08Å; Q24-A27 PolarHBondContact O-N 3Å; Q24-K28 WeakPolarHBondContact O-CB 3.37Å; Q24-K28 VanDerWaalsContact O-CG 3.26Å; Q24-K28 WeakPolarHBondContact O-CG 3.05Å; Q24-K28 PolarHBondContact O-N 3.21Å
25L96.3Very high95.7Very high39 Ų3979.7 Ų79.720%0.20443%0.43CS..Hα-helixtrans-65.8-45.1178.6-67.1175.2000110.4I21 P22 E23 A27 K28 T29 P47I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 2.9Å; P22-L25 PolarHBondContact O-N 2.88Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.12Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.45Å; L25-K28 PolarHBondContact O-N 3.31Å; L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 PolarHBondContact O-N 2.95Å; L25-T29 PolarHBondContact O-OG1 2.94Å; L25-P47 HydrophobicContact CB-CG 4.23Å; L25-P47 HydrophobicContact CD1-CG 4.42Å; L25-P47 HydrophobicContact CD2-CB 4.26Å; L25-P47 HydrophobicContact CD2-CG 4.4Å
26S96.7Very high96Very high83 Ų8375.2 Ų75.258%0.5841%0.41SS*.Hα-helixtrans-57.8-46.4176-173.70000111.9P22 E23 T29 A30P22-S26 WeakPolarHBondContact O-CB 3.01Å; P22-S26 PolarHBondContact O-N 3.25Å; E23-S26 PolarHBondContact O-N 3.31Å; S26-T29 PolarHBondContact O-N 3.47Å; S26-A30 WeakPolarHBondContact O-CB 3.42Å; S26-A30 PolarHBondContact O-N 3.27Å
27A97Very high96.1Very high48 Ų4874.3 Ų74.340%0.39742%0.422SS..Hα-helixtrans-63.6-44.9178.200000112.1W16 E23 Q24 L25 A30 D31W16-A27 HydrophobicContact CH2-CB 4Å; W16-A27 HydrophobicContact CZ3-CB 4.09Å; E23-A27 WeakPolarHBondContact O-CB 3.5Å; E23-A27 PolarHBondContact O-N 2.88Å; Q24-A27 PolarHBondContact O-N 3Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.45Å; A27-A30 PolarHBondContact O-N 2.93Å; A27-D31 WeakPolarHBondContact O-CB 3.32Å; A27-D31 PolarHBondContact O-N 3.19Å
28K96.5Very high96.2Very high108 Ų10880.7 Ų80.747%0.4746%0.457SS..Hα-helixtrans-65.5-38.7177.2-72.9169.3-178.7171.90112.5W16 Q24 L25 D31 L32W16-K28 HydrophobicContact CH2-CG 4.07Å; W16-K28 HydrophobicContact CZ3-CD 4.3Å; W16-K28 HydrophobicContact CZ3-CG 3.95Å; Q24-K28 WeakPolarHBondContact O-CB 3.37Å; Q24-K28 VanDerWaalsContact O-CG 3.26Å; Q24-K28 WeakPolarHBondContact O-CG 3.05Å; Q24-K28 PolarHBondContact O-N 3.21Å; L25-K28 PolarHBondContact O-N 3.31Å; K28-D31 PolarHBondContact O-N 3.09Å; K28-L32 WeakPolarHBondContact O-CB 3.37Å; K28-L32 PolarHBondContact O-N 3.28Å
29T96.5Very high96.4Very high40 Ų4082.1 Ų82.125%0.24546%0.455CS..Hα-helixtrans-67.2-39.8175.5-64.10000111.2L25 S26 K33L25-T29 WeakPolarHBondContact O-CB 3.48Å; L25-T29 PolarHBondContact O-N 2.95Å; L25-T29 PolarHBondContact O-OG1 2.94Å; S26-T29 PolarHBondContact O-N 3.47Å; T29-K33 HydrophobicContact CG2-CD 4.31Å; T29-K33 WeakPolarHBondContact O-CB 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.35Å; T29-K33 PolarHBondContact O-N 2.98Å
30A97Very high96.3Very high47 Ų4784.3 Ų84.339%0.38848%0.476SS..Hα-helixtrans-63.3-44174.400000111.6S26 A27 K33 N34S26-A30 WeakPolarHBondContact O-CB 3.42Å; S26-A30 PolarHBondContact O-N 3.27Å; A27-A30 PolarHBondContact O-N 2.93Å; A30-K33 PolarHBondContact O-N 3.33Å; A30-N34 VanDerWaalsContact O-CG 3.25Å; A30-N34 PolarHBondContact O-N 3.46Å; A30-N34 PolarHBondContact O-ND2 2.81Å
31D97.4Very high96.3Very high98 Ų9883.9 Ų83.952%0.52447%0.472SS..Hα-helixtrans-60.9-47.1176-171.455.9000112.1A27 K28 K33 N34 L35A27-D31 WeakPolarHBondContact O-CB 3.32Å; A27-D31 PolarHBondContact O-N 3.19Å; K28-D31 PolarHBondContact O-N 3.09Å; D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 3.44Å; D31-N34 WeakPolarHBondContact O-CB 3.28Å; D31-N34 PolarHBondContact O-N 3.45Å; D31-N34 VanDerWaalsContact O-N 3.16Å; D31-L35 WeakPolarHBondContact O-CG 3.47Å; D31-L35 PolarHBondContact O-N 3.02Å
32L96.7Very high96.2Very high85 Ų8589 Ų8945%0.44550%0.504SS..Hα-helixtrans-59.1-42175.618064.4000112.5K28 N34 L35 L36 W44K28-L32 WeakPolarHBondContact O-CB 3.37Å; K28-L32 PolarHBondContact O-N 3.28Å; L32-N34 VanDerWaalsContact C-N 3.33Å; L32-N34 PolarHBondContact O-N 3.02Å; L32-L35 PolarHBondContact O-N 3.12Å; L32-L36 HydrophobicContact CD1-CD1 3.88Å; L32-L36 HydrophobicContact CD1-CG 4.28Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 PolarHBondContact O-N 3.35Å; L32-L36 VanDerWaalsContact O-N 3.08Å; L32-W44 HydrophobicContact CD2-CZ3 3.98Å; L32-W44 HydrophobicContact CG-CZ3 3.97Å
33K96.7Very high96.1Very high90 Ų9091.1 Ų91.139%0.39151%0.506SS..Hα-helixtrans-62.4-40.7176.4-77.5177.5174.4-173.80112T29 A30 D31 L36 A37 W44T29-K33 HydrophobicContact CG2-CD 4.31Å; T29-K33 WeakPolarHBondContact O-CB 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.35Å; T29-K33 PolarHBondContact O-N 2.98Å; A30-K33 PolarHBondContact O-N 3.33Å; D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 3.44Å; K33-L36 CarbonylContact O-C 3.51Å; K33-L36 PolarHBondContact O-N 2.95Å; K33-A37 PolarHBondContact O-N 2.98Å; K33-A37 VanDerWaalsContact O-N 3.11Å; K33-W44 HydrophobicContact CB-CH2 4.16Å; K33-W44 HydrophobicContact CB-CZ2 4.3Å; K33-W44 HydrophobicContact CD-CD2 4.41Å; K33-W44 HydrophobicContact CG-CD2 3.95Å; K33-W44 HydrophobicContact CG-CE3 3.87Å; K33-W44 HydrophobicContact CG-CH2 3.57Å; K33-W44 HydrophobicContact CG-CZ2 3.65Å; K33-W44 HydrophobicContact CG-CZ3 3.68Å
34N97.8Very high96Very high120 Ų12090.5 Ų90.564%0.64250%0.499SS*.Hα-helixtrans-66.5-41.9176.5-67.6-21.2000111.7A30 D31 L32 L36 A37A30-N34 VanDerWaalsContact O-CG 3.25Å; A30-N34 PolarHBondContact O-N 3.46Å; A30-N34 PolarHBondContact O-ND2 2.81Å; D31-N34 WeakPolarHBondContact O-CB 3.28Å; D31-N34 PolarHBondContact O-N 3.45Å; D31-N34 VanDerWaalsContact O-N 3.16Å; L32-N34 VanDerWaalsContact C-N 3.33Å; L32-N34 PolarHBondContact O-N 3.02Å; N34-L36 PolarHBondContact O-N 3.24Å; N34-A37 WeakPolarHBondContact O-CB 3.21Å; N34-A37 PolarHBondContact O-N 2.88Å
35L97.8Very high95.7Very high121 Ų12193 Ų9363%0.63452%0.518SS*.Hα-helixtrans-63.9-29.5177.3-72.5170.5000113.1D31 L32D31-L35 WeakPolarHBondContact O-CG 3.47Å; D31-L35 PolarHBondContact O-N 3.02Å; L32-L35 PolarHBondContact O-N 3.12Å
36L97.2Very high95.5Very high59 Ų5995.4 Ų95.431%0.30954%0.544SS..THydrogen-bonded Turntrans-103.413.9-179.7-62.3179.5000113.4L32 K33 N34 D38 F39 V41 W44L32-L36 HydrophobicContact CD1-CD1 3.88Å; L32-L36 HydrophobicContact CD1-CG 4.28Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 PolarHBondContact O-N 3.35Å; L32-L36 VanDerWaalsContact O-N 3.08Å; K33-L36 CarbonylContact O-C 3.51Å; K33-L36 PolarHBondContact O-N 2.95Å; N34-L36 PolarHBondContact O-N 3.24Å; L36-D38 PolarHBondContact O-N 3.32Å; L36-D38 VanDerWaalsContact O-N 3.15Å; L36-F39 HydrophobicContact CD2-CD2 4Å; L36-F39 HydrophobicContact CD2-CE2 4.44Å; L36-F39 PolarHBondContact O-N 3.24Å; L36-V41 HydrophobicContact CB-CG2 4.14Å; L36-V41 HydrophobicContact CD1-CG2 4.3Å; L36-W44 HydrophobicContact CB-CH2 4.1Å; L36-W44 HydrophobicContact CD1-CH2 4Å; L36-W44 HydrophobicContact CD1-CZ3 4.44Å
37A95.7Very high95.4Very high73 Ų7394.6 Ų94.660%0.60354%0.536SS*.THydrogen-bonded Turntrans-58.4-31.4-173.700000113.7K33 N34 F39K33-A37 PolarHBondContact O-N 2.98Å; K33-A37 VanDerWaalsContact O-N 3.11Å; N34-A37 WeakPolarHBondContact O-CB 3.21Å; N34-A37 PolarHBondContact O-N 2.88Å; A37-F39 VanDerWaalsContact C-N 3.32Å
38D97Very high95.2Very high157 Ų15794.7 Ų94.784%0.8453%0.532SS*.THydrogen-bonded Turntrans-84.4-4.3-179.8-64-31.5000113.6L36L36-D38 PolarHBondContact O-N 3.32Å; L36-D38 VanDerWaalsContact O-N 3.15Å
39F96.7Very high95.1Very high133 Ų13392 Ų9258%0.58353%0.527SS*.SBendtrans-106138.8-179.7-61.3-85.8000110.9L36 A37 V41L36-F39 HydrophobicContact CD2-CD2 4Å; L36-F39 HydrophobicContact CD2-CE2 4.44Å; L36-F39 PolarHBondContact O-N 3.24Å; A37-F39 VanDerWaalsContact C-N 3.32Å; F39-V41 VanDerWaalsContact C-N 3.27Å; F39-V41 PolarHBondContact O-N 2.89Å
40P94.1Very high94.9Very high127 Ų12791.5 Ų91.583%0.82553%0.529SS*.  trans-75.278.6178.131.9-35.2000110.8V42P40-V42 PolarHBondContact O-N 2.98Å
41V94.1Very high94.7Very high55 Ų5592.5 Ų92.533%0.33353%0.532SS..  trans-74.9111.6174.7-178.30000109.1L36 F39 E43 W44L36-V41 HydrophobicContact CB-CG2 4.14Å; L36-V41 HydrophobicContact CD1-CG2 4.3Å; F39-V41 VanDerWaalsContact C-N 3.27Å; F39-V41 PolarHBondContact O-N 2.89Å; V41-E43 VanDerWaalsContact CG1-O 3.3Å; V41-E43 WeakPolarHBondContact CG1-O 3.34Å; V41-W44 HydrophobicContact CB-CH2 4.45Å; V41-W44 HydrophobicContact CB-CZ2 3.74Å; V41-W44 HydrophobicContact CG1-CD2 4.03Å; V41-W44 HydrophobicContact CG1-CE3 4.49Å; V41-W44 HydrophobicContact CG1-CH2 4.25Å; V41-W44 HydrophobicContact CG1-CZ2 3.75Å; V41-W44 HydrophobicContact CG2-CH2 4.16Å; V41-W44 HydrophobicContact CG2-CZ2 3.83Å
42V91.7Very high94.5Very high148 Ų14891.9 Ų91.990%0.89753%0.526SS*.  trans-72-34.5-175.9179.40000112.2P40P40-V42 PolarHBondContact O-N 2.98Å
43E93.3Very high94.5Very high143 Ų14392.8 Ų92.867%0.66853%0.528SS*.  trans-142.8139.3-174.9-175.1177.4-163.700111.5V41V41-E43 VanDerWaalsContact CG1-O 3.3Å; V41-E43 WeakPolarHBondContact CG1-O 3.34Å
44W92.8Very high94.4Very high102 Ų10289.9 Ų89.939%0.38652%0.523SS..  trans-112.498.3172.3-67.796.2000109.8L32 K33 L36 V41L32-W44 HydrophobicContact CD2-CZ3 3.98Å; L32-W44 HydrophobicContact CG-CZ3 3.97Å; K33-W44 HydrophobicContact CB-CH2 4.16Å; K33-W44 HydrophobicContact CB-CZ2 4.3Å; K33-W44 HydrophobicContact CD-CD2 4.41Å; K33-W44 HydrophobicContact CG-CD2 3.95Å; K33-W44 HydrophobicContact CG-CE3 3.87Å; K33-W44 HydrophobicContact CG-CH2 3.57Å; K33-W44 HydrophobicContact CG-CZ2 3.65Å; K33-W44 HydrophobicContact CG-CZ3 3.68Å; L36-W44 HydrophobicContact CB-CH2 4.1Å; L36-W44 HydrophobicContact CD1-CH2 4Å; L36-W44 HydrophobicContact CD1-CZ3 4.44Å; V41-W44 HydrophobicContact CB-CH2 4.45Å; V41-W44 HydrophobicContact CB-CZ2 3.74Å; V41-W44 HydrophobicContact CG1-CD2 4.03Å; V41-W44 HydrophobicContact CG1-CE3 4.49Å; V41-W44 HydrophobicContact CG1-CH2 4.25Å; V41-W44 HydrophobicContact CG1-CZ2 3.75Å; V41-W44 HydrophobicContact CG2-CH2 4.16Å; V41-W44 HydrophobicContact CG2-CZ2 3.83Å
45C91.7Very high94.3Very high76 Ų7686.5 Ų86.551%0.51450%0.503SS..PPolyproline II helixtrans-69.3158.6175.5-60.10000111.9
46A92.2Very high94.3Very high90 Ų9083.9 Ų83.974%0.74449%0.485SS*.PPolyproline II helixtrans-60.7140.7172.500000110.9V48A46-V48 PolarHBondContact O-N 2.93Å
47P94.1Very high94.2Very high66 Ų6681.1 Ų81.143%0.42947%0.47SS..PPolyproline II helixtrans-68.1135.1179.528.3-34.2000110.9L25L25-P47 HydrophobicContact CB-CG 4.23Å; L25-P47 HydrophobicContact CD1-CG 4.42Å; L25-P47 HydrophobicContact CD2-CB 4.26Å; L25-P47 HydrophobicContact CD2-CG 4.4Å
48V92.5Very high94.3Very high50 Ų5079 Ų7930%0.30345%0.448SS..PPolyproline II helixtrans-73.7128.6171176.50000108.9A46 V217 Q220 L221A46-V48 PolarHBondContact O-N 2.93Å; V48-V217 HydrophobicContact CG1-CG1 4.12Å; V48-Q220 HydrophobicContact CG1-CB 3.61Å; V48-Q220 HydrophobicContact CG1-CG 4.34Å; V48-L221 HydrophobicContact CB-CD2 4.31Å; V48-L221 HydrophobicContact CG2-CD2 4.29Å
49S93.4Very high94.3Very high53 Ų5371.6 Ų71.637%0.37141%0.408SS..  trans-131.1166.9175.166.90000111Q220S49-Q220 PolarHBondContact O-NE2 3.29Å
50G93Very high94.3Very high28 Ų2869.1 Ų69.129%0.28940%0.397SS..  trans-133-176.9-17900000111.6
51P94Very high94.4Very high69 Ų6963 Ų6345%0.44836%0.357SS..  trans-62.2146.5179.419-22.8000111.3Q53 F55P51-Q53 VanDerWaalsContact C-N 3.26Å; P51-Q53 PolarHBondContact O-N 2.8Å; P51-F55 HydrophobicContact CG-CB 3.9Å; P51-F55 WeakPolarHBondContact O-CD1 3.21Å
52E93.2Very high94.5Very high85 Ų8561.9 Ų61.940%0.39735%0.351SS..SBendtrans-70.4-23.7178.8-73.8-170.4-156.900113.3M1 I21M1-E52 WeakPolarHBondContact CE-O 3.38Å; M1-E52 PolarHBondContact N-OE2 3.48Å; I21-E52 HydrophobicContact CD1-CG 4.05Å; I21-E52 HydrophobicContact CG1-CG 3.49Å; I21-E52 VanDerWaalsContact CG1-CG 3.49Å; I21-E52 VanDerWaalsContact CG1-OE1 3.23Å; I21-E52 WeakPolarHBondContact CG1-OE1 3.24Å
53Q95.1Very high94.8Very high104 Ų10455 Ų5549%0.48631%0.308SS..SBendtrans-136.4156.5-171.6-68.9179.810300110M1 P51 F55 P88M1-Q53 HydrophobicContact CB-CG 4.05Å; M1-Q53 HydrophobicContact CE-CG 4.3Å; M1-Q53 HydrophobicContact CG-CG 3.68Å; P51-Q53 VanDerWaalsContact C-N 3.26Å; P51-Q53 PolarHBondContact O-N 2.8Å; Q53-F55 PolarHBondContact O-N 3.45Å; Q53-P88 WeakPolarHBondContact CA-O 3.19Å; Q53-P88 WeakPolarHBondContact CB-O 3.46Å; Q53-P88 HydrophobicContact CG-CB 4.24Å
54G95.9Very high94.9Very high28 Ų2848.8 Ų48.829%0.28928%0.281SS..SBendtrans61.59.4176.400000114.9R56 P88 L89 P91G54-R56 VanDerWaalsContact C-N 3.32Å; G54-P88 PolarHBondContact N-O 3.19Å; G54-L89 CarbonylContact C-O 3.5Å; G54-L89 WeakPolarHBondContact CA-O 3.46Å; G54-L89 PolarHBondContact N-O 2.9Å; G54-P91 WeakPolarHBondContact O-CG 3.45Å
55F95.6Very high95Very high50 Ų5046.4 Ų46.422%0.21929%0.288CS..  trans-79.6-18.8-174.267.9-100.4000112.6P51 Q53 N57 L89 N214 P215P51-F55 HydrophobicContact CG-CB 3.9Å; P51-F55 WeakPolarHBondContact O-CD1 3.21Å; Q53-F55 PolarHBondContact O-N 3.45Å; F55-N57 PolarHBondContact O-N 2.97Å; F55-L89 HydrophobicContact CD1-CD2 4.43Å; F55-L89 HydrophobicContact CE1-CD2 3.43Å; F55-L89 VanDerWaalsContact CE1-CD2 3.43Å; F55-L89 HydrophobicContact CZ-CD2 3.58Å; F55-L89 PolarHBondContact N-O 2.79Å; F55-N214 HydrophobicContact CD2-CB 3.92Å; F55-N214 WeakPolarHBondContact CD2-ND2 3.3Å; F55-N214 WeakPolarHBondContact O-CA 3.29Å; F55-P215 WeakPolarHBondContact O-CD 3.35Å
56R96.6Very high95.1Very high65 Ų6545 Ų4525%0.24528%0.279CS..  trans-90.491.9-169-166.5-179.8173.288.6-2.1111.3G54 K58 L89 Y90 P91 T213G54-R56 VanDerWaalsContact C-N 3.32Å; R56-K58 WeakPolarHBondContact CG-O 3.28Å; R56-K58 PolarHBondContact NE-O 2.91Å; R56-K58 PolarHBondContact O-N 2.98Å; R56-L89 HydrophobicContact CB-CB 4.14Å; R56-L89 WeakPolarHBondContact CB-O 3.27Å; R56-L89 PolarHBondContact N-O 2.87Å; R56-Y90 HydrophobicContact CB-CD1 4.25Å; R56-Y90 HydrophobicContact CG-CD1 4.4Å; R56-Y90 HydrophobicContact CG-CE1 4.26Å; R56-P91 WeakPolarHBondContact O-CD 3.48Å; R56-T213 CarbonylContact C-O 3.46Å; R56-T213 VanDerWaalsContact CA-O 3.24Å; R56-T213 WeakPolarHBondContact CA-O 3.19Å; R56-T213 PolarHBondContact NH1-OG1 3.42Å
57N96Very high95.2Very high2 Ų242 Ų421%0.01125%0.252CS..  trans-71.26.7-17982.1-27.3000115.1F55 T128 E129 Q212 T213 P215F55-N57 PolarHBondContact O-N 2.97Å; N57-T128 CarbonylContact O-C 3.5Å; N57-T128 VanDerWaalsContact O-CA 3.28Å; N57-T128 WeakPolarHBondContact O-CA 3.4Å; N57-E129 PolarHBondContact ND2-O 2.82Å; N57-E129 PolarHBondContact O-N 3.46Å; N57-Q212 PolarHBondContact OD1-O 3.25Å; N57-T213 PolarHBondContact N-O 2.77Å; N57-T213 WeakPolarHBondContact OD1-CA 3.28Å; N57-T213 PolarHBondContact OD1-O 3.25Å; N57-P215 HydrophobicContact CB-CG 3.81Å
58K97Very high95.1Very high29 Ų2945.7 Ų45.713%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-137.9117.6-178.7-175.5173.7-77177.50111.7R56 L127 T128 T213R56-K58 WeakPolarHBondContact CG-O 3.28Å; R56-K58 PolarHBondContact NE-O 2.91Å; R56-K58 PolarHBondContact O-N 2.98Å; K58-L127 CarbonylContact C-O 3.6Å; K58-L127 VanDerWaalsContact CA-O 3.24Å; K58-L127 WeakPolarHBondContact CA-O 3.34Å; K58-T128 WeakPolarHBondContact CE-OG1 3.41Å; K58-T213 HydrophobicContact CB-CG2 4.09Å
59A97.2Very high95.3Very high0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-100.214017100000110.8M61 Y90 F94 F98 L126 L127A59-M61 HydrophobicContact CB-CE 3.94Å; A59-M61 HydrophobicContact CB-CG 4.24Å; A59-M61 HydrophobicContact CB-SD 4.36Å; A59-Y90 HydrophobicContact CB-CD1 3.99Å; A59-Y90 HydrophobicContact CB-CE1 3.55Å; A59-Y90 HydrophobicContact CB-CE2 4.31Å; A59-F94 HydrophobicContact CB-CD2 3.94Å; A59-F94 HydrophobicContact CB-CE2 3.64Å; A59-F98 HydrophobicContact CB-CE1 4.37Å; A59-F98 HydrophobicContact CB-CZ 3.8Å; A59-L126 WeakPolarHBondContact O-CA 3.23Å; A59-L127 HydrophobicContact CB-CB 4.37Å; A59-L127 PolarHBondContact N-O 3.5Å; A59-L127 PolarHBondContact O-N 2.75Å
60K96.4Very high95.5Very high81 Ų8149.1 Ų49.135%0.35227%0.268SS..EExtended strand (participates in β ladder)trans-126.494.9175-62.2-174.9163.4-153.30106.8L126 M180K60-L126 HydrophobicContact CB-CD2 4.02Å; K60-L126 HydrophobicContact CG-CD2 4.05Å; K60-M180 HydrophobicContact CB-CE 4.31Å; K60-M180 HydrophobicContact CB-SD 4.22Å; K60-M180 HydrophobicContact CD-CE 3.94Å; K60-M180 HydrophobicContact CD-SD 3.67Å; K60-M180 HydrophobicContact CG-SD 4.23Å
61M97.4Very high95.7Very high0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-103.2117.1-170.3-58.9-55.2-157.400110A59 V63 L72 L84 Y90 F98 Y124 I125A59-M61 HydrophobicContact CB-CE 3.94Å; A59-M61 HydrophobicContact CB-CG 4.24Å; A59-M61 HydrophobicContact CB-SD 4.36Å; M61-V63 PolarHBondContact O-N 3.24Å; M61-L72 HydrophobicContact CB-CB 4.04Å; M61-L72 HydrophobicContact CG-CB 4.21Å; M61-L84 HydrophobicContact CE-CB 4.2Å; M61-L84 HydrophobicContact SD-CB 4.21Å; M61-Y90 HydrophobicContact CE-CD2 3.93Å; M61-Y90 HydrophobicContact CE-CE2 3.3Å; M61-Y90 HydrophobicContact SD-CE2 4.32Å; M61-F98 HydrophobicContact CE-CD2 4.4Å; M61-F98 HydrophobicContact CE-CE1 3.85Å; M61-F98 HydrophobicContact CE-CE2 3.52Å; M61-F98 HydrophobicContact CE-CZ 3.21Å; M61-F98 HydrophobicContact CG-CE1 4.17Å; M61-F98 HydrophobicContact CG-CZ 4.4Å; M61-Y124 CarbonylContact O-C 3.52Å; M61-Y124 WeakPolarHBondContact O-CA 3.42Å; M61-I125 HydrophobicContact CB-CB 4.47Å; M61-I125 PolarHBondContact N-O 3.48Å; M61-I125 PolarHBondContact O-N 2.88Å
62V96.4Very high95.9Very high31 Ų3147 Ų4719%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-63131161.7-174.30000107.8G73 L75 Y124V62-G73 WeakPolarHBondContact CB-O 3.3Å; V62-G73 PolarHBondContact N-O 3.34Å; V62-G73 PolarHBondContact O-N 2.94Å; V62-L75 HydrophobicContact CG1-CD1 3.81Å; V62-L75 HydrophobicContact CG1-CG 3.87Å; V62-Y124 HydrophobicContact CB-CD1 4.41Å; V62-Y124 HydrophobicContact CB-CE1 4.5Å; V62-Y124 HydrophobicContact CG2-CD1 4.03Å; V62-Y124 HydrophobicContact CG2-CE1 3.79Å
63V97.4Very high96.1Very high2 Ų243 Ų431%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-96.5120.5175.1-170.90000108.9M61 P70 L71 L72 I105 P112 L122 K123 I125M61-V63 PolarHBondContact O-N 3.24Å; V63-P70 HydrophobicContact CG1-CB 4.48Å; V63-L71 WeakPolarHBondContact CA-O 3.45Å; V63-L72 HydrophobicContact CB-CD2 4.45Å; V63-L72 HydrophobicContact CG1-CD2 4.1Å; V63-L72 HydrophobicContact CG2-CD2 3.88Å; V63-I105 HydrophobicContact CG1-CD1 4.11Å; V63-P112 HydrophobicContact CG1-CB 4.07Å; V63-P112 HydrophobicContact CG1-CG 3.99Å; V63-L122 HydrophobicContact CB-CD2 4.22Å; V63-L122 HydrophobicContact CB-CG 3.98Å; V63-L122 HydrophobicContact CG1-CD2 3.83Å; V63-L122 HydrophobicContact CG1-CG 4.08Å; V63-L122 HydrophobicContact CG2-CD1 4.38Å; V63-L122 HydrophobicContact CG2-CD2 3.97Å; V63-L122 HydrophobicContact CG2-CG 3.81Å; V63-K123 PolarHBondContact N-O 3.27Å; V63-I125 HydrophobicContact CG2-CB 4.28Å; V63-I125 HydrophobicContact CG2-CD1 4.09Å; V63-I125 HydrophobicContact CG2-CG1 3.86Å
