M3YTV5_MUSPF Loading...

Protein argonaute-4

Required for RNA-mediated gene silencing (RNAi). Binds to short RNAs such as microRNAs (miRNAs) and represses the translation of mRNAs which are complementary to them. Lacks endonuclease activity and does not appear to cleave target mRNAs.

AlphaFold DB , UniProt , Accession M3YTV5, Species MUSPF (Mustela putorius furo, European domestic ferret), Gene AGO4, Length 794 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
1M81.7Confident86Confident64 Ų6487.4 Ų87.432%0.31541%0.411SS..  0-77.70-168.1-173.373.100111.8R3 H4 F5 F10 M23 M38 V40 V53M1-R3 PolarHBondContact O-N 3.09Å; M1-H4 WeakPolarHBondContact O-CA 3.45Å; M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 3.27Å; M1-F5 HydrophobicContact CG-CD2 4.31Å; M1-F5 PolarHBondContact O-N 3.42Å; M1-F10 HydrophobicContact CE-CE1 4.27Å; M1-F10 HydrophobicContact CE-CE2 4.32Å; M1-F10 HydrophobicContact CE-CZ 3.64Å; M1-F10 HydrophobicContact CG-CE2 4.18Å; M1-F10 HydrophobicContact CG-CZ 4.36Å; M1-F10 HydrophobicContact SD-CZ 4.27Å; M1-M23 HydrophobicContact CE-SD 4Å; M1-M38 HydrophobicContact CG-SD 4.4Å; M1-M38 HydrophobicContact SD-CE 4.12Å; M1-V40 HydrophobicContact CB-CG2 3.96Å; M1-V40 HydrophobicContact CG-CG2 4.05Å; M1-V53 HydrophobicContact SD-CG1 3.81Å
2V82.9Confident86.2Confident43 Ų4390.3 Ų90.326%0.26143%0.431SS..THydrogen-bonded Turntrans-51.5-48.9-173.4-179.10000113.1H4 K6 F10 P15V2-H4 PolarHBondContact O-N 3.36Å; V2-K6 WeakPolarHBondContact O-CA 3.45Å; V2-K6 PolarHBondContact O-N 3.05Å; V2-F10 HydrophobicContact CG1-CB 4.11Å; V2-F10 HydrophobicContact CG1-CD1 4.41Å; V2-F10 HydrophobicContact CG1-CG 4.09Å; V2-F10 HydrophobicContact CG2-CD1 4.42Å; V2-F10 HydrophobicContact CG2-CE1 4.41Å; V2-P15 HydrophobicContact CG1-CG 4.27Å; V2-P15 HydrophobicContact CG2-CG 3.63Å
3R84.1Confident86.6Confident243 Ų24388.5 Ų88.592%0.91742%0.417SS*.THydrogen-bonded Turntrans-64.3-36.6176.1-66.3-176.5-177.1173.30113.8M1M1-R3 PolarHBondContact O-N 3.09Å
4H83.8Confident86.9Confident139 Ų13986.4 Ų86.464%0.64441%0.407SS*.THydrogen-bonded Turntrans-74.3-38.9-175.5-169.984000111.6M1 V2M1-H4 WeakPolarHBondContact O-CA 3.45Å; M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 3.27Å; V2-H4 PolarHBondContact O-N 3.36Å
5F85.2Confident87.4Confident23 Ų2380.9 Ų80.910%0.10138%0.382CS..THydrogen-bonded Turntrans-101.627179.5-67.2-77.3000112.4M1 Q8 I9 F10 M38 E39 V40M1-F5 HydrophobicContact CG-CD2 4.31Å; M1-F5 PolarHBondContact O-N 3.42Å; F5-Q8 VanDerWaalsContact CD1-OE1 3.28Å; F5-Q8 PolarHBondContact O-N 3.13Å; F5-I9 HydrophobicContact CB-CD1 4.44Å; F5-I9 PolarHBondContact O-N 2.9Å; F5-F10 HydrophobicContact CB-CD2 3.94Å; F5-F10 HydrophobicContact CB-CE2 3.95Å; F5-F10 PolarHBondContact O-N 3.32Å; F5-M38 HydrophobicContact CB-SD 4.29Å; F5-M38 HydrophobicContact CD1-CG 4.33Å; F5-M38 HydrophobicContact CD1-SD 4.23Å; F5-M38 HydrophobicContact CD2-CB 4.39Å; F5-M38 HydrophobicContact CD2-CG 4.29Å; F5-M38 HydrophobicContact CD2-SD 3.67Å; F5-M38 HydrophobicContact CE1-CB 4.38Å; F5-M38 HydrophobicContact CE1-CG 4.13Å; F5-M38 HydrophobicContact CE2-CB 3.76Å; F5-M38 HydrophobicContact CE2-CG 4.07Å; F5-M38 HydrophobicContact CE2-SD 4.02Å; F5-M38 HydrophobicContact CG-CG 4.42Å; F5-M38 HydrophobicContact CG-SD 3.8Å; F5-M38 HydrophobicContact CZ-CB 3.77Å; F5-M38 HydrophobicContact CZ-CG 4Å; F5-M38 HydrophobicContact CZ-SD 4.46Å; F5-E39 WeakPolarHBondContact CZ-O 3.31Å; F5-V40 HydrophobicContact CD2-CG2 4.49Å; F5-V40 HydrophobicContact CE2-CG2 3.86Å
6K87.6Confident87.8Confident88 Ų8875.9 Ų75.938%0.38336%0.358SS..Iπ-helixtrans-57.5-54.2-176.4-168-172.7176.4-172.40111V2 Q8 F10 G11 D12V2-K6 WeakPolarHBondContact O-CA 3.45Å; V2-K6 PolarHBondContact O-N 3.05Å; K6-Q8 VanDerWaalsContact C-N 3.32Å; K6-Q8 PolarHBondContact O-N 2.76Å; K6-F10 PolarHBondContact O-N 3.48Å; K6-G11 WeakPolarHBondContact CE-O 3.06Å; K6-G11 WeakPolarHBondContact CG-O 3.47Å; K6-G11 VanDerWaalsContact O-CA 3.3Å; K6-G11 WeakPolarHBondContact O-CA 2.98Å; K6-G11 PolarHBondContact O-N 2.91Å; K6-D12 WeakPolarHBondContact CE-OD1 3.39Å; K6-D12 IonicContact NZ-OD1 3.12Å; K6-D12 PolarHBondContact NZ-OD1 3.38Å
7M86.8Confident88.2Confident179 Ų17977.4 Ų77.488%0.88236%0.36SS*.Iπ-helixtrans-69.1-28.7-175.9-65.1-60-66.500113.7
8Q85.1Confident88.4Confident140 Ų14075.7 Ų75.765%0.65435%0.354SS*.Iπ-helixtrans-89.8-39.4-172.3-67.4176.5-8.200113F5 K6F5-Q8 VanDerWaalsContact CD1-OE1 3.28Å; F5-Q8 PolarHBondContact O-N 3.13Å; K6-Q8 VanDerWaalsContact C-N 3.32Å; K6-Q8 PolarHBondContact O-N 2.76Å
9I88.3Confident88.4Confident14 Ų1474.6 Ų74.67%0.07237%0.365CS..Iπ-helixtrans-127-52.3-169.1-63.7172.6000111.3F5 L29 P30 I31 V36 M38F5-I9 HydrophobicContact CB-CD1 4.44Å; F5-I9 PolarHBondContact O-N 2.9Å; I9-L29 HydrophobicContact CG2-CD1 4.3Å; I9-L29 HydrophobicContact CG2-CD2 4.3Å; I9-P30 WeakPolarHBondContact O-CD 3.34Å; I9-P30 WeakPolarHBondContact O-CG 3.43Å; I9-I31 HydrophobicContact CG1-CG2 4.41Å; I9-I31 HydrophobicContact CG2-CG2 4.02Å; I9-V36 HydrophobicContact CD1-CG1 4.13Å; I9-M38 HydrophobicContact CD1-CE 4.28Å; I9-M38 HydrophobicContact CD1-CG 4.02Å; I9-M38 HydrophobicContact CD1-SD 3.4Å; I9-M38 WeakPolarHBondContact CD1-SD 3.36Å
10F90.8Very high88.6Confident0 Ų079.1 Ų79.10%038%0.383CS..Iπ-helixtrans-86.1-26.1-164.6-64.1-79000113.5M1 V2 F5 K6 D12 R13 P15 M23 L29 M38M1-F10 HydrophobicContact CE-CE1 4.27Å; M1-F10 HydrophobicContact CE-CE2 4.32Å; M1-F10 HydrophobicContact CE-CZ 3.64Å; M1-F10 HydrophobicContact CG-CE2 4.18Å; M1-F10 HydrophobicContact CG-CZ 4.36Å; M1-F10 HydrophobicContact SD-CZ 4.27Å; V2-F10 HydrophobicContact CG1-CB 4.11Å; V2-F10 HydrophobicContact CG1-CD1 4.41Å; V2-F10 HydrophobicContact CG1-CG 4.09Å; V2-F10 HydrophobicContact CG2-CD1 4.42Å; V2-F10 HydrophobicContact CG2-CE1 4.41Å; F5-F10 HydrophobicContact CB-CD2 3.94Å; F5-F10 HydrophobicContact CB-CE2 3.95Å; F5-F10 PolarHBondContact O-N 3.32Å; K6-F10 PolarHBondContact O-N 3.48Å; F10-D12 PolarHBondContact O-N 2.82Å; F10-R13 WeakPolarHBondContact O-CB 3.34Å; F10-R13 VanDerWaalsContact O-CG 3.31Å; F10-R13 WeakPolarHBondContact O-CG 3.46Å; F10-R13 PolarHBondContact O-N 3.37Å; F10-R13 PolarHBondContact O-NH1 2.87Å; F10-P15 HydrophobicContact CD1-CG 4.13Å; F10-P15 HydrophobicContact CE1-CG 4.28Å; F10-M23 HydrophobicContact CE1-CE 3.91Å; F10-M23 HydrophobicContact CE1-SD 3.9Å; F10-M23 HydrophobicContact CZ-CE 4.41Å; F10-M23 HydrophobicContact CZ-SD 4.45Å; F10-L29 HydrophobicContact CD1-CD2 4.1Å; F10-L29 HydrophobicContact CE1-CD1 4.27Å; F10-L29 HydrophobicContact CE1-CD2 4.49Å; F10-M38 HydrophobicContact CE2-SD 4.48Å
11G89.9Confident88.9Confident28 Ų2886.4 Ų86.429%0.28941%0.406SS..THydrogen-bonded Turntrans54-132.8-171.400000110.7K6K6-G11 WeakPolarHBondContact CE-O 3.06Å; K6-G11 WeakPolarHBondContact CG-O 3.47Å; K6-G11 VanDerWaalsContact O-CA 3.3Å; K6-G11 WeakPolarHBondContact O-CA 2.98Å; K6-G11 PolarHBondContact O-N 2.91Å
12D88.3Confident89.5Confident122 Ų12286.4 Ų86.465%0.65241%0.408SS*.THydrogen-bonded Turntrans-88.4-0.9174.2-65.8-47.4000114.3K6 F10 Q14K6-D12 WeakPolarHBondContact CE-OD1 3.39Å; K6-D12 IonicContact NZ-OD1 3.12Å; K6-D12 PolarHBondContact NZ-OD1 3.38Å; F10-D12 PolarHBondContact O-N 2.82Å; D12-Q14 PolarHBondContact O-NE2 2.8Å
13R90.9Very high90.1Very high67 Ų6786.8 Ų86.825%0.25341%0.407SS..  trans-63.3142.3-176-59.2168.3-17871.8-1.3111.7F10 P15 H27 P28 E321F10-R13 WeakPolarHBondContact O-CB 3.34Å; F10-R13 VanDerWaalsContact O-CG 3.31Å; F10-R13 WeakPolarHBondContact O-CG 3.46Å; F10-R13 PolarHBondContact O-N 3.37Å; F10-R13 PolarHBondContact O-NH1 2.87Å; R13-P15 VanDerWaalsContact O-CD 3.26Å; R13-P15 WeakPolarHBondContact O-CD 3.49Å; R13-H27 PolarHBondContact NE-O 3.41Å; R13-P28 VanDerWaalsContact CZ-O 3.29Å; R13-P28 PolarHBondContact NE-O 3.42Å; R13-P28 PolarHBondContact NH2-O 2.96Å; R13-E321 WeakPolarHBondContact CA-OE1 3.35Å
14Q91.4Very high90.7Very high60 Ų6076.9 Ų76.928%0.2837%0.37SS..  trans-110.988.9177-60.6-56.2-4400110.6D12 Y318 E321D12-Q14 PolarHBondContact O-NE2 2.8Å; Q14-Y318 HydrophobicContact CB-CD1 3.68Å; Q14-Y318 HydrophobicContact CB-CE1 3.85Å; Q14-Y318 HydrophobicContact CB-CG 4.5Å; Q14-E321 HydrophobicContact CB-CB 4.19Å; Q14-E321 HydrophobicContact CB-CG 4.16Å; Q14-E321 PolarHBondContact N-OE1 2.82Å
15P93.8Very high91.3Very high4 Ų472.2 Ų72.23%0.02635%0.351CS..  trans-69.4140.2-176.826.3-33.3000112.5V2 F10 R13 M23 Y24 T25V2-P15 HydrophobicContact CG1-CG 4.27Å; V2-P15 HydrophobicContact CG2-CG 3.63Å; F10-P15 HydrophobicContact CD1-CG 4.13Å; F10-P15 HydrophobicContact CE1-CG 4.28Å; R13-P15 VanDerWaalsContact O-CD 3.26Å; R13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-M23 HydrophobicContact CB-CG 3.68Å; P15-M23 HydrophobicContact CB-SD 3.8Å; P15-M23 HydrophobicContact CG-SD 4.17Å; P15-Y24 CarbonylContact C-O 3.58Å; P15-Y24 WeakPolarHBondContact CA-O 3.4Å; P15-Y24 WeakPolarHBondContact CB-O 3.36Å; P15-T25 HydrophobicContact CB-CG2 3.86Å
16G94.1Very high91.7Very high0 Ų072.9 Ų72.90%036%0.362CS..EExtended strand (participates in β ladder)trans-84.2137.5165.100000110.6M23 Y24G16-M23 CarbonylContact O-C 3.59Å; G16-M23 VanDerWaalsContact O-CA 3.26Å; G16-M23 WeakPolarHBondContact O-CA 3.36Å; G16-Y24 PolarHBondContact N-O 3.3Å; G16-Y24 PolarHBondContact O-N 3.34Å
17Y94.6Very high92Very high101 Ų10174.2 Ų74.240%0.39637%0.369SS..EExtended strand (participates in β ladder)trans-137135.4-176.8179.7-123.4000112.2G19 K20 N22 M23 H91Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 3.39Å; Y17-K20 PolarHBondContact OH-N 2.88Å; Y17-K20 PolarHBondContact OH-O 3.18Å; Y17-N22 WeakPolarHBondContact CD2-O 3.31Å; Y17-M23 HydrophobicContact CD2-CB 4.14Å; Y17-H91 PolarHBondContact N-ND1 3.13Å; Y17-H91 VanDerWaalsContact N-ND1 3.1Å; Y17-H91 PolarHBondContact O-ND1 2.82Å
18D91.1Very high92.3Very high47 Ų4770.9 Ų70.925%0.25136%0.36SS..  trans-82-1.4-176.277.4-17.9000114.5K20 R21 N22 V87D18-K20 VanDerWaalsContact C-N 3.26Å; D18-K20 PolarHBondContact O-N 2.68Å; D18-K20 WeakPolarHBondContact OD1-CA 3.38Å; D18-K20 PolarHBondContact OD1-N 2.89Å; D18-R21 PolarHBondContact OD1-N 2.84Å; D18-N22 HydrophobicContact CB-CB 4.39Å; D18-N22 PolarHBondContact N-O 2.77Å; D18-N22 VanDerWaalsContact N-O 3.09Å; D18-N22 PolarHBondContact OD1-N 3.19Å; D18-N22 PolarHBondContact OD2-ND2 2.98Å; D18-V87 HydrophobicContact CB-CG1 4.04Å; D18-V87 HydrophobicContact CB-CG2 3.71Å
19G89.9Confident92.7Very high55 Ų5565.4 Ų65.457%0.56734%0.336SS*.SBendtrans80.43-176.200000114.2Y17Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 3.39Å
20K91.9Very high92.8Very high165 Ų16569 Ų6972%0.71736%0.36SS*.SBendtrans-128.8-76.8-175.7-63.1-178.8-178.8175.80113.3Y17 D18Y17-K20 PolarHBondContact OH-N 2.88Å; Y17-K20 PolarHBondContact OH-O 3.18Å; D18-K20 VanDerWaalsContact C-N 3.26Å; D18-K20 PolarHBondContact O-N 2.68Å; D18-K20 WeakPolarHBondContact OD1-CA 3.38Å; D18-K20 PolarHBondContact OD1-N 2.89Å
21R93.8Very high92.8Very high232 Ų23270.2 Ų70.288%0.87537%0.366SS*.SBendtrans-145.3-11.8-168.6-67.4-171-179.2-175.4-0.6113.7D18D18-R21 PolarHBondContact OD1-N 2.84Å