64S95.8Very high96.1Very high13 Ų1340.1 Ų40.19%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-136.4-170.7-17962.70000110.7P70 L71 P81S64-P70 WeakPolarHBondContact O-CA 3.35Å; S64-L71 PolarHBondContact N-O 3.18Å; S64-L71 PolarHBondContact O-N 2.91Å; S64-P81 WeakPolarHBondContact OG-CB 3.36Å
65G94.3Very high95.9Very high52 Ų5242 Ų4254%0.53622%0.218SC..EExtended strand (participates in β ladder)trans78.4-142.8-174.300000112.5
66S93.9Very high95.7Very high47 Ų4742.3 Ų42.333%0.32922%0.22SC..  trans-117.3173.6177.783.50000111.7E68 K69 P70S66-E68 VanDerWaalsContact CB-OE2 3.31Å; S66-E68 WeakPolarHBondContact CB-OE2 3.43Å; S66-E68 PolarHBondContact O-N 3.18Å; S66-E68 PolarHBondContact OG-N 3.2Å; S66-E68 PolarHBondContact OG-OE2 3.43Å; S66-K69 PolarHBondContact N-O 3.49Å; S66-K69 CarbonylContact O-C 3.56Å; S66-K69 VanDerWaalsContact O-C 3.22Å; S66-K69 PolarHBondContact O-N 3.07Å; S66-K69 PolarHBondContact OG-N 3.31Å; S66-K69 VanDerWaalsContact OG-N 3.13Å; S66-P70 VanDerWaalsContact O-CA 3.28Å; S66-P70 WeakPolarHBondContact O-CA 3.45Å; S66-P70 WeakPolarHBondContact O-CD 3.26Å
67V93.4Very high95.2Very high27 Ų2752 Ų5216%0.16426%0.256CS..SBendtrans-60.6-36.4175.5173.20000111.1A106 T111V67-A106 HydrophobicContact CG1-CB 4.07Å; V67-A106 WeakPolarHBondContact O-CB 3.3Å; V67-T111 HydrophobicContact CG2-CG2 4.19Å
68E93Very high94.8Very high144 Ų14457.8 Ų57.867%0.67329%0.287SS*.SBendtrans-84.5-26.3-178-50.675.3-163.800112.7S66S66-E68 VanDerWaalsContact CB-OE2 3.31Å; S66-E68 WeakPolarHBondContact CB-OE2 3.43Å; S66-E68 PolarHBondContact O-N 3.18Å; S66-E68 PolarHBondContact OG-N 3.2Å; S66-E68 PolarHBondContact OG-OE2 3.43Å
69K95.6Very high94.4Very high168 Ų16858.5 Ų58.573%0.7330%0.303SS*.SBendtrans-134.867.2179.1-64-175.5-178.2-178.90110.4S66S66-K69 PolarHBondContact N-O 3.49Å; S66-K69 CarbonylContact O-C 3.56Å; S66-K69 VanDerWaalsContact O-C 3.22Å; S66-K69 PolarHBondContact O-N 3.07Å; S66-K69 PolarHBondContact OG-N 3.31Å; S66-K69 VanDerWaalsContact OG-N 3.13Å
70P97.2Very high94.1Very high6 Ų661.5 Ų61.54%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-73.9141.5179.129.5-33.5000110.4V63 S64 S66 K102 I105V63-P70 HydrophobicContact CG1-CB 4.48Å; S64-P70 WeakPolarHBondContact O-CA 3.35Å; S66-P70 VanDerWaalsContact O-CA 3.28Å; S66-P70 WeakPolarHBondContact O-CA 3.45Å; S66-P70 WeakPolarHBondContact O-CD 3.26Å; P70-K102 HydrophobicContact CG-CB 4.08Å; P70-K102 HydrophobicContact CG-CG 4.19Å; P70-K102 WeakPolarHBondContact CG-O 3.46Å; P70-I105 HydrophobicContact CB-CD1 3.77Å; P70-I105 HydrophobicContact CB-CG2 4.18Å; P70-I105 HydrophobicContact CG-CB 4.19Å; P70-I105 HydrophobicContact CG-CD1 3.9Å; P70-I105 HydrophobicContact CG-CG2 4.24Å
71L97.6Very high94Very high53 Ų5359.8 Ų59.828%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-107.7133.8170.8-58175.8000108.7V63 S64 P81 D83V63-L71 WeakPolarHBondContact CA-O 3.45Å; S64-L71 PolarHBondContact N-O 3.18Å; S64-L71 PolarHBondContact O-N 2.91Å; L71-P81 HydrophobicContact CD1-CB 3.87Å; L71-P81 HydrophobicContact CD1-CG 3.79Å; L71-D83 HydrophobicContact CD2-CB 4.22Å
72L98.3Very high94Very high0 Ų060.3 Ų60.30%032%0.321CS..EExtended strand (participates in β ladder)trans-113.2107179.7-53-177.2000108.7M61 V63 L84 F98 L101 K102 I105 I125M61-L72 HydrophobicContact CB-CB 4.04Å; M61-L72 HydrophobicContact CG-CB 4.21Å; V63-L72 HydrophobicContact CB-CD2 4.45Å; V63-L72 HydrophobicContact CG1-CD2 4.1Å; V63-L72 HydrophobicContact CG2-CD2 3.88Å; L72-L84 PolarHBondContact O-N 3.4Å; L72-F98 HydrophobicContact CD1-CB 4.32Å; L72-F98 HydrophobicContact CD1-CD1 4.04Å; L72-F98 HydrophobicContact CD1-CG 4.48Å; L72-L101 HydrophobicContact CD1-CB 4.25Å; L72-K102 HydrophobicContact CD1-CG 4.49Å; L72-I105 HydrophobicContact CD2-CD1 3.93Å; L72-I125 HydrophobicContact CD2-CD1 3.98Å
73G97.2Very high94Very high2 Ų260.4 Ų60.42%0.02132%0.321CS..EExtended strand (participates in β ladder)trans176.3-112.8-178.700000113.8V62 E82V62-G73 WeakPolarHBondContact CB-O 3.3Å; V62-G73 PolarHBondContact N-O 3.34Å; V62-G73 PolarHBondContact O-N 2.94Å; G73-E82 CarbonylContact C-O 3.22Å; G73-E82 VanDerWaalsContact CA-O 3.28Å; G73-E82 WeakPolarHBondContact CA-O 3.47Å
74M95.2Very high94Very high43 Ų4361.1 Ų61.121%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-136165.6-176.364.6179.5-7700112.3P81 E82 L84M74-P81 WeakPolarHBondContact O-CA 3.36Å; M74-E82 HydrophobicContact CG-CB 3.96Å; M74-E82 PolarHBondContact N-O 3.19Å; M74-E82 PolarHBondContact O-N 3.25Å; M74-L84 HydrophobicContact CB-CD1 3.99Å; M74-L84 HydrophobicContact CG-CD1 3.87Å; M74-L84 HydrophobicContact CG-CD2 4.43Å; M74-L84 HydrophobicContact CG-CG 4.25Å; M74-L84 HydrophobicContact SD-CD1 4.15Å; M74-L84 HydrophobicContact SD-CD2 4.5Å
75L92.3Very high94.1Very high67 Ų6761.2 Ų61.235%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-112.2133166.8-66.4170.4000108.3V62 G79 P81V62-L75 HydrophobicContact CG1-CD1 3.81Å; V62-L75 HydrophobicContact CG1-CG 3.87Å; L75-G79 WeakPolarHBondContact CD2-O 3.33Å; L75-P81 HydrophobicContact CD2-CB 3.88Å
76H91.4Very high94.2Very high57 Ų5765.9 Ų65.926%0.26434%0.338SS..  trans-67.2167.9165.4-72-61.8000111R10 D78 G79 T80 E82R10-H76 PolarHBondContact O-CE1 3.14Å; R10-H76 PolarHBondContact O-NE2 2.85Å; H76-D78 WeakPolarHBondContact CB-OD1 3.49Å; H76-D78 PolarHBondContact O-N 3.42Å; H76-G79 PolarHBondContact O-N 2.91Å; H76-T80 PolarHBondContact CD2-O 3.44Å; H76-T80 PolarHBondContact N-O 3.09Å; H76-E82 IonicContact CD2-OE1 2.73Å; H76-E82 WeakPolarHBondContact NE2-CG 3.49Å; H76-E82 IonicContact NE2-OE1 3.29Å; H76-E82 PolarHBondContact NE2-OE1 2.91Å
77R86.5Confident94.3Very high267 Ų26764.6 Ų64.6100%1.00833%0.329SS*.THydrogen-bonded Turntrans-61.5-29179-69.3-176.6179.8-179.80.1113.1G79R77-G79 VanDerWaalsContact C-N 3.25Å
78D88.2Confident94.5Very high124 Ų12464.6 Ų64.666%0.66333%0.329SS*.THydrogen-bonded Turntrans-80.6-3.4175.467.6-11.5000113.2H76 T80H76-D78 WeakPolarHBondContact CB-OD1 3.49Å; H76-D78 PolarHBondContact O-N 3.42Å; D78-T80 VanDerWaalsContact CG-OG1 3.23Å; D78-T80 VanDerWaalsContact OD1-CB 3.25Å; D78-T80 WeakPolarHBondContact OD1-CB 3.43Å; D78-T80 PolarHBondContact OD1-N 3.35Å; D78-T80 PolarHBondContact OD1-OG1 3.29Å; D78-T80 VanDerWaalsContact OD1-OG1 3.13Å; D78-T80 PolarHBondContact OD2-OG1 3.36Å
79G87.6Confident94.7Very high45 Ų4559 Ų5946%0.46430%0.304SS..SBendtrans872.7-17700000114.6L75 H76 R77L75-G79 WeakPolarHBondContact CD2-O 3.33Å; H76-G79 PolarHBondContact O-N 2.91Å; R77-G79 VanDerWaalsContact C-N 3.25Å
80T91.9Very high94.7Very high62 Ų6252.3 Ų52.338%0.3827%0.274SS..  trans-66.8125.9175.4-61.70000110H76 D78H76-T80 PolarHBondContact CD2-O 3.44Å; H76-T80 PolarHBondContact N-O 3.09Å; D78-T80 VanDerWaalsContact CG-OG1 3.23Å; D78-T80 VanDerWaalsContact OD1-CB 3.25Å; D78-T80 WeakPolarHBondContact OD1-CB 3.43Å; D78-T80 PolarHBondContact OD1-N 3.35Å; D78-T80 PolarHBondContact OD1-OG1 3.29Å; D78-T80 VanDerWaalsContact OD1-OG1 3.13Å; D78-T80 PolarHBondContact OD2-OG1 3.36Å
81P94.5Very high94.7Very high45 Ų4552.8 Ų52.829%0.29228%0.277SS..EExtended strand (participates in β ladder)trans-82.5146179.133-34.6000112.7S64 L71 M74 L75S64-P81 WeakPolarHBondContact OG-CB 3.36Å; L71-P81 HydrophobicContact CD1-CB 3.87Å; L71-P81 HydrophobicContact CD1-CG 3.79Å; M74-P81 WeakPolarHBondContact O-CA 3.36Å; L75-P81 HydrophobicContact CD2-CB 3.88Å
82E96.4Very high94.6Very high12 Ų1254.7 Ų54.76%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-127.1131.8170.5-67.6-66.1176.400110.3R10 G73 M74 H76R10-E82 WeakPolarHBondContact CB-OE1 3.37Å; R10-E82 IonicContact CZ-OE2 3.14Å; R10-E82 IonicContact NE-OE1 3.45Å; R10-E82 PolarHBondContact NE-OE1 3.32Å; R10-E82 IonicContact NE-OE2 2.82Å; R10-E82 PolarHBondContact NE-OE2 3.07Å; R10-E82 IonicContact NH2-OE2 2.64Å; R10-E82 PolarHBondContact NH2-OE2 3.23Å; G73-E82 CarbonylContact C-O 3.22Å; G73-E82 VanDerWaalsContact CA-O 3.28Å; G73-E82 WeakPolarHBondContact CA-O 3.47Å; M74-E82 HydrophobicContact CG-CB 3.96Å; M74-E82 PolarHBondContact N-O 3.19Å; M74-E82 PolarHBondContact O-N 3.25Å; H76-E82 IonicContact CD2-OE1 2.73Å; H76-E82 WeakPolarHBondContact NE2-CG 3.49Å; H76-E82 IonicContact NE2-OE1 3.29Å; H76-E82 PolarHBondContact NE2-OE1 2.91Å
83D96.9Very high94.6Very high33 Ų3356.6 Ų56.618%0.17631%0.314CS..EExtended strand (participates in β ladder)trans-79.9126.2173.4-164.1-34.1000109.3L5 L71 C85 K102L5-D83 VanDerWaalsContact CD1-O 3.28Å; L5-D83 WeakPolarHBondContact CD1-O 3.45Å; L71-D83 HydrophobicContact CD2-CB 4.22Å; D83-C85 VanDerWaalsContact OD1-CB 3.24Å; D83-C85 WeakPolarHBondContact OD1-CB 3.33Å; D83-C85 PolarHBondContact OD1-N 3.41Å; D83-C85 PolarHBondContact OD1-SG 2.85Å; D83-K102 IonicContact OD2-NZ 2.71Å; D83-K102 PolarHBondContact OD2-NZ 2.87Å
84L97.5Very high94.6Very high16 Ų1656.5 Ų56.58%0.08431%0.313CS..  trans-11315.5-179.6-59.9-179000112.3L5 M61 L72 M74 D86 C87L5-L84 HydrophobicContact CD1-CD2 3.74Å; M61-L84 HydrophobicContact CE-CB 4.2Å; M61-L84 HydrophobicContact SD-CB 4.21Å; L72-L84 PolarHBondContact O-N 3.4Å; M74-L84 HydrophobicContact CB-CD1 3.99Å; M74-L84 HydrophobicContact CG-CD1 3.87Å; M74-L84 HydrophobicContact CG-CD2 4.43Å; M74-L84 HydrophobicContact CG-CG 4.25Å; M74-L84 HydrophobicContact SD-CD1 4.15Å; M74-L84 HydrophobicContact SD-CD2 4.5Å; L84-D86 PolarHBondContact O-N 2.81Å; L84-C87 HydrophobicContact CB-CB 4.27Å; L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.38Å; L84-C87 VanDerWaalsContact O-N 3.07Å
85C97.3Very high94.7Very high16 Ų1656.8 Ų56.811%0.10832%0.322CS..THydrogen-bonded Turntrans-58.5-32.6179.4-67.40000112.7D83 F98D83-C85 VanDerWaalsContact OD1-CB 3.24Å; D83-C85 WeakPolarHBondContact OD1-CB 3.33Å; D83-C85 PolarHBondContact OD1-N 3.41Å; D83-C85 PolarHBondContact OD1-SG 2.85Å; C85-F98 HydrophobicContact CB-CB 4.15Å; C85-F98 HydrophobicContact CB-CD2 3.91Å; C85-F98 HydrophobicContact CB-CG 4.32Å
86D95.9Very high95Very high149 Ų14956.8 Ų56.880%0.79733%0.326SS*.THydrogen-bonded Turntrans-97.117.4179.6-56.7-42.4000112.8L84 P88L84-D86 PolarHBondContact O-N 2.81Å; D86-P88 WeakPolarHBondContact O-CD 3.46Å
87C97.2Very high95.3Very high21 Ų2154.1 Ų54.114%0.14231%0.313CS..  trans-64.6122.6179.81790000110.7L84 L89 Y90L84-C87 HydrophobicContact CB-CB 4.27Å; L84-C87 WeakPolarHBondContact O-CB 3.47Å; L84-C87 PolarHBondContact O-N 3.38Å; L84-C87 VanDerWaalsContact O-N 3.07Å; C87-L89 PolarHBondContact O-N 2.99Å; C87-Y90 HydrophobicContact CB-CD2 3.63Å; C87-Y90 HydrophobicContact CB-CE2 3.62Å; C87-Y90 PolarHBondContact O-N 3.33Å; C87-Y90 VanDerWaalsContact O-N 3.09Å
88P96.5Very high95.9Very high27 Ų2741.4 Ų41.418%0.17527%0.266CS..THydrogen-bonded Turntrans-64.9-10.9-175.8-20.931.2000115.1M1 Q2 C3 Q53 G54 D86 Y90M1-P88 HydrophobicContact CG-CB 3.95Å; M1-P88 HydrophobicContact CG-CG 4.35Å; M1-P88 HydrophobicContact SD-CB 3.86Å; M1-P88 HydrophobicContact SD-CG 4.12Å; Q2-P88 WeakPolarHBondContact O-CG 3.44Å; C3-P88 HydrophobicContact CB-CG 4.12Å; Q53-P88 WeakPolarHBondContact CA-O 3.19Å; Q53-P88 WeakPolarHBondContact CB-O 3.46Å; Q53-P88 HydrophobicContact CG-CB 4.24Å; G54-P88 PolarHBondContact N-O 3.19Å; D86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-Y90 VanDerWaalsContact C-N 3.3Å
89L96.7Very high96.3Very high27 Ų2738.6 Ų38.614%0.14126%0.26CS..THydrogen-bonded Turntrans-69.5-30.5175.6-61.6-179.1000112.1M1 G54 F55 R56 C87M1-L89 HydrophobicContact CE-CD2 3.49Å; M1-L89 VanDerWaalsContact CE-CD2 3.49Å; M1-L89 HydrophobicContact CE-CG 4.44Å; G54-L89 CarbonylContact C-O 3.5Å; G54-L89 WeakPolarHBondContact CA-O 3.46Å; G54-L89 PolarHBondContact N-O 2.9Å; F55-L89 HydrophobicContact CD1-CD2 4.43Å; F55-L89 HydrophobicContact CE1-CD2 3.43Å; F55-L89 VanDerWaalsContact CE1-CD2 3.43Å; F55-L89 HydrophobicContact CZ-CD2 3.58Å; F55-L89 PolarHBondContact N-O 2.79Å; R56-L89 HydrophobicContact CB-CB 4.14Å; R56-L89 WeakPolarHBondContact CB-O 3.27Å; R56-L89 PolarHBondContact N-O 2.87Å; C87-L89 PolarHBondContact O-N 2.99Å
90Y97.3Very high96.8Very high27 Ų2737.1 Ų37.111%0.10624%0.243CC..SBendtrans-83.5144-176.1-58.3-49.6000111.3R56 A59 M61 C87 P88 F94 F98R56-Y90 HydrophobicContact CB-CD1 4.25Å; R56-Y90 HydrophobicContact CG-CD1 4.4Å; R56-Y90 HydrophobicContact CG-CE1 4.26Å; A59-Y90 HydrophobicContact CB-CD1 3.99Å; A59-Y90 HydrophobicContact CB-CE1 3.55Å; A59-Y90 HydrophobicContact CB-CE2 4.31Å; M61-Y90 HydrophobicContact CE-CD2 3.93Å; M61-Y90 HydrophobicContact CE-CE2 3.3Å; M61-Y90 HydrophobicContact SD-CE2 4.32Å; C87-Y90 HydrophobicContact CB-CD2 3.63Å; C87-Y90 HydrophobicContact CB-CE2 3.62Å; C87-Y90 PolarHBondContact O-N 3.33Å; C87-Y90 VanDerWaalsContact O-N 3.09Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; Y90-F94 HydrophobicContact CD1-CD2 4.02Å; Y90-F94 HydrophobicContact CD1-CE2 4.01Å; Y90-F94 AromaticContact CG-CD2 3.9Å; Y90-F94 HydrophobicContact CG-CD2 3.9Å; Y90-F94 HydrophobicContact CG-CE2 4.37Å; Y90-F98 HydrophobicContact CD2-CE2 4.25Å
91P96.3Very high97.1Very high15 Ų1534.2 Ų34.210%0.09723%0.225CC..  trans-54.7147.6170.8-23.831.3000111.7G54 R56 S93 F94 E129G54-P91 WeakPolarHBondContact O-CG 3.45Å; R56-P91 WeakPolarHBondContact O-CD 3.48Å; P91-S93 WeakPolarHBondContact CB-OG 3.45Å; P91-S93 PolarHBondContact O-N 2.77Å; P91-S93 VanDerWaalsContact O-N 3.09Å; P91-F94 HydrophobicContact CB-CD1 4.23Å; P91-F94 HydrophobicContact CB-CE1 4.46Å; P91-F94 HydrophobicContact CG-CD1 4.25Å; P91-F94 HydrophobicContact CG-CE1 4.05Å; P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 2.91Å; P91-E129 WeakPolarHBondContact CG-OE2 3.43Å
92A96.3Very high97.3Very high93 Ų9335.1 Ų35.177%0.76922%0.224SC*.THydrogen-bonded Turntrans-58.9-25177.200000112.9F94 A95 P96A92-F94 PolarHBondContact O-N 3.09Å; A92-A95 WeakPolarHBondContact O-CB 3.14Å; A92-A95 PolarHBondContact O-N 3.45Å; A92-P96 WeakPolarHBondContact O-CD 3.47Å
93S97Very high97.3Very high40 Ų4037.8 Ų37.828%0.2824%0.243SC..THydrogen-bonded Turntrans-62.4-17.7174.857.80000113.6P91 P96 E129P91-S93 WeakPolarHBondContact CB-OG 3.45Å; P91-S93 PolarHBondContact O-N 2.77Å; P91-S93 VanDerWaalsContact O-N 3.09Å; S93-P96 WeakPolarHBondContact O-CD 3.26Å; S93-P96 WeakPolarHBondContact O-CG 3.42Å; S93-E129 VanDerWaalsContact CB-OE1 3.3Å; S93-E129 WeakPolarHBondContact CB-OE1 3.38Å; S93-E129 PolarHBondContact OG-OE1 2.95Å; S93-E129 PolarHBondContact OG-OE2 3.47Å; S93-E129 VanDerWaalsContact OG-OE2 3.09Å
94F98.2Very high97.3Very high1 Ų136.2 Ų36.20%0.00423%0.234CC..Hα-helixtrans-77.2-30.1178.1-78.729.7000112.4A59 Y90 P91 A92 V97 F98 L127 E129 M136A59-F94 HydrophobicContact CB-CD2 3.94Å; A59-F94 HydrophobicContact CB-CE2 3.64Å; Y90-F94 HydrophobicContact CD1-CD2 4.02Å; Y90-F94 HydrophobicContact CD1-CE2 4.01Å; Y90-F94 AromaticContact CG-CD2 3.9Å; Y90-F94 HydrophobicContact CG-CD2 3.9Å; Y90-F94 HydrophobicContact CG-CE2 4.37Å; P91-F94 HydrophobicContact CB-CD1 4.23Å; P91-F94 HydrophobicContact CB-CE1 4.46Å; P91-F94 HydrophobicContact CG-CD1 4.25Å; P91-F94 HydrophobicContact CG-CE1 4.05Å; P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 2.91Å; A92-F94 PolarHBondContact O-N 3.09Å; F94-V97 WeakPolarHBondContact O-CB 3.35Å; F94-V97 PolarHBondContact O-N 2.78Å; F94-V97 VanDerWaalsContact O-N 3.09Å; F94-F98 HydrophobicContact CB-CD2 4.16Å; F94-F98 HydrophobicContact CB-CE2 3.63Å; F94-F98 HydrophobicContact CB-CZ 3.97Å; F94-F98 HydrophobicContact CD2-CE2 4.03Å; F94-F98 AromaticContact CD2-CZ 3.64Å; F94-F98 HydrophobicContact CD2-CZ 3.64Å; F94-F98 HydrophobicContact CG-CE2 4.34Å; F94-F98 HydrophobicContact CG-CZ 4.24Å; F94-F98 WeakPolarHBondContact O-CD2 3.41Å; F94-F98 WeakPolarHBondContact O-CG 3.47Å; F94-F98 PolarHBondContact O-N 2.92Å; F94-L127 HydrophobicContact CB-CD2 4.38Å; F94-L127 HydrophobicContact CD1-CD2 4.11Å; F94-L127 HydrophobicContact CD2-CD2 3.82Å; F94-L127 HydrophobicContact CE1-CD2 4.32Å; F94-L127 HydrophobicContact CE2-CB 4.47Å; F94-L127 HydrophobicContact CE2-CD2 4.02Å; F94-L127 HydrophobicContact CE2-CG 4.24Å; F94-L127 HydrophobicContact CG-CD2 3.84Å; F94-L127 HydrophobicContact CZ-CD2 4.24Å; F94-L127 HydrophobicContact CZ-CG 4.23Å; F94-E129 HydrophobicContact CE1-CB 3.62Å; F94-E129 HydrophobicContact CZ-CB 4.21Å; F94-M136 HydrophobicContact CD1-CE 4.2Å; F94-M136 HydrophobicContact CE1-CE 4.38Å
95A97.7Very high97.4Very high48 Ų4835.4 Ų35.440%0.39723%0.23SC..Hα-helixtrans-54.3-51.1-178.100000113.5A92 V97 F98 A99A92-A95 WeakPolarHBondContact O-CB 3.14Å; A92-A95 PolarHBondContact O-N 3.45Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 2.79Å; A95-F98 PolarHBondContact O-N 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.23Å
96P97.4Very high97.3Very high68 Ų6836.7 Ų36.744%0.44224%0.242SC..Hα-helixtrans-63.4-33.417724.1-34.6000112.8A92 S93 A99 A100A92-P96 WeakPolarHBondContact O-CD 3.47Å; S93-P96 WeakPolarHBondContact O-CD 3.26Å; S93-P96 WeakPolarHBondContact O-CG 3.42Å; P96-A99 PolarHBondContact O-N 2.73Å; P96-A100 WeakPolarHBondContact O-CB 3.42Å; P96-A100 PolarHBondContact O-N 3.37Å
97V98.5Very high97.4Very high0 Ų036.5 Ų36.50%023%0.23CC..Hα-helixtrans-64.9-49.5176.7178.90000110.3F94 A95 A99 A100 L101 L127 M136 L162F94-V97 WeakPolarHBondContact O-CB 3.35Å; F94-V97 PolarHBondContact O-N 2.78Å; F94-V97 VanDerWaalsContact O-N 3.09Å; A95-V97 VanDerWaalsContact C-N 3.28Å; A95-V97 PolarHBondContact O-N 2.79Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.93Å; V97-A100 PolarHBondContact O-N 3.39Å; V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 WeakPolarHBondContact O-CB 3.5Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 3.1Å; V97-L127 HydrophobicContact CB-CD2 4Å; V97-L127 HydrophobicContact CG1-CD1 3.98Å; V97-L127 HydrophobicContact CG1-CD2 3.61Å; V97-L127 HydrophobicContact CG1-CG 4.46Å; V97-L127 HydrophobicContact CG2-CD2 4.44Å; V97-M136 HydrophobicContact CG2-CE 4.31Å; V97-M136 HydrophobicContact CG2-SD 3.59Å; V97-M136 VanDerWaalsContact CG2-SD 3.59Å; V97-L162 HydrophobicContact CB-CD1 4.31Å; V97-L162 HydrophobicContact CG1-CD1 3.94Å; V97-L162 HydrophobicContact CG2-CD1 4.38Å; V97-L162 HydrophobicContact CG2-CD2 4.12Å
98F98.3Very high97.4Very high1 Ų135.5 Ų35.50%0.00422%0.223CC..Hα-helixtrans-61.8-40.6176.9-63.2-34.7000112.4A59 M61 L72 C85 Y90 F94 A95 A100 L101 K102 L127A59-F98 HydrophobicContact CB-CE1 4.37Å; A59-F98 HydrophobicContact CB-CZ 3.8Å; M61-F98 HydrophobicContact CE-CD2 4.4Å; M61-F98 HydrophobicContact CE-CE1 3.85Å; M61-F98 HydrophobicContact CE-CE2 3.52Å; M61-F98 HydrophobicContact CE-CZ 3.21Å; M61-F98 HydrophobicContact CG-CE1 4.17Å; M61-F98 HydrophobicContact CG-CZ 4.4Å; L72-F98 HydrophobicContact CD1-CB 4.32Å; L72-F98 HydrophobicContact CD1-CD1 4.04Å; L72-F98 HydrophobicContact CD1-CG 4.48Å; C85-F98 HydrophobicContact CB-CB 4.15Å; C85-F98 HydrophobicContact CB-CD2 3.91Å; C85-F98 HydrophobicContact CB-CG 4.32Å; Y90-F98 HydrophobicContact CD2-CE2 4.25Å; F94-F98 HydrophobicContact CB-CD2 4.16Å; F94-F98 HydrophobicContact CB-CE2 3.63Å; F94-F98 HydrophobicContact CB-CZ 3.97Å; F94-F98 HydrophobicContact CD2-CE2 4.03Å; F94-F98 AromaticContact CD2-CZ 3.64Å; F94-F98 HydrophobicContact CD2-CZ 3.64Å; F94-F98 HydrophobicContact CG-CE2 4.34Å; F94-F98 HydrophobicContact CG-CZ 4.24Å; F94-F98 WeakPolarHBondContact O-CD2 3.41Å; F94-F98 WeakPolarHBondContact O-CG 3.47Å; F94-F98 PolarHBondContact O-N 2.92Å; A95-F98 PolarHBondContact O-N 3.31Å; F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 PolarHBondContact O-N 3.32Å; F98-L101 HydrophobicContact CD1-CD1 4.34Å; F98-L101 PolarHBondContact O-N 3.41Å; F98-K102 PolarHBondContact O-N 3.42Å; F98-L127 HydrophobicContact CE1-CD2 3.88Å; F98-L127 HydrophobicContact CZ-CD2 4.25Å