22N95.3Very high92.8Very high65 Ų6571.3 Ų71.335%0.34838%0.378SS..  trans-110.6122.5-174.6-56-65.6000110.1Y17 D18 Y24Y17-N22 WeakPolarHBondContact CD2-O 3.31Å; D18-N22 HydrophobicContact CB-CB 4.39Å; D18-N22 PolarHBondContact N-O 2.77Å; D18-N22 VanDerWaalsContact N-O 3.09Å; D18-N22 PolarHBondContact OD1-N 3.19Å; D18-N22 PolarHBondContact OD2-ND2 2.98Å; N22-Y24 HydrophobicContact CB-CE2 3.89Å
23M95.8Very high92.9Very high50 Ų5074 Ų7425%0.24638%0.379CS..EExtended strand (participates in β ladder)trans-125.2134.1175.8-175.5179.96600108.8M1 F10 P15 G16 Y17 L29 V55M1-M23 HydrophobicContact CE-SD 4Å; F10-M23 HydrophobicContact CE1-CE 3.91Å; F10-M23 HydrophobicContact CE1-SD 3.9Å; F10-M23 HydrophobicContact CZ-CE 4.41Å; F10-M23 HydrophobicContact CZ-SD 4.45Å; P15-M23 HydrophobicContact CB-CG 3.68Å; P15-M23 HydrophobicContact CB-SD 3.8Å; P15-M23 HydrophobicContact CG-SD 4.17Å; G16-M23 CarbonylContact O-C 3.59Å; G16-M23 VanDerWaalsContact O-CA 3.26Å; G16-M23 WeakPolarHBondContact O-CA 3.36Å; Y17-M23 HydrophobicContact CD2-CB 4.14Å; M23-L29 HydrophobicContact CE-CD1 3.84Å; M23-V55 HydrophobicContact CE-CG1 3.85Å; M23-V55 HydrophobicContact CE-CG2 4.3Å
24Y96.6Very high92.8Very high36 Ų3676.9 Ų76.914%0.14140%0.399CS..EExtended strand (participates in β ladder)trans-118.8144.5-178.1-56.7-89.7000109.6P15 G16 N22 V61 A84 V87 F322P15-Y24 CarbonylContact C-O 3.58Å; P15-Y24 WeakPolarHBondContact CA-O 3.4Å; P15-Y24 WeakPolarHBondContact CB-O 3.36Å; G16-Y24 PolarHBondContact N-O 3.3Å; G16-Y24 PolarHBondContact O-N 3.34Å; N22-Y24 HydrophobicContact CB-CE2 3.89Å; Y24-V61 HydrophobicContact CE1-CG2 4.16Å; Y24-A84 HydrophobicContact CD1-CB 3.77Å; Y24-A84 HydrophobicContact CE1-CB 3.58Å; Y24-A84 HydrophobicContact CG-CB 4.35Å; Y24-V87 HydrophobicContact CD2-CB 4.08Å; Y24-V87 HydrophobicContact CD2-CG1 3.76Å; Y24-V87 HydrophobicContact CE2-CB 3.84Å; Y24-V87 HydrophobicContact CE2-CG1 3.82Å; Y24-V87 HydrophobicContact CE2-CG2 3.98Å; Y24-F322 WeakPolarHBondContact O-CZ 3.34Å
25T96.3Very high92.9Very high40 Ų4081.3 Ų81.325%0.24541%0.413CS..  trans-136140.4175.451.60000109.5P15 H27 L29P15-T25 HydrophobicContact CB-CG2 3.86Å; T25-H27 VanDerWaalsContact C-N 3.27Å; T25-H27 WeakPolarHBondContact CB-O 3.42Å; T25-H27 PolarHBondContact O-N 3.02Å; T25-H27 PolarHBondContact OG1-O 3.03Å; T25-L29 HydrophobicContact CG2-CD1 4.33Å; T25-L29 HydrophobicContact CG2-CD2 4.08Å; T25-L29 HydrophobicContact CG2-CG 4.11Å
26A94.4Very high92.8Very high38 Ų3883.2 Ų83.231%0.31443%0.425SS..SBendtrans-65.4-32.9177.600000112.5E321 F322A26-E321 HydrophobicContact CB-CG 4.09Å; A26-E321 WeakPolarHBondContact CB-O 3.38Å; A26-F322 HydrophobicContact CB-CD1 4.07Å; A26-F322 HydrophobicContact CB-CE1 4.24Å; A26-F322 HydrophobicContact CB-CG 4.28Å
27H92.4Very high92.8Very high116 Ų11688.2 Ų88.254%0.53745%0.451SS..SBendtrans-121.8148.8176.9-59.8-59.4000111.4R13 T25R13-H27 PolarHBondContact NE-O 3.41Å; T25-H27 VanDerWaalsContact C-N 3.27Å; T25-H27 WeakPolarHBondContact CB-O 3.42Å; T25-H27 PolarHBondContact O-N 3.02Å; T25-H27 PolarHBondContact OG1-O 3.03Å
28P93.4Very high92.6Very high108 Ų10883.9 Ų83.970%0.70144%0.435SS*.  trans-53.9142.3178.4-26.134.3000113R13R13-P28 VanDerWaalsContact CZ-O 3.29Å; R13-P28 PolarHBondContact NE-O 3.42Å; R13-P28 PolarHBondContact NH2-O 2.96Å
29L93.4Very high92.6Very high26 Ų2686.9 Ų86.914%0.13645%0.447CS..  trans-80148.4170.6-67.9177.6000110.5I9 F10 M23 T25 I31 V55I9-L29 HydrophobicContact CG2-CD1 4.3Å; I9-L29 HydrophobicContact CG2-CD2 4.3Å; F10-L29 HydrophobicContact CD1-CD2 4.1Å; F10-L29 HydrophobicContact CE1-CD1 4.27Å; F10-L29 HydrophobicContact CE1-CD2 4.49Å; M23-L29 HydrophobicContact CE-CD1 3.84Å; T25-L29 HydrophobicContact CG2-CD1 4.33Å; T25-L29 HydrophobicContact CG2-CD2 4.08Å; T25-L29 HydrophobicContact CG2-CG 4.11Å; L29-I31 HydrophobicContact CB-CD1 4.2Å; L29-I31 HydrophobicContact CB-CG1 3.96Å; L29-I31 HydrophobicContact CB-CG2 4.38Å; L29-I31 HydrophobicContact CD1-CD1 4.28Å; L29-I31 PolarHBondContact O-N 2.98Å; L29-V55 HydrophobicContact CD1-CG1 4.45Å
30P91.6Very high92.5Very high89 Ų8984.8 Ų84.858%0.57842%0.423SS*.THydrogen-bonded Turntrans-78.448.1-179.936.4-37.2000112.1I9I9-P30 WeakPolarHBondContact O-CD 3.34Å; I9-P30 WeakPolarHBondContact O-CG 3.43Å
31I89.9Confident92.3Very high25 Ų2580.4 Ų80.413%0.12841%0.411CS..THydrogen-bonded Turntrans-117.5-3.6-176.464.8174.9000113.4I9 L29 V36 V55I9-I31 HydrophobicContact CG1-CG2 4.41Å; I9-I31 HydrophobicContact CG2-CG2 4.02Å; L29-I31 HydrophobicContact CB-CD1 4.2Å; L29-I31 HydrophobicContact CB-CG1 3.96Å; L29-I31 HydrophobicContact CB-CG2 4.38Å; L29-I31 HydrophobicContact CD1-CD1 4.28Å; L29-I31 PolarHBondContact O-N 2.98Å; I31-V36 HydrophobicContact CB-CG2 3.79Å; I31-V36 HydrophobicContact CG2-CG2 3.91Å; I31-V55 HydrophobicContact CD1-CG1 3.73Å
32G90Very high91.8Very high52 Ų5273.5 Ų73.554%0.53639%0.391SS..THydrogen-bonded Turntrans65.3-141.1-173.100000112.2
33R90.9Very high91.1Very high178 Ų17876 Ų7667%0.67241%0.41SS*.THydrogen-bonded Turntrans-104.5-7.9174.8-64.9-170.8177.4-173.90.1113.5W57R33-W57 HydrophobicContact CB-CE3 4.28Å; R33-W57 HydrophobicContact CG-CD2 4.28Å; R33-W57 HydrophobicContact CG-CE3 3.73Å; R33-W57 HydrophobicContact CG-CZ3 4.13Å
34D88.4Confident89.5Confident128 Ų12874.8 Ų74.868%0.68441%0.411SS*.SBendtrans-77.6156.8-175.5-62.9-41000111.5
35R92.6Very high87.7Confident152 Ų15277.9 Ų77.957%0.57443%0.426SS*.  trans-75.1126.5175176.6-178.4170.4172.45.1109.3D37 S54 Q56R35-D37 IonicContact CZ-OD1 3.61Å; R35-D37 IonicContact NE-OD1 2.89Å; R35-D37 PolarHBondContact NE-OD1 2.89Å; R35-D37 IonicContact NE-OD2 3.92Å; R35-D37 IonicContact NH2-OD1 3.58Å; R35-S54 VanDerWaalsContact NE-CB 3.28Å; R35-S54 PolarHBondContact NE-OG 3.24Å; R35-S54 VanDerWaalsContact NE-OG 3.14Å; R35-S54 PolarHBondContact NH2-OG 3.36Å; R35-Q56 HydrophobicContact CB-CB 4.29Å; R35-Q56 HydrophobicContact CB-CG 4.34Å
36V92.7Very high86.2Confident44 Ų4478.4 Ų78.427%0.26744%0.44SS..EExtended strand (participates in β ladder)trans-108.7119.6173.4-178.80000109.3I9 I31 S54 V55I9-V36 HydrophobicContact CD1-CG1 4.13Å; I31-V36 HydrophobicContact CB-CG2 3.79Å; I31-V36 HydrophobicContact CG2-CG2 3.91Å; V36-S54 WeakPolarHBondContact O-CA 3.49Å; V36-V55 PolarHBondContact N-O 2.91Å; V36-V55 PolarHBondContact O-N 3.35Å
37D93.1Very high85.3Confident105 Ų10585.1 Ų85.156%0.56146%0.462SS*.EExtended strand (participates in β ladder)trans-93.2135.5175.8-69.3-21.6000110.6R35 S54R35-D37 IonicContact CZ-OD1 3.61Å; R35-D37 IonicContact NE-OD1 2.89Å; R35-D37 PolarHBondContact NE-OD1 2.89Å; R35-D37 IonicContact NE-OD2 3.92Å; R35-D37 IonicContact NH2-OD1 3.58Å; D37-S54 WeakPolarHBondContact OD1-CB 3.49Å; D37-S54 PolarHBondContact OD1-OG 3.1Å
38M90.6Very high84.9Confident11 Ų1184.6 Ų84.65%0.05446%0.463CS..EExtended strand (participates in β ladder)trans-130.8148-178.9-69173.1-80.800109.9M1 F5 I9 F10 K52 V53 V55M1-M38 HydrophobicContact CG-SD 4.4Å; M1-M38 HydrophobicContact SD-CE 4.12Å; F5-M38 HydrophobicContact CB-SD 4.29Å; F5-M38 HydrophobicContact CD1-CG 4.33Å; F5-M38 HydrophobicContact CD1-SD 4.23Å; F5-M38 HydrophobicContact CD2-CB 4.39Å; F5-M38 HydrophobicContact CD2-CG 4.29Å; F5-M38 HydrophobicContact CD2-SD 3.67Å; F5-M38 HydrophobicContact CE1-CB 4.38Å; F5-M38 HydrophobicContact CE1-CG 4.13Å; F5-M38 HydrophobicContact CE2-CB 3.76Å; F5-M38 HydrophobicContact CE2-CG 4.07Å; F5-M38 HydrophobicContact CE2-SD 4.02Å; F5-M38 HydrophobicContact CG-CG 4.42Å; F5-M38 HydrophobicContact CG-SD 3.8Å; F5-M38 HydrophobicContact CZ-CB 3.77Å; F5-M38 HydrophobicContact CZ-CG 4Å; F5-M38 HydrophobicContact CZ-SD 4.46Å; I9-M38 HydrophobicContact CD1-CE 4.28Å; I9-M38 HydrophobicContact CD1-CG 4.02Å; I9-M38 HydrophobicContact CD1-SD 3.4Å; I9-M38 WeakPolarHBondContact CD1-SD 3.36Å; F10-M38 HydrophobicContact CE2-SD 4.48Å; M38-K52 CarbonylContact O-C 3.53Å; M38-K52 WeakPolarHBondContact O-CA 3.35Å; M38-V53 PolarHBondContact N-O 3.2Å; M38-V53 PolarHBondContact O-N 3.41Å; M38-V55 HydrophobicContact CE-CB 3.92Å; M38-V55 HydrophobicContact CE-CG2 3.28Å
39E92Very high84.4Confident110 Ų11084.8 Ų84.851%0.51446%0.455SS..EExtended strand (participates in β ladder)trans-106.8121.8172.4-159.4160.914500109.3F5 T50 F51F5-E39 WeakPolarHBondContact CZ-O 3.31Å; E39-T50 HydrophobicContact CG-CG2 3.32Å; E39-T50 WeakPolarHBondContact OE1-CG2 3.4Å; E39-F51 WeakPolarHBondContact CA-O 3.14Å
40V88.5Confident84.2Confident10 Ų1087.1 Ų87.16%0.06147%0.47CS..EExtended strand (participates in β ladder)trans-119.6114.2-177.9-178.90000108.5M1 F5 L42 F51 V53M1-V40 HydrophobicContact CB-CG2 3.96Å; M1-V40 HydrophobicContact CG-CG2 4.05Å; F5-V40 HydrophobicContact CD2-CG2 4.49Å; F5-V40 HydrophobicContact CE2-CG2 3.86Å; V40-L42 HydrophobicContact CG1-CD2 4.25Å; V40-L42 HydrophobicContact CG1-CG 4.43Å; V40-F51 PolarHBondContact N-O 2.97Å; V40-F51 PolarHBondContact O-N 2.89Å; V40-V53 HydrophobicContact CB-CG2 4.36Å; V40-V53 HydrophobicContact CG2-CG2 3.97Å
41T87.8Confident84.2Confident74 Ų7487 Ų8745%0.45446%0.461SS..EExtended strand (participates in β ladder)trans-92.3123172.8-53.80000109.8D48 Q49T41-D48 HydrophobicContact CG2-CB 3.65Å; T41-Q49 WeakPolarHBondContact CA-O 3.4Å
42L83.1Confident84.3Confident87 Ų8794.5 Ų94.546%0.45549%0.492SS..EExtended strand (participates in β ladder)trans-105.4140.3172.2-65.3179.1000109.6V40 G44 Q49 F51V40-L42 HydrophobicContact CG1-CD2 4.25Å; V40-L42 HydrophobicContact CG1-CG 4.43Å; L42-G44 PolarHBondContact O-N 3.06Å; L42-Q49 PolarHBondContact N-O 2.74Å; L42-Q49 PolarHBondContact O-N 3.45Å; L42-F51 HydrophobicContact CB-CE2 4.3Å; L42-F51 HydrophobicContact CD1-CD2 4.15Å; L42-F51 HydrophobicContact CD1-CE2 3.87Å; L42-F51 HydrophobicContact CG-CD2 4.3Å; L42-F51 HydrophobicContact CG-CE2 4.26Å
43P79.1Confident84.4Confident116 Ų11694 Ų9475%0.75348%0.479SS*.  trans-63.312217426.5-32.4000109.1
44G63.4Low84.5Confident25 Ų2588 Ų8826%0.25846%0.464SS..  trans-99.8163.1177.700000112.4L42 G46 K47L42-G44 PolarHBondContact O-N 3.06Å; G44-G46 PolarHBondContact O-N 3.44Å; G44-K47 VanDerWaalsContact CA-O 3.31Å; G44-K47 WeakPolarHBondContact CA-O 3.31Å
45E59.1Low84.8Confident101 Ų10182.7 Ų82.747%0.47244%0.436SS..SBendtrans-73.575.7172.1-69174.3-178.400109.9K201E45-K201 WeakPolarHBondContact OE1-CE 3.35Å; E45-K201 IonicContact OE1-NZ 2.81Å; E45-K201 PolarHBondContact OE1-NZ 3.19Å
46G63.1Low84.9Confident51 Ų5181 Ų8153%0.52644%0.435SS..SBendtrans118.4-32.7173.800000115.4G44G44-G46 PolarHBondContact O-N 3.44Å
47K76.4Confident85.1Confident179 Ų17983.8 Ų83.878%0.77844%0.441SS*.SBendtrans-142.6136.7170.9-162.4178.6-174.1179.90109.3G44G44-K47 VanDerWaalsContact CA-O 3.31Å; G44-K47 WeakPolarHBondContact CA-O 3.31Å
48D83Confident85.2Confident105 Ų10584.4 Ų84.456%0.56145%0.448SS*.  trans-57.3140.1175.3-70.9-10.5000111.1T41T41-D48 HydrophobicContact CG2-CB 3.65Å
49Q84.4Confident85.4Confident112 Ų11287.3 Ų87.352%0.52347%0.469SS..EExtended strand (participates in β ladder)trans-108.2116.5178.9-70.2-1734.500109.6T41 L42 F51T41-Q49 WeakPolarHBondContact CA-O 3.4Å; L42-Q49 PolarHBondContact N-O 2.74Å; L42-Q49 PolarHBondContact O-N 3.45Å; Q49-F51 HydrophobicContact CB-CD2 4.44Å; Q49-F51 HydrophobicContact CB-CE2 3.59Å; Q49-F51 HydrophobicContact CB-CZ 4.03Å; Q49-F51 WeakPolarHBondContact O-CD2 3.44Å
50T88.9Confident85.6Confident75 Ų7587.6 Ų87.646%0.4648%0.479SS..EExtended strand (participates in β ladder)trans-95.4127.7178.6-540000110.3E39E39-T50 HydrophobicContact CG-CG2 3.32Å; E39-T50 WeakPolarHBondContact OE1-CG2 3.4Å
51F90.6Very high86Confident87 Ų8789 Ų8938%0.38249%0.487SS..EExtended strand (participates in β ladder)trans-116.8135.7179.1-63.6-90.9000110.1E39 V40 L42 Q49 V53E39-F51 WeakPolarHBondContact CA-O 3.14Å; V40-F51 PolarHBondContact N-O 2.97Å; V40-F51 PolarHBondContact O-N 2.89Å; L42-F51 HydrophobicContact CB-CE2 4.3Å; L42-F51 HydrophobicContact CD1-CD2 4.15Å; L42-F51 HydrophobicContact CD1-CE2 3.87Å; L42-F51 HydrophobicContact CG-CD2 4.3Å; L42-F51 HydrophobicContact CG-CE2 4.26Å; Q49-F51 HydrophobicContact CB-CD2 4.44Å; Q49-F51 HydrophobicContact CB-CE2 3.59Å; Q49-F51 HydrophobicContact CB-CZ 4.03Å; Q49-F51 WeakPolarHBondContact O-CD2 3.44Å; F51-V53 HydrophobicContact CB-CG2 4.3Å
52K92.8Very high86.3Confident182 Ų18287.5 Ų87.579%0.79148%0.479SS*.EExtended strand (participates in β ladder)trans-88.9120.1165.1-65.2-172177.5-171.70108.7M38M38-K52 CarbonylContact O-C 3.53Å; M38-K52 WeakPolarHBondContact O-CA 3.35Å
53V92.8Very high86.8Confident43 Ų4386.9 Ų86.926%0.26148%0.476SS..EExtended strand (participates in β ladder)trans-118.9128-177.2-176.30000108.7M1 M38 V40 F51M1-V53 HydrophobicContact SD-CG1 3.81Å; M38-V53 PolarHBondContact N-O 3.2Å; M38-V53 PolarHBondContact O-N 3.41Å; V40-V53 HydrophobicContact CB-CG2 4.36Å; V40-V53 HydrophobicContact CG2-CG2 3.97Å; F51-V53 HydrophobicContact CB-CG2 4.3Å
54S93.3Very high87.5Confident50 Ų5086.6 Ų86.635%0.3547%0.465SS..EExtended strand (participates in β ladder)trans-112.5129.1179.3-55.20000109.9R35 V36 D37R35-S54 VanDerWaalsContact NE-CB 3.28Å; R35-S54 PolarHBondContact NE-OG 3.24Å; R35-S54 VanDerWaalsContact NE-OG 3.14Å; R35-S54 PolarHBondContact NH2-OG 3.36Å; V36-S54 WeakPolarHBondContact O-CA 3.49Å; D37-S54 WeakPolarHBondContact OD1-CB 3.49Å; D37-S54 PolarHBondContact OD1-OG 3.1Å
55V93.9Very high89Confident18 Ų1889.1 Ų89.111%0.10947%0.472CS..EExtended strand (participates in β ladder)trans-115.5128.6175176.20000108.5M23 L29 I31 V36 M38M23-V55 HydrophobicContact CE-CG1 3.85Å; M23-V55 HydrophobicContact CE-CG2 4.3Å; L29-V55 HydrophobicContact CD1-CG1 4.45Å; I31-V55 HydrophobicContact CD1-CG1 3.73Å; V36-V55 PolarHBondContact N-O 2.91Å; V36-V55 PolarHBondContact O-N 3.35Å; M38-V55 HydrophobicContact CE-CB 3.92Å; M38-V55 HydrophobicContact CE-CG2 3.28Å
56Q95.2Very high90.6Very high116 Ų11684.5 Ų84.554%0.54245%0.45SS..  trans-137.8135.9179.1-174.1178.10.800108.7R35R35-Q56 HydrophobicContact CB-CB 4.29Å; R35-Q56 HydrophobicContact CB-CG 4.34Å
57W96.1Very high92Very high102 Ų10286.6 Ų86.639%0.38645%0.449SS..  trans-68137.4172.7176.988.1000110.3R33 V60R33-W57 HydrophobicContact CB-CE3 4.28Å; R33-W57 HydrophobicContact CG-CD2 4.28Å; R33-W57 HydrophobicContact CG-CE3 3.73Å; R33-W57 HydrophobicContact CG-CZ3 4.13Å; W57-V60 HydrophobicContact CZ2-CG2 4.16Å
58V95.4Very high92.7Very high119 Ų11980.9 Ų80.972%0.72143%0.425SS*.  trans-118.2-57.3-176.5179.50000111.4
59S95.1Very high93.1Very high71 Ų7176 Ų7650%0.49740%0.399SS..  trans-155.1169.3-175.962.70000112
60V95.7Very high93.4Very high117 Ų11771.2 Ų71.271%0.70938%0.377SS*.  trans-101.9128.4164.9175.60000107.8W57W57-V60 HydrophobicContact CZ2-CG2 4.16Å
61V96.5Very high93.3Very high38 Ų3870.6 Ų70.623%0.2338%0.38CS..  trans-93.8123.5174.8177.60000108.5Y24 S81 A84Y24-V61 HydrophobicContact CE1-CG2 4.16Å; V61-S81 VanDerWaalsContact CG1-CA 3.49Å; V61-S81 WeakPolarHBondContact CG1-OG 3.41Å; V61-A84 HydrophobicContact CG1-CB 4.07Å
62S95.1Very high93.1Very high43 Ų4368.8 Ų68.830%0.30139%0.386SS..  trans-97.3102.5-175.5-175.80000111.9Q64 L65 L66 S81S62-Q64 PolarHBondContact O-N 3.45Å; S62-L65 PolarHBondContact O-N 3.02Å; S62-L65 PolarHBondContact OG-N 3.43Å; S62-L66 PolarHBondContact O-N 2.86Å; S62-S81 PolarHBondContact O-OG 3.01Å
63L93.9Very high92.8Very high75 Ų7567 Ų6739%0.39338%0.38SS..Hα-helixtrans-66.8-21.1171.2-60.8-175.9000112.5L66 L67 L85L63-L66 HydrophobicContact CD2-CD2 4.31Å; L63-L66 WeakPolarHBondContact O-CB 3.49Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 2.9Å; L63-L85 HydrophobicContact CD2-CD1 4.32Å; L63-L85 HydrophobicContact CD2-CD2 4.23Å; L63-L85 HydrophobicContact CD2-CG 4.18Å
64Q93.6Very high92.5Very high110 Ų11067.6 Ų67.651%0.51438%0.381SS..Hα-helixtrans-64.6-43.5173.9179.159.730.800111.5S62 L66 L67 E68S62-Q64 PolarHBondContact O-N 3.45Å; Q64-L66 VanDerWaalsContact C-N 3.27Å; Q64-L66 PolarHBondContact O-N 2.88Å; Q64-L67 PolarHBondContact O-N 3.21Å; Q64-E68 PolarHBondContact NE2-OE1 2.98Å; Q64-E68 WeakPolarHBondContact O-CG 3.44Å; Q64-E68 PolarHBondContact O-N 3.15Å
65L93.3Very high91.8Very high77 Ų7772.4 Ų72.440%0.40340%0.403SS..Hα-helixtrans-63.3-36.6174.9-68.2177.8000111.3S62 E68 A69 L74 P78S62-L65 PolarHBondContact O-N 3.02Å; S62-L65 PolarHBondContact OG-N 3.43Å; L65-E68 PolarHBondContact O-N 3.06Å; L65-A69 PolarHBondContact O-N 2.82Å; L65-L74 HydrophobicContact CB-CD1 4.24Å; L65-L74 HydrophobicContact CD2-CD1 4.16Å; L65-L74 WeakPolarHBondContact O-CD1 3.3Å; L65-P78 HydrophobicContact CB-CG 4.03Å
66L93.4Very high91.5Very high4 Ų478.1 Ų78.12%0.02143%0.428CS..Hα-helixtrans-61.3-46.1173.7178.561.8000111.2S62 L63 Q64 E68 A69 L70 V77 V82 L85 M136S62-L66 PolarHBondContact O-N 2.86Å; L63-L66 HydrophobicContact CD2-CD2 4.31Å; L63-L66 WeakPolarHBondContact O-CB 3.49Å; L63-L66 PolarHBondContact O-N 3.32Å; Q64-L66 VanDerWaalsContact C-N 3.27Å; Q64-L66 PolarHBondContact O-N 2.88Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.44Å; L66-A69 PolarHBondContact O-N 3.44Å; L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.34Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 3.22Å; L66-V77 HydrophobicContact CD1-CG1 3.7Å; L66-V82 HydrophobicContact CD1-CG2 4.05Å; L66-L85 HydrophobicContact CD2-CD1 3.53Å; L66-M136 HydrophobicContact CD1-SD 3.94Å; L66-M136 HydrophobicContact CD2-CE 4.42Å; L66-M136 HydrophobicContact CD2-CG 4.11Å; L66-M136 HydrophobicContact CD2-SD 3.85Å; L66-M136 HydrophobicContact CG-SD 4.15Å
67L91.9Very high91.2Very high96 Ų9673.5 Ų73.550%0.50341%0.408SS..Hα-helixtrans-61.9-39.9177.2-67.1173.6000112.3L63 Q64 L70 A71L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 2.9Å; Q64-L67 PolarHBondContact O-N 3.21Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-A71 WeakPolarHBondContact O-CB 3.36Å; L67-A71 PolarHBondContact O-N 3.28Å
68E91.8Very high91Very high59 Ų5969.8 Ų69.828%0.27640%0.397SS..Hα-helixtrans-64.1-39.1174.8-73.6168.5-162.500112.3Q64 L65 L66 A71 G72 H73 L74Q64-E68 PolarHBondContact NE2-OE1 2.98Å; Q64-E68 WeakPolarHBondContact O-CG 3.44Å; Q64-E68 PolarHBondContact O-N 3.15Å; L65-E68 PolarHBondContact O-N 3.06Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 3.44Å; E68-A71 PolarHBondContact O-N 3.18Å; E68-G72 PolarHBondContact O-N 2.74Å; E68-H73 HydrophobicContact CB-CB 4.33Å; E68-H73 WeakPolarHBondContact O-CB 3.47Å; E68-H73 PolarHBondContact O-N 3.06Å; E68-L74 HydrophobicContact CB-CD1 4.08Å; E68-L74 HydrophobicContact CB-CG 4.05Å
69A91.1Very high90.8Very high1 Ų170.6 Ų70.61%0.00840%0.397CS..Hα-helixtrans-65.6-41.117400000112.6L65 L66 A71 G72 L74 V77L65-A69 PolarHBondContact O-N 2.82Å; L66-A69 PolarHBondContact O-N 3.44Å; A69-A71 VanDerWaalsContact C-N 3.3Å; A69-A71 PolarHBondContact O-N 2.84Å; A69-G72 PolarHBondContact O-N 3.2Å; A69-L74 HydrophobicContact CB-CB 4Å; A69-L74 HydrophobicContact CB-CD1 4.23Å; A69-V77 HydrophobicContact CB-CG2 4.41Å
70L90.5Very high90.7Very high13 Ų1370.5 Ų70.57%0.06839%0.392CS..Hα-helixtrans-65.8-34176.4-63.7174.1000112L66 L67 G72 P131 A132 M136 P678L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.34Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 3.22Å; L67-L70 PolarHBondContact O-N 2.78Å; L70-G72 PolarHBondContact O-N 2.91Å; L70-P131 HydrophobicContact CD2-CB 3.75Å; L70-A132 WeakPolarHBondContact CD2-O 3.46Å; L70-M136 HydrophobicContact CD1-CG 3.88Å; L70-M136 HydrophobicContact CD1-SD 3.82Å; L70-M136 HydrophobicContact CD2-SD 4.05Å; L70-M136 HydrophobicContact CG-SD 4.44Å; L70-P678 HydrophobicContact CD2-CG 4.34Å
71A88.3Confident90.7Very high62 Ų6265 Ų6551%0.51236%0.358SS..THydrogen-bonded Turntrans-73.2-3.8173.300000113.7L67 E68 A69 H73L67-A71 WeakPolarHBondContact O-CB 3.36Å; L67-A71 PolarHBondContact O-N 3.28Å; E68-A71 PolarHBondContact O-N 3.18Å; A69-A71 VanDerWaalsContact C-N 3.3Å; A69-A71 PolarHBondContact O-N 2.84Å; A71-H73 VanDerWaalsContact C-N 3.32Å
72G85Confident90.5Very high49 Ų4964.3 Ų64.351%0.50535%0.354SS..THydrogen-bonded Turntrans77.612.4-177.900000114.4E68 A69 L70E68-G72 PolarHBondContact O-N 2.74Å; A69-G72 PolarHBondContact O-N 3.2Å; L70-G72 PolarHBondContact O-N 2.91Å
73H87.1Confident90.5Very high145 Ų14566.6 Ų66.667%0.67136%0.36SS*.SBendtrans-79.8-19.2176.4-58.8156.4000112.9E68 A71E68-H73 HydrophobicContact CB-CB 4.33Å; E68-H73 WeakPolarHBondContact O-CB 3.47Å; E68-H73 PolarHBondContact O-N 3.06Å; A71-H73 VanDerWaalsContact C-N 3.32Å
74L86.3Confident90.6Very high55 Ų5563.2 Ų63.229%0.28834%0.343SS..SBendtrans-114.5146.7173.2-56.7179000110.7L65 E68 A69L65-L74 HydrophobicContact CB-CD1 4.24Å; L65-L74 HydrophobicContact CD2-CD1 4.16Å; L65-L74 WeakPolarHBondContact O-CD1 3.3Å; E68-L74 HydrophobicContact CB-CD1 4.08Å; E68-L74 HydrophobicContact CB-CG 4.05Å; A69-L74 HydrophobicContact CB-CB 4Å; A69-L74 HydrophobicContact CB-CD1 4.23Å
75N79.3Confident90.6Very high150 Ų15058.9 Ų58.980%0.80232%0.323SS*.SBendtrans-73.2-28.9179.9-67.8-24.2000112.9S679N75-S679 PolarHBondContact O-OG 3.15Å
76E86.1Confident90.6Very high138 Ų13856.2 Ų56.265%0.64531%0.309SS*.SBendtrans-125.6144-176.4-62.8-164.6142.800111.4
77V90.1Very high90.7Very high19 Ų1956.6 Ų56.612%0.11531%0.312CS..  trans-80.7128.9173.4-179.60000109.2L66 A69 D79 V82 P131 P678L66-V77 HydrophobicContact CD1-CG1 3.7Å; A69-V77 HydrophobicContact CB-CG2 4.41Å; V77-D79 PolarHBondContact O-N 3.1Å; V77-D79 VanDerWaalsContact O-N 3.07Å; V77-V82 HydrophobicContact CG1-CG2 3.66Å; V77-P131 HydrophobicContact CG1-CB 3.91Å; V77-P131 HydrophobicContact CG1-CG 4.07Å; V77-P131 HydrophobicContact CG2-CB 4.19Å; V77-P131 HydrophobicContact CG2-CG 4.4Å; V77-P678 HydrophobicContact CG2-CG 3.65Å
78P92.6Very high90.8Very high25 Ų2552.3 Ų52.316%0.16229%0.289CS..  trans-66106.3177.3-21.132.4000112.7L65 D80 S81 V82L65-P78 HydrophobicContact CB-CG 4.03Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.44Å; P78-D80 PolarHBondContact O-N 2.83Å; P78-S81 WeakPolarHBondContact O-CB 3.3Å; P78-S81 PolarHBondContact O-N 3.02Å; P78-S81 VanDerWaalsContact O-N 3.16Å; P78-V82 PolarHBondContact O-N 2.82Å
79D90.2Very high90.7Very high135 Ų13550 Ų5072%0.72228%0.279SS*.Hα-helixtrans-59.1-35.4-177.8-82.1-23.3000113.1V77 S81 V82 Q83V77-D79 PolarHBondContact O-N 3.1Å; V77-D79 VanDerWaalsContact O-N 3.07Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 3.38Å; D79-V82 PolarHBondContact O-N 3.47Å; D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.5Å; D79-Q83 PolarHBondContact O-N 2.61Å