99A97.7Very high97.3Very high65 Ų6534.8 Ų34.854%0.53722%0.221SC..Hα-helixtrans-60.4-42176.600000112.2A95 P96 V97 P103A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.23Å; P96-A99 PolarHBondContact O-N 2.73Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.93Å; A99-P103 WeakPolarHBondContact O-CD 3.5Å
100A98Very high97.3Very high14 Ų1433.5 Ų33.512%0.11621%0.214CC..Hα-helixtrans-74.9-30.1177.300000113.3P96 V97 F98 P103 F104 Q161 L162P96-A100 WeakPolarHBondContact O-CB 3.42Å; P96-A100 PolarHBondContact O-N 3.37Å; V97-A100 PolarHBondContact O-N 3.39Å; F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 PolarHBondContact O-N 3.32Å; A100-P103 WeakPolarHBondContact O-CD 3.09Å; A100-P103 WeakPolarHBondContact O-CG 3.42Å; A100-F104 WeakPolarHBondContact O-CB 3.42Å; A100-F104 PolarHBondContact O-N 3.05Å; A100-Q161 HydrophobicContact CB-CB 4.42Å; A100-L162 HydrophobicContact CB-CD1 3.92Å; A100-L162 HydrophobicContact CB-CD2 4.01Å; A100-L162 HydrophobicContact CB-CG 3.99Å
101L98.3Very high97.3Very high0 Ų035.2 Ų35.20%023%0.228CC..Hα-helixtrans-68.9-33.8178.7-75.1169.7000113.3L72 V97 F98 F104 I105 I125 L138 F140 L158L72-L101 HydrophobicContact CD1-CB 4.25Å; V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 WeakPolarHBondContact O-CB 3.5Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 3.1Å; F98-L101 HydrophobicContact CD1-CD1 4.34Å; F98-L101 PolarHBondContact O-N 3.41Å; L101-F104 HydrophobicContact CD2-CD1 4.39Å; L101-F104 WeakPolarHBondContact O-CB 3.48Å; L101-F104 PolarHBondContact O-N 3.06Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.42Å; L101-I105 PolarHBondContact O-N 3Å; L101-I125 HydrophobicContact CD1-CD1 4.31Å; L101-I125 HydrophobicContact CD1-CG2 4.04Å; L101-L138 HydrophobicContact CD1-CD1 3.92Å; L101-L138 HydrophobicContact CD2-CD1 4.1Å; L101-L138 HydrophobicContact CD2-CD2 3.67Å; L101-F140 HydrophobicContact CD2-CE1 4.42Å; L101-F140 HydrophobicContact CD2-CZ 4.31Å; L101-L158 HydrophobicContact CD2-CD1 4.19Å; L101-L158 HydrophobicContact CD2-CD2 4.36Å
102K97.4Very high97.3Very high64 Ų6435 Ų3528%0.27823%0.227SC..Hα-helixtrans-57-55.8178.5-71.7179.6172.9-179.20112.9P70 L72 D83 F98 F104 I105P70-K102 HydrophobicContact CG-CB 4.08Å; P70-K102 HydrophobicContact CG-CG 4.19Å; P70-K102 WeakPolarHBondContact CG-O 3.46Å; L72-K102 HydrophobicContact CD1-CG 4.49Å; D83-K102 IonicContact OD2-NZ 2.71Å; D83-K102 PolarHBondContact OD2-NZ 2.87Å; F98-K102 PolarHBondContact O-N 3.42Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.43Å; K102-I105 PolarHBondContact O-N 3.13Å
103P96.7Very high97.2Very high68 Ų6831.5 Ų31.544%0.44219%0.194SC..Hα-helixtrans-68.9-27173.627.6-33.9000112.7A99 A100 I105 A106 R107 W157A99-P103 WeakPolarHBondContact O-CD 3.5Å; A100-P103 WeakPolarHBondContact O-CD 3.09Å; A100-P103 WeakPolarHBondContact O-CG 3.42Å; P103-I105 VanDerWaalsContact C-N 3.35Å; P103-I105 PolarHBondContact O-N 2.91Å; P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 3.36Å; P103-R107 PolarHBondContact O-N 2.94Å; P103-W157 HydrophobicContact CG-CH2 4.13Å
104F98.1Very high97Very high0 Ų032.9 Ų32.90%020%0.198CC..Hα-helixtrans-61.4-42175.3-175.4-109.9000112.8A100 L101 K102 A106 R107 A108 F140 L151 A154 L155 W157 L158A100-F104 WeakPolarHBondContact O-CB 3.42Å; A100-F104 PolarHBondContact O-N 3.05Å; L101-F104 HydrophobicContact CD2-CD1 4.39Å; L101-F104 WeakPolarHBondContact O-CB 3.48Å; L101-F104 PolarHBondContact O-N 3.06Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.43Å; F104-A106 PolarHBondContact O-N 2.89Å; F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.06Å; F104-R107 VanDerWaalsContact O-N 3.09Å; F104-A108 HydrophobicContact CD1-CB 4.46Å; F104-A108 HydrophobicContact CE1-CB 4.03Å; F104-A108 HydrophobicContact CE2-CB 4.45Å; F104-A108 HydrophobicContact CZ-CB 4.06Å; F104-A108 WeakPolarHBondContact O-CB 3.29Å; F104-A108 PolarHBondContact O-N 3.24Å; F104-F140 HydrophobicContact CD1-CE1 4.12Å; F104-F140 AromaticContact CD1-CZ 3.92Å; F104-F140 HydrophobicContact CD1-CZ 3.92Å; F104-F140 AromaticContact CE1-CE1 3.92Å; F104-F140 HydrophobicContact CE1-CE1 3.92Å; F104-F140 HydrophobicContact CE1-CE2 4.34Å; F104-F140 AromaticContact CE1-CZ 3.47Å; F104-F140 HydrophobicContact CE1-CZ 3.47Å; F104-F140 VanDerWaalsContact CE1-CZ 3.47Å; F104-L151 HydrophobicContact CE1-CD1 3.51Å; F104-L151 HydrophobicContact CZ-CD1 3.53Å; F104-A154 HydrophobicContact CE2-CB 3.64Å; F104-A154 WeakPolarHBondContact CE2-O 3.11Å; F104-A154 HydrophobicContact CZ-CB 3.98Å; F104-L155 HydrophobicContact CZ-CD2 4.16Å; F104-W157 HydrophobicContact CB-CZ3 3.88Å; F104-W157 AromaticContact CD2-CE3 3.72Å; F104-W157 HydrophobicContact CD2-CE3 3.72Å; F104-W157 AromaticContact CD2-CZ3 3.91Å; F104-W157 HydrophobicContact CD2-CZ3 3.91Å; F104-W157 HydrophobicContact CG-CZ3 4.37Å; F104-L158 HydrophobicContact CB-CD1 4.07Å; F104-L158 HydrophobicContact CD1-CD1 4.31Å; F104-L158 HydrophobicContact CD1-CD2 4Å; F104-L158 HydrophobicContact CD2-CB 3.83Å; F104-L158 HydrophobicContact CD2-CD1 3.97Å; F104-L158 HydrophobicContact CD2-CD2 4.35Å; F104-L158 HydrophobicContact CD2-CG 4.27Å; F104-L158 HydrophobicContact CE1-CD2 3.82Å; F104-L158 HydrophobicContact CE2-CB 3.62Å; F104-L158 HydrophobicContact CE2-CD1 4.5Å; F104-L158 HydrophobicContact CE2-CD2 4.16Å; F104-L158 HydrophobicContact CE2-CG 4.32Å; F104-L158 HydrophobicContact CG-CB 4.45Å; F104-L158 HydrophobicContact CG-CD1 3.83Å; F104-L158 HydrophobicContact CG-CD2 4.25Å; F104-L158 HydrophobicContact CG-CG 4.42Å; F104-L158 HydrophobicContact CZ-CB 4.1Å; F104-L158 HydrophobicContact CZ-CD2 3.88Å
105I98.1Very high96.3Very high0 Ų037.1 Ų37.10%022%0.223CC..Hα-helixtrans-55.8-42.7177.7-73.5165.8000110.4V63 P70 L72 L101 K102 P103 G109 L110 L122 I125V63-I105 HydrophobicContact CG1-CD1 4.11Å; P70-I105 HydrophobicContact CB-CD1 3.77Å; P70-I105 HydrophobicContact CB-CG2 4.18Å; P70-I105 HydrophobicContact CG-CB 4.19Å; P70-I105 HydrophobicContact CG-CD1 3.9Å; P70-I105 HydrophobicContact CG-CG2 4.24Å; L72-I105 HydrophobicContact CD2-CD1 3.93Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.42Å; L101-I105 PolarHBondContact O-N 3Å; K102-I105 PolarHBondContact O-N 3.13Å; P103-I105 VanDerWaalsContact C-N 3.35Å; P103-I105 PolarHBondContact O-N 2.91Å; I105-G109 PolarHBondContact O-N 3.36Å; I105-G109 VanDerWaalsContact O-N 3.12Å; I105-L110 HydrophobicContact CG2-CB 4.22Å; I105-L110 WeakPolarHBondContact CG2-O 3.44Å; I105-L110 PolarHBondContact O-N 3.47Å; I105-L122 HydrophobicContact CD1-CD2 3.97Å; I105-L122 HydrophobicContact CG1-CD2 3.79Å; I105-L122 HydrophobicContact CG2-CD2 4.36Å; I105-I125 HydrophobicContact CD1-CD1 3.99Å; I105-I125 HydrophobicContact CG1-CD1 4.47Å
106A96.5Very high95.8Very high43 Ų4339.3 Ų39.336%0.35524%0.242SC..Hα-helixtrans-63.2-49.9173.400000112.4V67 P103 F104 A108 G109V67-A106 HydrophobicContact CG1-CB 4.07Å; V67-A106 WeakPolarHBondContact O-CB 3.3Å; P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 3.36Å; F104-A106 PolarHBondContact O-N 2.89Å; A106-A108 VanDerWaalsContact C-N 3.31Å; A106-A108 PolarHBondContact O-N 3.49Å; A106-G109 PolarHBondContact O-N 2.88Å
107R96.5Very high95.4Very high144 Ų14445.1 Ų45.154%0.54326%0.255SS..Hα-helixtrans-58.9-40.7-179.8-168.8-179.7-166.6117.30.3112.9P103 F104 G109 A154 W157P103-R107 PolarHBondContact O-N 2.94Å; F104-R107 WeakPolarHBondContact O-CB 3.44Å; F104-R107 PolarHBondContact O-N 3.06Å; F104-R107 VanDerWaalsContact O-N 3.09Å; R107-G109 VanDerWaalsContact C-N 3.29Å; R107-A154 HydrophobicContact CG-CB 4.47Å; R107-W157 VanDerWaalsContact CZ-CD1 3.44Å
108A97.1Very high94.9Very high0 Ų051.2 Ų51.20%028%0.281CS..THydrogen-bonded Turntrans-83.2-3.1178.800000113F104 A106 L110 Q150 L151 A154F104-A108 HydrophobicContact CD1-CB 4.46Å; F104-A108 HydrophobicContact CE1-CB 4.03Å; F104-A108 HydrophobicContact CE2-CB 4.45Å; F104-A108 HydrophobicContact CZ-CB 4.06Å; F104-A108 WeakPolarHBondContact O-CB 3.29Å; F104-A108 PolarHBondContact O-N 3.24Å; A106-A108 VanDerWaalsContact C-N 3.31Å; A106-A108 PolarHBondContact O-N 3.49Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 HydrophobicContact CB-CD1 3.96Å; A108-L110 HydrophobicContact CB-CG 3.76Å; A108-L110 PolarHBondContact O-N 3.21Å; A108-Q150 VanDerWaalsContact O-CG 3.27Å; A108-Q150 WeakPolarHBondContact O-CG 3.45Å; A108-Q150 PolarHBondContact O-NE2 2.77Å; A108-L151 HydrophobicContact CB-CD1 4.23Å; A108-A154 HydrophobicContact CB-CB 3.89Å
109G95.6Very high94.6Very high13 Ų1360 Ų6013%0.13432%0.315CS..THydrogen-bonded Turntrans59.835.9-179.800000113.3I105 A106 R107 T111 K147I105-G109 PolarHBondContact O-N 3.36Å; I105-G109 VanDerWaalsContact O-N 3.12Å; A106-G109 PolarHBondContact O-N 2.88Å; R107-G109 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 3.09Å; G109-K147 WeakPolarHBondContact O-CE 3.39Å; G109-K147 PolarHBondContact O-NZ 2.92Å
110L97.3Very high94.5Very high0 Ų057.6 Ų57.60%030%0.296CS..  trans-89.287.7-176.3-66.8-179.2000110.1I105 A108 P112 L122 F140 L142 K147 L151I105-L110 HydrophobicContact CG2-CB 4.22Å; I105-L110 WeakPolarHBondContact CG2-O 3.44Å; I105-L110 PolarHBondContact O-N 3.47Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 HydrophobicContact CB-CD1 3.96Å; A108-L110 HydrophobicContact CB-CG 3.76Å; A108-L110 PolarHBondContact O-N 3.21Å; L110-P112 WeakPolarHBondContact O-CD 3.21Å; L110-L122 HydrophobicContact CB-CB 4.06Å; L110-L122 HydrophobicContact CB-CD2 3.93Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å; L110-F140 HydrophobicContact CD1-CD1 3.99Å; L110-F140 HydrophobicContact CD1-CE1 4.12Å; L110-L142 HydrophobicContact CD2-CD2 4.16Å; L110-K147 HydrophobicContact CD2-CB 3.78Å; L110-K147 HydrophobicContact CD2-CG 4.33Å; L110-L151 HydrophobicContact CD1-CD1 4.26Å
111T97Very high94.4Very high63 Ų6358 Ų5839%0.38730%0.295SS..PPolyproline II helixtrans-61.4123.7177.5-51.30000111.2V67 G109 Y113 E121 L122V67-T111 HydrophobicContact CG2-CG2 4.19Å; G109-T111 PolarHBondContact O-N 3.09Å; T111-Y113 PolarHBondContact O-N 2.89Å; T111-E121 PolarHBondContact O-N 2.98Å; T111-L122 PolarHBondContact O-N 3.09Å
112P96.7Very high94.4Very high11 Ų1158 Ų587%0.07130%0.295CS..BIsolated β-bridgetrans-54.4138.2172.6-27.736.1000111.9V63 L110 N114 L122V63-P112 HydrophobicContact CG1-CB 4.07Å; V63-P112 HydrophobicContact CG1-CG 3.99Å; L110-P112 WeakPolarHBondContact O-CD 3.21Å; P112-N114 PolarHBondContact O-N 2.65Å; P112-L122 CarbonylContact C-O 3.5Å; P112-L122 WeakPolarHBondContact CA-O 3.37Å
113Y94.2Very high94.3Very high19 Ų1955.7 Ų55.78%0.07529%0.285CS..PPolyproline II helixtrans-80.1119-176.6-174.4-101.5000111.4T111 V115 K118 R119 G120 L122 K123 R143 H176T111-Y113 PolarHBondContact O-N 2.89Å; Y113-V115 HydrophobicContact CD1-CG2 4.1Å; Y113-V115 HydrophobicContact CE1-CB 4.43Å; Y113-V115 HydrophobicContact CE1-CG2 4.03Å; Y113-K118 VanDerWaalsContact OH-CA 3.26Å; Y113-K118 WeakPolarHBondContact OH-CA 3.34Å; Y113-R119 CarbonylContact C-O 3.52Å; Y113-R119 WeakPolarHBondContact CA-O 3.47Å; Y113-R119 WeakPolarHBondContact CD2-O 3.26Å; Y113-G120 WeakPolarHBondContact CD2-O 3.12Å; Y113-L122 WeakPolarHBondContact CB-O 3.21Å; Y113-L122 PolarHBondContact N-O 3.03Å; Y113-K123 HydrophobicContact CD1-CD 4.28Å; Y113-K123 HydrophobicContact CD1-CG 3.83Å; Y113-K123 HydrophobicContact CD2-CG 4.5Å; Y113-K123 HydrophobicContact CG-CD 4.46Å; Y113-K123 HydrophobicContact CG-CG 3.7Å; Y113-R143 HydrophobicContact CD2-CB 4.4Å; Y113-R143 HydrophobicContact CE2-CG 4.34Å; Y113-H176 AromaticContact CZ-CE1 3.84Å; Y113-H176 AromaticContact CZ-ND1 3.62Å; Y113-H176 PolarHBondContact OH-CE1 3.31Å; Y113-H176 PolarHBondContact OH-ND1 3.44Å
114N90.9Very high94.4Very high69 Ų6954.7 Ų54.737%0.36927%0.273SS..BIsolated β-bridgetrans-94.3111.6172.6-173.3-60.3000110P112 A116 R117 K118 R119P112-N114 PolarHBondContact O-N 2.65Å; N114-A116 PolarHBondContact OD1-N 2.82Å; N114-A116 VanDerWaalsContact OD1-N 3.12Å; N114-R117 HydrophobicContact CB-CB 4.29Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 PolarHBondContact OD1-N 2.98Å; N114-K118 WeakPolarHBondContact O-CA 3.41Å; N114-K118 PolarHBondContact O-N 2.97Å; N114-R119 PolarHBondContact N-O 2.87Å; N114-R119 PolarHBondContact O-N 2.86Å
115V85.4Confident94.4Very high89 Ų8954.7 Ų54.754%0.53927%0.273SS..THydrogen-bonded Turntrans-61-47-178.4-179.40000111.8Y113 R117 K118Y113-V115 HydrophobicContact CD1-CG2 4.1Å; Y113-V115 HydrophobicContact CE1-CB 4.43Å; Y113-V115 HydrophobicContact CE1-CG2 4.03Å; V115-R117 PolarHBondContact O-N 2.91Å; V115-K118 WeakPolarHBondContact O-CG 3.17Å; V115-K118 PolarHBondContact O-N 2.84Å
116A85.9Confident94.4Very high95 Ų9554.9 Ų54.979%0.78527%0.274SS*.THydrogen-bonded Turntrans-63.4-41.1-17700000112.5N114N114-A116 PolarHBondContact OD1-N 2.82Å; N114-A116 VanDerWaalsContact OD1-N 3.12Å
117R88.9Confident94.4Very high190 Ų19052.8 Ų52.872%0.71726%0.257SS*.THydrogen-bonded Turntrans-87.3-7.6179.5-63.7-178.5178.7-177.7-0.6113.4N114 V115 R119N114-R117 HydrophobicContact CB-CB 4.29Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 PolarHBondContact OD1-N 2.98Å; V115-R117 PolarHBondContact O-N 2.91Å; R117-R119 HydrophobicContact CB-CB 4.33Å; R117-R119 WeakPolarHBondContact O-CG 3.47Å; R117-R119 PolarHBondContact O-N 2.87Å
118K88.3Confident94.5Very high127 Ų12746.1 Ų46.155%0.55223%0.232SC*.THydrogen-bonded Turntrans48.141.2-171.6-58.5-179.7-179177.60113.6Y113 N114 V115Y113-K118 VanDerWaalsContact OH-CA 3.26Å; Y113-K118 WeakPolarHBondContact OH-CA 3.34Å; N114-K118 WeakPolarHBondContact O-CA 3.41Å; N114-K118 PolarHBondContact O-N 2.97Å; V115-K118 WeakPolarHBondContact O-CG 3.17Å; V115-K118 PolarHBondContact O-N 2.84Å
119R92.4Very high94.5Very high187 Ų18746.9 Ų46.971%0.70624%0.236SC*.BIsolated β-bridgetrans-128.8154.1-174.7-80.4-179.3176.8-168.8-0.8111.4Y113 N114 R117Y113-R119 CarbonylContact C-O 3.52Å; Y113-R119 WeakPolarHBondContact CA-O 3.47Å; Y113-R119 WeakPolarHBondContact CD2-O 3.26Å; N114-R119 PolarHBondContact N-O 2.87Å; N114-R119 PolarHBondContact O-N 2.86Å; R117-R119 HydrophobicContact CB-CB 4.33Å; R117-R119 WeakPolarHBondContact O-CG 3.47Å; R117-R119 PolarHBondContact O-N 2.87Å
120G94.6Very high94.5Very high14 Ų1446.3 Ų46.314%0.14423%0.229CC..  trans97.7-178.4-174.400000111.7Y113Y113-G120 WeakPolarHBondContact CD2-O 3.12Å
121E96.4Very high94.2Very high23 Ų2351.3 Ų51.311%0.10725%0.253CS..SBendtrans-130.8-46.8-170.4-70.1-56.5143.100112.9T111 K123 L142 R143 S144 K147T111-E121 PolarHBondContact O-N 2.98Å; E121-K123 PolarHBondContact O-N 2.95Å; E121-L142 CarbonylContact O-C 3.57Å; E121-L142 VanDerWaalsContact O-CA 3.26Å; E121-L142 WeakPolarHBondContact O-CA 2.99Å; E121-R143 PolarHBondContact O-N 2.84Å; E121-R143 IonicContact OE1-NH1 2.97Å; E121-S144 PolarHBondContact OE2-N 2.82Å; E121-S144 PolarHBondContact OE2-OG 2.79Å; E121-K147 HydrophobicContact CB-CG 4.13Å; E121-K147 HydrophobicContact CG-CG 3.82Å
122L97.8Very high93.9Very high0 Ų050.9 Ų50.90%025%0.252CS..EExtended strand (participates in β ladder)trans-85.4112-175.7178.460.4000111.1V63 I105 L110 T111 P112 Y113 Y124 I125 F140 L142V63-L122 HydrophobicContact CB-CD2 4.22Å; V63-L122 HydrophobicContact CB-CG 3.98Å; V63-L122 HydrophobicContact CG1-CD2 3.83Å; V63-L122 HydrophobicContact CG1-CG 4.08Å; V63-L122 HydrophobicContact CG2-CD1 4.38Å; V63-L122 HydrophobicContact CG2-CD2 3.97Å; V63-L122 HydrophobicContact CG2-CG 3.81Å; I105-L122 HydrophobicContact CD1-CD2 3.97Å; I105-L122 HydrophobicContact CG1-CD2 3.79Å; I105-L122 HydrophobicContact CG2-CD2 4.36Å; L110-L122 HydrophobicContact CB-CB 4.06Å; L110-L122 HydrophobicContact CB-CD2 3.93Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å; T111-L122 PolarHBondContact O-N 3.09Å; P112-L122 CarbonylContact C-O 3.5Å; P112-L122 WeakPolarHBondContact CA-O 3.37Å; Y113-L122 WeakPolarHBondContact CB-O 3.21Å; Y113-L122 PolarHBondContact N-O 3.03Å; L122-Y124 WeakPolarHBondContact CD1-O 3.46Å; L122-I125 HydrophobicContact CD1-CG1 4.29Å; L122-I125 HydrophobicContact CD2-CD1 4.31Å; L122-I125 HydrophobicContact CD2-CG1 4.48Å; L122-F140 HydrophobicContact CD1-CB 4.34Å; L122-F140 HydrophobicContact CD1-CD1 4.09Å; L122-L142 HydrophobicContact CB-CD2 4.09Å; L122-L142 HydrophobicContact CD1-CD2 3.74Å
123K96.2Very high93.8Very high14 Ų1454.3 Ų54.36%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-90.9-50.9-180-66.7-177.9170.9-178.90112V63 Y113 E121 V141 Q173 V175V63-K123 PolarHBondContact N-O 3.27Å; Y113-K123 HydrophobicContact CD1-CD 4.28Å; Y113-K123 HydrophobicContact CD1-CG 3.83Å; Y113-K123 HydrophobicContact CD2-CG 4.5Å; Y113-K123 HydrophobicContact CG-CD 4.46Å; Y113-K123 HydrophobicContact CG-CG 3.7Å; E121-K123 PolarHBondContact O-N 2.95Å; K123-V141 HydrophobicContact CB-CG1 4.47Å; K123-V141 PolarHBondContact N-O 3.42Å; K123-Q173 WeakPolarHBondContact CE-O 3.26Å; K123-Q173 PolarHBondContact NZ-O 2.94Å; K123-V175 PolarHBondContact NZ-O 3.48Å
124Y97.6Very high93.8Very high47 Ų4754.8 Ų54.818%0.18428%0.281CS..EExtended strand (participates in β ladder)trans-139.4152.8-175.2-49.6-90.4000111.7M61 V62 L122 V141 M180M61-Y124 CarbonylContact O-C 3.52Å; M61-Y124 WeakPolarHBondContact O-CA 3.42Å; V62-Y124 HydrophobicContact CB-CD1 4.41Å; V62-Y124 HydrophobicContact CB-CE1 4.5Å; V62-Y124 HydrophobicContact CG2-CD1 4.03Å; V62-Y124 HydrophobicContact CG2-CE1 3.79Å; L122-Y124 WeakPolarHBondContact CD1-O 3.46Å; Y124-V141 HydrophobicContact CD2-CB 3.92Å; Y124-V141 HydrophobicContact CD2-CG1 3.94Å; Y124-V141 HydrophobicContact CD2-CG2 4.28Å; Y124-V141 HydrophobicContact CG-CB 4.42Å; Y124-V141 PolarHBondContact N-O 2.93Å; Y124-V141 PolarHBondContact O-N 2.81Å; Y124-M180 HydrophobicContact CD1-CG 4.32Å; Y124-M180 HydrophobicContact CD2-CG 4.07Å; Y124-M180 HydrophobicContact CE1-CG 4.36Å; Y124-M180 HydrophobicContact CE2-CG 4.15Å; Y124-M180 HydrophobicContact CG-CG 4.18Å