80D92.8Very high90.8Very high70 Ų7052 Ų5237%0.37429%0.287SS..Hα-helixtrans-65.1-36.5178.765.8-20.6000112.4P78 Q83 A84P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.44Å; P78-D80 PolarHBondContact O-N 2.83Å; D80-Q83 PolarHBondContact O-N 3.2Å; D80-A84 WeakPolarHBondContact O-CB 3.34Å; D80-A84 PolarHBondContact O-N 3.43Å
81S95.1Very high90.9Very high1 Ų152.4 Ų52.41%0.00729%0.288CS..Hα-helixtrans-71.9-43.8177.7-58.50000111.1V61 S62 P78 D79 Q83 A84 L85V61-S81 VanDerWaalsContact CG1-CA 3.49Å; V61-S81 WeakPolarHBondContact CG1-OG 3.41Å; S62-S81 PolarHBondContact O-OG 3.01Å; P78-S81 WeakPolarHBondContact O-CB 3.3Å; P78-S81 PolarHBondContact O-N 3.02Å; P78-S81 VanDerWaalsContact O-N 3.16Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 3.38Å; S81-Q83 VanDerWaalsContact C-N 3.33Å; S81-Q83 PolarHBondContact O-N 3Å; S81-A84 PolarHBondContact O-N 3.15Å; S81-L85 WeakPolarHBondContact O-CG 3.16Å; S81-L85 PolarHBondContact O-N 3.34Å; S81-L85 VanDerWaalsContact O-N 3.12Å
82V94Very high91Very high23 Ų2350 Ų5014%0.13927%0.267CS..Hα-helixtrans-62.4-42.2172.9-179.80000110.7L66 V77 P78 D79 L85 D86 M136L66-V82 HydrophobicContact CD1-CG2 4.05Å; V77-V82 HydrophobicContact CG1-CG2 3.66Å; P78-V82 PolarHBondContact O-N 2.82Å; D79-V82 PolarHBondContact O-N 3.47Å; V82-L85 PolarHBondContact O-N 3.26Å; V82-D86 PolarHBondContact O-N 3.5Å; V82-M136 HydrophobicContact CG1-CE 4.32Å; V82-M136 HydrophobicContact CG2-CE 4.15Å
83Q94.2Very high91.2Very high91 Ų9147.8 Ų47.843%0.42524%0.243SC..Hα-helixtrans-63.4-44.2176.7-177.8-179.77.400112.1D79 D80 S81 L85 D86 V87D79-Q83 VanDerWaalsContact O-CB 3.29Å; D79-Q83 WeakPolarHBondContact O-CB 3.5Å; D79-Q83 PolarHBondContact O-N 2.61Å; D80-Q83 PolarHBondContact O-N 3.2Å; S81-Q83 VanDerWaalsContact C-N 3.33Å; S81-Q83 PolarHBondContact O-N 3Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 3.35Å; Q83-D86 PolarHBondContact O-N 2.89Å; Q83-V87 HydrophobicContact CG-CG2 4.46Å; Q83-V87 WeakPolarHBondContact O-CG2 3.42Å; Q83-V87 PolarHBondContact O-N 2.81Å
84A95.4Very high91.4Very high5 Ų543 Ų434%0.04123%0.226CC..Hα-helixtrans-57.7-47.1177.300000110.9Y24 V61 D80 S81 V87 I88Y24-A84 HydrophobicContact CD1-CB 3.77Å; Y24-A84 HydrophobicContact CE1-CB 3.58Å; Y24-A84 HydrophobicContact CG-CB 4.35Å; V61-A84 HydrophobicContact CG1-CB 4.07Å; D80-A84 WeakPolarHBondContact O-CB 3.34Å; D80-A84 PolarHBondContact O-N 3.43Å; S81-A84 PolarHBondContact O-N 3.15Å; A84-V87 PolarHBondContact O-N 2.56Å; A84-I88 VanDerWaalsContact O-CD1 3.3Å; A84-I88 WeakPolarHBondContact O-CD1 3.06Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 2.87Å
85L94.8Very high91.4Very high18 Ų1845.5 Ų45.59%0.09424%0.238CC..Hα-helixtrans-64-40.2176.4-67.1175.8000112.8L63 L66 S81 V82 Q83 V87 I88 T89 V129 M136 I324L63-L85 HydrophobicContact CD2-CD1 4.32Å; L63-L85 HydrophobicContact CD2-CD2 4.23Å; L63-L85 HydrophobicContact CD2-CG 4.18Å; L66-L85 HydrophobicContact CD2-CD1 3.53Å; S81-L85 WeakPolarHBondContact O-CG 3.16Å; S81-L85 PolarHBondContact O-N 3.34Å; S81-L85 VanDerWaalsContact O-N 3.12Å; V82-L85 PolarHBondContact O-N 3.26Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 3.35Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 3.44Å; L85-I88 PolarHBondContact O-N 3.04Å; L85-T89 WeakPolarHBondContact O-CB 3.33Å; L85-T89 WeakPolarHBondContact O-CG2 3.41Å; L85-T89 PolarHBondContact O-N 3.44Å; L85-T89 PolarHBondContact O-OG1 3.03Å; L85-V129 HydrophobicContact CB-CG1 4.09Å; L85-M136 HydrophobicContact CD1-CE 4.15Å; L85-M136 HydrophobicContact CD1-CG 4.06Å; L85-I324 HydrophobicContact CD2-CD1 3.66Å; L85-I324 HydrophobicContact CD2-CG1 4.36Å
86D93.1Very high91.8Very high22 Ų2245.4 Ų45.412%0.11823%0.226CC..Hα-helixtrans-60.8-43173.8-169.573.5000111.1V82 Q83 T89 R90 V129V82-D86 PolarHBondContact O-N 3.5Å; Q83-D86 PolarHBondContact O-N 2.89Å; D86-T89 PolarHBondContact O-OG1 3.46Å; D86-R90 VanDerWaalsContact CG-CD 3.49Å; D86-R90 WeakPolarHBondContact O-CB 3.36Å; D86-R90 WeakPolarHBondContact O-CD 3.45Å; D86-R90 WeakPolarHBondContact O-CG 3.12Å; D86-R90 PolarHBondContact O-N 3.17Å; D86-R90 VanDerWaalsContact O-N 3.13Å; D86-R90 WeakPolarHBondContact OD1-CD 3.43Å; D86-R90 WeakPolarHBondContact OD2-CD 3.26Å; D86-R90 IonicContact OD2-CZ 3.96Å; D86-R90 IonicContact OD2-NE 2.76Å; D86-R90 IonicContact OD2-NH1 3.46Å; D86-R90 PolarHBondContact OD2-NH1 3.48Å; D86-V129 HydrophobicContact CB-CB 4.46Å
87V94.4Very high92Very high12 Ų1241.3 Ų41.37%0.07321%0.205CC..Hα-helixtrans-65.8-46.8179.1170.60000111.5D18 Y24 Q83 A84 L85 R90 H91D18-V87 HydrophobicContact CB-CG1 4.04Å; D18-V87 HydrophobicContact CB-CG2 3.71Å; Y24-V87 HydrophobicContact CD2-CB 4.08Å; Y24-V87 HydrophobicContact CD2-CG1 3.76Å; Y24-V87 HydrophobicContact CE2-CB 3.84Å; Y24-V87 HydrophobicContact CE2-CG1 3.82Å; Y24-V87 HydrophobicContact CE2-CG2 3.98Å; Q83-V87 HydrophobicContact CG-CG2 4.46Å; Q83-V87 WeakPolarHBondContact O-CG2 3.42Å; Q83-V87 PolarHBondContact O-N 2.81Å; A84-V87 PolarHBondContact O-N 2.56Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 3.44Å; V87-R90 PolarHBondContact O-N 2.89Å; V87-H91 PolarHBondContact O-N 2.94Å; V87-H91 VanDerWaalsContact O-N 3.07Å
88I93.8Very high92.2Very high5 Ų542.4 Ų42.43%0.02621%0.212CC..Hα-helixtrans-61.3-51.1-179.3-66.6157.4000110.1A84 L85 R90 H91 L319 F322 I324A84-I88 VanDerWaalsContact O-CD1 3.3Å; A84-I88 WeakPolarHBondContact O-CD1 3.06Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 2.87Å; L85-I88 PolarHBondContact O-N 3.04Å; I88-R90 PolarHBondContact O-N 3.39Å; I88-H91 PolarHBondContact O-N 3.37Å; I88-L319 HydrophobicContact CG2-CD2 4.11Å; I88-F322 HydrophobicContact CD1-CD1 3.42Å; I88-F322 VanDerWaalsContact CD1-CD1 3.42Å; I88-F322 HydrophobicContact CD1-CD2 4.31Å; I88-F322 HydrophobicContact CD1-CE1 3.44Å; I88-F322 VanDerWaalsContact CD1-CE1 3.44Å; I88-F322 HydrophobicContact CD1-CE2 4.33Å; I88-F322 HydrophobicContact CD1-CG 3.87Å; I88-F322 HydrophobicContact CD1-CZ 3.9Å; I88-F322 HydrophobicContact CG1-CD1 4.23Å; I88-F322 HydrophobicContact CG1-CD2 4.31Å; I88-F322 HydrophobicContact CG1-CE1 4.02Å; I88-F322 HydrophobicContact CG1-CE2 4.1Å; I88-F322 HydrophobicContact CG1-CG 4.35Å; I88-F322 HydrophobicContact CG1-CZ 3.93Å; I88-F322 HydrophobicContact CG2-CB 4.31Å; I88-F322 HydrophobicContact CG2-CD2 3.81Å; I88-F322 HydrophobicContact CG2-CE2 4.23Å; I88-F322 HydrophobicContact CG2-CG 4.03Å; I88-I324 HydrophobicContact CB-CD1 4.45Å; I88-I324 HydrophobicContact CG2-CD1 3.8Å
89T91.4Very high92.2Very high11 Ų1144.5 Ų44.57%0.06723%0.226CC..Hα-helixtrans-65.1-24.5-178.559.30000113.4L85 D86 Q127 V129 L319L85-T89 WeakPolarHBondContact O-CB 3.33Å; L85-T89 WeakPolarHBondContact O-CG2 3.41Å; L85-T89 PolarHBondContact O-N 3.44Å; L85-T89 PolarHBondContact O-OG1 3.03Å; D86-T89 PolarHBondContact O-OG1 3.46Å; T89-Q127 PolarHBondContact O-NE2 3.04Å; T89-Q127 PolarHBondContact OG1-NE2 3.44Å; T89-V129 HydrophobicContact CG2-CG2 3.98Å; T89-V129 WeakPolarHBondContact OG1-CG2 3.46Å; T89-L319 HydrophobicContact CG2-CD2 3.79Å
90R92.2Very high92.2Very high44 Ų4439 Ų3917%0.16620%0.197CC..Hα-helixtrans-96.7-7.2-177.9-69.6177.768.3-151.5-6.7113.8D86 V87 I88 S94 G101 F104 Q127D86-R90 VanDerWaalsContact CG-CD 3.49Å; D86-R90 WeakPolarHBondContact O-CB 3.36Å; D86-R90 WeakPolarHBondContact O-CD 3.45Å; D86-R90 WeakPolarHBondContact O-CG 3.12Å; D86-R90 PolarHBondContact O-N 3.17Å; D86-R90 VanDerWaalsContact O-N 3.13Å; D86-R90 WeakPolarHBondContact OD1-CD 3.43Å; D86-R90 WeakPolarHBondContact OD2-CD 3.26Å; D86-R90 IonicContact OD2-CZ 3.96Å; D86-R90 IonicContact OD2-NE 2.76Å; D86-R90 IonicContact OD2-NH1 3.46Å; D86-R90 PolarHBondContact OD2-NH1 3.48Å; V87-R90 PolarHBondContact O-N 2.89Å; I88-R90 PolarHBondContact O-N 3.39Å; R90-S94 VanDerWaalsContact O-CB 3.26Å; R90-S94 WeakPolarHBondContact O-CB 3.39Å; R90-S94 PolarHBondContact O-N 2.78Å; R90-S94 PolarHBondContact O-OG 2.7Å; R90-G101 PolarHBondContact NH2-O 2.81Å; R90-F104 HydrophobicContact CB-CZ 3.94Å; R90-F104 HydrophobicContact CG-CE2 4.19Å; R90-F104 HydrophobicContact CG-CZ 4.01Å; R90-Q127 HydrophobicContact CG-CG 4.44Å; R90-Q127 VanDerWaalsContact CG-NE2 3.35Å
91H92.2Very high92Very high21 Ų2138.8 Ų38.810%0.09721%0.211CC..Hα-helixtrans-61.1-53.9-172.2-175.665.8000112.2Y17 V87 I88 S94 M95 Y318Y17-H91 PolarHBondContact N-ND1 3.13Å; Y17-H91 VanDerWaalsContact N-ND1 3.1Å; Y17-H91 PolarHBondContact O-ND1 2.82Å; V87-H91 PolarHBondContact O-N 2.94Å; V87-H91 VanDerWaalsContact O-N 3.07Å; I88-H91 PolarHBondContact O-N 3.37Å; H91-S94 PolarHBondContact O-N 2.71Å; H91-M95 WeakPolarHBondContact NE2-CE 3.36Å; H91-M95 PolarHBondContact O-N 3.19Å; H91-Y318 AromaticContact CD2-CD1 3.48Å; H91-Y318 VanDerWaalsContact CD2-CD1 3.48Å; H91-Y318 WeakPolarHBondContact CD2-CD1 3.23Å; H91-Y318 AromaticContact CD2-CD2 3.92Å; H91-Y318 AromaticContact CD2-CE1 3.29Å; H91-Y318 WeakPolarHBondContact CD2-CE1 3.41Å; H91-Y318 AromaticContact CD2-CE2 3.76Å; H91-Y318 AromaticContact CD2-CG 3.8Å; H91-Y318 AromaticContact CD2-CZ 3.45Å; H91-Y318 VanDerWaalsContact CD2-CZ 3.45Å; H91-Y318 AromaticContact NE2-CE1 3.49Å; H91-Y318 WeakPolarHBondContact NE2-CE1 3.19Å; H91-Y318 AromaticContact NE2-CZ 3.61Å
92L90.3Very high91.8Very high12 Ų1244.3 Ų44.36%0.06323%0.232CC..Hα-helixtrans-66.8-46.1-179.4-177.958000113.2S94 M95 R96 M311 D316 Y318L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.47Å; L92-M95 HydrophobicContact CD1-CE 4.06Å; L92-M95 PolarHBondContact O-N 3.34Å; L92-M95 VanDerWaalsContact O-N 3.13Å; L92-R96 HydrophobicContact CD1-CG 4.25Å; L92-R96 PolarHBondContact O-N 3.34Å; L92-M311 HydrophobicContact CD2-CE 4.21Å; L92-M311 HydrophobicContact CD2-SD 3.31Å; L92-M311 WeakPolarHBondContact CD2-SD 2.85Å; L92-M311 HydrophobicContact CG-SD 3.87Å; L92-D316 WeakPolarHBondContact CB-OD2 3.42Å; L92-D316 HydrophobicContact CD2-CB 4.31Å; L92-D316 WeakPolarHBondContact CD2-OD2 3.35Å; L92-Y318 HydrophobicContact CB-CD2 4.01Å; L92-Y318 HydrophobicContact CB-CE2 4.29Å; L92-Y318 HydrophobicContact CD1-CE2 4.21Å
93P89.6Confident91.8Very high1 Ų143.8 Ų43.81%0.00623%0.229CC..Hα-helixtrans-55.9-37.5172.3-28.735.5000113.8M95 R96 Y97 F104 F125P93-M95 PolarHBondContact O-N 3.41Å; P93-R96 PolarHBondContact O-N 3.14Å; P93-Y97 HydrophobicContact CB-CD2 4.12Å; P93-Y97 WeakPolarHBondContact O-CB 3.36Å; P93-Y97 WeakPolarHBondContact O-CD2 3.24Å; P93-Y97 PolarHBondContact O-N 3.22Å; P93-F104 HydrophobicContact CB-CD1 3.86Å; P93-F104 HydrophobicContact CB-CD2 3.82Å; P93-F104 HydrophobicContact CB-CE1 3.79Å; P93-F104 HydrophobicContact CB-CE2 3.72Å; P93-F104 HydrophobicContact CB-CG 3.87Å; P93-F104 HydrophobicContact CB-CZ 3.71Å; P93-F104 HydrophobicContact CG-CE2 4.47Å; P93-F125 HydrophobicContact CB-CZ 4.32Å
94S90.7Very high91.8Very high46 Ų4639.4 Ų39.432%0.32221%0.209SC..Hα-helixtrans-67-24.3179.7-60.40000113.6R90 H91 L92 F104R90-S94 VanDerWaalsContact O-CB 3.26Å; R90-S94 WeakPolarHBondContact O-CB 3.39Å; R90-S94 PolarHBondContact O-N 2.78Å; R90-S94 PolarHBondContact O-OG 2.7Å; H91-S94 PolarHBondContact O-N 2.71Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.47Å; S94-F104 WeakPolarHBondContact OG-CE1 3.46Å
95M88.3Confident91.7Very high107 Ų10739.4 Ų39.453%0.52721%0.208SC..Hα-helixtrans-87.2-28.4175.9-67.8-172.7-70.300113.1H91 L92 P93 Y318H91-M95 WeakPolarHBondContact NE2-CE 3.36Å; H91-M95 PolarHBondContact O-N 3.19Å; L92-M95 HydrophobicContact CD1-CE 4.06Å; L92-M95 PolarHBondContact O-N 3.34Å; L92-M95 VanDerWaalsContact O-N 3.13Å; P93-M95 PolarHBondContact O-N 3.41Å; M95-Y318 HydrophobicContact CE-CE2 3.86Å
96R86.9Confident91.5Very high147 Ų14740.5 Ų40.556%0.55522%0.217SC*.Hα-helixtrans-92.8-34.5-175.6-69-171.7177.3-153.72.9113.7L92 P93 M311L92-R96 HydrophobicContact CD1-CG 4.25Å; L92-R96 PolarHBondContact O-N 3.34Å; P93-R96 PolarHBondContact O-N 3.14Å; R96-M311 VanDerWaalsContact NH1-CE 3.33Å; R96-M311 PolarHBondContact NH1-SD 3.35Å
97Y90.8Very high91.4Very high53 Ų5342.6 Ų42.621%0.20823%0.232CC..SBendtrans-111.4173.5-174.4-59.6-67.9000111.4P93 P99 F104 F125 N309P93-Y97 HydrophobicContact CB-CD2 4.12Å; P93-Y97 WeakPolarHBondContact O-CB 3.36Å; P93-Y97 WeakPolarHBondContact O-CD2 3.24Å; P93-Y97 PolarHBondContact O-N 3.22Å; Y97-P99 WeakPolarHBondContact O-CD 3.46Å; Y97-F104 HydrophobicContact CD2-CB 4.07Å; Y97-F104 HydrophobicContact CG-CB 4.11Å; Y97-F125 HydrophobicContact CD2-CE1 4.11Å; Y97-F125 HydrophobicContact CD2-CZ 4.25Å; Y97-F125 AromaticContact CE2-CE1 3.85Å; Y97-F125 HydrophobicContact CE2-CE1 3.85Å; Y97-F125 HydrophobicContact CE2-CZ 4.06Å; Y97-N309 PolarHBondContact OH-ND2 2.97Å
98T92.8Very high91Very high42 Ų4243.7 Ų43.726%0.25824%0.239SC..EExtended strand (participates in β ladder)trans-85.4107.3169.5-58.50000109.3V100 F105 F147T98-V100 HydrophobicContact CG2-CG2 4.45Å; T98-F105 PolarHBondContact N-O 3.44Å; T98-F105 PolarHBondContact O-N 3.41Å; T98-F105 VanDerWaalsContact O-N 3.07Å; T98-F147 HydrophobicContact CG2-CE1 4.09Å; T98-F147 HydrophobicContact CG2-CZ 4.33Å
99P92.8Very high90.6Very high69 Ų6951.4 Ų51.445%0.44828%0.275SS..EExtended strand (participates in β ladder)trans-72.4131178.929.6-35000111Y97 F104Y97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-F104 HydrophobicContact CB-CD1 4.17Å; P99-F104 HydrophobicContact CB-CE1 4.04Å
100V91.3Very high90.2Very high20 Ų2055.5 Ų55.512%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-134.398.1176.2175.10000108.2T98 R102 S103 F105 F147 R274T98-V100 HydrophobicContact CG2-CG2 4.45Å; V100-R102 PolarHBondContact O-N 2.92Å; V100-S103 PolarHBondContact N-O 3.44Å; V100-S103 PolarHBondContact O-N 3.15Å; V100-F105 HydrophobicContact CB-CD2 3.77Å; V100-F105 HydrophobicContact CB-CE2 3.69Å; V100-F105 HydrophobicContact CG1-CE2 4.13Å; V100-F105 HydrophobicContact CG2-CD2 3.72Å; V100-F105 HydrophobicContact CG2-CE2 4.09Å; V100-F147 HydrophobicContact CG2-CZ 4.09Å; V100-R274 VanDerWaalsContact CG1-CD 3.43Å
101G88.6Confident89.8Confident65 Ų6556.5 Ų56.567%0.6732%0.323SS*.THydrogen-bonded Turntrans64-120.2-173.800000110.8R90R90-G101 PolarHBondContact NH2-O 2.81Å
102R89.9Confident89.6Confident116 Ų11661.9 Ų61.944%0.43834%0.343SS..THydrogen-bonded Turntrans-98.914.6173.6-68.6-173.6176169.1-2.4112.9V100 H126 Q127 E608V100-R102 PolarHBondContact O-N 2.92Å; R102-H126 PolarHBondContact O-ND1 2.97Å; R102-Q127 PolarHBondContact O-N 3.41Å; R102-Q127 VanDerWaalsContact O-O 3.06Å; R102-E608 IonicContact NH1-OE2 2.87Å
103S94.1Very high89.8Confident12 Ų1264.2 Ų64.28%0.08435%0.354CS..EExtended strand (participates in β ladder)trans-117.7158.1178.3-52.50000112V100 F125V100-S103 PolarHBondContact N-O 3.44Å; V100-S103 PolarHBondContact O-N 3.15Å; S103-F125 CarbonylContact C-O 3.5Å; S103-F125 WeakPolarHBondContact CA-O 3.32Å; S103-F125 WeakPolarHBondContact CB-O 3.3Å
104F93.8Very high89.9Confident0 Ų066.8 Ų66.80%037%0.371CS..EExtended strand (participates in β ladder)trans-126.3130.4-178.5-61.6-73.9000109.4R90 P93 S94 Y97 P99 G124 F125 Q127R90-F104 HydrophobicContact CB-CZ 3.94Å; R90-F104 HydrophobicContact CG-CE2 4.19Å; R90-F104 HydrophobicContact CG-CZ 4.01Å; P93-F104 HydrophobicContact CB-CD1 3.86Å; P93-F104 HydrophobicContact CB-CD2 3.82Å; P93-F104 HydrophobicContact CB-CE1 3.79Å; P93-F104 HydrophobicContact CB-CE2 3.72Å; P93-F104 HydrophobicContact CB-CG 3.87Å; P93-F104 HydrophobicContact CB-CZ 3.71Å; P93-F104 HydrophobicContact CG-CE2 4.47Å; S94-F104 WeakPolarHBondContact OG-CE1 3.46Å; Y97-F104 HydrophobicContact CD2-CB 4.07Å; Y97-F104 HydrophobicContact CG-CB 4.11Å; P99-F104 HydrophobicContact CB-CD1 4.17Å; P99-F104 HydrophobicContact CB-CE1 4.04Å; F104-G124 CarbonylContact O-C 3.57Å; F104-G124 WeakPolarHBondContact O-CA 3.3Å; F104-F125 HydrophobicContact CB-CD1 4.36Å; F104-F125 HydrophobicContact CB-CE1 3.9Å; F104-F125 HydrophobicContact CB-CE2 4.33Å; F104-F125 HydrophobicContact CB-CZ 3.88Å; F104-F125 HydrophobicContact CD2-CD2 4.25Å; F104-F125 AromaticContact CD2-CE2 3.62Å; F104-F125 HydrophobicContact CD2-CE2 3.62Å; F104-F125 AromaticContact CD2-CZ 3.84Å; F104-F125 HydrophobicContact CD2-CZ 3.84Å; F104-F125 HydrophobicContact CE2-CE2 4.42Å; F104-F125 HydrophobicContact CG-CE2 4.38Å; F104-F125 HydrophobicContact CG-CZ 4.17Å; F104-F125 PolarHBondContact N-O 3.24Å; F104-F125 PolarHBondContact O-N 2.84Å; F104-Q127 HydrophobicContact CD2-CB 4.4Å; F104-Q127 HydrophobicContact CE2-CB 4.07Å
105F94.3Very high90.1Very high5 Ų565.3 Ų65.32%0.02236%0.359CS..EExtended strand (participates in β ladder)trans-127147.6-176.1-64-86.1000111.5T98 V100 W122 T145 F147T98-F105 PolarHBondContact N-O 3.44Å; T98-F105 PolarHBondContact O-N 3.41Å; T98-F105 VanDerWaalsContact O-N 3.07Å; V100-F105 HydrophobicContact CB-CD2 3.77Å; V100-F105 HydrophobicContact CB-CE2 3.69Å; V100-F105 HydrophobicContact CG1-CE2 4.13Å; V100-F105 HydrophobicContact CG2-CD2 3.72Å; V100-F105 HydrophobicContact CG2-CE2 4.09Å; F105-W122 HydrophobicContact CB-CB 4.49Å; F105-W122 HydrophobicContact CB-CE3 4.16Å; F105-W122 HydrophobicContact CD1-CB 4.46Å; F105-T145 HydrophobicContact CD1-CG2 3.92Å; F105-T145 HydrophobicContact CD2-CG2 4.1Å; F105-T145 HydrophobicContact CE1-CG2 3.6Å; F105-T145 HydrophobicContact CE2-CG2 3.76Å; F105-T145 HydrophobicContact CG-CG2 4.17Å; F105-T145 HydrophobicContact CZ-CG2 3.5Å; F105-F147 HydrophobicContact CB-CE2 3.83Å; F105-F147 HydrophobicContact CB-CZ 3.82Å; F105-F147 HydrophobicContact CD1-CE2 4.25Å; F105-F147 HydrophobicContact CD2-CE2 4.31Å; F105-F147 HydrophobicContact CD2-CZ 4.29Å; F105-F147 AromaticContact CG-CE2 3.87Å; F105-F147 HydrophobicContact CG-CE2 3.87Å; F105-F147 HydrophobicContact CG-CZ 4.11Å
106S91Very high90.3Very high40 Ų4061.6 Ų61.628%0.2835%0.348SS..  trans-121.6156.6174.555.60000111.3W122 F123S106-W122 VanDerWaalsContact O-CE3 3.23Å; S106-F123 PolarHBondContact N-O 3.47Å
107P89.8Confident90.6Very high67 Ų6755.3 Ų55.344%0.43533%0.33SS..  trans-54.3150.5167.2-21.331.5000111.7E109 W122P107-E109 PolarHBondContact O-N 2.96Å; P107-W122 HydrophobicContact CB-CH2 4.08Å; P107-W122 HydrophobicContact CB-CZ2 4.04Å; P107-W122 HydrophobicContact CG-CH2 3.63Å; P107-W122 HydrophobicContact CG-CZ2 4.1Å; P107-W122 HydrophobicContact CG-CZ3 4.06Å
108P86.8Confident90.8Very high34 Ų3452.8 Ų52.822%0.22132%0.32CS..  trans-60.4126173.7-2434.7000112.8Y111P108-Y111 VanDerWaalsContact CA-CZ 3.46Å; P108-Y111 WeakPolarHBondContact CA-OH 3.45Å; P108-Y111 HydrophobicContact CB-CD2 3.87Å; P108-Y111 HydrophobicContact CB-CE1 4.21Å; P108-Y111 HydrophobicContact CB-CE2 3.44Å; P108-Y111 VanDerWaalsContact CB-CE2 3.44Å; P108-Y111 HydrophobicContact CB-CG 4.39Å; P108-Y111 VanDerWaalsContact CB-O 3.26Å; P108-Y111 WeakPolarHBondContact CB-O 3.2Å; P108-Y111 HydrophobicContact CG-CE2 3.78Å
109E84.6Confident90.9Very high168 Ų16851.1 Ų51.179%0.78531%0.309SS*.SBendtrans-123.5117.5171.3-70.6-178.4-173.900108.3P107 Y111P107-E109 PolarHBondContact O-N 2.96Å; E109-Y111 VanDerWaalsContact C-N 3.27Å; E109-Y111 WeakPolarHBondContact O-CD1 3.49Å; E109-Y111 PolarHBondContact O-N 2.96Å
110G82.7Confident91.1Very high96 Ų9648.8 Ų48.899%0.9929%0.292SS*.SBendtrans75.16.1-179.600000115.8
111Y85.6Confident91.3Very high65 Ų6547.8 Ų47.826%0.25529%0.286SS..  trans-141.5154.9172.367.7-93.6000111.7P108 E109 H113 F123P108-Y111 VanDerWaalsContact CA-CZ 3.46Å; P108-Y111 WeakPolarHBondContact CA-OH 3.45Å; P108-Y111 HydrophobicContact CB-CD2 3.87Å; P108-Y111 HydrophobicContact CB-CE1 4.21Å; P108-Y111 HydrophobicContact CB-CE2 3.44Å; P108-Y111 VanDerWaalsContact CB-CE2 3.44Å; P108-Y111 HydrophobicContact CB-CG 4.39Å; P108-Y111 VanDerWaalsContact CB-O 3.26Å; P108-Y111 WeakPolarHBondContact CB-O 3.2Å; P108-Y111 HydrophobicContact CG-CE2 3.78Å; E109-Y111 VanDerWaalsContact C-N 3.27Å; E109-Y111 WeakPolarHBondContact O-CD1 3.49Å; E109-Y111 PolarHBondContact O-N 2.96Å; Y111-H113 AromaticContact CD2-CD2 3.65Å; Y111-F123 HydrophobicContact CD2-CD2 4.18Å; Y111-F123 HydrophobicContact CD2-CE2 4.28Å; Y111-F123 HydrophobicContact CE1-CD2 4.23Å; Y111-F123 AromaticContact CE2-CD2 3.55Å; Y111-F123 HydrophobicContact CE2-CD2 3.55Å; Y111-F123 HydrophobicContact CE2-CE2 4.03Å; Y111-F123 AromaticContact CZ-CD2 3.58Å; Y111-F123 PolarHBondContact OH-N 3.43Å
112Y88Confident91.7Very high134 Ų13445.1 Ų45.153%0.52526%0.255SS..  trans-142118.9177.8-179-124000111.2P114Y112-P114 HydrophobicContact CD1-CG 4.22Å; Y112-P114 HydrophobicContact CE1-CB 4.19Å; Y112-P114 HydrophobicContact CE1-CG 3.63Å; Y112-P114 HydrophobicContact CE2-CB 4.3Å; Y112-P114 HydrophobicContact CE2-CG 4.47Å
113H92.8Very high91.8Very high61 Ų6141.8 Ų41.828%0.28224%0.244SC..  trans-132.879.7-178.3-65.9-51.4000110.9Y111 E120 V121 F123 A290Y111-H113 AromaticContact CD2-CD2 3.65Å; H113-E120 WeakPolarHBondContact O-CA 3.38Å; H113-V121 HydrophobicContact CB-CB 3.96Å; H113-V121 HydrophobicContact CB-CG2 4.08Å; H113-V121 PolarHBondContact O-N 3.41Å; H113-F123 AromaticContact CD2-CE2 3.72Å; H113-A290 HydrophobicContact CB-CB 4.46Å
114P93.4Very high91.8Very high55 Ų5542 Ų4236%0.35725%0.248SC..BIsolated β-bridgetrans-69.1140.1175.329.1-33.7000110.5Y112Y112-P114 HydrophobicContact CD1-CG 4.22Å; Y112-P114 HydrophobicContact CE1-CB 4.19Å; Y112-P114 HydrophobicContact CE1-CG 3.63Å; Y112-P114 HydrophobicContact CE2-CB 4.3Å; Y112-P114 HydrophobicContact CE2-CG 4.47Å
115L94Very high91.8Very high15 Ų1542.3 Ų42.38%0.07925%0.249CC..  trans-98.1-16172.6-62176.9000111.6R119 V121 A146 L279 Q283 T286 M287L115-R119 HydrophobicContact CB-CB 4.08Å; L115-R119 HydrophobicContact CD1-CB 4.37Å; L115-R119 PolarHBondContact N-O 2.9Å; L115-V121 HydrophobicContact CD1-CG2 4.03Å; L115-V121 HydrophobicContact CD2-CG2 3.64Å; L115-V121 HydrophobicContact CG-CG2 3.87Å; L115-A146 HydrophobicContact CD1-CB 3.74Å; L115-L279 HydrophobicContact CD1-CD1 4.36Å; L115-L279 HydrophobicContact CD1-CD2 4.46Å; L115-Q283 HydrophobicContact CB-CB 4.45Å; L115-Q283 HydrophobicContact CB-CG 4.12Å; L115-Q283 VanDerWaalsContact O-CG 3.24Å; L115-Q283 WeakPolarHBondContact O-CG 3.49Å; L115-T286 HydrophobicContact CD2-CG2 3.94Å; L115-M287 HydrophobicContact CD2-CB 3.96Å