125I98.3Very high94.1Very high0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-114.3125.5161.1-76.2174000107.3M61 V63 L72 L101 I105 L122 L138 R139 F140M61-I125 HydrophobicContact CB-CB 4.47Å; M61-I125 PolarHBondContact N-O 3.48Å; M61-I125 PolarHBondContact O-N 2.88Å; V63-I125 HydrophobicContact CG2-CB 4.28Å; V63-I125 HydrophobicContact CG2-CD1 4.09Å; V63-I125 HydrophobicContact CG2-CG1 3.86Å; L72-I125 HydrophobicContact CD2-CD1 3.98Å; L101-I125 HydrophobicContact CD1-CD1 4.31Å; L101-I125 HydrophobicContact CD1-CG2 4.04Å; I105-I125 HydrophobicContact CD1-CD1 3.99Å; I105-I125 HydrophobicContact CG1-CD1 4.47Å; L122-I125 HydrophobicContact CD1-CG1 4.29Å; L122-I125 HydrophobicContact CD2-CD1 4.31Å; L122-I125 HydrophobicContact CD2-CG1 4.48Å; I125-L138 HydrophobicContact CG2-CD1 3.64Å; I125-R139 WeakPolarHBondContact CA-O 3.4Å; I125-F140 HydrophobicContact CD1-CE1 4.37Å; I125-F140 HydrophobicContact CG1-CD1 4.23Å; I125-F140 HydrophobicContact CG1-CE1 4.46Å
126L98.1Very high94.7Very high4 Ų447.4 Ų47.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-111.2122.3174.2-39.4176.3000107.6A59 K60 R139 V141 M180 E181A59-L126 WeakPolarHBondContact O-CA 3.23Å; K60-L126 HydrophobicContact CB-CD2 4.02Å; K60-L126 HydrophobicContact CG-CD2 4.05Å; L126-R139 HydrophobicContact CB-CB 4.11Å; L126-R139 PolarHBondContact N-O 2.67Å; L126-R139 PolarHBondContact O-N 3.22Å; L126-V141 HydrophobicContact CD1-CG2 3.92Å; L126-V141 HydrophobicContact CG-CG2 4.03Å; L126-M180 HydrophobicContact CD2-CG 4.44Å; L126-M180 HydrophobicContact CD2-SD 3.8Å; L126-E181 HydrophobicContact CD1-CG 3.99Å
127L98.2Very high95.3Very high0 Ų043 Ų430%020%0.202CC..EExtended strand (participates in β ladder)trans-119130.3179.7-177.265.3000108.4K58 A59 F94 V97 F98 M136 M137 L138 L165K58-L127 CarbonylContact C-O 3.6Å; K58-L127 VanDerWaalsContact CA-O 3.24Å; K58-L127 WeakPolarHBondContact CA-O 3.34Å; A59-L127 HydrophobicContact CB-CB 4.37Å; A59-L127 PolarHBondContact N-O 3.5Å; A59-L127 PolarHBondContact O-N 2.75Å; F94-L127 HydrophobicContact CB-CD2 4.38Å; F94-L127 HydrophobicContact CD1-CD2 4.11Å; F94-L127 HydrophobicContact CD2-CD2 3.82Å; F94-L127 HydrophobicContact CE1-CD2 4.32Å; F94-L127 HydrophobicContact CE2-CB 4.47Å; F94-L127 HydrophobicContact CE2-CD2 4.02Å; F94-L127 HydrophobicContact CE2-CG 4.24Å; F94-L127 HydrophobicContact CG-CD2 3.84Å; F94-L127 HydrophobicContact CZ-CD2 4.24Å; F94-L127 HydrophobicContact CZ-CG 4.23Å; V97-L127 HydrophobicContact CB-CD2 4Å; V97-L127 HydrophobicContact CG1-CD1 3.98Å; V97-L127 HydrophobicContact CG1-CD2 3.61Å; V97-L127 HydrophobicContact CG1-CG 4.46Å; V97-L127 HydrophobicContact CG2-CD2 4.44Å; F98-L127 HydrophobicContact CE1-CD2 3.88Å; F98-L127 HydrophobicContact CZ-CD2 4.25Å; L127-M136 HydrophobicContact CD1-CB 4.26Å; L127-M136 HydrophobicContact CD1-SD 4.26Å; L127-M137 WeakPolarHBondContact CA-O 3.46Å; L127-L138 HydrophobicContact CD1-CB 4.38Å; L127-L138 HydrophobicContact CD1-CD1 4.34Å; L127-L165 HydrophobicContact CD1-CD2 4.25Å
128T97.8Very high95.8Very high4 Ų434 Ų343%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-128.8138.6174-50.70000109.3N57 K58 M136 M137N57-T128 CarbonylContact O-C 3.5Å; N57-T128 VanDerWaalsContact O-CA 3.28Å; N57-T128 WeakPolarHBondContact O-CA 3.4Å; K58-T128 WeakPolarHBondContact CE-OG1 3.41Å; T128-M136 CarbonylContact O-C 3.57Å; T128-M136 VanDerWaalsContact O-CA 3.24Å; T128-M136 WeakPolarHBondContact O-CA 3.21Å; T128-M137 PolarHBondContact N-O 2.81Å; T128-M137 PolarHBondContact O-N 3.21Å
129E97.4Very high96.3Very high16 Ų1628.5 Ų28.58%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-115.3137.2175.1175.1-177-133.200110.4N57 P91 S93 F94 Q131 M136N57-E129 PolarHBondContact ND2-O 2.82Å; N57-E129 PolarHBondContact O-N 3.46Å; P91-E129 WeakPolarHBondContact CG-OE2 3.43Å; S93-E129 VanDerWaalsContact CB-OE1 3.3Å; S93-E129 WeakPolarHBondContact CB-OE1 3.38Å; S93-E129 PolarHBondContact OG-OE1 2.95Å; S93-E129 PolarHBondContact OG-OE2 3.47Å; S93-E129 VanDerWaalsContact OG-OE2 3.09Å; F94-E129 HydrophobicContact CE1-CB 3.62Å; F94-E129 HydrophobicContact CZ-CB 4.21Å; E129-Q131 PolarHBondContact OE2-NE2 3.29Å; E129-M136 HydrophobicContact CB-CE 4.17Å; E129-M136 HydrophobicContact CB-CG 3.98Å; E129-M136 HydrophobicContact CG-CE 3.98Å; E129-M136 HydrophobicContact CG-CG 4.17Å; E129-M136 VanDerWaalsContact OE1-CE 3.29Å; E129-M136 WeakPolarHBondContact OE1-CE 3.39Å
130S95.7Very high96.6Very high0 Ų019.6 Ų19.60%011%0.11CC..  trans-81.6127.9166.1173.70000110.1S132 G134 G135 A195 E196S130-S132 VanDerWaalsContact C-N 3.29Å; S130-S132 WeakPolarHBondContact OG-CB 3.42Å; S130-S132 PolarHBondContact OG-N 2.85Å; S130-G134 VanDerWaalsContact O-CA 3.25Å; S130-G134 WeakPolarHBondContact O-CA 3.25Å; S130-G134 PolarHBondContact O-N 3.04Å; S130-G135 WeakPolarHBondContact CB-O 3.34Å; S130-G135 PolarHBondContact N-O 3.33Å; S130-A195 VanDerWaalsContact CB-O 3.27Å; S130-A195 WeakPolarHBondContact CB-O 3.37Å; S130-A195 PolarHBondContact OG-O 3.47Å; S130-E196 WeakPolarHBondContact CA-OE2 3.47Å
131Q90.9Very high96.7Very high105 Ų10519 Ų1949%0.49110%0.103SC..THydrogen-bonded Turntrans-75.7-21173.6-64-65.5-68.400112.2E129 D133 E196 P215E129-Q131 PolarHBondContact OE2-NE2 3.29Å; Q131-D133 VanDerWaalsContact C-N 3.35Å; Q131-D133 PolarHBondContact O-N 3Å; Q131-E196 PolarHBondContact N-OE2 2.8Å; Q131-P215 HydrophobicContact CG-CB 3.68Å; Q131-P215 HydrophobicContact CG-CG 3.63Å
132S91.1Very high96.8Very high54 Ų5417.9 Ų17.938%0.37810%0.098SC..THydrogen-bonded Turntrans-61.7-40.1179179.80000112.8S130 E196S130-S132 VanDerWaalsContact C-N 3.29Å; S130-S132 WeakPolarHBondContact OG-CB 3.42Å; S130-S132 PolarHBondContact OG-N 2.85Å; S132-E196 VanDerWaalsContact CB-OE1 3.29Å; S132-E196 WeakPolarHBondContact CB-OE1 3.42Å; S132-E196 PolarHBondContact N-OE1 3.08Å
133D92.9Very high96.8Very high84 Ų8422 Ų2245%0.44911%0.113SC..THydrogen-bonded Turntrans-146.37.9-174.268.423.2000115.5Q131 G135 K166Q131-D133 VanDerWaalsContact C-N 3.35Å; Q131-D133 PolarHBondContact O-N 3Å; D133-G135 PolarHBondContact O-N 2.87Å; D133-G135 WeakPolarHBondContact OD1-CA 3.24Å; D133-G135 PolarHBondContact OD1-N 3.44Å; D133-K166 IonicContact OD1-NZ 2.68Å; D133-K166 PolarHBondContact OD1-NZ 3.48Å; D133-K166 IonicContact OD2-NZ 3.13Å; D133-K166 PolarHBondContact OD2-NZ 2.89Å
134G95.4Very high96.7Very high28 Ų2822.5 Ų22.529%0.28912%0.119SC..  trans71.83.7-178.300000114.5S130S130-G134 VanDerWaalsContact O-CA 3.25Å; S130-G134 WeakPolarHBondContact O-CA 3.25Å; S130-G134 PolarHBondContact O-N 3.04Å
135G97.5Very high96.7Very high1 Ų125.1 Ų25.11%0.0114%0.136CC..  trans-65.3144.217500000112S130 D133S130-G135 WeakPolarHBondContact CB-O 3.34Å; S130-G135 PolarHBondContact N-O 3.33Å; D133-G135 PolarHBondContact O-N 2.87Å; D133-G135 WeakPolarHBondContact OD1-CA 3.24Å; D133-G135 PolarHBondContact OD1-N 3.44Å
136M98.3Very high96.6Very high3 Ų330.1 Ų30.12%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-126.1147.6-171-68.4-176.5-177.600113.3F94 V97 L127 T128 E129 Q164 L165 K166 V167F94-M136 HydrophobicContact CD1-CE 4.2Å; F94-M136 HydrophobicContact CE1-CE 4.38Å; V97-M136 HydrophobicContact CG2-CE 4.31Å; V97-M136 HydrophobicContact CG2-SD 3.59Å; V97-M136 VanDerWaalsContact CG2-SD 3.59Å; L127-M136 HydrophobicContact CD1-CB 4.26Å; L127-M136 HydrophobicContact CD1-SD 4.26Å; T128-M136 CarbonylContact O-C 3.57Å; T128-M136 VanDerWaalsContact O-CA 3.24Å; T128-M136 WeakPolarHBondContact O-CA 3.21Å; E129-M136 HydrophobicContact CB-CE 4.17Å; E129-M136 HydrophobicContact CB-CG 3.98Å; E129-M136 HydrophobicContact CG-CE 3.98Å; E129-M136 HydrophobicContact CG-CG 4.17Å; E129-M136 VanDerWaalsContact OE1-CE 3.29Å; E129-M136 WeakPolarHBondContact OE1-CE 3.39Å; M136-Q164 HydrophobicContact CE-CG 4.46Å; M136-Q164 HydrophobicContact CG-CG 4.25Å; M136-Q164 PolarHBondContact N-O 3.33Å; M136-Q164 HydrophobicContact SD-CG 3.89Å; M136-L165 HydrophobicContact CB-CD2 3.8Å; M136-L165 CarbonylContact O-C 3.57Å; M136-K166 PolarHBondContact O-N 3.41Å; M136-V167 PolarHBondContact O-N 3.48Å
137M98.4Very high96.5Very high2 Ų232.4 Ų32.41%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-111.8118.8173.2177.4-174.8-59.100108.4L127 T128 R139 V167 L194 I205 P207L127-M137 WeakPolarHBondContact CA-O 3.46Å; T128-M137 PolarHBondContact N-O 2.81Å; T128-M137 PolarHBondContact O-N 3.21Å; M137-R139 HydrophobicContact CG-CG 3.88Å; M137-R139 HydrophobicContact SD-CG 4.08Å; M137-V167 CarbonylContact C-O 3.45Å; M137-V167 WeakPolarHBondContact CA-O 3.24Å; M137-V167 HydrophobicContact CB-CB 4.02Å; M137-V167 HydrophobicContact CE-CB 4.14Å; M137-V167 HydrophobicContact CE-CG1 3.97Å; M137-V167 HydrophobicContact CE-CG2 4.33Å; M137-V167 HydrophobicContact CG-CB 3.86Å; M137-V167 HydrophobicContact CG-CG1 3.92Å; M137-V167 HydrophobicContact SD-CG1 4.43Å; M137-L194 HydrophobicContact CB-CD1 3.6Å; M137-L194 HydrophobicContact CB-CD2 4.42Å; M137-L194 HydrophobicContact CB-CG 3.91Å; M137-L194 HydrophobicContact CE-CG 4.19Å; M137-I205 WeakPolarHBondContact CE-O 3.26Å; M137-P207 HydrophobicContact CE-CG 4.43Å; M137-P207 HydrophobicContact SD-CG 4.04Å
138L98.6Very high96.5Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-110.3123.1176.6174.569.7000109.8L101 I125 L127 F140 L158 L165 V167 I168 T169L101-L138 HydrophobicContact CD1-CD1 3.92Å; L101-L138 HydrophobicContact CD2-CD1 4.1Å; L101-L138 HydrophobicContact CD2-CD2 3.67Å; I125-L138 HydrophobicContact CG2-CD1 3.64Å; L127-L138 HydrophobicContact CD1-CB 4.38Å; L127-L138 HydrophobicContact CD1-CD1 4.34Å; L138-F140 HydrophobicContact CD2-CE1 4.46Å; L138-F140 HydrophobicContact CD2-CE2 3.66Å; L138-F140 HydrophobicContact CD2-CZ 3.53Å; L138-F140 HydrophobicContact CG-CE2 3.96Å; L138-F140 HydrophobicContact CG-CZ 4.09Å; L138-L158 HydrophobicContact CD2-CD2 3.63Å; L138-L165 HydrophobicContact CB-CD1 4.29Å; L138-L165 HydrophobicContact CB-CD2 3.72Å; L138-L165 HydrophobicContact CD2-CD1 3.7Å; L138-L165 HydrophobicContact CD2-CD2 4.48Å; L138-V167 PolarHBondContact N-O 2.9Å; L138-I168 VanDerWaalsContact O-CA 3.26Å; L138-I168 WeakPolarHBondContact O-CA 3.18Å; L138-T169 PolarHBondContact O-N 2.58Å
139R98.5Very high96.5Very high13 Ų1337.3 Ų37.35%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-120.9125.6-179.4-48.117552.3-146.7-2.5109.7I125 L126 M137 T169 E181 E185I125-R139 WeakPolarHBondContact CA-O 3.4Å; L126-R139 HydrophobicContact CB-CB 4.11Å; L126-R139 PolarHBondContact N-O 2.67Å; L126-R139 PolarHBondContact O-N 3.22Å; M137-R139 HydrophobicContact CG-CG 3.88Å; M137-R139 HydrophobicContact SD-CG 4.08Å; R139-T169 WeakPolarHBondContact CA-O 3.48Å; R139-T169 WeakPolarHBondContact CG-OG1 3.38Å; R139-E181 IonicContact CZ-OE2 3.3Å; R139-E181 IonicContact NH1-OE1 3.72Å; R139-E181 IonicContact NH1-OE2 3.88Å; R139-E181 PolarHBondContact NH1-OE2 2.82Å; R139-E181 IonicContact NH2-OE2 3.78Å; R139-E181 PolarHBondContact NH2-OE2 3.02Å; R139-E185 IonicContact CZ-OE2 3.28Å; R139-E185 IonicContact NE-OE1 3.71Å; R139-E185 IonicContact NE-OE2 3.53Å; R139-E185 IonicContact NH2-OE1 3.73Å; R139-E185 IonicContact NH2-OE2 3.94Å; R139-E185 PolarHBondContact NH2-OE2 3.21Å
140F98.6Very high96.4Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-93.8118.9172-61.9-85.9000108.8L101 F104 L110 L122 I125 L138 L142 L151 L158 I168 T169 V170 N171L101-F140 HydrophobicContact CD2-CE1 4.42Å; L101-F140 HydrophobicContact CD2-CZ 4.31Å; F104-F140 HydrophobicContact CD1-CE1 4.12Å; F104-F140 AromaticContact CD1-CZ 3.92Å; F104-F140 HydrophobicContact CD1-CZ 3.92Å; F104-F140 AromaticContact CE1-CE1 3.92Å; F104-F140 HydrophobicContact CE1-CE1 3.92Å; F104-F140 HydrophobicContact CE1-CE2 4.34Å; F104-F140 AromaticContact CE1-CZ 3.47Å; F104-F140 HydrophobicContact CE1-CZ 3.47Å; F104-F140 VanDerWaalsContact CE1-CZ 3.47Å; L110-F140 HydrophobicContact CD1-CD1 3.99Å; L110-F140 HydrophobicContact CD1-CE1 4.12Å; L122-F140 HydrophobicContact CD1-CB 4.34Å; L122-F140 HydrophobicContact CD1-CD1 4.09Å; I125-F140 HydrophobicContact CD1-CE1 4.37Å; I125-F140 HydrophobicContact CG1-CD1 4.23Å; I125-F140 HydrophobicContact CG1-CE1 4.46Å; L138-F140 HydrophobicContact CD2-CE1 4.46Å; L138-F140 HydrophobicContact CD2-CE2 3.66Å; L138-F140 HydrophobicContact CD2-CZ 3.53Å; L138-F140 HydrophobicContact CG-CE2 3.96Å; L138-F140 HydrophobicContact CG-CZ 4.09Å; F140-L142 HydrophobicContact CB-CD2 4.29Å; F140-L142 HydrophobicContact CB-CG 4.44Å; F140-L151 HydrophobicContact CB-CD2 4.39Å; F140-L151 HydrophobicContact CD2-CD1 4.47Å; F140-L151 HydrophobicContact CD2-CD2 3.95Å; F140-L151 HydrophobicContact CE2-CD1 4.16Å; F140-L151 HydrophobicContact CE2-CD2 4.43Å; F140-L151 HydrophobicContact CG-CD2 4.13Å; F140-L151 HydrophobicContact CZ-CD1 4.27Å; F140-L158 HydrophobicContact CZ-CD2 4.19Å; F140-I168 HydrophobicContact CD2-CG2 4.15Å; F140-I168 HydrophobicContact CE2-CG2 3.75Å; F140-T169 PolarHBondContact N-O 2.89Å; F140-V170 HydrophobicContact CB-CG2 4.07Å; F140-V170 CarbonylContact O-C 3.5Å; F140-V170 VanDerWaalsContact O-CA 3.28Å; F140-V170 WeakPolarHBondContact O-CA 3.45Å; F140-N171 PolarHBondContact O-N 2.84Å
141V98.1Very high96.5Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-92.9110.1170.8-173.40000108.5K123 Y124 L126 N171 Q173 M180K123-V141 HydrophobicContact CB-CG1 4.47Å; K123-V141 PolarHBondContact N-O 3.42Å; Y124-V141 HydrophobicContact CD2-CB 3.92Å; Y124-V141 HydrophobicContact CD2-CG1 3.94Å; Y124-V141 HydrophobicContact CD2-CG2 4.28Å; Y124-V141 HydrophobicContact CG-CB 4.42Å; Y124-V141 PolarHBondContact N-O 2.93Å; Y124-V141 PolarHBondContact O-N 2.81Å; L126-V141 HydrophobicContact CD1-CG2 3.92Å; L126-V141 HydrophobicContact CG-CG2 4.03Å; V141-N171 CarbonylContact C-O 3.57Å; V141-N171 WeakPolarHBondContact CA-O 3.48Å; V141-N171 HydrophobicContact CG2-CB 4.23Å; V141-Q173 HydrophobicContact CG1-CB 3.76Å; V141-M180 WeakPolarHBondContact CG1-O 3.41Å
142L98.1Very high96.9Very high0 Ų040.5 Ų40.50%022%0.224CC..EExtended strand (participates in β ladder)trans-105154-179.6-55.6-174.2000111.1L110 E121 L122 F140 S144 V170 N171 I172 Q173L110-L142 HydrophobicContact CD2-CD2 4.16Å; E121-L142 CarbonylContact O-C 3.57Å; E121-L142 VanDerWaalsContact O-CA 3.26Å; E121-L142 WeakPolarHBondContact O-CA 2.99Å; L122-L142 HydrophobicContact CB-CD2 4.09Å; L122-L142 HydrophobicContact CD1-CD2 3.74Å; F140-L142 HydrophobicContact CB-CD2 4.29Å; F140-L142 HydrophobicContact CB-CG 4.44Å; L142-S144 WeakPolarHBondContact CB-O 3.16Å; L142-V170 HydrophobicContact CB-CG1 4.38Å; L142-V170 HydrophobicContact CD1-CG1 3.73Å; L142-V170 HydrophobicContact CD1-CG2 4.24Å; L142-V170 HydrophobicContact CG-CG1 3.95Å; L142-N171 PolarHBondContact N-O 2.99Å; L142-I172 HydrophobicContact CB-CD1 4.35Å; L142-Q173 PolarHBondContact O-N 3.12Å
143R96.2Very high97.2Very high86 Ų8646.7 Ų46.733%0.32524%0.244SC..SBendtrans-67.9-45.4172.1179.5-161.3172.2-149.5-2.9111.3Y113 E121 Q173 P174Y113-R143 HydrophobicContact CD2-CB 4.4Å; Y113-R143 HydrophobicContact CE2-CG 4.34Å; E121-R143 PolarHBondContact O-N 2.84Å; E121-R143 IonicContact OE1-NH1 2.97Å; R143-Q173 WeakPolarHBondContact CA-O 3.33Å; R143-Q173 CarbonylContact O-C 3.6Å; R143-P174 VanDerWaalsContact O-CA 3.26Å; R143-P174 WeakPolarHBondContact O-CA 3.42Å
144S96.1Very high97.4Very high26 Ų2643.1 Ų43.118%0.18223%0.226CC..SBendtrans-140.3176.1175.868.10000111.1E121 L142 T146E121-S144 PolarHBondContact OE2-N 2.82Å; E121-S144 PolarHBondContact OE2-OG 2.79Å; L142-S144 WeakPolarHBondContact CB-O 3.16Å; S144-T146 PolarHBondContact O-N 3.46Å; S144-T146 WeakPolarHBondContact OG-CB 3.43Å; S144-T146 PolarHBondContact OG-N 3.03Å; S144-T146 PolarHBondContact OG-OG1 2.8Å
145D96.4Very high97.5Very high102 Ų10242.6 Ų42.655%0.54522%0.216SC..G310 helixtrans-81.11.1176.664-8.8000113.4K147 L148 I172D145-K147 PolarHBondContact O-N 2.83Å; D145-L148 HydrophobicContact CB-CB 4.49Å; D145-L148 WeakPolarHBondContact O-CB 3.22Å; D145-L148 PolarHBondContact O-N 2.82Å; D145-I172 HydrophobicContact CB-CD1 4.16Å
146T96.7Very high97.5Very high104 Ų10446.9 Ų46.964%0.63824%0.244SC*.G310 helixtrans-56.9-29.3-173.8-560000113.3S144S144-T146 PolarHBondContact O-N 3.46Å; S144-T146 WeakPolarHBondContact OG-CB 3.43Å; S144-T146 PolarHBondContact OG-N 3.03Å; S144-T146 PolarHBondContact OG-OG1 2.8Å
147K96.4Very high97.5Very high53 Ų5349.2 Ų49.223%0.2325%0.252CS..G310 helixtrans-96.70.8178-68.8-63.1-166.7175.20114.5G109 L110 E121 D145 A149 Q150 L151G109-K147 WeakPolarHBondContact O-CE 3.39Å; G109-K147 PolarHBondContact O-NZ 2.92Å; L110-K147 HydrophobicContact CD2-CB 3.78Å; L110-K147 HydrophobicContact CD2-CG 4.33Å; E121-K147 HydrophobicContact CB-CG 4.13Å; E121-K147 HydrophobicContact CG-CG 3.82Å; D145-K147 PolarHBondContact O-N 2.83Å; K147-A149 PolarHBondContact O-N 2.91Å; K147-Q150 PolarHBondContact O-N 2.55Å; K147-L151 WeakPolarHBondContact O-CB 3.28Å; K147-L151 PolarHBondContact O-N 3.45Å
148L97.6Very high97.5Very high30 Ų3049.1 Ų49.116%0.15725%0.252CS..Hα-helixtrans-59.2-45-174.2-177.662.7000112.6D145 Q150 L151 R152 V170 I186 L188D145-L148 HydrophobicContact CB-CB 4.49Å; D145-L148 WeakPolarHBondContact O-CB 3.22Å; D145-L148 PolarHBondContact O-N 2.82Å; L148-Q150 PolarHBondContact O-N 3.01Å; L148-L151 PolarHBondContact O-N 3.26Å; L148-R152 WeakPolarHBondContact O-CG 3.34Å; L148-R152 PolarHBondContact O-N 3.01Å; L148-V170 HydrophobicContact CD1-CB 4.28Å; L148-V170 HydrophobicContact CD1-CG1 4.47Å; L148-V170 HydrophobicContact CD1-CG2 4.08Å; L148-I186 HydrophobicContact CD1-CG2 4.33Å; L148-I186 HydrophobicContact CD2-CD1 3.79Å; L148-I186 HydrophobicContact CD2-CG2 4.29Å; L148-L188 HydrophobicContact CD1-CD2 3.76Å
149A97.1Very high97.3Very high77 Ų7752.9 Ų52.964%0.63627%0.269SS*.Hα-helixtrans-63.9-41.517900000112.3K147 R152 K153K147-A149 PolarHBondContact O-N 2.91Å; A149-R152 PolarHBondContact O-N 3.31Å; A149-K153 PolarHBondContact O-N 2.68Å; A149-K153 VanDerWaalsContact O-N 3.13Å
150Q96.5Very high97.3Very high79 Ų7959.1 Ų59.137%0.36930%0.299SS..Hα-helixtrans-66-42.1177.2-171.7176.3-1.300111.3A108 K147 L148 K153 A154A108-Q150 VanDerWaalsContact O-CG 3.27Å; A108-Q150 WeakPolarHBondContact O-CG 3.45Å; A108-Q150 PolarHBondContact O-NE2 2.77Å; K147-Q150 PolarHBondContact O-N 2.55Å; L148-Q150 PolarHBondContact O-N 3.01Å; Q150-K153 PolarHBondContact O-N 2.83Å; Q150-A154 PolarHBondContact O-N 2.7Å
151L97.8Very high97.2Very high0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-60-50.9174.9174.753.9000111.1F104 A108 L110 F140 K147 L148 K153 A154 L155 V170 L188F104-L151 HydrophobicContact CE1-CD1 3.51Å; F104-L151 HydrophobicContact CZ-CD1 3.53Å; A108-L151 HydrophobicContact CB-CD1 4.23Å; L110-L151 HydrophobicContact CD1-CD1 4.26Å; F140-L151 HydrophobicContact CB-CD2 4.39Å; F140-L151 HydrophobicContact CD2-CD1 4.47Å; F140-L151 HydrophobicContact CD2-CD2 3.95Å; F140-L151 HydrophobicContact CE2-CD1 4.16Å; F140-L151 HydrophobicContact CE2-CD2 4.43Å; F140-L151 HydrophobicContact CG-CD2 4.13Å; F140-L151 HydrophobicContact CZ-CD1 4.27Å; K147-L151 WeakPolarHBondContact O-CB 3.28Å; K147-L151 PolarHBondContact O-N 3.45Å; L148-L151 PolarHBondContact O-N 3.26Å; L151-K153 VanDerWaalsContact C-N 3.25Å; L151-K153 PolarHBondContact O-N 2.66Å; L151-A154 PolarHBondContact O-N 2.93Å; L151-L155 HydrophobicContact CD1-CD2 4.16Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.48Å; L151-V170 HydrophobicContact CD2-CG2 3.32Å; L151-L188 HydrophobicContact CD2-CD1 3.96Å; L151-L188 HydrophobicContact CG-CD1 4.11Å