116G92.2Very high91.8Very high29 Ų2942.4 Ų42.430%0.29925%0.25SS..SBendtrans80.9165.7-169.400000112.3G118 Q283G116-G118 PolarHBondContact O-N 2.91Å; G116-Q283 PolarHBondContact O-NE2 3.46Å
117G93.1Very high91.9Very high16 Ų1640.7 Ų40.717%0.16524%0.237CC..SBendtrans64.529.6-174.600000113.3E159G117-E159 PolarHBondContact N-OE2 3.14Å
118G94.7Very high92Very high0 Ų037.6 Ų37.60%022%0.217CC..SBendtrans76.421.8178.400000115G116 Y148 R149 Q151 E159G116-G118 PolarHBondContact O-N 2.91Å; G118-Y148 WeakPolarHBondContact O-CA 3.15Å; G118-R149 PolarHBondContact O-N 2.74Å; G118-Q151 VanDerWaalsContact CA-NE2 3.33Å; G118-E159 VanDerWaalsContact CA-OE2 3.24Å; G118-E159 WeakPolarHBondContact CA-OE2 3.31Å; G118-E159 PolarHBondContact N-OE2 3.17Å
119R96.6Very high92.3Very high7 Ų736.8 Ų36.83%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-120150.1-173.8-59168.8-166.1-179.7-4.9110.9L115 F147 Y148 E184L115-R119 HydrophobicContact CB-CB 4.08Å; L115-R119 HydrophobicContact CD1-CB 4.37Å; L115-R119 PolarHBondContact N-O 2.9Å; R119-F147 CarbonylContact C-O 3.58Å; R119-F147 VanDerWaalsContact CA-O 3.3Å; R119-F147 WeakPolarHBondContact CA-O 3.48Å; R119-Y148 HydrophobicContact CG-CD1 4.15Å; R119-Y148 HydrophobicContact CG-CE1 4.14Å; R119-E184 IonicContact CZ-OE2 2.76Å; R119-E184 IonicContact NH2-OE1 3.94Å; R119-E184 PolarHBondContact NH2-OE1 3.2Å; R119-E184 IonicContact NH2-OE2 3.43Å; R119-E184 PolarHBondContact NH2-OE2 3.21Å
120E96.1Very high92.7Very high19 Ų1930.6 Ų30.69%0.08918%0.181CC..EExtended strand (participates in β ladder)trans-143.7165.7178.363-179.3-179.500111.5H113 W122 A146 F147 R149H113-E120 WeakPolarHBondContact O-CA 3.38Å; E120-W122 PolarHBondContact OE1-NE1 2.98Å; E120-A146 CarbonylContact O-C 3.48Å; E120-A146 WeakPolarHBondContact O-CA 3.44Å; E120-F147 PolarHBondContact N-O 2.8Å; E120-F147 PolarHBondContact O-N 3.21Å; E120-R149 HydrophobicContact CG-CB 4.44Å
121V96.4Very high93.2Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-93126.5176.7-175.80000110.2H113 L115 F123 A144 T291H113-V121 HydrophobicContact CB-CB 3.96Å; H113-V121 HydrophobicContact CB-CG2 4.08Å; H113-V121 PolarHBondContact O-N 3.41Å; L115-V121 HydrophobicContact CD1-CG2 4.03Å; L115-V121 HydrophobicContact CD2-CG2 3.64Å; L115-V121 HydrophobicContact CG-CG2 3.87Å; V121-F123 HydrophobicContact CG1-CE2 4.32Å; V121-F123 HydrophobicContact CG1-CZ 4.43Å; V121-A144 HydrophobicContact CG1-CB 4.01Å; V121-T291 HydrophobicContact CG1-CG2 4.06Å
122W95.5Very high93.4Very high8 Ų824 Ų243%0.0313%0.129CC..EExtended strand (participates in β ladder)trans-106135.3164.6-68.117000109.6F105 S106 P107 E120 A144 T145 F147 G272F105-W122 HydrophobicContact CB-CB 4.49Å; F105-W122 HydrophobicContact CB-CE3 4.16Å; F105-W122 HydrophobicContact CD1-CB 4.46Å; S106-W122 VanDerWaalsContact O-CE3 3.23Å; P107-W122 HydrophobicContact CB-CH2 4.08Å; P107-W122 HydrophobicContact CB-CZ2 4.04Å; P107-W122 HydrophobicContact CG-CH2 3.63Å; P107-W122 HydrophobicContact CG-CZ2 4.1Å; P107-W122 HydrophobicContact CG-CZ3 4.06Å; E120-W122 PolarHBondContact OE1-NE1 2.98Å; W122-A144 VanDerWaalsContact O-CA 3.32Å; W122-A144 WeakPolarHBondContact O-CA 3.44Å; W122-T145 PolarHBondContact N-O 3.16Å; W122-T145 PolarHBondContact O-N 3.44Å; W122-T145 VanDerWaalsContact O-N 3.07Å; W122-F147 HydrophobicContact CB-CD2 3.43Å; W122-F147 VanDerWaalsContact CB-CD2 3.43Å; W122-F147 HydrophobicContact CB-CE2 3.67Å; W122-F147 HydrophobicContact CB-CG 4.27Å; W122-F147 HydrophobicContact CD2-CB 3.96Å; W122-F147 AromaticContact CD2-CD1 3.9Å; W122-F147 HydrophobicContact CD2-CD1 3.9Å; W122-F147 AromaticContact CD2-CD2 3.57Å; W122-F147 HydrophobicContact CD2-CD2 3.57Å; W122-F147 HydrophobicContact CD2-CE1 4.28Å; W122-F147 AromaticContact CD2-CE2 3.92Å; W122-F147 HydrophobicContact CD2-CE2 3.92Å; W122-F147 AromaticContact CD2-CG 3.54Å; W122-F147 HydrophobicContact CD2-CG 3.54Å; W122-F147 HydrophobicContact CD2-CZ 4.29Å; W122-F147 AromaticContact CE2-CG 3.9Å; W122-F147 AromaticContact CE3-CD1 3.85Å; W122-F147 HydrophobicContact CE3-CD1 3.85Å; W122-F147 AromaticContact CE3-CD2 3.9Å; W122-F147 HydrophobicContact CE3-CD2 3.9Å; W122-F147 AromaticContact CE3-CE1 3.78Å; W122-F147 HydrophobicContact CE3-CE1 3.78Å; W122-F147 AromaticContact CE3-CE2 3.77Å; W122-F147 HydrophobicContact CE3-CE2 3.77Å; W122-F147 AromaticContact CE3-CG 3.92Å; W122-F147 HydrophobicContact CE3-CG 3.92Å; W122-F147 AromaticContact CE3-CZ 3.74Å; W122-F147 HydrophobicContact CE3-CZ 3.74Å; W122-F147 HydrophobicContact CG-CB 3.92Å; W122-F147 AromaticContact CG-CD2 3.35Å; W122-F147 HydrophobicContact CG-CD2 3.35Å; W122-F147 AromaticContact CG-CE2 3.91Å; W122-F147 HydrophobicContact CG-CE2 3.91Å; W122-F147 AromaticContact CG-CG 3.69Å; W122-F147 HydrophobicContact CG-CG 3.69Å; W122-F147 HydrophobicContact CH2-CD1 4.42Å; W122-F147 HydrophobicContact CZ2-CD1 4.45Å; W122-F147 HydrophobicContact CZ3-CD1 4.11Å; W122-F147 AromaticContact CZ3-CE1 4Å; W122-F147 HydrophobicContact CZ3-CE1 4Å; W122-F147 HydrophobicContact CZ3-CZ 4.32Å; W122-G272 VanDerWaalsContact CH2-CA 3.46Å
123F93.2Very high93.3Very high47 Ų4721.6 Ų21.621%0.20612%0.124CC..EExtended strand (participates in β ladder)trans-90.8160.1170-71.7-82.2000110.5S106 Y111 H113 V121 S143 A144 T291S106-F123 PolarHBondContact N-O 3.47Å; Y111-F123 HydrophobicContact CD2-CD2 4.18Å; Y111-F123 HydrophobicContact CD2-CE2 4.28Å; Y111-F123 HydrophobicContact CE1-CD2 4.23Å; Y111-F123 AromaticContact CE2-CD2 3.55Å; Y111-F123 HydrophobicContact CE2-CD2 3.55Å; Y111-F123 HydrophobicContact CE2-CE2 4.03Å; Y111-F123 AromaticContact CZ-CD2 3.58Å; Y111-F123 PolarHBondContact OH-N 3.43Å; H113-F123 AromaticContact CD2-CE2 3.72Å; V121-F123 HydrophobicContact CG1-CE2 4.32Å; V121-F123 HydrophobicContact CG1-CZ 4.43Å; F123-S143 CarbonylContact C-O 3.56Å; F123-S143 WeakPolarHBondContact CA-O 3.49Å; F123-A144 HydrophobicContact CD1-CB 3.77Å; F123-A144 HydrophobicContact CE1-CB 3.85Å; F123-T291 HydrophobicContact CE1-CG2 4.02Å; F123-T291 HydrophobicContact CZ-CG2 4.17Å
124G93.2Very high92.4Very high16 Ų1628.4 Ų28.417%0.16515%0.147CC..EExtended strand (participates in β ladder)trans-177.5-162.2-175.700000110.2F104 S143F104-G124 CarbonylContact O-C 3.57Å; F104-G124 WeakPolarHBondContact O-CA 3.3Å; G124-S143 PolarHBondContact N-O 3.31Å; G124-S143 PolarHBondContact O-N 3.43Å; G124-S143 VanDerWaalsContact O-O 3.11Å
125F93.3Very high92.2Very high6 Ų629.4 Ų29.43%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-141.8146.1-179.563.3-84000111.6P93 Y97 S103 F104 Q127 D141 L305 V312P93-F125 HydrophobicContact CB-CZ 4.32Å; Y97-F125 HydrophobicContact CD2-CE1 4.11Å; Y97-F125 HydrophobicContact CD2-CZ 4.25Å; Y97-F125 AromaticContact CE2-CE1 3.85Å; Y97-F125 HydrophobicContact CE2-CE1 3.85Å; Y97-F125 HydrophobicContact CE2-CZ 4.06Å; S103-F125 CarbonylContact C-O 3.5Å; S103-F125 WeakPolarHBondContact CA-O 3.32Å; S103-F125 WeakPolarHBondContact CB-O 3.3Å; F104-F125 HydrophobicContact CB-CD1 4.36Å; F104-F125 HydrophobicContact CB-CE1 3.9Å; F104-F125 HydrophobicContact CB-CE2 4.33Å; F104-F125 HydrophobicContact CB-CZ 3.88Å; F104-F125 HydrophobicContact CD2-CD2 4.25Å; F104-F125 AromaticContact CD2-CE2 3.62Å; F104-F125 HydrophobicContact CD2-CE2 3.62Å; F104-F125 AromaticContact CD2-CZ 3.84Å; F104-F125 HydrophobicContact CD2-CZ 3.84Å; F104-F125 HydrophobicContact CE2-CE2 4.42Å; F104-F125 HydrophobicContact CG-CE2 4.38Å; F104-F125 HydrophobicContact CG-CZ 4.17Å; F104-F125 PolarHBondContact N-O 3.24Å; F104-F125 PolarHBondContact O-N 2.84Å; F125-Q127 HydrophobicContact CD2-CB 4.3Å; F125-Q127 HydrophobicContact CE2-CB 4.26Å; F125-D141 CarbonylContact C-O 3.59Å; F125-D141 VanDerWaalsContact CA-O 3.3Å; F125-D141 WeakPolarHBondContact CA-O 3.29Å; F125-L305 HydrophobicContact CB-CD2 3.41Å; F125-L305 VanDerWaalsContact CB-CD2 3.41Å; F125-L305 HydrophobicContact CD1-CD1 4.26Å; F125-L305 HydrophobicContact CD1-CD2 4.31Å; F125-L305 HydrophobicContact CG-CD2 3.87Å; F125-V312 HydrophobicContact CE2-CG2 4.04Å; F125-V312 HydrophobicContact CZ-CG2 4.2Å
126H94.4Very high92.2Very high8 Ų830.5 Ų30.54%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-83.2143.6164.6173.183.3000109.5R102 S128 I140 D141 H647R102-H126 PolarHBondContact O-ND1 2.97Å; H126-S128 WeakPolarHBondContact NE2-CB 3.17Å; H126-S128 PolarHBondContact NE2-OG 2.74Å; H126-I140 WeakPolarHBondContact O-CA 3.22Å; H126-D141 HydrophobicContact CB-CB 4.32Å; H126-D141 PolarHBondContact N-O 3.09Å; H126-D141 PolarHBondContact O-N 3.39Å; H126-H647 HydrophobicContact CB-CB 4.33Å; H126-H647 VanDerWaalsContact CB-ND1 3.28Å; H126-H647 WeakPolarHBondContact CB-ND1 3.41Å; H126-H647 WeakPolarHBondContact CD2-CB 3.34Å; H126-H647 AromaticContact CD2-CD2 3.73Å; H126-H647 AromaticContact CD2-CG 3.3Å; H126-H647 AromaticContact CD2-ND1 3.84Å; H126-H647 AromaticContact CE1-CD2 3.39Å; H126-H647 PolarHBondContact CE1-CD2 2.82Å; H126-H647 AromaticContact CE1-CG 3.8Å; H126-H647 AromaticContact CE1-NE2 3.98Å; H126-H647 AromaticContact CG-CD2 3.44Å; H126-H647 VanDerWaalsContact CG-CD2 3.44Å; H126-H647 AromaticContact CG-CE1 3.6Å; H126-H647 AromaticContact CG-CG 3.18Å; H126-H647 AromaticContact CG-ND1 3.33Å; H126-H647 VanDerWaalsContact CG-ND1 3.33Å; H126-H647 AromaticContact CG-NE2 3.75Å; H126-H647 AromaticContact ND1-CD2 3.23Å; H126-H647 PolarHBondContact ND1-CD2 2.99Å; H126-H647 AromaticContact ND1-CE1 3.7Å; H126-H647 AromaticContact ND1-CG 3.54Å; H126-H647 AromaticContact ND1-ND1 3.84Å; H126-H647 AromaticContact ND1-NE2 3.4Å; H126-H647 PolarHBondContact ND1-NE2 3.4Å; H126-H647 AromaticContact NE2-CD2 3.69Å; H126-H647 AromaticContact NE2-CG 3.68Å
127Q93.3Very high92.3Very high3 Ų330.4 Ų30.41%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-139.9132.7172.4178.9-179.7-38.600109.4T89 R90 R102 F104 F125 L138 N139 I140T89-Q127 PolarHBondContact O-NE2 3.04Å; T89-Q127 PolarHBondContact OG1-NE2 3.44Å; R90-Q127 HydrophobicContact CG-CG 4.44Å; R90-Q127 VanDerWaalsContact CG-NE2 3.35Å; R102-Q127 PolarHBondContact O-N 3.41Å; R102-Q127 VanDerWaalsContact O-O 3.06Å; F104-Q127 HydrophobicContact CD2-CB 4.4Å; F104-Q127 HydrophobicContact CE2-CB 4.07Å; F125-Q127 HydrophobicContact CD2-CB 4.3Å; F125-Q127 HydrophobicContact CE2-CB 4.26Å; Q127-L138 HydrophobicContact CG-CD1 3.73Å; Q127-N139 WeakPolarHBondContact CA-O 3.23Å; Q127-I140 HydrophobicContact CB-CD1 3.84Å; Q127-I140 HydrophobicContact CG-CD1 3.73Å
128S92.7Very high92.3Very high2 Ų232 Ų321%0.01415%0.151CC..EExtended strand (participates in β ladder)trans-152.9142.3168.755.20000110.7H126 N139H126-S128 WeakPolarHBondContact NE2-CB 3.17Å; H126-S128 PolarHBondContact NE2-OG 2.74Å; S128-N139 PolarHBondContact N-O 2.97Å; S128-N139 VanDerWaalsContact N-O 3.13Å; S128-N139 PolarHBondContact O-N 2.93Å
129V93.1Very high92.3Very high17 Ų1733.2 Ų33.210%0.10316%0.158CC..EExtended strand (participates in β ladder)trans-86.2136.9169.9177.20000109.3L85 D86 T89 M136 M137 L138L85-V129 HydrophobicContact CB-CG1 4.09Å; D86-V129 HydrophobicContact CB-CB 4.46Å; T89-V129 HydrophobicContact CG2-CG2 3.98Å; T89-V129 WeakPolarHBondContact OG1-CG2 3.46Å; V129-M136 HydrophobicContact CG1-CE 3.26Å; V129-M137 CarbonylContact C-O 3.58Å; V129-M137 WeakPolarHBondContact CA-O 3.31Å; V129-L138 HydrophobicContact CG2-CD1 3.98Å