152R97.9Very high97.2Very high109 Ų10963.8 Ų63.841%0.41132%0.321SS..Hα-helixtrans-54.2-41.4177-76.2-177.2-179-80.2-0.8112.4L148 A149 A154 L155 Y187 L188L148-R152 WeakPolarHBondContact O-CG 3.34Å; L148-R152 PolarHBondContact O-N 3.01Å; A149-R152 PolarHBondContact O-N 3.31Å; R152-A154 VanDerWaalsContact C-N 3.29Å; R152-A154 PolarHBondContact O-N 2.76Å; R152-L155 PolarHBondContact O-N 2.87Å; R152-Y187 PolarHBondContact NH2-O 3.34Å; R152-Y187 VanDerWaalsContact NH2-O 3.12Å; R152-L188 HydrophobicContact CG-CD2 4.22Å; R152-L188 VanDerWaalsContact CZ-CD2 3.47Å
153K97.8Very high97.2Very high184 Ų18468.5 Ų68.580%0.835%0.351SS*.Hα-helixtrans-66.1-28.8177.3-171.5175.9-179.7177.80113.3A149 Q150 L151A149-K153 PolarHBondContact O-N 2.68Å; A149-K153 VanDerWaalsContact O-N 3.13Å; Q150-K153 PolarHBondContact O-N 2.83Å; L151-K153 VanDerWaalsContact C-N 3.25Å; L151-K153 PolarHBondContact O-N 2.66Å
154A97.7Very high97.2Very high9 Ų966.9 Ų66.97%0.07435%0.348CS..Hα-helixtrans-85.6-24.6179.900000113.4F104 R107 A108 Q150 L151 R152 W157F104-A154 HydrophobicContact CE2-CB 3.64Å; F104-A154 WeakPolarHBondContact CE2-O 3.11Å; F104-A154 HydrophobicContact CZ-CB 3.98Å; R107-A154 HydrophobicContact CG-CB 4.47Å; A108-A154 HydrophobicContact CB-CB 3.89Å; Q150-A154 PolarHBondContact O-N 2.7Å; L151-A154 PolarHBondContact O-N 2.93Å; R152-A154 VanDerWaalsContact C-N 3.29Å; R152-A154 PolarHBondContact O-N 2.76Å; A154-W157 PolarHBondContact O-N 3.07Å
155L97.6Very high97.3Very high17 Ų1765.7 Ų65.79%0.08934%0.339CS..Hα-helixtrans-52.2-38.8-175-74.3176.2000116.2F104 L151 R152 W157 L158 H159 I168 L188F104-L155 HydrophobicContact CZ-CD2 4.16Å; L151-L155 HydrophobicContact CD1-CD2 4.16Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.48Å; R152-L155 PolarHBondContact O-N 2.87Å; L155-W157 PolarHBondContact O-N 3.33Å; L155-L158 HydrophobicContact CD2-CD2 4.36Å; L155-L158 WeakPolarHBondContact O-CA 3.24Å; L155-L158 WeakPolarHBondContact O-CB 3.31Å; L155-L158 PolarHBondContact O-N 3.22Å; L155-H159 PolarHBondContact O-N 2.93Å; L155-I168 HydrophobicContact CD2-CD1 4.06Å; L155-I168 HydrophobicContact CD2-CG2 4.04Å; L155-L188 HydrophobicContact CD1-CB 3.56Å; L155-L188 HydrophobicContact CD1-CD1 3.68Å; L155-L188 HydrophobicContact CD1-CG 4.21Å; L155-L188 HydrophobicContact CD2-CD1 4.32Å; L155-L188 HydrophobicContact CG-CD1 4.44Å
156P97.6Very high97.4Very high90 Ų9063.8 Ų63.858%0.58433%0.326SS*.Hα-helixtrans-54.3-39.6-179.7-29.636.9000112.9H159 E160P156-H159 PolarHBondContact O-N 3.19Å; P156-E160 PolarHBondContact O-N 3.49Å
157W97.7Very high97.4Very high53 Ų5358.9 Ų58.920%0.20130%0.296CS..Hα-helixtrans-65.6-39.9175.3178.981.8000112P103 F104 R107 A154 L155 H159 E160 Q161P103-W157 HydrophobicContact CG-CH2 4.13Å; F104-W157 HydrophobicContact CB-CZ3 3.88Å; F104-W157 AromaticContact CD2-CE3 3.72Å; F104-W157 HydrophobicContact CD2-CE3 3.72Å; F104-W157 AromaticContact CD2-CZ3 3.91Å; F104-W157 HydrophobicContact CD2-CZ3 3.91Å; F104-W157 HydrophobicContact CG-CZ3 4.37Å; R107-W157 VanDerWaalsContact CZ-CD1 3.44Å; A154-W157 PolarHBondContact O-N 3.07Å; L155-W157 PolarHBondContact O-N 3.33Å; W157-H159 VanDerWaalsContact C-N 3.33Å; W157-H159 PolarHBondContact O-N 3.47Å; W157-E160 PolarHBondContact O-N 3.3Å; W157-Q161 HydrophobicContact CD2-CG 3.99Å; W157-Q161 HydrophobicContact CE3-CG 4.15Å; W157-Q161 HydrophobicContact CH2-CG 3.76Å; W157-Q161 HydrophobicContact CZ2-CG 3.57Å; W157-Q161 HydrophobicContact CZ3-CG 4.03Å; W157-Q161 WeakPolarHBondContact O-CG 3.36Å; W157-Q161 PolarHBondContact O-N 2.98Å; W157-Q161 VanDerWaalsContact O-N 3.07Å
158L97.8Very high97.5Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-65.4-40178.7-170.565000111.5L101 F104 L138 F140 L155 E160 Q161 L162 L165 I168L101-L158 HydrophobicContact CD2-CD1 4.19Å; L101-L158 HydrophobicContact CD2-CD2 4.36Å; F104-L158 HydrophobicContact CB-CD1 4.07Å; F104-L158 HydrophobicContact CD1-CD1 4.31Å; F104-L158 HydrophobicContact CD1-CD2 4Å; F104-L158 HydrophobicContact CD2-CB 3.83Å; F104-L158 HydrophobicContact CD2-CD1 3.97Å; F104-L158 HydrophobicContact CD2-CD2 4.35Å; F104-L158 HydrophobicContact CD2-CG 4.27Å; F104-L158 HydrophobicContact CE1-CD2 3.82Å; F104-L158 HydrophobicContact CE2-CB 3.62Å; F104-L158 HydrophobicContact CE2-CD1 4.5Å; F104-L158 HydrophobicContact CE2-CD2 4.16Å; F104-L158 HydrophobicContact CE2-CG 4.32Å; F104-L158 HydrophobicContact CG-CB 4.45Å; F104-L158 HydrophobicContact CG-CD1 3.83Å; F104-L158 HydrophobicContact CG-CD2 4.25Å; F104-L158 HydrophobicContact CG-CG 4.42Å; F104-L158 HydrophobicContact CZ-CB 4.1Å; F104-L158 HydrophobicContact CZ-CD2 3.88Å; L138-L158 HydrophobicContact CD2-CD2 3.63Å; F140-L158 HydrophobicContact CZ-CD2 4.19Å; L155-L158 HydrophobicContact CD2-CD2 4.36Å; L155-L158 WeakPolarHBondContact O-CA 3.24Å; L155-L158 WeakPolarHBondContact O-CB 3.31Å; L155-L158 PolarHBondContact O-N 3.22Å; L158-E160 VanDerWaalsContact C-N 3.34Å; L158-Q161 PolarHBondContact O-N 3.42Å; L158-L162 HydrophobicContact CD1-CD1 3.82Å; L158-L162 HydrophobicContact CG-CD1 4.43Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 PolarHBondContact O-N 3.49Å; L158-L165 HydrophobicContact CD2-CD1 3.95Å; L158-L165 HydrophobicContact CG-CD1 3.93Å; L158-I168 HydrophobicContact CD2-CD1 4.46Å
159H96.2Very high97.6Very high78 Ų7854.9 Ų54.936%0.36128%0.277SS..Hα-helixtrans-63.5-39.5175.8-114.167.4000112.1L155 P156 W157 Q161 L162 P163 L165L155-H159 PolarHBondContact O-N 2.93Å; P156-H159 PolarHBondContact O-N 3.19Å; W157-H159 VanDerWaalsContact C-N 3.33Å; W157-H159 PolarHBondContact O-N 3.47Å; H159-Q161 VanDerWaalsContact C-N 3.35Å; H159-L162 CarbonylContact O-C 3.56Å; H159-L162 PolarHBondContact O-N 3.03Å; H159-P163 WeakPolarHBondContact O-CA 3.41Å; H159-P163 VanDerWaalsContact O-N 3.17Å; H159-L165 PolarHBondContact CE1-O 2.82Å; H159-L165 PolarHBondContact NE2-O 2.96Å
160E97.1Very high97.6Very high144 Ų14451.2 Ų51.267%0.67325%0.247SC*.Hα-helixtrans-62.6-41.6174.6-174.9-174.5-178.600111.8P156 W157 L158P156-E160 PolarHBondContact O-N 3.49Å; W157-E160 PolarHBondContact O-N 3.3Å; L158-E160 VanDerWaalsContact C-N 3.34Å
161Q97.8Very high97.7Very high93 Ų9347.5 Ų47.544%0.43523%0.229SC..Hα-helixtrans-74.2-32.4178.4-63.4-53.4-67.500113.1A100 W157 L158 H159A100-Q161 HydrophobicContact CB-CB 4.42Å; W157-Q161 HydrophobicContact CD2-CG 3.99Å; W157-Q161 HydrophobicContact CE3-CG 4.15Å; W157-Q161 HydrophobicContact CH2-CG 3.76Å; W157-Q161 HydrophobicContact CZ2-CG 3.57Å; W157-Q161 HydrophobicContact CZ3-CG 4.03Å; W157-Q161 WeakPolarHBondContact O-CG 3.36Å; W157-Q161 PolarHBondContact O-N 2.98Å; W157-Q161 VanDerWaalsContact O-N 3.07Å; L158-Q161 PolarHBondContact O-N 3.42Å; H159-Q161 VanDerWaalsContact C-N 3.35Å
162L97.8Very high97.7Very high5 Ų548.7 Ų48.73%0.02624%0.236CC..  trans-134.269.3-171.5-57.1174.8000111V97 A100 L158 H159 Q164 L165V97-L162 HydrophobicContact CB-CD1 4.31Å; V97-L162 HydrophobicContact CG1-CD1 3.94Å; V97-L162 HydrophobicContact CG2-CD1 4.38Å; V97-L162 HydrophobicContact CG2-CD2 4.12Å; A100-L162 HydrophobicContact CB-CD1 3.92Å; A100-L162 HydrophobicContact CB-CD2 4.01Å; A100-L162 HydrophobicContact CB-CG 3.99Å; L158-L162 HydrophobicContact CD1-CD1 3.82Å; L158-L162 HydrophobicContact CG-CD1 4.43Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 PolarHBondContact O-N 3.49Å; H159-L162 CarbonylContact O-C 3.56Å; H159-L162 PolarHBondContact O-N 3.03Å; L162-Q164 VanDerWaalsContact CA-OE1 3.24Å; L162-Q164 PolarHBondContact O-N 2.82Å; L162-L165 HydrophobicContact CB-CD1 3.82Å; L162-L165 HydrophobicContact CB-CG 3.82Å; L162-L165 HydrophobicContact CD1-CD1 3.74Å; L162-L165 HydrophobicContact CD1-CG 4.27Å; L162-L165 HydrophobicContact CG-CD1 4.47Å; L162-L165 WeakPolarHBondContact O-CB 3.42Å; L162-L165 PolarHBondContact O-N 2.92Å
163P96.6Very high97.6Very high99 Ų9943.7 Ų43.764%0.64322%0.217SC*.THydrogen-bonded Turntrans-62.5-16.1-178.726-35.6000113.5H159 L165H159-P163 WeakPolarHBondContact O-CA 3.41Å; H159-P163 VanDerWaalsContact O-N 3.17Å; P163-L165 PolarHBondContact O-N 2.95Å
164Q97.3Very high97.3Very high53 Ų5338.4 Ų38.425%0.24820%0.201CC..THydrogen-bonded Turntrans-71.8-12.8173.571.9-84.124.500114M136 L162 K166M136-Q164 HydrophobicContact CE-CG 4.46Å; M136-Q164 HydrophobicContact CG-CG 4.25Å; M136-Q164 PolarHBondContact N-O 3.33Å; M136-Q164 HydrophobicContact SD-CG 3.89Å; L162-Q164 VanDerWaalsContact CA-OE1 3.24Å; L162-Q164 PolarHBondContact O-N 2.82Å; Q164-K166 PolarHBondContact O-N 2.62Å
165L98.1Very high96.7Very high0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-74.191176-68.8-177.8000111.1L127 M136 L138 L158 H159 L162 P163 I168L127-L165 HydrophobicContact CD1-CD2 4.25Å; M136-L165 HydrophobicContact CB-CD2 3.8Å; M136-L165 CarbonylContact O-C 3.57Å; L138-L165 HydrophobicContact CB-CD1 4.29Å; L138-L165 HydrophobicContact CB-CD2 3.72Å; L138-L165 HydrophobicContact CD2-CD1 3.7Å; L138-L165 HydrophobicContact CD2-CD2 4.48Å; L158-L165 HydrophobicContact CD2-CD1 3.95Å; L158-L165 HydrophobicContact CG-CD1 3.93Å; H159-L165 PolarHBondContact CE1-O 2.82Å; H159-L165 PolarHBondContact NE2-O 2.96Å; L162-L165 HydrophobicContact CB-CD1 3.82Å; L162-L165 HydrophobicContact CB-CG 3.82Å; L162-L165 HydrophobicContact CD1-CD1 3.74Å; L162-L165 HydrophobicContact CD1-CG 4.27Å; L162-L165 HydrophobicContact CG-CD1 4.47Å; L162-L165 WeakPolarHBondContact O-CB 3.42Å; L162-L165 PolarHBondContact O-N 2.92Å; P163-L165 PolarHBondContact O-N 2.95Å; L165-I168 HydrophobicContact CB-CD1 4.13Å; L165-I168 HydrophobicContact CB-CG1 4.23Å; L165-I168 HydrophobicContact CD1-CD1 4.11Å
166K97.8Very high95.6Very high63 Ų6343.5 Ų43.527%0.27423%0.226SC..EExtended strand (participates in β ladder)trans-80.6-34-178.7-63.8-176.9-179.6167.90113.2D133 M136 Q164 T189 L194D133-K166 IonicContact OD1-NZ 2.68Å; D133-K166 PolarHBondContact OD1-NZ 3.48Å; D133-K166 IonicContact OD2-NZ 3.13Å; D133-K166 PolarHBondContact OD2-NZ 2.89Å; M136-K166 PolarHBondContact O-N 3.41Å; Q164-K166 PolarHBondContact O-N 2.62Å; K166-T189 PolarHBondContact O-OG1 3.46Å; K166-L194 HydrophobicContact CB-CD2 3.93Å
167V98Very high94.3Very high0 Ų045.8 Ų45.80%023%0.231CC..EExtended strand (participates in β ladder)trans-123.7120.4-178.9-174.30000109.4M136 M137 L138 T169 Y187 T189 Q191 L194M136-V167 PolarHBondContact O-N 3.48Å; M137-V167 CarbonylContact C-O 3.45Å; M137-V167 WeakPolarHBondContact CA-O 3.24Å; M137-V167 HydrophobicContact CB-CB 4.02Å; M137-V167 HydrophobicContact CE-CB 4.14Å; M137-V167 HydrophobicContact CE-CG1 3.97Å; M137-V167 HydrophobicContact CE-CG2 4.33Å; M137-V167 HydrophobicContact CG-CB 3.86Å; M137-V167 HydrophobicContact CG-CG1 3.92Å; M137-V167 HydrophobicContact SD-CG1 4.43Å; L138-V167 PolarHBondContact N-O 2.9Å; V167-T169 HydrophobicContact CG1-CG2 3.98Å; V167-Y187 HydrophobicContact CG1-CD1 4.4Å; V167-Y187 HydrophobicContact CG1-CE1 4.34Å; V167-T189 WeakPolarHBondContact CA-OG1 3.48Å; V167-Q191 HydrophobicContact CG2-CB 4.47Å; V167-Q191 HydrophobicContact CG2-CG 4Å; V167-L194 HydrophobicContact CG2-CD2 3.92Å; V167-L194 HydrophobicContact CG2-CG 4.29Å
168I98.5Very high93.1Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-122.9126.6173.5-51.6178.4000109.2L138 F140 L155 L158 L165 L188 T189L138-I168 VanDerWaalsContact O-CA 3.26Å; L138-I168 WeakPolarHBondContact O-CA 3.18Å; F140-I168 HydrophobicContact CD2-CG2 4.15Å; F140-I168 HydrophobicContact CE2-CG2 3.75Å; L155-I168 HydrophobicContact CD2-CD1 4.06Å; L155-I168 HydrophobicContact CD2-CG2 4.04Å; L158-I168 HydrophobicContact CD2-CD1 4.46Å; L165-I168 HydrophobicContact CB-CD1 4.13Å; L165-I168 HydrophobicContact CB-CG1 4.23Å; L165-I168 HydrophobicContact CD1-CD1 4.11Å; I168-L188 HydrophobicContact CB-CB 4.35Å; I168-L188 HydrophobicContact CG2-CB 4.38Å; I168-L188 HydrophobicContact CG2-CD1 3.98Å; I168-L188 HydrophobicContact CG2-CG 4.49Å; I168-L188 WeakPolarHBondContact O-CA 3.35Å; I168-L188 WeakPolarHBondContact O-CB 3.41Å; I168-L188 PolarHBondContact O-N 2.79Å; I168-T189 HydrophobicContact CB-CG2 3.9Å; I168-T189 HydrophobicContact CD1-CG2 4.33Å; I168-T189 HydrophobicContact CG1-CG2 3.89Å; I168-T189 PolarHBondContact N-OG1 3.24Å
169T98.4Very high92.4Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-133.4162.3178.473.90000113.1L138 R139 F140 V167 E185 I186 Y187 P207L138-T169 PolarHBondContact O-N 2.58Å; R139-T169 WeakPolarHBondContact CA-O 3.48Å; R139-T169 WeakPolarHBondContact CG-OG1 3.38Å; F140-T169 PolarHBondContact N-O 2.89Å; V167-T169 HydrophobicContact CG1-CG2 3.98Å; T169-E185 WeakPolarHBondContact CB-OE1 3.26Å; T169-E185 HydrophobicContact CG2-CG 4.34Å; T169-E185 PolarHBondContact OG1-OE1 3.01Å; T169-I186 CarbonylContact C-O 3.56Å; T169-I186 WeakPolarHBondContact CA-O 3.35Å; T169-I186 WeakPolarHBondContact CB-O 3.4Å; T169-Y187 HydrophobicContact CG2-CD1 3.43Å; T169-Y187 VanDerWaalsContact CG2-CD1 3.43Å; T169-Y187 HydrophobicContact CG2-CE1 3.66Å; T169-Y187 HydrophobicContact CG2-CG 4.11Å; T169-P207 HydrophobicContact CG2-CG 3.71Å
170V98.6Very high91.9Very high0 Ų051.6 Ų51.60%028%0.282CS..EExtended strand (participates in β ladder)trans-118.4121.2168.6164.90000108.7F140 L142 L148 L151 I172 E185 I186 L188F140-V170 HydrophobicContact CB-CG2 4.07Å; F140-V170 CarbonylContact O-C 3.5Å; F140-V170 VanDerWaalsContact O-CA 3.28Å; F140-V170 WeakPolarHBondContact O-CA 3.45Å; L142-V170 HydrophobicContact CB-CG1 4.38Å; L142-V170 HydrophobicContact CD1-CG1 3.73Å; L142-V170 HydrophobicContact CD1-CG2 4.24Å; L142-V170 HydrophobicContact CG-CG1 3.95Å; L148-V170 HydrophobicContact CD1-CB 4.28Å; L148-V170 HydrophobicContact CD1-CG1 4.47Å; L148-V170 HydrophobicContact CD1-CG2 4.08Å; L151-V170 HydrophobicContact CD2-CG2 3.32Å; V170-I172 HydrophobicContact CG1-CD1 3.48Å; V170-I172 VanDerWaalsContact CG1-CD1 3.48Å; V170-I172 HydrophobicContact CG1-CG1 4.4Å; V170-E185 CarbonylContact O-C 3.34Å; V170-I186 HydrophobicContact CB-CB 4.35Å; V170-I186 PolarHBondContact N-O 3.37Å; V170-I186 PolarHBondContact O-N 3.3Å; V170-L188 HydrophobicContact CG2-CD1 3.81Å; V170-L188 HydrophobicContact CG2-CD2 4.43Å; V170-L188 HydrophobicContact CG2-CG 4.42Å
171N98.2Very high91.7Very high0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-96.3130.2169.9-177.6-90000109.1F140 V141 L142 E181 G182 T184 E185 Q208F140-N171 PolarHBondContact O-N 2.84Å; V141-N171 CarbonylContact C-O 3.57Å; V141-N171 WeakPolarHBondContact CA-O 3.48Å; V141-N171 HydrophobicContact CG2-CB 4.23Å; L142-N171 PolarHBondContact N-O 2.99Å; N171-E181 VanDerWaalsContact OD1-CA 3.31Å; N171-E181 WeakPolarHBondContact OD1-CA 3.27Å; N171-G182 PolarHBondContact ND2-O 3.19Å; N171-G182 PolarHBondContact OD1-N 3.41Å; N171-T184 WeakPolarHBondContact CA-O 3.47Å; N171-E185 PolarHBondContact N-OE1 3.31Å; N171-E185 PolarHBondContact ND2-OE2 3.06Å; N171-Q208 PolarHBondContact ND2-NE2 3.21Å
172I97.5Very high91.5Very high25 Ų2542.8 Ų42.813%0.12824%0.243CC..EExtended strand (participates in β ladder)trans-97.9110.7178.6-52.6-59.2000109.4L142 D145 V170 G182 T184 I186L142-I172 HydrophobicContact CB-CD1 4.35Å; D145-I172 HydrophobicContact CB-CD1 4.16Å; V170-I172 HydrophobicContact CG1-CD1 3.48Å; V170-I172 VanDerWaalsContact CG1-CD1 3.48Å; V170-I172 HydrophobicContact CG1-CG1 4.4Å; I172-G182 WeakPolarHBondContact O-CA 3.13Å; I172-T184 HydrophobicContact CG1-CG2 4.38Å; I172-T184 PolarHBondContact N-O 3.36Å; I172-I186 HydrophobicContact CD1-CD1 4.37Å; I172-I186 HydrophobicContact CG1-CD1 4.14Å
173Q96Very high91.1Very high4 Ų451.5 Ų51.52%0.01928%0.284CS..  trans-119.690.8176.8179.437.8-54.100110.7K123 V141 L142 R143 V175 I179 E181K123-Q173 WeakPolarHBondContact CE-O 3.26Å; K123-Q173 PolarHBondContact NZ-O 2.94Å; V141-Q173 HydrophobicContact CG1-CB 3.76Å; L142-Q173 PolarHBondContact O-N 3.12Å; R143-Q173 WeakPolarHBondContact CA-O 3.33Å; R143-Q173 CarbonylContact O-C 3.6Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 3.28Å; Q173-V175 VanDerWaalsContact OE1-CB 3.31Å; Q173-I179 VanDerWaalsContact NE2-CG2 3.34Å; Q173-I179 PolarHBondContact NE2-O 3.48Å; Q173-E181 PolarHBondContact NE2-O 3.43Å
174P91.5Very high91.1Very high73 Ų7350.5 Ų50.547%0.47428%0.276SS..  trans-72.6-25.4-179.929.6-34.9000113.6R143 H176R143-P174 VanDerWaalsContact O-CA 3.26Å; R143-P174 WeakPolarHBondContact O-CA 3.42Å; P174-H176 PolarHBondContact O-CE1 2.9Å
175V85.5Confident91.1Very high52 Ų5249.5 Ų49.532%0.31527%0.271SS..  trans-70.4141.5-169.4-174.60000112K123 Q173 M177K123-V175 PolarHBondContact NZ-O 3.48Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-V175 PolarHBondContact O-N 3.28Å; Q173-V175 VanDerWaalsContact OE1-CB 3.31Å; V175-M177 VanDerWaalsContact C-N 3.35Å; V175-M177 HydrophobicContact CG1-CB 3.83Å; V175-M177 HydrophobicContact CG1-CE 3.88Å; V175-M177 HydrophobicContact CG1-CG 3.63Å; V175-M177 HydrophobicContact CG1-SD 4.07Å; V175-M177 PolarHBondContact O-N 3.44Å
176H73.4Confident91.1Very high81 Ų8151.3 Ų51.338%0.37528%0.281SS..  trans-97.637.8-179.7-53.6-49.9000112.6Y113 P174Y113-H176 AromaticContact CZ-CE1 3.84Å; Y113-H176 AromaticContact CZ-ND1 3.62Å; Y113-H176 PolarHBondContact OH-CE1 3.31Å; Y113-H176 PolarHBondContact OH-ND1 3.44Å; P174-H176 PolarHBondContact O-CE1 2.9Å
177M71.7Confident91.1Very high138 Ų13850.3 Ų50.368%0.6828%0.276SS*.SBendtrans-119.6176.6-179.4-59.9-176.1-147.400110.3V175 I179V175-M177 VanDerWaalsContact C-N 3.35Å; V175-M177 HydrophobicContact CG1-CB 3.83Å; V175-M177 HydrophobicContact CG1-CE 3.88Å; V175-M177 HydrophobicContact CG1-CG 3.63Å; V175-M177 HydrophobicContact CG1-SD 4.07Å; V175-M177 PolarHBondContact O-N 3.44Å; M177-I179 PolarHBondContact O-N 3.35Å
178A70.8Confident91.1Very high109 Ų10951.4 Ų51.490%0.90128%0.281SS*.SBendtrans-71.232.2178.800000114
179I83.8Confident91Very high89 Ų8952.5 Ų52.546%0.45629%0.288SS..  trans-99.6120.4173.2-54.5175.6000107Q173 M177 E181Q173-I179 VanDerWaalsContact NE2-CG2 3.34Å; Q173-I179 PolarHBondContact NE2-O 3.48Å; M177-I179 PolarHBondContact O-N 3.35Å; I179-E181 WeakPolarHBondContact CG2-O 3.37Å
180M86.4Confident90.8Very high55 Ų5560.5 Ų60.527%0.27133%0.325SS..  trans-73.5-39.2-173.8-172.7175.4-6800112.8K60 Y124 L126 V141K60-M180 HydrophobicContact CB-CE 4.31Å; K60-M180 HydrophobicContact CB-SD 4.22Å; K60-M180 HydrophobicContact CD-CE 3.94Å; K60-M180 HydrophobicContact CD-SD 3.67Å; K60-M180 HydrophobicContact CG-SD 4.23Å; Y124-M180 HydrophobicContact CD1-CG 4.32Å; Y124-M180 HydrophobicContact CD2-CG 4.07Å; Y124-M180 HydrophobicContact CE1-CG 4.36Å; Y124-M180 HydrophobicContact CE2-CG 4.15Å; Y124-M180 HydrophobicContact CG-CG 4.18Å; L126-M180 HydrophobicContact CD2-CG 4.44Å; L126-M180 HydrophobicContact CD2-SD 3.8Å; V141-M180 WeakPolarHBondContact CG1-O 3.41Å
181E92.8Very high90.7Very high42 Ų4264.2 Ų64.220%0.19634%0.343CS..  trans-125146.8-170.5-62.3167.3-120.200108.7L126 R139 N171 Q173 I179L126-E181 HydrophobicContact CD1-CG 3.99Å; R139-E181 IonicContact CZ-OE2 3.3Å; R139-E181 IonicContact NH1-OE1 3.72Å; R139-E181 IonicContact NH1-OE2 3.88Å; R139-E181 PolarHBondContact NH1-OE2 2.82Å; R139-E181 IonicContact NH2-OE2 3.78Å; R139-E181 PolarHBondContact NH2-OE2 3.02Å; N171-E181 VanDerWaalsContact OD1-CA 3.31Å; N171-E181 WeakPolarHBondContact OD1-CA 3.27Å; Q173-E181 PolarHBondContact NE2-O 3.43Å; I179-E181 WeakPolarHBondContact CG2-O 3.37Å
182G93Very high90.5Very high10 Ų1068.2 Ų68.210%0.10336%0.361CS..  trans-101.7-178.9169.300000111.5N171 I172N171-G182 PolarHBondContact ND2-O 3.19Å; N171-G182 PolarHBondContact OD1-N 3.41Å; I172-G182 WeakPolarHBondContact O-CA 3.13Å
183E90.4Very high90.4Very high188 Ų18867.4 Ų67.488%0.87936%0.358SS*.SBendtrans-75.4-29.7-170.9-61.5178.317400113.1
184T95.1Very high90.4Very high79 Ų7967.2 Ų67.249%0.48536%0.358SS..EExtended strand (participates in β ladder)trans-87.7120.5-175.8-50.80000111.5N171 I172 I186N171-T184 WeakPolarHBondContact CA-O 3.47Å; I172-T184 HydrophobicContact CG1-CG2 4.38Å; I172-T184 PolarHBondContact N-O 3.36Å; T184-I186 HydrophobicContact CG2-CD1 4.47Å; T184-I186 HydrophobicContact CG2-CG1 4.05Å
185E97Very high90.5Very high31 Ų3165.2 Ų65.215%0.14535%0.347CS..EExtended strand (participates in β ladder)trans-112.9127.4169.6-162.275.7-126.400110.5R139 T169 V170 N171 P207 Q208R139-E185 IonicContact CZ-OE2 3.28Å; R139-E185 IonicContact NE-OE1 3.71Å; R139-E185 IonicContact NE-OE2 3.53Å; R139-E185 IonicContact NH2-OE1 3.73Å; R139-E185 IonicContact NH2-OE2 3.94Å; R139-E185 PolarHBondContact NH2-OE2 3.21Å; T169-E185 WeakPolarHBondContact CB-OE1 3.26Å; T169-E185 HydrophobicContact CG2-CG 4.34Å; T169-E185 PolarHBondContact OG1-OE1 3.01Å; V170-E185 CarbonylContact O-C 3.34Å; N171-E185 PolarHBondContact N-OE1 3.31Å; N171-E185 PolarHBondContact ND2-OE2 3.06Å; E185-P207 HydrophobicContact CG-CB 3.66Å; E185-P207 HydrophobicContact CG-CG 3.98Å; E185-Q208 PolarHBondContact OE2-NE2 3.01Å
186I98Very high90.9Very high38 Ų3862.9 Ų62.920%0.19533%0.333CS..EExtended strand (participates in β ladder)trans-115.3115.4-178.6-54.8175.8000108.4L148 T169 V170 I172 T184 L188L148-I186 HydrophobicContact CD1-CG2 4.33Å; L148-I186 HydrophobicContact CD2-CD1 3.79Å; L148-I186 HydrophobicContact CD2-CG2 4.29Å; T169-I186 CarbonylContact C-O 3.56Å; T169-I186 WeakPolarHBondContact CA-O 3.35Å; T169-I186 WeakPolarHBondContact CB-O 3.4Å; V170-I186 HydrophobicContact CB-CB 4.35Å; V170-I186 PolarHBondContact N-O 3.37Å; V170-I186 PolarHBondContact O-N 3.3Å; I172-I186 HydrophobicContact CD1-CD1 4.37Å; I172-I186 HydrophobicContact CG1-CD1 4.14Å; T184-I186 HydrophobicContact CG2-CD1 4.47Å; T184-I186 HydrophobicContact CG2-CG1 4.05Å; I186-L188 HydrophobicContact CG2-CD2 4.15Å
187Y97.9Very high91.8Very high42 Ų4266 Ų6617%0.16534%0.341CS..EExtended strand (participates in β ladder)trans-74.7136.3174.8-66.9-88.8000111.3R152 V167 T169 Q192 R206 P207R152-Y187 PolarHBondContact NH2-O 3.34Å; R152-Y187 VanDerWaalsContact NH2-O 3.12Å; V167-Y187 HydrophobicContact CG1-CD1 4.4Å; V167-Y187 HydrophobicContact CG1-CE1 4.34Å; T169-Y187 HydrophobicContact CG2-CD1 3.43Å; T169-Y187 VanDerWaalsContact CG2-CD1 3.43Å; T169-Y187 HydrophobicContact CG2-CE1 3.66Å; T169-Y187 HydrophobicContact CG2-CG 4.11Å; Y187-Q192 HydrophobicContact CD1-CB 3.83Å; Y187-Q192 HydrophobicContact CD1-CG 3.67Å; Y187-Q192 HydrophobicContact CD2-CG 4.34Å; Y187-Q192 HydrophobicContact CE1-CB 3.47Å; Y187-Q192 VanDerWaalsContact CE1-CB 3.47Å; Y187-Q192 HydrophobicContact CE1-CG 3.8Å; Y187-Q192 WeakPolarHBondContact CE1-O 3.38Å; Y187-Q192 HydrophobicContact CE2-CG 4.45Å; Y187-Q192 HydrophobicContact CG-CG 3.96Å; Y187-R206 PolarHBondContact OH-NH2 3.26Å; Y187-P207 HydrophobicContact CE1-CG 3.77Å; Y187-P207 VanDerWaalsContact OH-CD 3.26Å; Y187-P207 WeakPolarHBondContact OH-CD 3.4Å
188L97.9Very high92.8Very high23 Ų2359.7 Ų59.712%0.1231%0.31CS..SBendtrans-113.2-4.4176.3-44.6-175.9000112.5L148 L151 R152 L155 I168 V170 I186L148-L188 HydrophobicContact CD1-CD2 3.76Å; L151-L188 HydrophobicContact CD2-CD1 3.96Å; L151-L188 HydrophobicContact CG-CD1 4.11Å; R152-L188 HydrophobicContact CG-CD2 4.22Å; R152-L188 VanDerWaalsContact CZ-CD2 3.47Å; L155-L188 HydrophobicContact CD1-CB 3.56Å; L155-L188 HydrophobicContact CD1-CD1 3.68Å; L155-L188 HydrophobicContact CD1-CG 4.21Å; L155-L188 HydrophobicContact CD2-CD1 4.32Å; L155-L188 HydrophobicContact CG-CD1 4.44Å; I168-L188 HydrophobicContact CB-CB 4.35Å; I168-L188 HydrophobicContact CG2-CB 4.38Å; I168-L188 HydrophobicContact CG2-CD1 3.98Å; I168-L188 HydrophobicContact CG2-CG 4.49Å; I168-L188 WeakPolarHBondContact O-CA 3.35Å; I168-L188 WeakPolarHBondContact O-CB 3.41Å; I168-L188 PolarHBondContact O-N 2.79Å; V170-L188 HydrophobicContact CG2-CD1 3.81Å; V170-L188 HydrophobicContact CG2-CD2 4.43Å; V170-L188 HydrophobicContact CG2-CG 4.42Å; I186-L188 HydrophobicContact CG2-CD2 4.15Å
189T97.1Very high93.9Very high23 Ų2357.1 Ų57.114%0.14128%0.281CS..SBendtrans-124154.4175.149.70000109.6K166 V167 I168 Q191K166-T189 PolarHBondContact O-OG1 3.46Å; V167-T189 WeakPolarHBondContact CA-OG1 3.48Å; I168-T189 HydrophobicContact CB-CG2 3.9Å; I168-T189 HydrophobicContact CD1-CG2 4.33Å; I168-T189 HydrophobicContact CG1-CG2 3.89Å; I168-T189 PolarHBondContact N-OG1 3.24Å; T189-Q191 PolarHBondContact OG1-O 3.45Å
190E95.3Very high94.2Very high168 Ų16859 Ų5979%0.78529%0.292SS*.SBendtrans-65.9-43.5174.6-66.4179.4171.100111.4Q192E190-Q192 WeakPolarHBondContact O-CG 3.41Å; E190-Q192 PolarHBondContact O-N 3.01Å
191Q95.8Very high94.5Very high78 Ų7857.3 Ų57.336%0.36429%0.285SS..  trans-68.2125.8173-173.4172.2-22.500109.8V167 T189 A193V167-Q191 HydrophobicContact CG2-CB 4.47Å; V167-Q191 HydrophobicContact CG2-CG 4Å; T189-Q191 PolarHBondContact OG1-O 3.45Å; Q191-A193 VanDerWaalsContact CG-O 3.3Å; Q191-A193 WeakPolarHBondContact CG-O 3.45Å; Q191-A193 PolarHBondContact NE2-O 3.37Å
192Q94.7Very high94.4Very high84 Ų8457.6 Ų57.639%0.39329%0.291SS..  trans-108.4-8.9-175.3-61.9-171.5-7.900114Y187 E190Y187-Q192 HydrophobicContact CD1-CB 3.83Å; Y187-Q192 HydrophobicContact CD1-CG 3.67Å; Y187-Q192 HydrophobicContact CD2-CG 4.34Å; Y187-Q192 HydrophobicContact CE1-CB 3.47Å; Y187-Q192 VanDerWaalsContact CE1-CB 3.47Å; Y187-Q192 HydrophobicContact CE1-CG 3.8Å; Y187-Q192 WeakPolarHBondContact CE1-O 3.38Å; Y187-Q192 HydrophobicContact CE2-CG 4.45Å; Y187-Q192 HydrophobicContact CG-CG 3.96Å; E190-Q192 WeakPolarHBondContact O-CG 3.41Å; E190-Q192 PolarHBondContact O-N 3.01Å
193A94.9Very high94.5Very high8 Ų857.2 Ų57.27%0.06629%0.286CS..SBendtrans-140.6147.8-179.100000110.8Q191 W204 I205 R206Q191-A193 VanDerWaalsContact CG-O 3.3Å; Q191-A193 WeakPolarHBondContact CG-O 3.45Å; Q191-A193 PolarHBondContact NE2-O 3.37Å; A193-W204 HydrophobicContact CB-CB 4.36Å; A193-W204 HydrophobicContact CB-CE3 4.11Å; A193-I205 CarbonylContact C-O 3.49Å; A193-I205 WeakPolarHBondContact CA-O 3.49Å; A193-R206 HydrophobicContact CB-CG 3.73Å
194L94.7Very high94.6Very high1 Ų151.7 Ų51.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-86.7134.9164.7-61.8177.2000109.3M137 K166 V167 W204 I205M137-L194 HydrophobicContact CB-CD1 3.6Å; M137-L194 HydrophobicContact CB-CD2 4.42Å; M137-L194 HydrophobicContact CB-CG 3.91Å; M137-L194 HydrophobicContact CE-CG 4.19Å; K166-L194 HydrophobicContact CB-CD2 3.93Å; V167-L194 HydrophobicContact CG2-CD2 3.92Å; V167-L194 HydrophobicContact CG2-CG 4.29Å; L194-W204 CarbonylContact O-C 3.37Å; L194-W204 WeakPolarHBondContact O-CA 3.46Å; L194-I205 HydrophobicContact CB-CB 4.25Å; L194-I205 PolarHBondContact N-O 2.94Å; L194-I205 PolarHBondContact O-N 2.95Å
195A93.7Very high94.5Very high31 Ų3148 Ų4826%0.25623%0.234SC..EExtended strand (participates in β ladder)trans-73.8138.6164.700000108.9S130 W204S130-A195 VanDerWaalsContact CB-O 3.27Å; S130-A195 WeakPolarHBondContact CB-O 3.37Å; S130-A195 PolarHBondContact OG-O 3.47Å; A195-W204 HydrophobicContact CB-CE3 4.04Å; A195-W204 HydrophobicContact CB-CH2 4.06Å; A195-W204 HydrophobicContact CB-CZ3 3.64Å
196E93.8Very high94.3Very high3 Ų348.3 Ų48.31%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-134.5158.2170.3-175.357.8-76.700108.7S130 Q131 S132 F198 P202 L203 I205 F211S130-E196 WeakPolarHBondContact CA-OE2 3.47Å; Q131-E196 PolarHBondContact N-OE2 2.8Å; S132-E196 VanDerWaalsContact CB-OE1 3.29Å; S132-E196 WeakPolarHBondContact CB-OE1 3.42Å; S132-E196 PolarHBondContact N-OE1 3.08Å; E196-F198 HydrophobicContact CG-CE2 4.08Å; E196-F198 HydrophobicContact CG-CZ 4.04Å; E196-P202 WeakPolarHBondContact O-CA 3.44Å; E196-L203 PolarHBondContact N-O 2.93Å; E196-L203 PolarHBondContact O-N 3.16Å; E196-L203 VanDerWaalsContact O-O 3.08Å; E196-I205 HydrophobicContact CB-CD1 4.06Å; E196-I205 HydrophobicContact CB-CG1 4.31Å; E196-I205 HydrophobicContact CG-CD1 4.46Å; E196-F211 HydrophobicContact CB-CZ 3.98Å; E196-F211 HydrophobicContact CG-CE1 3.88Å; E196-F211 HydrophobicContact CG-CZ 3.59Å
197R93.4Very high94.1Very high145 Ų14546.5 Ų46.555%0.54723%0.225SC..EExtended strand (participates in β ladder)trans-141.5121.7178.3-170169.761.8158.1-2.4111.3D200 V201R197-D200 IonicContact NH1-OD1 3.64Å; R197-V201 WeakPolarHBondContact CA-O 3.42Å
198F92.4Very high93.6Very high7 Ų748.1 Ų48.13%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-117.2127.5171.2-67.3-55000109.4E196 D200 V201 L203 F211 P215 A218 Y222 H250E196-F198 HydrophobicContact CG-CE2 4.08Å; E196-F198 HydrophobicContact CG-CZ 4.04Å; F198-D200 PolarHBondContact O-N 2.83Å; F198-D200 VanDerWaalsContact O-N 3.1Å; F198-V201 PolarHBondContact N-O 3.19Å; F198-V201 VanDerWaalsContact N-O 3.13Å; F198-V201 WeakPolarHBondContact O-CA 3.3Å; F198-V201 VanDerWaalsContact O-CB 3.31Å; F198-V201 WeakPolarHBondContact O-CB 3.48Å; F198-V201 PolarHBondContact O-N 2.84Å; F198-L203 HydrophobicContact CD2-CD1 3.59Å; F198-L203 HydrophobicContact CE2-CD1 4.09Å; F198-F211 HydrophobicContact CD2-CZ 4.21Å; F198-F211 AromaticContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE2 4.26Å; F198-F211 AromaticContact CE2-CZ 3.27Å; F198-F211 HydrophobicContact CE2-CZ 3.27Å; F198-F211 AromaticContact CZ-CE1 3.73Å; F198-F211 HydrophobicContact CZ-CE1 3.73Å; F198-F211 AromaticContact CZ-CZ 3.89Å; F198-F211 HydrophobicContact CZ-CZ 3.89Å; F198-P215 HydrophobicContact CE1-CB 3.61Å; F198-P215 VanDerWaalsContact CE1-O 3.29Å; F198-P215 WeakPolarHBondContact CE1-O 3.42Å; F198-P215 HydrophobicContact CZ-CB 3.82Å; F198-A218 HydrophobicContact CE2-CB 4.43Å; F198-A218 HydrophobicContact CZ-CB 4.24Å; F198-Y222 HydrophobicContact CB-CD2 4.28Å; F198-Y222 AromaticContact CD2-CD2 3.94Å; F198-Y222 HydrophobicContact CD2-CD2 3.94Å; F198-Y222 AromaticContact CD2-CE2 3.69Å; F198-Y222 HydrophobicContact CD2-CE2 3.69Å; F198-Y222 AromaticContact CE2-CE2 3.99Å; F198-Y222 HydrophobicContact CE2-CE2 3.99Å; F198-Y222 HydrophobicContact CG-CD2 4.27Å; F198-Y222 HydrophobicContact CG-CE2 4.43Å; F198-H250 WeakPolarHBondContact CB-NE2 3.3Å; F198-H250 PolarHBondContact O-NE2 3.23Å
199N93.1Very high93Very high54 Ų5447.2 Ų47.229%0.28923%0.23SC..THydrogen-bonded Turntrans47.643.8176.3-44.4-63.9000113.3V201 S219 H250N199-V201 PolarHBondContact O-N 2.87Å; N199-S219 VanDerWaalsContact CG-OG 3.32Å; N199-S219 PolarHBondContact ND2-O 3.34Å; N199-S219 PolarHBondContact ND2-OG 2.79Å; N199-S219 PolarHBondContact OD1-OG 3.1Å; N199-H250 PolarHBondContact ND2-CD2 2.83Å; N199-H250 VanDerWaalsContact ND2-CD2 3.29Å; N199-H250 PolarHBondContact ND2-NE2 3.18Å
200D89.9Confident92.3Very high129 Ų12952.6 Ų52.669%0.6925%0.252SS*.THydrogen-bonded Turntrans65.44.5-175-57.3-55.6000117.1R197 F198 P202R197-D200 IonicContact NH1-OD1 3.64Å; F198-D200 PolarHBondContact O-N 2.83Å; F198-D200 VanDerWaalsContact O-N 3.1Å; D200-P202 WeakPolarHBondContact O-CD 3.5Å
201V92.8Very high91.8Very high20 Ų2044.8 Ų44.812%0.12122%0.215CC..EExtended strand (participates in β ladder)trans-88.9114.2173.1-1760000109.4R197 F198 N199 L203 L249R197-V201 WeakPolarHBondContact CA-O 3.42Å; F198-V201 PolarHBondContact N-O 3.19Å; F198-V201 VanDerWaalsContact N-O 3.13Å; F198-V201 WeakPolarHBondContact O-CA 3.3Å; F198-V201 VanDerWaalsContact O-CB 3.31Å; F198-V201 WeakPolarHBondContact O-CB 3.48Å; F198-V201 PolarHBondContact O-N 2.84Å; N199-V201 PolarHBondContact O-N 2.87Å; V201-L203 HydrophobicContact CG1-CD2 4.3Å; V201-L249 HydrophobicContact CG1-CB 3.77Å
202P92.3Very high91.5Very high48 Ų4844 Ų4431%0.31221%0.212SC..EExtended strand (participates in β ladder)trans-73.7129.2175.929.4-32.9000110.3E196 D200 H274E196-P202 WeakPolarHBondContact O-CA 3.44Å; D200-P202 WeakPolarHBondContact O-CD 3.5Å; P202-H274 PolarHBondContact O-ND1 3.29Å
203L93.7Very high91.3Very high2 Ų241.8 Ų41.81%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-121.7159.7173.7-61.3-179.1000109.9E196 F198 V201 F211 V244 L249E196-L203 PolarHBondContact N-O 2.93Å; E196-L203 PolarHBondContact O-N 3.16Å; E196-L203 VanDerWaalsContact O-O 3.08Å; F198-L203 HydrophobicContact CD2-CD1 3.59Å; F198-L203 HydrophobicContact CE2-CD1 4.09Å; V201-L203 HydrophobicContact CG1-CD2 4.3Å; L203-F211 HydrophobicContact CB-CE2 4.19Å; L203-F211 HydrophobicContact CD1-CE2 3.9Å; L203-F211 HydrophobicContact CD1-CZ 4.13Å; L203-V244 HydrophobicContact CD1-CG2 4.4Å; L203-L249 HydrophobicContact CD2-CD1 3.63Å
204W93.2Very high91.3Very high71 Ų7142.7 Ų42.727%0.26921%0.208SC..EExtended strand (participates in β ladder)trans-124.1136.7178.8-60.193.7000110A193 L194 A195 C270 L273A193-W204 HydrophobicContact CB-CB 4.36Å; A193-W204 HydrophobicContact CB-CE3 4.11Å; L194-W204 CarbonylContact O-C 3.37Å; L194-W204 WeakPolarHBondContact O-CA 3.46Å; A195-W204 HydrophobicContact CB-CE3 4.04Å; A195-W204 HydrophobicContact CB-CH2 4.06Å; A195-W204 HydrophobicContact CB-CZ3 3.64Å; W204-C270 HydrophobicContact CB-CB 4.27Å; W204-C270 VanDerWaalsContact O-CB 3.3Å; W204-C270 WeakPolarHBondContact O-CB 3.29Å; W204-C270 PolarHBondContact O-SG 2.73Å; W204-L273 HydrophobicContact CB-CD1 3.98Å; W204-L273 HydrophobicContact CD2-CD1 4.26Å; W204-L273 HydrophobicContact CG-CB 4.1Å; W204-L273 HydrophobicContact CG-CD1 3.85Å
205I92.3Very high91.3Very high1 Ų143.1 Ų43.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-111.4116.8178.6-48.2174.7000107.7M137 A193 L194 E196 F211M137-I205 WeakPolarHBondContact CE-O 3.26Å; A193-I205 CarbonylContact C-O 3.49Å; A193-I205 WeakPolarHBondContact CA-O 3.49Å; L194-I205 HydrophobicContact CB-CB 4.25Å; L194-I205 PolarHBondContact N-O 2.94Å; L194-I205 PolarHBondContact O-N 2.95Å; E196-I205 HydrophobicContact CB-CD1 4.06Å; E196-I205 HydrophobicContact CB-CG1 4.31Å; E196-I205 HydrophobicContact CG-CD1 4.46Å; I205-F211 HydrophobicContact CD1-CD1 3.69Å; I205-F211 HydrophobicContact CD1-CD2 4.28Å; I205-F211 HydrophobicContact CD1-CE1 3.66Å; I205-F211 HydrophobicContact CD1-CE2 4.26Å; I205-F211 HydrophobicContact CD1-CG 3.99Å; I205-F211 HydrophobicContact CD1-CZ 3.93Å; I205-F211 HydrophobicContact CG1-CD1 4.17Å; I205-F211 HydrophobicContact CG1-CD2 3.83Å; I205-F211 HydrophobicContact CG1-CE1 4.18Å; I205-F211 HydrophobicContact CG1-CE2 3.85Å; I205-F211 HydrophobicContact CG1-CG 3.97Å; I205-F211 HydrophobicContact CG1-CZ 4.01Å; I205-F211 HydrophobicContact CG2-CB 4.38Å
206R94Very high91.3Very high38 Ų3843.8 Ų43.814%0.14322%0.216CC..  trans-107.4160.6173.3-72.6175.968.494.91.2109.9Y187 A193 S209 E266 C270Y187-R206 PolarHBondContact OH-NH2 3.26Å; A193-R206 HydrophobicContact CB-CG 3.73Å; R206-S209 PolarHBondContact N-OG 3.21Å; R206-S209 PolarHBondContact O-N 3.29Å; R206-S209 PolarHBondContact O-OG 3.26Å; R206-E266 IonicContact CZ-OE2 2.66Å; R206-E266 IonicContact NE-OE2 3.96Å; R206-E266 PolarHBondContact NE-OE2 3.11Å; R206-E266 IonicContact NH2-OE2 2.7Å; R206-E266 PolarHBondContact NH2-OE2 2.85Å; R206-C270 VanDerWaalsContact CB-SG 3.52Å; R206-C270 VanDerWaalsContact CD-SG 3.52Å; R206-C270 WeakPolarHBondContact CG-SG 3.37Å
207P92.3Very high91.3Very high1 Ų145 Ų451%0.00622%0.224CC..THydrogen-bonded Turntrans-47145.8165.3-27.235.2000111.7M137 T169 E185 Y187 S209M137-P207 HydrophobicContact CE-CG 4.43Å; M137-P207 HydrophobicContact SD-CG 4.04Å; T169-P207 HydrophobicContact CG2-CG 3.71Å; E185-P207 HydrophobicContact CG-CB 3.66Å; E185-P207 HydrophobicContact CG-CG 3.98Å; Y187-P207 HydrophobicContact CE1-CG 3.77Å; Y187-P207 VanDerWaalsContact OH-CD 3.26Å; Y187-P207 WeakPolarHBondContact OH-CD 3.4Å; P207-S209 PolarHBondContact O-N 3.34Å
208Q88.4Confident91.4Very high76 Ų7638.2 Ų38.236%0.35520%0.198SC..THydrogen-bonded Turntrans61.7-8.6179.1-50.8179.846.600116.1N171 E185 E266N171-Q208 PolarHBondContact ND2-NE2 3.21Å; E185-Q208 PolarHBondContact OE2-NE2 3.01Å; Q208-E266 HydrophobicContact CB-CG 4.45Å
209S84.5Confident91.6Very high4 Ų439.1 Ų39.13%0.02821%0.205CC..  trans-75136.8173.680.70000111.1R206 P207R206-S209 PolarHBondContact N-OG 3.21Å; R206-S209 PolarHBondContact O-N 3.29Å; R206-S209 PolarHBondContact O-OG 3.26Å; P207-S209 PolarHBondContact O-N 3.34Å
210F83.1Confident91.7Very high136 Ų13640.6 Ų40.660%0.59621%0.211SC*.  trans-70.3133.6173.4176.5-97.8000109.6
211F85.6Confident92Very high4 Ų437.8 Ų37.82%0.01820%0.195CC..  trans-146144.2175.3-155.7-100.7000109E196 F198 L203 I205 T213 V244E196-F211 HydrophobicContact CB-CZ 3.98Å; E196-F211 HydrophobicContact CG-CE1 3.88Å; E196-F211 HydrophobicContact CG-CZ 3.59Å; F198-F211 HydrophobicContact CD2-CZ 4.21Å; F198-F211 AromaticContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE1 3.58Å; F198-F211 HydrophobicContact CE2-CE2 4.26Å; F198-F211 AromaticContact CE2-CZ 3.27Å; F198-F211 HydrophobicContact CE2-CZ 3.27Å; F198-F211 AromaticContact CZ-CE1 3.73Å; F198-F211 HydrophobicContact CZ-CE1 3.73Å; F198-F211 AromaticContact CZ-CZ 3.89Å; F198-F211 HydrophobicContact CZ-CZ 3.89Å; L203-F211 HydrophobicContact CB-CE2 4.19Å; L203-F211 HydrophobicContact CD1-CE2 3.9Å; L203-F211 HydrophobicContact CD1-CZ 4.13Å; I205-F211 HydrophobicContact CD1-CD1 3.69Å; I205-F211 HydrophobicContact CD1-CD2 4.28Å; I205-F211 HydrophobicContact CD1-CE1 3.66Å; I205-F211 HydrophobicContact CD1-CE2 4.26Å; I205-F211 HydrophobicContact CD1-CG 3.99Å; I205-F211 HydrophobicContact CD1-CZ 3.93Å; I205-F211 HydrophobicContact CG1-CD1 4.17Å; I205-F211 HydrophobicContact CG1-CD2 3.83Å; I205-F211 HydrophobicContact CG1-CE1 4.18Å; I205-F211 HydrophobicContact CG1-CE2 3.85Å; I205-F211 HydrophobicContact CG1-CG 3.97Å; I205-F211 HydrophobicContact CG1-CZ 4.01Å; I205-F211 HydrophobicContact CG2-CB 4.38Å; F211-T213 PolarHBondContact O-N 2.99Å; F211-V244 HydrophobicContact CD2-CG1 4.47Å; F211-V244 HydrophobicContact CD2-CG2 3.68Å; F211-V244 HydrophobicContact CE2-CG2 3.74Å
212Q88.6Confident92.1Very high62 Ų6237.4 Ų37.429%0.2919%0.192SC..  trans-63.4128.6-177-66.1-63.5-1900110.4N57 N214 A218 Y222N57-Q212 PolarHBondContact OD1-O 3.25Å; Q212-N214 VanDerWaalsContact C-N 3.27Å; Q212-N214 PolarHBondContact O-N 2.91Å; Q212-A218 HydrophobicContact CB-CB 3.48Å; Q212-A218 VanDerWaalsContact CB-CB 3.48Å; Q212-A218 HydrophobicContact CG-CB 3.7Å; Q212-Y222 WeakPolarHBondContact CG-OH 3.45Å