130R92.3Very high92.2Very high39 Ų3933.9 Ų33.915%0.14716%0.161CC..EExtended strand (participates in β ladder)trans-136.3136.5179.6-59-173.168.873.73.1111.4M137 E608R130-M137 PolarHBondContact N-O 3.43Å; R130-M137 PolarHBondContact O-N 3.49Å; R130-E608 IonicContact CZ-OE1 3.9Å; R130-E608 IonicContact CZ-OE2 3.44Å; R130-E608 IonicContact NH1-OE1 3.51Å; R130-E608 PolarHBondContact NH1-OE1 2.68Å; R130-E608 IonicContact NH1-OE2 2.75Å; R130-E608 PolarHBondContact NH1-OE2 3.15Å; R130-E608 IonicContact NH2-OE1 2.77Å; R130-E608 PolarHBondContact NH2-OE1 2.84Å; R130-E608 IonicContact NH2-OE2 3.76Å
131P92.7Very high92.2Very high21 Ų2133 Ų3314%0.13616%0.157CC..  trans-68143.3164.931.6-34.6000109.6L70 V77 M136 P678L70-P131 HydrophobicContact CD2-CB 3.75Å; V77-P131 HydrophobicContact CG1-CB 3.91Å; V77-P131 HydrophobicContact CG1-CG 4.07Å; V77-P131 HydrophobicContact CG2-CB 4.19Å; V77-P131 HydrophobicContact CG2-CG 4.4Å; P131-M136 HydrophobicContact CB-SD 4.14Å; P131-P678 HydrophobicContact CB-CG 4.45Å
132A91.4Very high92Very high1 Ų134.2 Ų34.21%0.00817%0.165CC..  trans-146.7164.9172.900000110.7L70 W134 N135 M137 T674 T676L70-A132 WeakPolarHBondContact CD2-O 3.46Å; A132-W134 PolarHBondContact O-N 3.11Å; A132-N135 PolarHBondContact N-O 2.6Å; A132-N135 PolarHBondContact O-N 3.42Å; A132-M137 HydrophobicContact CB-CE 4.2Å; A132-M137 HydrophobicContact CB-CG 3.65Å; A132-T674 WeakPolarHBondContact CB-O 3.46Å; A132-T676 WeakPolarHBondContact CA-O 3.44Å
133M85.3Confident91.8Very high84 Ų8435.1 Ų35.141%0.41417%0.172SC..SBendtrans-51.7-30.9-177.1-68.6178.1176.300115T676 H677M133-T676 PolarHBondContact N-O 3.25Å; M133-T676 VanDerWaalsContact N-O 3.14Å; M133-H677 WeakPolarHBondContact CE-O 3.47Å; M133-H677 WeakPolarHBondContact CG-O 3.19Å
134W74.8Confident91.8Very high204 Ų20433.9 Ų33.977%0.77317%0.171SC*.SBendtrans-93.6-50.9-177.8179.8-108.6000113.1A132 M137A132-W134 PolarHBondContact O-N 3.11Å; W134-M137 HydrophobicContact CB-CE 4.28Å
135N88.1Confident91.9Very high76 Ų7634 Ų3441%0.40617%0.169SC..SBendtrans-162.7177-173.6-152.5-31.3000109.6A132 M137A132-N135 PolarHBondContact N-O 2.6Å; A132-N135 PolarHBondContact O-N 3.42Å; N135-M137 PolarHBondContact O-N 3.29Å
136M93.6Very high92Very high38 Ų3834 Ų3419%0.18717%0.169CC..  trans-64.5130.9164.6-64.2-55.2-63.900110.3L66 L70 V82 L85 V129 P131L66-M136 HydrophobicContact CD1-SD 3.94Å; L66-M136 HydrophobicContact CD2-CE 4.42Å; L66-M136 HydrophobicContact CD2-CG 4.11Å; L66-M136 HydrophobicContact CD2-SD 3.85Å; L66-M136 HydrophobicContact CG-SD 4.15Å; L70-M136 HydrophobicContact CD1-CG 3.88Å; L70-M136 HydrophobicContact CD1-SD 3.82Å; L70-M136 HydrophobicContact CD2-SD 4.05Å; L70-M136 HydrophobicContact CG-SD 4.44Å; V82-M136 HydrophobicContact CG1-CE 4.32Å; V82-M136 HydrophobicContact CG2-CE 4.15Å; L85-M136 HydrophobicContact CD1-CE 4.15Å; L85-M136 HydrophobicContact CD1-CG 4.06Å; V129-M136 HydrophobicContact CG1-CE 3.26Å; P131-M136 HydrophobicContact CB-SD 4.14Å
137M94.1Very high92.1Very high27 Ų2733.6 Ų33.613%0.13317%0.167CC..EExtended strand (participates in β ladder)trans-107.6126.5-179.4-63.3-64.4178.300110.6V129 R130 A132 W134 N135 N139 T331 T674V129-M137 CarbonylContact C-O 3.58Å; V129-M137 WeakPolarHBondContact CA-O 3.31Å; R130-M137 PolarHBondContact N-O 3.43Å; R130-M137 PolarHBondContact O-N 3.49Å; A132-M137 HydrophobicContact CB-CE 4.2Å; A132-M137 HydrophobicContact CB-CG 3.65Å; W134-M137 HydrophobicContact CB-CE 4.28Å; N135-M137 PolarHBondContact O-N 3.29Å; M137-N139 PolarHBondContact O-N 3.47Å; M137-T331 HydrophobicContact CE-CG2 4.14Å; M137-T674 WeakPolarHBondContact CE-O 3.37Å
138L93.6Very high92.3Very high49 Ų4933.6 Ų33.626%0.25717%0.167SC..EExtended strand (participates in β ladder)trans-87.399.5166.7-171.667.6000109.1Q127 V129 I140 V312 V326Q127-L138 HydrophobicContact CG-CD1 3.73Å; V129-L138 HydrophobicContact CG2-CD1 3.98Å; L138-I140 HydrophobicContact CD1-CD1 4.42Å; L138-I140 HydrophobicContact CD2-CD1 4.04Å; L138-I140 HydrophobicContact CD2-CG1 4.21Å; L138-I140 HydrophobicContact CG-CD1 3.87Å; L138-I140 HydrophobicContact CG-CG1 4.05Å; L138-I140 PolarHBondContact O-N 2.82Å; L138-V312 HydrophobicContact CD2-CG1 4.24Å; L138-V326 HydrophobicContact CD2-CG1 3.75Å; L138-V326 HydrophobicContact CD2-CG2 4.17Å
139N94.9Very high92.4Very high26 Ų2636.2 Ų36.214%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-82.8109.2-179.9-175.20.9000110.5Q127 S128 M137 T648Q127-N139 WeakPolarHBondContact CA-O 3.23Å; S128-N139 PolarHBondContact N-O 2.97Å; S128-N139 VanDerWaalsContact N-O 3.13Å; S128-N139 PolarHBondContact O-N 2.93Å; M137-N139 PolarHBondContact O-N 3.47Å; N139-T648 PolarHBondContact ND2-N 3.19Å
140I94.4Very high92.5Very high20 Ų2038.1 Ų38.110%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-111.9134.7179.3-56.8-62.8000110.4H126 Q127 L138 I302 L305 V306 V312H126-I140 WeakPolarHBondContact O-CA 3.22Å; Q127-I140 HydrophobicContact CB-CD1 3.84Å; Q127-I140 HydrophobicContact CG-CD1 3.73Å; L138-I140 HydrophobicContact CD1-CD1 4.42Å; L138-I140 HydrophobicContact CD2-CD1 4.04Å; L138-I140 HydrophobicContact CD2-CG1 4.21Å; L138-I140 HydrophobicContact CG-CD1 3.87Å; L138-I140 HydrophobicContact CG-CG1 4.05Å; L138-I140 PolarHBondContact O-N 2.82Å; I140-I302 HydrophobicContact CG2-CG2 4.35Å; I140-L305 HydrophobicContact CG2-CD2 3.74Å; I140-V306 HydrophobicContact CG2-CG2 4.37Å; I140-V312 HydrophobicContact CD1-CG1 3.9Å; I140-V312 HydrophobicContact CG1-CG1 3.93Å
141D95.3Very high92.7Very high1 Ų136.6 Ų36.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-146.2138.6175.1-176.623.1000110.8F125 H126 R298 H647 R649F125-D141 CarbonylContact C-O 3.59Å; F125-D141 VanDerWaalsContact CA-O 3.3Å; F125-D141 WeakPolarHBondContact CA-O 3.29Å; H126-D141 HydrophobicContact CB-CB 4.32Å; H126-D141 PolarHBondContact N-O 3.09Å; H126-D141 PolarHBondContact O-N 3.39Å; D141-R298 IonicContact OD1-CZ 3.56Å; D141-R298 IonicContact OD1-NE 2.78Å; D141-R298 PolarHBondContact OD1-NE 2.91Å; D141-R298 IonicContact OD1-NH2 3.47Å; D141-R298 PolarHBondContact OD1-NH2 3.37Å; D141-R298 IonicContact OD2-CZ 3.86Å; D141-R298 IonicContact OD2-NH2 2.71Å; D141-R298 PolarHBondContact OD2-NH2 2.73Å; D141-H647 HydrophobicContact CB-CB 4.02Å; D141-H647 IonicContact OD2-ND1 3.56Å; D141-H647 PolarHBondContact OD2-ND1 3.48Å; D141-R649 IonicContact OD2-CZ 3.7Å; D141-R649 IonicContact OD2-NE 2.78Å; D141-R649 IonicContact OD2-NH2 3.89Å; D141-R649 PolarHBondContact OD2-NH2 3.01Å
142V93.3Very high92.9Very high26 Ų2637.9 Ų37.916%0.15820%0.197CC..EExtended strand (participates in β ladder)trans-68139.2172.5-65.70000111R298 E301 I302 L305V142-R298 HydrophobicContact CG2-CG 3.61Å; V142-R298 PolarHBondContact O-NH2 2.91Å; V142-E301 HydrophobicContact CG1-CB 4.11Å; V142-I302 HydrophobicContact CG1-CG1 3.99Å; V142-I302 HydrophobicContact CG2-CG1 4.28Å; V142-L305 HydrophobicContact CG1-CD2 4.44Å
143S91.8Very high93.2Very high27 Ų2737.9 Ų37.919%0.18920%0.197CC..EExtended strand (participates in β ladder)trans-137.2153.9-173.7-166.90000110.9F123 G124F123-S143 CarbonylContact C-O 3.56Å; F123-S143 WeakPolarHBondContact CA-O 3.49Å; G124-S143 PolarHBondContact N-O 3.31Å; G124-S143 PolarHBondContact O-N 3.43Å; G124-S143 VanDerWaalsContact O-O 3.11Å
144A93.2Very high93.7Very high21 Ų2134.7 Ų34.717%0.17418%0.181CC..EExtended strand (participates in β ladder)trans-142137.517600000109.6V121 W122 F123 M287 T291V121-A144 HydrophobicContact CG1-CB 4.01Å; W122-A144 VanDerWaalsContact O-CA 3.32Å; W122-A144 WeakPolarHBondContact O-CA 3.44Å; F123-A144 HydrophobicContact CD1-CB 3.77Å; F123-A144 HydrophobicContact CE1-CB 3.85Å; A144-M287 VanDerWaalsContact O-CE 3.32Å; A144-M287 WeakPolarHBondContact O-CE 3.42Å; A144-T291 HydrophobicContact CB-CG2 3.32Å
145T94.8Very high94.8Very high19 Ų1929.1 Ų29.112%0.11716%0.164CC..EExtended strand (participates in β ladder)trans-143.4158.5176.1-170.10000110.9F105 W122 F147F105-T145 HydrophobicContact CD1-CG2 3.92Å; F105-T145 HydrophobicContact CD2-CG2 4.1Å; F105-T145 HydrophobicContact CE1-CG2 3.6Å; F105-T145 HydrophobicContact CE2-CG2 3.76Å; F105-T145 HydrophobicContact CG-CG2 4.17Å; F105-T145 HydrophobicContact CZ-CG2 3.5Å; W122-T145 PolarHBondContact N-O 3.16Å; W122-T145 PolarHBondContact O-N 3.44Å; W122-T145 VanDerWaalsContact O-N 3.07Å; T145-F147 HydrophobicContact CG2-CD2 3.81Å; T145-F147 HydrophobicContact CG2-CE2 3.28Å; T145-F147 HydrophobicContact CG2-CZ 4.18Å
146A95.7Very high95.2Very high4 Ų425.5 Ų25.53%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-77135.5176.800000111.6L115 E120 C275 L279L115-A146 HydrophobicContact CD1-CB 3.74Å; E120-A146 CarbonylContact O-C 3.48Å; E120-A146 WeakPolarHBondContact O-CA 3.44Å; A146-C275 HydrophobicContact CB-CB 3.87Å; A146-C275 PolarHBondContact O-N 2.79Å; A146-L279 HydrophobicContact CB-CD1 4.27Å; A146-L279 HydrophobicContact CB-CD2 3.96Å
147F96.9Very high95.3Very high0 Ų023.7 Ų23.70%014%0.136CC..EExtended strand (participates in β ladder)trans-122.4156.6170.9-80.6-101.5000109.9T98 V100 F105 R119 E120 W122 T145 G272 Q273 R274T98-F147 HydrophobicContact CG2-CE1 4.09Å; T98-F147 HydrophobicContact CG2-CZ 4.33Å; V100-F147 HydrophobicContact CG2-CZ 4.09Å; F105-F147 HydrophobicContact CB-CE2 3.83Å; F105-F147 HydrophobicContact CB-CZ 3.82Å; F105-F147 HydrophobicContact CD1-CE2 4.25Å; F105-F147 HydrophobicContact CD2-CE2 4.31Å; F105-F147 HydrophobicContact CD2-CZ 4.29Å; F105-F147 AromaticContact CG-CE2 3.87Å; F105-F147 HydrophobicContact CG-CE2 3.87Å; F105-F147 HydrophobicContact CG-CZ 4.11Å; R119-F147 CarbonylContact C-O 3.58Å; R119-F147 VanDerWaalsContact CA-O 3.3Å; R119-F147 WeakPolarHBondContact CA-O 3.48Å; E120-F147 PolarHBondContact N-O 2.8Å; E120-F147 PolarHBondContact O-N 3.21Å; W122-F147 HydrophobicContact CB-CD2 3.43Å; W122-F147 VanDerWaalsContact CB-CD2 3.43Å; W122-F147 HydrophobicContact CB-CE2 3.67Å; W122-F147 HydrophobicContact CB-CG 4.27Å; W122-F147 HydrophobicContact CD2-CB 3.96Å; W122-F147 AromaticContact CD2-CD1 3.9Å; W122-F147 HydrophobicContact CD2-CD1 3.9Å; W122-F147 AromaticContact CD2-CD2 3.57Å; W122-F147 HydrophobicContact CD2-CD2 3.57Å; W122-F147 HydrophobicContact CD2-CE1 4.28Å; W122-F147 AromaticContact CD2-CE2 3.92Å; W122-F147 HydrophobicContact CD2-CE2 3.92Å; W122-F147 AromaticContact CD2-CG 3.54Å; W122-F147 HydrophobicContact CD2-CG 3.54Å; W122-F147 HydrophobicContact CD2-CZ 4.29Å; W122-F147 AromaticContact CE2-CG 3.9Å; W122-F147 AromaticContact CE3-CD1 3.85Å; W122-F147 HydrophobicContact CE3-CD1 3.85Å; W122-F147 AromaticContact CE3-CD2 3.9Å; W122-F147 HydrophobicContact CE3-CD2 3.9Å; W122-F147 AromaticContact CE3-CE1 3.78Å; W122-F147 HydrophobicContact CE3-CE1 3.78Å; W122-F147 AromaticContact CE3-CE2 3.77Å; W122-F147 HydrophobicContact CE3-CE2 3.77Å; W122-F147 AromaticContact CE3-CG 3.92Å; W122-F147 HydrophobicContact CE3-CG 3.92Å; W122-F147 AromaticContact CE3-CZ 3.74Å; W122-F147 HydrophobicContact CE3-CZ 3.74Å; W122-F147 HydrophobicContact CG-CB 3.92Å; W122-F147 AromaticContact CG-CD2 3.35Å; W122-F147 HydrophobicContact CG-CD2 3.35Å; W122-F147 AromaticContact CG-CE2 3.91Å; W122-F147 HydrophobicContact CG-CE2 3.91Å; W122-F147 AromaticContact CG-CG 3.69Å; W122-F147 HydrophobicContact CG-CG 3.69Å; W122-F147 HydrophobicContact CH2-CD1 4.42Å; W122-F147 HydrophobicContact CZ2-CD1 4.45Å; W122-F147 HydrophobicContact CZ3-CD1 4.11Å; W122-F147 AromaticContact CZ3-CE1 4Å; W122-F147 HydrophobicContact CZ3-CE1 4Å; W122-F147 HydrophobicContact CZ3-CZ 4.32Å; T145-F147 HydrophobicContact CG2-CD2 3.81Å; T145-F147 HydrophobicContact CG2-CE2 3.28Å; T145-F147 HydrophobicContact CG2-CZ 4.18Å; F147-G272 WeakPolarHBondContact CE1-O 3.48Å; F147-Q273 WeakPolarHBondContact CA-O 3.48Å; F147-Q273 VanDerWaalsContact CD1-C 3.42Å; F147-R274 HydrophobicContact CD1-CB 4.39Å; F147-R274 HydrophobicContact CE1-CB 4.08Å; F147-R274 HydrophobicContact CZ-CB 4.34Å