213T90.9Very high92.3Very high37 Ų3735.9 Ų35.923%0.22718%0.183CC..SBendtrans-77.9-15-177.959.40000113.3R56 N57 K58 F211 P215R56-T213 CarbonylContact C-O 3.46Å; R56-T213 VanDerWaalsContact CA-O 3.24Å; R56-T213 WeakPolarHBondContact CA-O 3.19Å; R56-T213 PolarHBondContact NH1-OG1 3.42Å; N57-T213 PolarHBondContact N-O 2.77Å; N57-T213 WeakPolarHBondContact OD1-CA 3.28Å; N57-T213 PolarHBondContact OD1-O 3.25Å; K58-T213 HydrophobicContact CB-CG2 4.09Å; F211-T213 PolarHBondContact O-N 2.99Å; T213-P215 WeakPolarHBondContact O-CD 3.48Å
214N94.8Very high92.4Very high27 Ų2737.9 Ų37.914%0.14420%0.195CC..  trans-114.290.5174.8-172.9-30.6000108.7F55 Q212 A216 V217 A218F55-N214 HydrophobicContact CD2-CB 3.92Å; F55-N214 WeakPolarHBondContact CD2-ND2 3.3Å; F55-N214 WeakPolarHBondContact O-CA 3.29Å; Q212-N214 VanDerWaalsContact C-N 3.27Å; Q212-N214 PolarHBondContact O-N 2.91Å; N214-A216 VanDerWaalsContact C-N 3.27Å; N214-A216 PolarHBondContact O-N 2.88Å; N214-A216 PolarHBondContact OD1-N 3.23Å; N214-V217 HydrophobicContact CB-CB 4.18Å; N214-V217 HydrophobicContact CB-CG2 4.39Å; N214-V217 WeakPolarHBondContact ND2-CG2 3.39Å; N214-V217 PolarHBondContact O-N 3.34Å; N214-V217 PolarHBondContact OD1-N 2.94Å; N214-V217 VanDerWaalsContact OD1-N 3.07Å; N214-A218 WeakPolarHBondContact O-CB 3.41Å; N214-A218 PolarHBondContact O-N 3.11Å
215P93.5Very high92.5Very high9 Ų935.4 Ų35.46%0.05819%0.19CC..Hα-helixtrans-58-37.1-176.9-28.238000113.2F55 N57 Q131 F198 T213 A218 S219F55-P215 WeakPolarHBondContact O-CD 3.35Å; N57-P215 HydrophobicContact CB-CG 3.81Å; Q131-P215 HydrophobicContact CG-CB 3.68Å; Q131-P215 HydrophobicContact CG-CG 3.63Å; F198-P215 HydrophobicContact CE1-CB 3.61Å; F198-P215 VanDerWaalsContact CE1-O 3.29Å; F198-P215 WeakPolarHBondContact CE1-O 3.42Å; F198-P215 HydrophobicContact CZ-CB 3.82Å; T213-P215 WeakPolarHBondContact O-CD 3.48Å; P215-A218 PolarHBondContact O-N 3.31Å; P215-S219 WeakPolarHBondContact O-CB 3.15Å; P215-S219 PolarHBondContact O-N 3.02Å
216A93.7Very high92.7Very high45 Ų4537.3 Ų37.337%0.37220%0.197SC..Hα-helixtrans-65.6-41.8-18000000112.5N214 Q220N214-A216 VanDerWaalsContact C-N 3.27Å; N214-A216 PolarHBondContact O-N 2.88Å; N214-A216 PolarHBondContact OD1-N 3.23Å; A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.08Å; A216-Q220 PolarHBondContact O-NE2 2.85Å
217V95.5Very high92.8Very high30 Ų3038.7 Ų38.718%0.18221%0.207CC..Hα-helixtrans-71.1-42.3174.9171.90000110.4V48 N214 S219 Q220 L221V48-V217 HydrophobicContact CG1-CG1 4.12Å; N214-V217 HydrophobicContact CB-CB 4.18Å; N214-V217 HydrophobicContact CB-CG2 4.39Å; N214-V217 WeakPolarHBondContact ND2-CG2 3.39Å; N214-V217 PolarHBondContact O-N 3.34Å; N214-V217 PolarHBondContact OD1-N 2.94Å; N214-V217 VanDerWaalsContact OD1-N 3.07Å; V217-S219 PolarHBondContact O-N 3.03Å; V217-Q220 PolarHBondContact O-N 3.19Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.14Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.5Å
218A95Very high92.9Very high2 Ų245.7 Ų45.72%0.01723%0.234CC..Hα-helixtrans-57.2-47.8178.100000112F198 Q212 N214 P215 Q220 L221 Y222F198-A218 HydrophobicContact CE2-CB 4.43Å; F198-A218 HydrophobicContact CZ-CB 4.24Å; Q212-A218 HydrophobicContact CB-CB 3.48Å; Q212-A218 VanDerWaalsContact CB-CB 3.48Å; Q212-A218 HydrophobicContact CG-CB 3.7Å; N214-A218 WeakPolarHBondContact O-CB 3.41Å; N214-A218 PolarHBondContact O-N 3.11Å; P215-A218 PolarHBondContact O-N 3.31Å; A218-Q220 VanDerWaalsContact C-N 3.3Å; A218-Q220 PolarHBondContact O-N 3.13Å; A218-L221 PolarHBondContact O-N 3.4Å; A218-Y222 HydrophobicContact CB-CD2 4.46Å; A218-Y222 HydrophobicContact CB-CE2 3.93Å; A218-Y222 WeakPolarHBondContact O-CD2 3.31Å; A218-Y222 PolarHBondContact O-N 3.35Å
219S95.6Very high93.2Very high26 Ų2643.3 Ų43.318%0.18222%0.224CC..Hα-helixtrans-57-43.6177.9-160.20000111.9N199 P215 V217 A223N199-S219 VanDerWaalsContact CG-OG 3.32Å; N199-S219 PolarHBondContact ND2-O 3.34Å; N199-S219 PolarHBondContact ND2-OG 2.79Å; N199-S219 PolarHBondContact OD1-OG 3.1Å; P215-S219 WeakPolarHBondContact O-CB 3.15Å; P215-S219 PolarHBondContact O-N 3.02Å; V217-S219 PolarHBondContact O-N 3.03Å; S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.17Å
220Q96.4Very high93.7Very high85 Ų8550.9 Ų50.940%0.39725%0.252SS..Hα-helixtrans-66.2-46.2178.1-72.7174.380.500111.6V48 S49 A216 V217 A218 Y222 A223 T224V48-Q220 HydrophobicContact CG1-CB 3.61Å; V48-Q220 HydrophobicContact CG1-CG 4.34Å; S49-Q220 PolarHBondContact O-NE2 3.29Å; A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.08Å; A216-Q220 PolarHBondContact O-NE2 2.85Å; V217-Q220 PolarHBondContact O-N 3.19Å; A218-Q220 VanDerWaalsContact C-N 3.3Å; A218-Q220 PolarHBondContact O-N 3.13Å; Q220-Y222 VanDerWaalsContact C-N 3.33Å; Q220-Y222 PolarHBondContact O-N 3.01Å; Q220-A223 PolarHBondContact O-N 3.21Å; Q220-T224 PolarHBondContact O-N 3.05Å; Q220-T224 PolarHBondContact O-OG1 3.05Å
221L95.7Very high94.3Very high70 Ų7051.8 Ų51.837%0.36626%0.258SS..Hα-helixtrans-60.4-42.5177.9-67.9175.6000112V48 V217 A218 T224 A225 F247V48-L221 HydrophobicContact CB-CD2 4.31Å; V48-L221 HydrophobicContact CG2-CD2 4.29Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.14Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.5Å; A218-L221 PolarHBondContact O-N 3.4Å; L221-T224 PolarHBondContact O-N 3.47Å; L221-A225 PolarHBondContact O-N 3.29Å; L221-F247 HydrophobicContact CB-CE1 4.38Å; L221-F247 HydrophobicContact CB-CZ 4.42Å
222Y95.9Very high94.7Very high12 Ų1256.8 Ų56.85%0.04728%0.284CS..Hα-helixtrans-65.9-40.4176.7-60.2-33.4000112.3F198 Q212 A218 Q220 A225 R226 F247 H250F198-Y222 HydrophobicContact CB-CD2 4.28Å; F198-Y222 AromaticContact CD2-CD2 3.94Å; F198-Y222 HydrophobicContact CD2-CD2 3.94Å; F198-Y222 AromaticContact CD2-CE2 3.69Å; F198-Y222 HydrophobicContact CD2-CE2 3.69Å; F198-Y222 AromaticContact CE2-CE2 3.99Å; F198-Y222 HydrophobicContact CE2-CE2 3.99Å; F198-Y222 HydrophobicContact CG-CD2 4.27Å; F198-Y222 HydrophobicContact CG-CE2 4.43Å; Q212-Y222 WeakPolarHBondContact CG-OH 3.45Å; A218-Y222 HydrophobicContact CB-CD2 4.46Å; A218-Y222 HydrophobicContact CB-CE2 3.93Å; A218-Y222 WeakPolarHBondContact O-CD2 3.31Å; A218-Y222 PolarHBondContact O-N 3.35Å; Q220-Y222 VanDerWaalsContact C-N 3.33Å; Q220-Y222 PolarHBondContact O-N 3.01Å; Y222-A225 PolarHBondContact O-N 3.22Å; Y222-R226 WeakPolarHBondContact O-CB 3.43Å; Y222-R226 PolarHBondContact O-N 3.46Å; Y222-R226 VanDerWaalsContact O-N 3.07Å; Y222-F247 AromaticContact CD1-CD1 3.59Å; Y222-F247 HydrophobicContact CD1-CD1 3.59Å; Y222-F247 HydrophobicContact CD1-CD2 4.21Å; Y222-F247 AromaticContact CD1-CE1 3.6Å; Y222-F247 HydrophobicContact CD1-CE1 3.6Å; Y222-F247 HydrophobicContact CD1-CE2 4.22Å; Y222-F247 AromaticContact CD1-CG 3.9Å; Y222-F247 HydrophobicContact CD1-CG 3.9Å; Y222-F247 AromaticContact CD1-CZ 3.92Å; Y222-F247 HydrophobicContact CD1-CZ 3.92Å; Y222-F247 HydrophobicContact CE1-CD1 4.1Å; Y222-F247 AromaticContact CE1-CD2 3.86Å; Y222-F247 HydrophobicContact CE1-CD2 3.86Å; Y222-F247 HydrophobicContact CE1-CE1 4.03Å; Y222-F247 AromaticContact CE1-CE2 3.79Å; Y222-F247 HydrophobicContact CE1-CE2 3.79Å; Y222-F247 HydrophobicContact CE1-CG 4.01Å; Y222-F247 AromaticContact CE1-CZ 3.87Å; Y222-F247 HydrophobicContact CE1-CZ 3.87Å; Y222-H250 VanDerWaalsContact CB-CD2 3.5Å; Y222-H250 WeakPolarHBondContact CB-CD2 3.49Å; Y222-H250 AromaticContact CD2-CE1 3.53Å; Y222-H250 AromaticContact CD2-NE2 3.91Å; Y222-H250 AromaticContact CG-CE1 3.86Å; Y222-H250 AromaticContact CG-ND1 3.96Å
223A96.2Very high94.9Very high15 Ų1560 Ų6012%0.12431%0.31CS..Hα-helixtrans-63.1-45.317500000111.7S219 Q220 A225 R226 D227S219-A223 WeakPolarHBondContact O-CB 3.35Å; S219-A223 PolarHBondContact O-N 3.17Å; Q220-A223 PolarHBondContact O-N 3.21Å; A223-A225 PolarHBondContact O-N 3.12Å; A223-R226 WeakPolarHBondContact O-CB 3.37Å; A223-R226 PolarHBondContact O-N 3.39Å; A223-D227 WeakPolarHBondContact O-CB 3.47Å; A223-D227 PolarHBondContact O-N 3.41Å
224T95.8Very high95.1Very high45 Ų4560.1 Ų60.128%0.27631%0.311SS..Hα-helixtrans-58.8-47.1177-59.40000111.8Q220 L221 R226 D227 W228Q220-T224 PolarHBondContact O-N 3.05Å; Q220-T224 PolarHBondContact O-OG1 3.05Å; L221-T224 PolarHBondContact O-N 3.47Å; T224-R226 PolarHBondContact O-N 2.91Å; T224-D227 PolarHBondContact O-N 3.46Å; T224-W228 HydrophobicContact CG2-CD2 4Å; T224-W228 VanDerWaalsContact CG2-CE2 3.5Å; T224-W228 HydrophobicContact CG2-CE3 4.36Å; T224-W228 HydrophobicContact CG2-CH2 3.87Å; T224-W228 HydrophobicContact CG2-CZ2 3.44Å; T224-W228 VanDerWaalsContact CG2-CZ2 3.44Å; T224-W228 HydrophobicContact CG2-CZ3 4.3Å; T224-W228 PolarHBondContact O-N 3.22Å
225A95.3Very high95.1Very high18 Ų1864.4 Ų64.415%0.14933%0.329CS..Hα-helixtrans-60.6-44.917800000112L221 Y222 A223 D227 W228 V229 F247L221-A225 PolarHBondContact O-N 3.29Å; Y222-A225 PolarHBondContact O-N 3.22Å; A223-A225 PolarHBondContact O-N 3.12Å; A225-D227 VanDerWaalsContact C-N 3.33Å; A225-D227 PolarHBondContact O-N 3.29Å; A225-W228 PolarHBondContact O-N 2.68Å; A225-V229 VanDerWaalsContact O-CG2 3.27Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.29Å; A225-F247 HydrophobicContact CB-CD1 3.64Å; A225-F247 HydrophobicContact CB-CE1 4Å
226R96.1Very high95.2Very high41 Ų4170 Ų7016%0.15535%0.354CS..Hα-helixtrans-58.5-45.6174.6173.7-168.373.9-150.5-7.1111.8Y222 A223 T224 W228 V229 R230 H250Y222-R226 WeakPolarHBondContact O-CB 3.43Å; Y222-R226 PolarHBondContact O-N 3.46Å; Y222-R226 VanDerWaalsContact O-N 3.07Å; A223-R226 WeakPolarHBondContact O-CB 3.37Å; A223-R226 PolarHBondContact O-N 3.39Å; T224-R226 PolarHBondContact O-N 2.91Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 3.07Å; R226-V229 PolarHBondContact O-N 3.39Å; R226-R230 HydrophobicContact CG-CG 4.42Å; R226-R230 WeakPolarHBondContact O-CB 3.34Å; R226-R230 WeakPolarHBondContact O-CG 3.36Å; R226-R230 PolarHBondContact O-N 2.9Å; R226-H250 HydrophobicContact CB-CB 4.38Å; R226-H250 WeakPolarHBondContact CB-O 3.5Å; R226-H250 WeakPolarHBondContact CD-O 3.42Å; R226-H250 WeakPolarHBondContact CG-O 3.47Å
227D95.8Very high95.3Very high68 Ų6869.4 Ų69.436%0.36434%0.343SS..Hα-helixtrans-68.7-32.4-175.5-64-12.8000111.6A223 T224 A225 R230 Q231A223-D227 WeakPolarHBondContact O-CB 3.47Å; A223-D227 PolarHBondContact O-N 3.41Å; T224-D227 PolarHBondContact O-N 3.46Å; A225-D227 VanDerWaalsContact C-N 3.33Å; A225-D227 PolarHBondContact O-N 3.29Å; D227-R230 IonicContact OD1-NH1 2.62Å; D227-Q231 WeakPolarHBondContact O-CG 3.42Å; D227-Q231 PolarHBondContact O-NE2 2.83Å
228W94.7Very high95.3Very high148 Ų14876.4 Ų76.456%0.56137%0.367SS*.Hα-helixtrans-66.7-47.4168.9-66.2-19.7000112.3T224 A225 R226 R230 Q231T224-W228 HydrophobicContact CG2-CD2 4Å; T224-W228 VanDerWaalsContact CG2-CE2 3.5Å; T224-W228 HydrophobicContact CG2-CE3 4.36Å; T224-W228 HydrophobicContact CG2-CH2 3.87Å; T224-W228 HydrophobicContact CG2-CZ2 3.44Å; T224-W228 VanDerWaalsContact CG2-CZ2 3.44Å; T224-W228 HydrophobicContact CG2-CZ3 4.3Å; T224-W228 PolarHBondContact O-N 3.22Å; A225-W228 PolarHBondContact O-N 2.68Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 3.07Å; W228-R230 VanDerWaalsContact C-N 3.29Å; W228-R230 PolarHBondContact O-N 3.4Å; W228-Q231 WeakPolarHBondContact O-CB 3.3Å; W228-Q231 PolarHBondContact O-N 3.36Å; W228-Q231 VanDerWaalsContact O-N 3.14Å
229V95.2Very high95.3Very high25 Ų2577.2 Ų77.215%0.15237%0.371CS..Hα-helixtrans-63.4-35.9-178.8169.10000111.7A225 R226 Q231 L232 V234 M237 C251 M256A225-V229 VanDerWaalsContact O-CG2 3.27Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.29Å; R226-V229 PolarHBondContact O-N 3.39Å; V229-Q231 PolarHBondContact O-N 2.97Å; V229-Q231 VanDerWaalsContact O-N 3.15Å; V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.49Å; V229-V234 HydrophobicContact CG1-CB 4.48Å; V229-V234 HydrophobicContact CG1-CG2 4.31Å; V229-M237 HydrophobicContact CB-CE 4.24Å; V229-M237 HydrophobicContact CG1-CE 3.52Å; V229-M237 HydrophobicContact CG2-CE 3.67Å; V229-C251 HydrophobicContact CB-CB 4.34Å; V229-C251 HydrophobicContact CG1-CB 4.16Å; V229-C251 HydrophobicContact CG2-CB 4.29Å; V229-M256 HydrophobicContact CG1-CE 3.97Å
230R94.7Very high95.3Very high164 Ų16480.5 Ų80.562%0.61939%0.386SS*.THydrogen-bonded Turntrans-61.4-19.7177.1-80.5174.7172.5172.8-5.5114.1R226 D227 W228R226-R230 HydrophobicContact CG-CG 4.42Å; R226-R230 WeakPolarHBondContact O-CB 3.34Å; R226-R230 WeakPolarHBondContact O-CG 3.36Å; R226-R230 PolarHBondContact O-N 2.9Å; D227-R230 IonicContact OD1-NH1 2.62Å; W228-R230 VanDerWaalsContact C-N 3.29Å; W228-R230 PolarHBondContact O-N 3.4Å
231Q94.6Very high95Very high155 Ų15585 Ų8572%0.72440%0.404SS*.THydrogen-bonded Turntrans-82.1-6176.4-60.9173.231.100112.6D227 W228 V229D227-Q231 WeakPolarHBondContact O-CG 3.42Å; D227-Q231 PolarHBondContact O-NE2 2.83Å; W228-Q231 WeakPolarHBondContact O-CB 3.3Å; W228-Q231 PolarHBondContact O-N 3.36Å; W228-Q231 VanDerWaalsContact O-N 3.14Å; V229-Q231 PolarHBondContact O-N 2.97Å; V229-Q231 VanDerWaalsContact O-N 3.15Å
232L94.3Very high94.7Very high108 Ų10882.4 Ų82.457%0.56539%0.392SS*.SBendtrans-116.2143.6-173.8-58.6175.7000110.3V229 V234V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.49Å; L232-V234 HydrophobicContact CB-CG2 3.68Å; L232-V234 PolarHBondContact O-N 3.39Å
233P94Very high94.5Very high129 Ų12982.1 Ų82.184%0.83839%0.393SS*.  trans-78.455.5176.833.9-36.4000111.7K235P233-K235 PolarHBondContact O-N 3.17Å
234V94.9Very high94.1Very high40 Ų4081.8 Ų81.824%0.24239%0.389CS..  trans-76120.6-175.9-178.60000110.4V229 L232 H236 M237 M256V229-V234 HydrophobicContact CG1-CB 4.48Å; V229-V234 HydrophobicContact CG1-CG2 4.31Å; L232-V234 HydrophobicContact CB-CG2 3.68Å; L232-V234 PolarHBondContact O-N 3.39Å; V234-H236 WeakPolarHBondContact CG1-O 3.42Å; V234-M237 HydrophobicContact CG1-CB 4.28Å; V234-M237 HydrophobicContact CG1-CE 4.28Å; V234-M256 HydrophobicContact CB-CE 3.9Å; V234-M256 HydrophobicContact CG1-CE 3.87Å; V234-M256 HydrophobicContact CG1-CG 4.47Å; V234-M256 HydrophobicContact CG1-SD 4.11Å
235K94.8Very high93.9Very high118 Ų11879.9 Ų79.951%0.51338%0.378SS..SBendtrans-103.9-25.2174.2-67.2-62.5-174.5-178.20113.8P233 M256 Q257P233-K235 PolarHBondContact O-N 3.17Å; K235-M256 CarbonylContact O-C 3.6Å; K235-M256 WeakPolarHBondContact O-CA 3.48Å; K235-Q257 PolarHBondContact O-N 3.47Å
236H95.2Very high93.8Very high127 Ų12779.1 Ų79.159%0.58837%0.373SS*.EExtended strand (participates in β ladder)trans-133.6128.6178.2-57.4-94.1000108.9V234 Q257V234-H236 WeakPolarHBondContact CG1-O 3.42Å; H236-Q257 CarbonylContact C-O 3.56Å; H236-Q257 WeakPolarHBondContact CA-O 3.22Å; H236-Q257 PolarHBondContact CE1-OE1 3.08Å; H236-Q257 PolarHBondContact ND1-OE1 3.22Å
237M95.3Very high93.7Very high31 Ų3181.3 Ų81.315%0.15338%0.383CS..EExtended strand (participates in β ladder)trans-128.3134.6178.6176.9171.3-68.800110.2V229 V234 C251 M256 Q257 L258 T259V229-M237 HydrophobicContact CB-CE 4.24Å; V229-M237 HydrophobicContact CG1-CE 3.52Å; V229-M237 HydrophobicContact CG2-CE 3.67Å; V234-M237 HydrophobicContact CG1-CB 4.28Å; V234-M237 HydrophobicContact CG1-CE 4.28Å; M237-C251 HydrophobicContact CE-CB 3.78Å; M237-C251 HydrophobicContact SD-CB 3.56Å; M237-C251 VanDerWaalsContact SD-CB 3.56Å; M237-M256 HydrophobicContact CB-CG 4.37Å; M237-M256 HydrophobicContact CB-SD 3.6Å; M237-M256 VanDerWaalsContact CB-SD 3.6Å; M237-M256 HydrophobicContact CE-CE 4.43Å; M237-M256 HydrophobicContact CE-SD 4.1Å; M237-M256 HydrophobicContact SD-SD 4.27Å; M237-Q257 PolarHBondContact N-O 2.86Å; M237-L258 HydrophobicContact CB-CD1 4.05Å; M237-L258 HydrophobicContact CG-CD1 3.84Å; M237-L258 WeakPolarHBondContact O-CA 3.41Å; M237-L258 HydrophobicContact SD-CD1 4.14Å; M237-T259 PolarHBondContact O-N 3.42Å
238W96.3Very high93.6Very high177 Ų17778 Ų7867%0.6737%0.366SS*.EExtended strand (participates in β ladder)trans-109.4118.5171.3-71.329.8000108.1L240 T259 I261W238-L240 HydrophobicContact CB-CD2 4.26Å; W238-L240 HydrophobicContact CE3-CD2 4.2Å; W238-T259 CarbonylContact C-O 3.59Å; W238-T259 VanDerWaalsContact CA-O 3.31Å; W238-T259 WeakPolarHBondContact CA-O 3.32Å; W238-I261 HydrophobicContact CE3-CD1 3.7Å; W238-I261 HydrophobicContact CZ3-CD1 3.88Å
239D94.8Very high93.6Very high20 Ų2072.3 Ų72.311%0.10735%0.346CS..EExtended strand (participates in β ladder)trans-94.899.7172.2-1723.8000107.8C242 G248 L258 T259 G260 I261D239-C242 HydrophobicContact CB-CB 3.79Å; D239-C242 WeakPolarHBondContact O-CB 3.41Å; D239-C242 WeakPolarHBondContact OD2-CB 3.17Å; D239-G248 VanDerWaalsContact OD2-CA 3.25Å; D239-G248 WeakPolarHBondContact OD2-CA 3.06Å; D239-G248 PolarHBondContact OD2-N 2.99Å; D239-L258 HydrophobicContact CB-CD1 4.16Å; D239-T259 PolarHBondContact N-O 3.1Å; D239-G260 WeakPolarHBondContact O-CA 3.48Å; D239-I261 PolarHBondContact O-N 3.1Å
240L94.3Very high93.6Very high94 Ų9471.4 Ų71.449%0.49234%0.34SS..EExtended strand (participates in β ladder)trans-87.5134.7-178.3-55.6-176.7000109.9W238 I261W238-L240 HydrophobicContact CB-CD2 4.26Å; W238-L240 HydrophobicContact CE3-CD2 4.2Å; L240-I261 HydrophobicContact CD2-CB 4.04Å; L240-I261 HydrophobicContact CD2-CD1 3.66Å; L240-I261 HydrophobicContact CD2-CG1 4.11Å
241F91Very high93.6Very high180 Ų18064 Ų6479%0.78931%0.313SS*.THydrogen-bonded Turntrans57.843.2-171.6-42.6-79.5000110.8G243 I261F241-G243 PolarHBondContact O-N 3.05Å; F241-I261 WeakPolarHBondContact CA-O 3.36Å; F241-I261 PolarHBondContact N-O 3.03Å
242C90.3Very high93.6Very high15 Ų1558.6 Ų58.610%0.10130%0.295CS..  trans-64.8-16.6-166.264.10000113.6D239 V244 G245 I261D239-C242 HydrophobicContact CB-CB 3.79Å; D239-C242 WeakPolarHBondContact O-CB 3.41Å; D239-C242 WeakPolarHBondContact OD2-CB 3.17Å; C242-V244 PolarHBondContact O-N 3.04Å; C242-G245 WeakPolarHBondContact O-CA 3.2Å; C242-G245 PolarHBondContact O-N 2.91Å; C242-I261 PolarHBondContact N-O 3.31Å
243G90Very high93.4Very high7 Ų756 Ų567%0.07229%0.285CS..THydrogen-bonded Turntrans54.4-122.4-172.800000110.1F241 G245 E262 A267F241-G243 PolarHBondContact O-N 3.05Å; G243-G245 PolarHBondContact O-N 3.2Å; G243-E262 WeakPolarHBondContact CA-OE2 3.15Å; G243-E262 PolarHBondContact N-OE2 3.44Å; G243-A267 CarbonylContact O-C 3.55Å; G243-A267 WeakPolarHBondContact O-CB 3.48Å
244V88.8Confident93.1Very high7 Ų756.3 Ų56.34%0.04229%0.286CS..THydrogen-bonded Turntrans-83.58.6177.3-56.50000113.7L203 F211 C242 C270L203-V244 HydrophobicContact CD1-CG2 4.4Å; F211-V244 HydrophobicContact CD2-CG1 4.47Å; F211-V244 HydrophobicContact CD2-CG2 3.68Å; F211-V244 HydrophobicContact CE2-CG2 3.74Å; C242-V244 PolarHBondContact O-N 3.04Å; V244-C270 HydrophobicContact CB-CB 3.95Å; V244-C270 HydrophobicContact CG1-CB 3.7Å
245G91.2Very high92.9Very high5 Ų560.1 Ų60.15%0.05231%0.305CS..THydrogen-bonded Turntrans87.623-179.500000114.5C242 G243 F247 L249C242-G245 WeakPolarHBondContact O-CA 3.2Å; C242-G245 PolarHBondContact O-N 2.91Å; G243-G245 PolarHBondContact O-N 3.2Å; G245-F247 PolarHBondContact O-N 2.82Å; G245-L249 WeakPolarHBondContact O-CB 3.41Å; G245-L249 WeakPolarHBondContact O-CG 3.25Å; G245-L249 PolarHBondContact O-N 2.85Å
246G92.7Very high92.8Very high3 Ų355.7 Ų55.73%0.03129%0.287CS..Hα-helixtrans-53.3-51.6-173.900000113.4H250G246-H250 PolarHBondContact O-ND1 3.18Å
247F94.8Very high92.8Very high86 Ų8655.1 Ų55.138%0.37728%0.284SS..Hα-helixtrans-77.8-52.9179.3-73.5-73.7000112.3L221 Y222 A225 G245 L249 H250 C251L221-F247 HydrophobicContact CB-CE1 4.38Å; L221-F247 HydrophobicContact CB-CZ 4.42Å; Y222-F247 AromaticContact CD1-CD1 3.59Å; Y222-F247 HydrophobicContact CD1-CD1 3.59Å; Y222-F247 HydrophobicContact CD1-CD2 4.21Å; Y222-F247 AromaticContact CD1-CE1 3.6Å; Y222-F247 HydrophobicContact CD1-CE1 3.6Å; Y222-F247 HydrophobicContact CD1-CE2 4.22Å; Y222-F247 AromaticContact CD1-CG 3.9Å; Y222-F247 HydrophobicContact CD1-CG 3.9Å; Y222-F247 AromaticContact CD1-CZ 3.92Å; Y222-F247 HydrophobicContact CD1-CZ 3.92Å; Y222-F247 HydrophobicContact CE1-CD1 4.1Å; Y222-F247 AromaticContact CE1-CD2 3.86Å; Y222-F247 HydrophobicContact CE1-CD2 3.86Å; Y222-F247 HydrophobicContact CE1-CE1 4.03Å; Y222-F247 AromaticContact CE1-CE2 3.79Å; Y222-F247 HydrophobicContact CE1-CE2 3.79Å; Y222-F247 HydrophobicContact CE1-CG 4.01Å; Y222-F247 AromaticContact CE1-CZ 3.87Å; Y222-F247 HydrophobicContact CE1-CZ 3.87Å; A225-F247 HydrophobicContact CB-CD1 3.64Å; A225-F247 HydrophobicContact CB-CE1 4Å; G245-F247 PolarHBondContact O-N 2.82Å; F247-L249 VanDerWaalsContact C-N 3.34Å; F247-L249 PolarHBondContact O-N 3.27Å; F247-H250 PolarHBondContact O-N 3.05Å; F247-H250 VanDerWaalsContact O-N 3.1Å; F247-C251 PolarHBondContact O-N 3.38Å; F247-C251 VanDerWaalsContact O-N 3.08Å; F247-C251 PolarHBondContact O-SG 2.82Å; F247-C251 VanDerWaalsContact O-SG 3.37Å
248G94.1Very high92.8Very high0 Ų056.2 Ų56.20%029%0.291CS..Hα-helixtrans-55.9-45.4-175.700000113.1D239 H250 C251 A252 L258D239-G248 VanDerWaalsContact OD2-CA 3.25Å; D239-G248 WeakPolarHBondContact OD2-CA 3.06Å; D239-G248 PolarHBondContact OD2-N 2.99Å; G248-H250 VanDerWaalsContact C-N 3.33Å; G248-H250 PolarHBondContact O-N 3.06Å; G248-C251 PolarHBondContact O-N 3.24Å; G248-A252 PolarHBondContact O-N 3.15Å; G248-L258 VanDerWaalsContact C-CD2 3.43Å; G248-L258 WeakPolarHBondContact O-CD2 3.38Å
249L94.3Very high92.7Very high27 Ų2750.2 Ų50.214%0.14127%0.274CS..Hα-helixtrans-67.9-31.3-179.7-63.6175.6000112.8V201 L203 G245 F247 L258 H274V201-L249 HydrophobicContact CG1-CB 3.77Å; L203-L249 HydrophobicContact CD2-CD1 3.63Å; G245-L249 WeakPolarHBondContact O-CB 3.41Å; G245-L249 WeakPolarHBondContact O-CG 3.25Å; G245-L249 PolarHBondContact O-N 2.85Å; F247-L249 VanDerWaalsContact C-N 3.34Å; F247-L249 PolarHBondContact O-N 3.27Å; L249-L258 HydrophobicContact CD2-CD2 4.13Å; L249-H274 HydrophobicContact CD1-CB 4.06Å; L249-H274 VanDerWaalsContact CD2-CD2 3.41Å; L249-H274 WeakPolarHBondContact CD2-CD2 3.42Å
250H95.2Very high92.5Very high6 Ų651.6 Ų51.63%0.02829%0.292CS..Hα-helixtrans-72.7-31.1174.7-78.576.9000112.7F198 N199 Y222 R226 G246 F247 G248F198-H250 WeakPolarHBondContact CB-NE2 3.3Å; F198-H250 PolarHBondContact O-NE2 3.23Å; N199-H250 PolarHBondContact ND2-CD2 2.83Å; N199-H250 VanDerWaalsContact ND2-CD2 3.29Å; N199-H250 PolarHBondContact ND2-NE2 3.18Å; Y222-H250 VanDerWaalsContact CB-CD2 3.5Å; Y222-H250 WeakPolarHBondContact CB-CD2 3.49Å; Y222-H250 AromaticContact CD2-CE1 3.53Å; Y222-H250 AromaticContact CD2-NE2 3.91Å; Y222-H250 AromaticContact CG-CE1 3.86Å; Y222-H250 AromaticContact CG-ND1 3.96Å; R226-H250 HydrophobicContact CB-CB 4.38Å; R226-H250 WeakPolarHBondContact CB-O 3.5Å; R226-H250 WeakPolarHBondContact CD-O 3.42Å; R226-H250 WeakPolarHBondContact CG-O 3.47Å; G246-H250 PolarHBondContact O-ND1 3.18Å; F247-H250 PolarHBondContact O-N 3.05Å; F247-H250 VanDerWaalsContact O-N 3.1Å; G248-H250 VanDerWaalsContact C-N 3.33Å; G248-H250 PolarHBondContact O-N 3.06Å
251C95.5Very high92.4Very high8 Ų850.8 Ų50.85%0.05429%0.288CS..Hα-helixtrans-83.3-18178.6-65.80000113.6V229 M237 F247 G248 M256V229-C251 HydrophobicContact CB-CB 4.34Å; V229-C251 HydrophobicContact CG1-CB 4.16Å; V229-C251 HydrophobicContact CG2-CB 4.29Å; M237-C251 HydrophobicContact CE-CB 3.78Å; M237-C251 HydrophobicContact SD-CB 3.56Å; M237-C251 VanDerWaalsContact SD-CB 3.56Å; F247-C251 PolarHBondContact O-N 3.38Å; F247-C251 VanDerWaalsContact O-N 3.08Å; F247-C251 PolarHBondContact O-SG 2.82Å; F247-C251 VanDerWaalsContact O-SG 3.37Å; G248-C251 PolarHBondContact O-N 3.24Å; C251-M256 WeakPolarHBondContact O-CE 3.27Å
252A93.1Very high92.4Very high42 Ų4244.4 Ų44.435%0.34726%0.26SS..  trans-60.5140.1-175.600000112.5G248 L258G248-A252 PolarHBondContact O-N 3.15Å; A252-L258 HydrophobicContact CB-CD2 4.32Å
253T90.1Very high92.3Very high55 Ų5551.5 Ų51.534%0.33730%0.296SS..  trans-129.4160.9170.669.50000109.2D255 M256T253-D255 PolarHBondContact O-N 2.71Å; T253-D255 VanDerWaalsContact O-N 3.1Å; T253-M256 HydrophobicContact CG2-CE 4.39Å; T253-M256 PolarHBondContact O-N 3.45Å; T253-M256 VanDerWaalsContact O-N 3.09Å; T253-M256 WeakPolarHBondContact OG1-CB 3.47Å
254P88.8Confident92Very high135 Ų13553 Ų5388%0.87731%0.307SS*.THydrogen-bonded Turntrans-56.6-27.4179.5-27.336.1000114.5
255D90.8Very high91.7Very high120 Ų12056.8 Ų56.864%0.64233%0.334SS*.THydrogen-bonded Turntrans-977.6-177.2-56.6-41.4000113.5T253T253-D255 PolarHBondContact O-N 2.71Å; T253-D255 VanDerWaalsContact O-N 3.1Å
256M93.1Very high91.4Very high24 Ų2458.7 Ų58.712%0.11834%0.342CS..  trans-110.4132.7-177.2-173.6-172.4-58.600110.8V229 V234 K235 M237 C251 T253V229-M256 HydrophobicContact CG1-CE 3.97Å; V234-M256 HydrophobicContact CB-CE 3.9Å; V234-M256 HydrophobicContact CG1-CE 3.87Å; V234-M256 HydrophobicContact CG1-CG 4.47Å; V234-M256 HydrophobicContact CG1-SD 4.11Å; K235-M256 CarbonylContact O-C 3.6Å; K235-M256 WeakPolarHBondContact O-CA 3.48Å; M237-M256 HydrophobicContact CB-CG 4.37Å; M237-M256 HydrophobicContact CB-SD 3.6Å; M237-M256 VanDerWaalsContact CB-SD 3.6Å; M237-M256 HydrophobicContact CE-CE 4.43Å; M237-M256 HydrophobicContact CE-SD 4.1Å; M237-M256 HydrophobicContact SD-SD 4.27Å; C251-M256 WeakPolarHBondContact O-CE 3.27Å; T253-M256 HydrophobicContact CG2-CE 4.39Å; T253-M256 PolarHBondContact O-N 3.45Å; T253-M256 VanDerWaalsContact O-N 3.09Å; T253-M256 WeakPolarHBondContact OG1-CB 3.47Å
257Q94.7Very high90.6Very high116 Ų11658.6 Ų58.654%0.54234%0.341SS..EExtended strand (participates in β ladder)trans-84.8114166-171.4179.328.800109.8K235 H236 M237K235-Q257 PolarHBondContact O-N 3.47Å; H236-Q257 CarbonylContact C-O 3.56Å; H236-Q257 WeakPolarHBondContact CA-O 3.22Å; H236-Q257 PolarHBondContact CE1-OE1 3.08Å; H236-Q257 PolarHBondContact ND1-OE1 3.22Å; M237-Q257 PolarHBondContact N-O 2.86Å
258L94.7Very high89.8Confident54 Ų5458.6 Ų58.628%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-100.3127.8174.4177.466.5000110.8M237 D239 G248 L249 A252M237-L258 HydrophobicContact CB-CD1 4.05Å; M237-L258 HydrophobicContact CG-CD1 3.84Å; M237-L258 WeakPolarHBondContact O-CA 3.41Å; M237-L258 HydrophobicContact SD-CD1 4.14Å; D239-L258 HydrophobicContact CB-CD1 4.16Å; G248-L258 VanDerWaalsContact C-CD2 3.43Å; G248-L258 WeakPolarHBondContact O-CD2 3.38Å; L249-L258 HydrophobicContact CD2-CD2 4.13Å; A252-L258 HydrophobicContact CB-CD2 4.32Å
259T94Very high89.2Confident51 Ų5160.5 Ų60.531%0.31336%0.359SS..EExtended strand (participates in β ladder)trans-117.2115.5171.5-59.30000109.3M237 W238 D239 I261M237-T259 PolarHBondContact O-N 3.42Å; W238-T259 CarbonylContact C-O 3.59Å; W238-T259 VanDerWaalsContact CA-O 3.31Å; W238-T259 WeakPolarHBondContact CA-O 3.32Å; D239-T259 PolarHBondContact N-O 3.1Å; T259-I261 HydrophobicContact CG2-CG1 4.4Å
260G92.2Very high88.5Confident48 Ų4859.2 Ų59.250%0.49535%0.353SS..EExtended strand (participates in β ladder)trans-89.3135.617100000111.5D239D239-G260 WeakPolarHBondContact O-CA 3.48Å
261I91.6Very high87.5Confident78 Ų7860.2 Ų60.240%0.436%0.362SS..EExtended strand (participates in β ladder)trans-120.7119.7173.7-59.5-174.5000108.6W238 D239 L240 F241 C242 T259W238-I261 HydrophobicContact CE3-CD1 3.7Å; W238-I261 HydrophobicContact CZ3-CD1 3.88Å; D239-I261 PolarHBondContact O-N 3.1Å; L240-I261 HydrophobicContact CD2-CB 4.04Å; L240-I261 HydrophobicContact CD2-CD1 3.66Å; L240-I261 HydrophobicContact CD2-CG1 4.11Å; F241-I261 WeakPolarHBondContact CA-O 3.36Å; F241-I261 PolarHBondContact N-O 3.03Å; C242-I261 PolarHBondContact N-O 3.31Å; T259-I261 HydrophobicContact CG2-CG1 4.4Å
262E89.7Confident86.5Confident46 Ų4661.3 Ų61.322%0.21538%0.375CS..  trans-148.6150.3-17817752.3-111.600109.7G243 A264 A267 I268G243-E262 WeakPolarHBondContact CA-OE2 3.15Å; G243-E262 PolarHBondContact N-OE2 3.44Å; E262-A264 HydrophobicContact CG-CB 4.24Å; E262-A264 WeakPolarHBondContact OE1-CB 3.46Å; E262-A264 PolarHBondContact OE1-N 3.3Å; E262-A267 HydrophobicContact CG-CB 3.86Å; E262-I268 HydrophobicContact CB-CG1 3.91Å; E262-I268 HydrophobicContact CG-CG1 4.09Å; E262-I268 WeakPolarHBondContact O-CD1 3.49Å
263I88.1Confident85.5Confident164 Ų16462.7 Ų62.784%0.84138%0.376SS*.SBendtrans-98.9-28.4177.9-166.7169.8000112.1S265I263-S265 PolarHBondContact O-N 2.99Å
264A84.4Confident84.2Confident39 Ų3960.7 Ų60.732%0.32236%0.362SS..  trans-75.7110.417800000111.6E262 E266 A267 I268E262-A264 HydrophobicContact CG-CB 4.24Å; E262-A264 WeakPolarHBondContact OE1-CB 3.46Å; E262-A264 PolarHBondContact OE1-N 3.3Å; A264-E266 VanDerWaalsContact C-N 3.32Å; A264-E266 PolarHBondContact O-N 3.32Å; A264-A267 HydrophobicContact CB-CB 3.93Å; A264-A267 WeakPolarHBondContact O-CB 3.44Å; A264-A267 PolarHBondContact O-N 3.46Å; A264-I268 PolarHBondContact O-N 3.38Å; A264-I268 VanDerWaalsContact O-N 3.1Å
265S83.4Confident82.7Confident86 Ų8656.6 Ų56.660%0.60134%0.337SS*.Hα-helixtrans-55.6-41.1-179.853.60000113.8I263 A267 I268 A269I263-S265 PolarHBondContact O-N 2.99Å; S265-A267 VanDerWaalsContact C-N 3.28Å; S265-A267 PolarHBondContact O-N 2.8Å; S265-I268 PolarHBondContact O-N 3.37Å; S265-A269 PolarHBondContact O-N 3.21Å
266E83.6Confident80.5Confident45 Ų4555 Ų5521%0.2133%0.332CS..Hα-helixtrans-64.5-33.5177.7-70.1-61.2142.300112.4R206 Q208 A264 C270R206-E266 IonicContact CZ-OE2 2.66Å; R206-E266 IonicContact NE-OE2 3.96Å; R206-E266 PolarHBondContact NE-OE2 3.11Å; R206-E266 IonicContact NH2-OE2 2.7Å; R206-E266 PolarHBondContact NH2-OE2 2.85Å; Q208-E266 HydrophobicContact CB-CG 4.45Å; A264-E266 VanDerWaalsContact C-N 3.32Å; A264-E266 PolarHBondContact O-N 3.32Å; E266-C270 PolarHBondContact O-N 2.91Å; E266-C270 VanDerWaalsContact O-N 3.12Å; E266-C270 PolarHBondContact O-SG 2.84Å
267A77.4Confident77.8Confident1 Ų155.5 Ų55.51%0.00834%0.337CS..Hα-helixtrans-72.1-40.6176.900000111.1G243 E262 A264 S265 A269 C270 A271G243-A267 CarbonylContact O-C 3.55Å; G243-A267 WeakPolarHBondContact O-CB 3.48Å; E262-A267 HydrophobicContact CG-CB 3.86Å; A264-A267 HydrophobicContact CB-CB 3.93Å; A264-A267 WeakPolarHBondContact O-CB 3.44Å; A264-A267 PolarHBondContact O-N 3.46Å; S265-A267 VanDerWaalsContact C-N 3.28Å; S265-A267 PolarHBondContact O-N 2.8Å; A267-A269 PolarHBondContact O-N 3.01Å; A267-C270 WeakPolarHBondContact O-CB 3.31Å; A267-C270 PolarHBondContact O-N 3.25Å; A267-A271 PolarHBondContact O-N 3.3Å
268I77.2Confident75Confident85 Ų8556.9 Ų56.944%0.43634%0.343SS..Hα-helixtrans-59.9-44.4171.7-61168.9000111E262 A264 S265 C270 A271 G272E262-I268 HydrophobicContact CB-CG1 3.91Å; E262-I268 HydrophobicContact CG-CG1 4.09Å; E262-I268 WeakPolarHBondContact O-CD1 3.49Å; A264-I268 PolarHBondContact O-N 3.38Å; A264-I268 VanDerWaalsContact O-N 3.1Å; S265-I268 PolarHBondContact O-N 3.37Å; I268-C270 VanDerWaalsContact C-N 3.3Å; I268-C270 PolarHBondContact O-N 3.45Å; I268-A271 PolarHBondContact O-N 2.8Å; I268-G272 PolarHBondContact O-N 3.34Å
269A81.6Confident72.1Confident40 Ų4063.6 Ų63.633%0.33137%0.365SS..Hα-helixtrans-59.8-40.717700000111.7S265 A267 G272 L273S265-A269 PolarHBondContact O-N 3.21Å; A267-A269 PolarHBondContact O-N 3.01Å; A269-G272 PolarHBondContact O-N 3.45Å; A269-L273 WeakPolarHBondContact O-CG 3.42Å; A269-L273 PolarHBondContact O-N 3.47Å
270C80.2Confident69Low1 Ų164.2 Ų64.21%0.00737%0.371CS..Hα-helixtrans-61.8-46.9174-64.40000112.4W204 R206 V244 E266 A267 I268 G272 L273W204-C270 HydrophobicContact CB-CB 4.27Å; W204-C270 VanDerWaalsContact O-CB 3.3Å; W204-C270 WeakPolarHBondContact O-CB 3.29Å; W204-C270 PolarHBondContact O-SG 2.73Å; R206-C270 VanDerWaalsContact CB-SG 3.52Å; R206-C270 VanDerWaalsContact CD-SG 3.52Å; R206-C270 WeakPolarHBondContact CG-SG 3.37Å; V244-C270 HydrophobicContact CB-CB 3.95Å; V244-C270 HydrophobicContact CG1-CB 3.7Å; E266-C270 PolarHBondContact O-N 2.91Å; E266-C270 VanDerWaalsContact O-N 3.12Å; E266-C270 PolarHBondContact O-SG 2.84Å; A267-C270 WeakPolarHBondContact O-CB 3.31Å; A267-C270 PolarHBondContact O-N 3.25Å; I268-C270 VanDerWaalsContact C-N 3.3Å; I268-C270 PolarHBondContact O-N 3.45Å; C270-G272 VanDerWaalsContact C-N 3.31Å; C270-G272 PolarHBondContact O-N 2.99Å; C270-L273 PolarHBondContact O-N 2.98Å
271A72.8Confident65.9Low26 Ų2666.1 Ų66.122%0.21539%0.391CS..Hα-helixtrans-64.6-36.5178.600000111.8A267 I268 L273 H274A267-A271 PolarHBondContact O-N 3.3Å; I268-A271 PolarHBondContact O-N 2.8Å; A271-L273 PolarHBondContact O-N 3.49Å; A271-H274 WeakPolarHBondContact O-CB 3.37Å; A271-H274 PolarHBondContact O-N 3.46Å
272G75.4Confident62.8Low32 Ų3265.6 Ų65.633%0.3341%0.405SS..Hα-helixtrans-63.2-36.5177.400000113.8I268 A269 C270 H274 S275 V276I268-G272 PolarHBondContact O-N 3.34Å; A269-G272 PolarHBondContact O-N 3.45Å; C270-G272 VanDerWaalsContact C-N 3.31Å; C270-G272 PolarHBondContact O-N 2.99Å; G272-H274 PolarHBondContact O-N 3.04Å; G272-S275 PolarHBondContact O-N 3.32Å; G272-S275 PolarHBondContact O-OG 3.16Å; G272-V276 PolarHBondContact O-N 2.86Å
273L71.4Confident59.8Low70 Ų7068.5 Ų68.537%0.36643%0.429SS..Hα-helixtrans-59-28.3176.6-70.9168.8000112.4W204 A269 C270 A271W204-L273 HydrophobicContact CB-CD1 3.98Å; W204-L273 HydrophobicContact CD2-CD1 4.26Å; W204-L273 HydrophobicContact CG-CB 4.1Å; W204-L273 HydrophobicContact CG-CD1 3.85Å; A269-L273 WeakPolarHBondContact O-CG 3.42Å; A269-L273 PolarHBondContact O-N 3.47Å; C270-L273 PolarHBondContact O-N 2.98Å; A271-L273 PolarHBondContact O-N 3.49Å
274H62.6Low56.8Low13 Ų1365.3 Ų65.36%0.0643%0.427CS..Hα-helixtrans-71.3-41175-173.389.8000112.6P202 L249 A271 G272 V276 C277 H278P202-H274 PolarHBondContact O-ND1 3.29Å; L249-H274 HydrophobicContact CD1-CB 4.06Å; L249-H274 VanDerWaalsContact CD2-CD2 3.41Å; L249-H274 WeakPolarHBondContact CD2-CD2 3.42Å; A271-H274 WeakPolarHBondContact O-CB 3.37Å; A271-H274 PolarHBondContact O-N 3.46Å; G272-H274 PolarHBondContact O-N 3.04Å; H274-V276 PolarHBondContact O-N 3.29Å; H274-C277 WeakPolarHBondContact O-CB 3.41Å; H274-C277 PolarHBondContact O-N 3.35Å; H274-H278 AromaticContact CD2-CD2 3.74Å; H274-H278 AromaticContact CE1-CD2 3.94Å; H274-H278 AromaticContact NE2-CD2 3.04Å; H274-H278 PolarHBondContact NE2-CD2 3.1Å; H274-H278 AromaticContact NE2-NE2 3.46Å; H274-H278 PolarHBondContact NE2-NE2 3.09Å; H274-H278 PolarHBondContact O-N 3.34Å
275S57.2Low54Low50 Ų5067.1 Ų67.135%0.3545%0.449SS..Hα-helixtrans-62.1-26179.6750000113.3G272 R279G272-S275 PolarHBondContact O-N 3.32Å; G272-S275 PolarHBondContact O-OG 3.16Å; S275-R279 PolarHBondContact O-NE 2.86Å; S275-R279 PolarHBondContact O-NH2 3.15Å; S275-R279 PolarHBondContact OG-NH2 2.87Å
276V45.1Very low51.5Low87 Ų8768.3 Ų68.353%0.52747%0.465SS..Hα-helixtrans-73.1-41.7173.1-179.30000110.4G272 H274 R279 S280G272-V276 PolarHBondContact O-N 2.86Å; H274-V276 PolarHBondContact O-N 3.29Å; V276-R279 PolarHBondContact O-N 3.14Å; V276-S280 PolarHBondContact O-OG 2.85Å
277C36.4Very low48.6Very low34 Ų3469.7 Ų69.723%0.2349%0.491CS..Hα-helixtrans-64-43.1177.8-68.60000112.6H274 R279 S280H274-C277 WeakPolarHBondContact O-CB 3.41Å; H274-C277 PolarHBondContact O-N 3.35Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 2.98Å; C277-S280 CarbonylContact O-C 3.59Å; C277-S280 PolarHBondContact O-N 2.86Å; C277-S280 VanDerWaalsContact O-N 3.16Å; C277-S280 VanDerWaalsContact O-O 3.11Å
278H37Very low46.3Very low145 Ų14573.2 Ų73.267%0.67152%0.52SS*.Hα-helixtrans-67-29.4-178.2-107.4-46.7000114.1H274 S280H274-H278 AromaticContact CD2-CD2 3.74Å; H274-H278 AromaticContact CE1-CD2 3.94Å; H274-H278 AromaticContact NE2-CD2 3.04Å; H274-H278 PolarHBondContact NE2-CD2 3.1Å; H274-H278 AromaticContact NE2-NE2 3.46Å; H274-H278 PolarHBondContact NE2-NE2 3.09Å; H274-H278 PolarHBondContact O-N 3.34Å; H278-S280 VanDerWaalsContact C-N 3.26Å; H278-S280 PolarHBondContact O-N 2.83Å
279R32.3Very low43.8Very low195 Ų19576.4 Ų76.474%0.73657%0.573SS**Hα-helixtrans-74.4-17.2176.2-76.8-174.8-75.4-116-4.7113.4S275 V276 C277S275-R279 PolarHBondContact O-NE 2.86Å; S275-R279 PolarHBondContact O-NH2 3.15Å; S275-R279 PolarHBondContact OG-NH2 2.87Å; V276-R279 PolarHBondContact O-N 3.14Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 2.98Å
280S29.5Very low42Very low64 Ų6478.2 Ų78.245%0.44859%0.586SS.*SBendtrans-11781.1-179.139.30000109V276 C277 H278 G282V276-S280 PolarHBondContact O-OG 2.85Å; C277-S280 CarbonylContact O-C 3.59Å; C277-S280 PolarHBondContact O-N 2.86Å; C277-S280 VanDerWaalsContact O-N 3.16Å; C277-S280 VanDerWaalsContact O-O 3.11Å; H278-S280 VanDerWaalsContact C-N 3.26Å; H278-S280 PolarHBondContact O-N 2.83Å; S280-G282 PolarHBondContact O-N 3.43Å
281G26.5Very low39.9Very low88 Ų8882.3 Ų82.391%0.90762%0.616SS**SBendtrans-54.996.917500000111.2
282G26.3Very low38.1Very low67 Ų6785.4 Ų85.469%0.69164%0.638SS**  trans13282.7-179.100000112.6S280 A284S280-G282 PolarHBondContact O-N 3.43Å; G282-A284 PolarHBondContact O-N 3.21Å
283C27.6Very low35.9Very low107 Ų10788.5 Ų88.572%0.72366%0.656SS**  trans-75.4106.5170.2-69.60000110.6
284A25.7Very low33.7Very low96 Ų9689.7 Ų89.779%0.79368%0.675SS**  trans-125.9108150.900000107.8G282G282-A284 PolarHBondContact O-N 3.21Å
285G25.7Very low31.8Very low77 Ų7794.8 Ų94.879%0.79472%0.715SS**  trans43.685.3161.400000117.6G287G285-G287 VanDerWaalsContact C-N 3.33Å; G285-G287 PolarHBondContact O-N 2.82Å
286A29.3Very low30Very low112 Ų11298 Ų9893%0.92674%0.742SS**  trans-7491.815900000108.8
287G24.2Very low28.8Very low73 Ų7398.8 Ų98.875%0.75376%0.758SS**  trans-66.8131.7164.100000109.9G285G285-G287 VanDerWaalsContact C-N 3.33Å; G285-G287 PolarHBondContact O-N 2.82Å
288A29.4Very low28.2Very low76 Ų76104.3 Ų104.363%0.62880%0.802SS**  trans-64.7140.9172.800000110.4
289G24.4Very low27.4Very low151 Ų151100.5 Ų100.5100%1.55781%0.814SS**  trans-113.50164.700000110.2

Retrieved 289 of 289 residues in 238.7 ms (Link to these results)

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