148Y96.3Very high95.4Very high3 Ų323.3 Ų23.31%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-78131.5167.6-68.8-78000109.4G118 R119 F156 L188 Q273 C275G118-Y148 WeakPolarHBondContact O-CA 3.15Å; R119-Y148 HydrophobicContact CG-CD1 4.15Å; R119-Y148 HydrophobicContact CG-CE1 4.14Å; Y148-F156 AromaticContact CD1-CE2 3.85Å; Y148-F156 HydrophobicContact CD1-CE2 3.85Å; Y148-F156 HydrophobicContact CD1-CZ 4.36Å; Y148-F156 HydrophobicContact CE1-CE2 4.15Å; Y148-F156 HydrophobicContact CE1-CZ 4.27Å; Y148-L188 HydrophobicContact CD1-CD1 3.84Å; Y148-L188 HydrophobicContact CD2-CD1 4.13Å; Y148-L188 HydrophobicContact CD2-CD2 3.69Å; Y148-L188 HydrophobicContact CE1-CD1 3.76Å; Y148-L188 HydrophobicContact CE1-CD2 4.47Å; Y148-L188 HydrophobicContact CE2-CD1 4.07Å; Y148-L188 HydrophobicContact CE2-CD2 3.32Å; Y148-L188 HydrophobicContact CE2-CG 4.35Å; Y148-L188 HydrophobicContact CG-CD1 4.02Å; Y148-L188 HydrophobicContact CG-CD2 4.4Å; Y148-Q273 HydrophobicContact CD2-CB 4.29Å; Y148-Q273 WeakPolarHBondContact CD2-O 3.07Å; Y148-Q273 PolarHBondContact N-O 3.42Å; Y148-C275 HydrophobicContact CD2-CB 4.35Å; Y148-C275 HydrophobicContact CE2-CB 3.97Å
149R95.8Very high95.4Very high58 Ų5823 Ų2322%0.21913%0.133CC..  trans-64.2136.3178.6-168.3177.995.6-167.115.7109.4G118 E120 Q151 E155 E159 I269G118-R149 PolarHBondContact O-N 2.74Å; E120-R149 HydrophobicContact CG-CB 4.44Å; R149-Q151 HydrophobicContact CB-CG 4.37Å; R149-Q151 HydrophobicContact CG-CB 4.43Å; R149-Q151 PolarHBondContact O-N 3.39Å; R149-Q151 VanDerWaalsContact O-N 3.15Å; R149-E155 IonicContact NH2-OE2 3.51Å; R149-E155 PolarHBondContact NH2-OE2 3.23Å; R149-E159 IonicContact CZ-OE1 3.71Å; R149-E159 VanDerWaalsContact CZ-OE1 3.3Å; R149-E159 IonicContact NE-OE1 3.86Å; R149-E159 IonicContact NH1-OE1 2.75Å; R149-E159 PolarHBondContact NH1-OE1 3.41Å; R149-E159 IonicContact NH2-OE1 3.78Å; R149-I269 WeakPolarHBondContact O-CB 3.37Å; R149-I269 VanDerWaalsContact O-CG2 3.32Å; R149-I269 WeakPolarHBondContact O-CG2 3.36Å
150A95.3Very high95.3Very high57 Ų5722.1 Ų22.147%0.47113%0.128SC..  trans-73.3102.6169.900000108.8A271A150-A271 HydrophobicContact CB-CB 3.81Å
151Q95.7Very high95.3Very high6 Ų622 Ų223%0.02813%0.128CC..  trans-154.6162.6-173.165.4175.9-43.700112G118 R149 F156 E159 N268 I269G118-Q151 VanDerWaalsContact CA-NE2 3.33Å; R149-Q151 HydrophobicContact CB-CG 4.37Å; R149-Q151 HydrophobicContact CG-CB 4.43Å; R149-Q151 PolarHBondContact O-N 3.39Å; R149-Q151 VanDerWaalsContact O-N 3.15Å; Q151-F156 HydrophobicContact CG-CB 4.17Å; Q151-E159 PolarHBondContact NE2-OE1 3.49Å; Q151-E159 PolarHBondContact OE1-OE1 2.89Å; Q151-N268 CarbonylContact O-C 3.43Å; Q151-N268 WeakPolarHBondContact O-CA 3.4Å; Q151-I269 PolarHBondContact O-N 3.11Å
152P97.4Very high95.1Very high48 Ų4828.1 Ų28.131%0.31216%0.16SC..BIsolated β-bridgetrans-55142.9170.5-25.335.4000112.6I154 E155 F156 N268P152-I154 PolarHBondContact O-N 2.87Å; P152-E155 HydrophobicContact CB-CG 4.34Å; P152-E155 HydrophobicContact CG-CG 4.43Å; P152-E155 PolarHBondContact O-N 2.75Å; P152-E155 VanDerWaalsContact O-N 3.13Å; P152-F156 PolarHBondContact O-N 3.43Å; P152-N268 WeakPolarHBondContact CA-OD1 3.36Å
153I97.3Very high95Very high1 Ų128.1 Ų28.11%0.00516%0.159CC..Hα-helixtrans-63.9-28.8-179.9-66.2-71000112.1F156 M157 F181 I185 V190 L251 L264 C267 I269I153-F156 PolarHBondContact O-N 3.39Å; I153-M157 WeakPolarHBondContact O-CB 3.41Å; I153-M157 PolarHBondContact O-N 2.64Å; I153-F181 HydrophobicContact CG2-CZ 3.92Å; I153-I185 HydrophobicContact CD1-CD1 3.53Å; I153-V190 HydrophobicContact CD1-CG1 3.59Å; I153-V190 HydrophobicContact CG1-CG1 4.23Å; I153-L251 HydrophobicContact CD1-CD1 4.36Å; I153-L251 HydrophobicContact CG1-CD1 4.21Å; I153-L251 HydrophobicContact CG2-CD1 4.28Å; I153-L264 HydrophobicContact CG2-CB 4.01Å; I153-L264 HydrophobicContact CG2-CD2 4Å; I153-L264 HydrophobicContact CG2-CG 4.41Å; I153-C267 HydrophobicContact CB-CB 4.25Å; I153-C267 HydrophobicContact CG1-CB 3.51Å; I153-C267 VanDerWaalsContact CG1-O 3.31Å; I153-C267 WeakPolarHBondContact CG1-O 3.48Å; I153-C267 PolarHBondContact N-O 3.31Å; I153-I269 HydrophobicContact CD1-CD1 3.34Å; I153-I269 HydrophobicContact CD1-CG1 3.67Å
154I96.8Very high94.7Very high18 Ų1836.1 Ų36.19%0.09219%0.194CC..Hα-helixtrans-60.8-48.7173.5-63.6-66.3000110.9P152 M157 C158 I166 Y245 L248 L264 E265P152-I154 PolarHBondContact O-N 2.87Å; I154-M157 WeakPolarHBondContact O-CB 3.41Å; I154-M157 PolarHBondContact O-N 2.88Å; I154-C158 PolarHBondContact O-N 2.83Å; I154-C158 PolarHBondContact O-SG 3.23Å; I154-I166 HydrophobicContact CG2-CB 4.21Å; I154-I166 HydrophobicContact CG2-CD1 4.07Å; I154-I166 HydrophobicContact CG2-CG1 3.73Å; I154-I166 HydrophobicContact CG2-CG2 4.43Å; I154-Y245 HydrophobicContact CD1-CD2 4.01Å; I154-Y245 HydrophobicContact CG1-CD2 4.38Å; I154-Y245 HydrophobicContact CG1-CE2 4.49Å; I154-L248 HydrophobicContact CD1-CD1 3.67Å; I154-L264 HydrophobicContact CD1-CB 3.6Å; I154-L264 HydrophobicContact CD1-CD1 4.39Å; I154-L264 HydrophobicContact CG1-CB 4.34Å; I154-E265 HydrophobicContact CD1-CB 4.47Å; I154-E265 HydrophobicContact CG1-CB 4.19Å
155E95.9Very high94.4Very high87 Ų8738.2 Ų38.241%0.40720%0.202SC..Hα-helixtrans-64.3-42.8177.3-67.2179-161.700111.5R149 P152 M157 C158 E159R149-E155 IonicContact NH2-OE2 3.51Å; R149-E155 PolarHBondContact NH2-OE2 3.23Å; P152-E155 HydrophobicContact CB-CG 4.34Å; P152-E155 HydrophobicContact CG-CG 4.43Å; P152-E155 PolarHBondContact O-N 2.75Å; P152-E155 VanDerWaalsContact O-N 3.13Å; E155-M157 VanDerWaalsContact C-N 3.32Å; E155-M157 PolarHBondContact O-N 2.55Å; E155-C158 WeakPolarHBondContact O-CB 3.44Å; E155-C158 PolarHBondContact O-N 3.41Å; E155-C158 VanDerWaalsContact O-N 3.15Å; E155-E159 PolarHBondContact O-N 3.05Å
156F96.8Very high94Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-57.8-44.2175178.7-98.7000111.9Y148 Q151 P152 I153 E159 V160 F181 E184 I185 L188 I269Y148-F156 AromaticContact CD1-CE2 3.85Å; Y148-F156 HydrophobicContact CD1-CE2 3.85Å; Y148-F156 HydrophobicContact CD1-CZ 4.36Å; Y148-F156 HydrophobicContact CE1-CE2 4.15Å; Y148-F156 HydrophobicContact CE1-CZ 4.27Å; Q151-F156 HydrophobicContact CG-CB 4.17Å; P152-F156 PolarHBondContact O-N 3.43Å; I153-F156 PolarHBondContact O-N 3.39Å; F156-E159 PolarHBondContact O-N 2.88Å; F156-V160 HydrophobicContact CD1-CG2 4.37Å; F156-V160 HydrophobicContact CE1-CG2 3.9Å; F156-V160 HydrophobicContact CE2-CG2 4.17Å; F156-V160 HydrophobicContact CZ-CG2 3.78Å; F156-V160 WeakPolarHBondContact O-CG2 3.27Å; F156-V160 PolarHBondContact O-N 3.46Å; F156-F181 AromaticContact CD1-CE2 3.91Å; F156-F181 HydrophobicContact CD1-CE2 3.91Å; F156-F181 HydrophobicContact CE1-CE2 4.16Å; F156-E184 HydrophobicContact CE1-CB 4.37Å; F156-E184 HydrophobicContact CZ-CB 4.21Å; F156-I185 HydrophobicContact CD1-CD1 3.72Å; F156-I185 HydrophobicContact CE1-CB 4.15Å; F156-I185 HydrophobicContact CE1-CD1 3.6Å; F156-I185 HydrophobicContact CE1-CG1 4.48Å; F156-I185 HydrophobicContact CZ-CD1 4.48Å; F156-L188 HydrophobicContact CZ-CD1 4.16Å; F156-I269 HydrophobicContact CB-CG1 4.29Å; F156-I269 HydrophobicContact CD1-CD1 4.39Å; F156-I269 HydrophobicContact CD2-CD1 4.4Å; F156-I269 HydrophobicContact CD2-CG1 4.3Å; F156-I269 HydrophobicContact CG-CD1 4.25Å; F156-I269 HydrophobicContact CG-CG1 4.21Å
157M96.4Very high93.4Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-61.8-44.7175.6-177.3-169.370.400111.2I153 I154 E155 E159 V160 L161 I166 L173 F181 L248 L264I153-M157 WeakPolarHBondContact O-CB 3.41Å; I153-M157 PolarHBondContact O-N 2.64Å; I154-M157 WeakPolarHBondContact O-CB 3.41Å; I154-M157 PolarHBondContact O-N 2.88Å; E155-M157 VanDerWaalsContact C-N 3.32Å; E155-M157 PolarHBondContact O-N 2.55Å; M157-E159 PolarHBondContact O-N 2.92Å; M157-V160 PolarHBondContact O-N 3.27Å; M157-L161 HydrophobicContact CG-CD1 3.71Å; M157-L161 HydrophobicContact CG-CG 4.25Å; M157-L161 WeakPolarHBondContact O-CB 3.17Å; M157-L161 WeakPolarHBondContact O-CG 3.37Å; M157-L161 PolarHBondContact O-N 3.46Å; M157-L161 HydrophobicContact SD-CD1 4.35Å; M157-I166 HydrophobicContact CE-CD1 3.46Å; M157-I166 VanDerWaalsContact CE-CD1 3.46Å; M157-L173 HydrophobicContact SD-CD1 3.92Å; M157-L173 HydrophobicContact SD-CD2 4.3Å; M157-F181 HydrophobicContact CB-CD2 3.96Å; M157-F181 HydrophobicContact CB-CE2 3.63Å; M157-F181 HydrophobicContact CB-CZ 4.2Å; M157-F181 HydrophobicContact CG-CD2 3.83Å; M157-F181 HydrophobicContact CG-CE2 3.93Å; M157-F181 HydrophobicContact CG-CG 4.2Å; M157-F181 HydrophobicContact CG-CZ 4.41Å; M157-L248 HydrophobicContact CE-CD1 3.91Å; M157-L248 HydrophobicContact CE-CD2 4.25Å; M157-L248 HydrophobicContact SD-CD2 4.48Å; M157-L264 HydrophobicContact SD-CD1 3.73Å
158C95.1Very high92.6Very high18 Ų1850 Ų5012%0.12226%0.259CS..Hα-helixtrans-58.9-46.1176.9-75.40000112I154 E155 V160 L161 D162 I163I154-C158 PolarHBondContact O-N 2.83Å; I154-C158 PolarHBondContact O-SG 3.23Å; E155-C158 WeakPolarHBondContact O-CB 3.44Å; E155-C158 PolarHBondContact O-N 3.41Å; E155-C158 VanDerWaalsContact O-N 3.15Å; C158-V160 VanDerWaalsContact C-N 3.33Å; C158-V160 PolarHBondContact O-N 2.96Å; C158-L161 PolarHBondContact O-N 3.03Å; C158-D162 WeakPolarHBondContact O-CA 3.4Å; C158-D162 PolarHBondContact O-N 2.83Å; C158-I163 HydrophobicContact CB-CB 4.31Å; C158-I163 WeakPolarHBondContact CB-O 3.19Å; C158-I163 PolarHBondContact O-N 3.08Å
159E94.3Very high91.8Very high44 Ų4451.4 Ų51.421%0.20627%0.265CS..Hα-helixtrans-63.3-35.6176.1-73.7-165.5-129.700113.3G117 G118 R149 Q151 E155 F156 M157G117-E159 PolarHBondContact N-OE2 3.14Å; G118-E159 VanDerWaalsContact CA-OE2 3.24Å; G118-E159 WeakPolarHBondContact CA-OE2 3.31Å; G118-E159 PolarHBondContact N-OE2 3.17Å; R149-E159 IonicContact CZ-OE1 3.71Å; R149-E159 VanDerWaalsContact CZ-OE1 3.3Å; R149-E159 IonicContact NE-OE1 3.86Å; R149-E159 IonicContact NH1-OE1 2.75Å; R149-E159 PolarHBondContact NH1-OE1 3.41Å; R149-E159 IonicContact NH2-OE1 3.78Å; Q151-E159 PolarHBondContact NE2-OE1 3.49Å; Q151-E159 PolarHBondContact OE1-OE1 2.89Å; E155-E159 PolarHBondContact O-N 3.05Å; F156-E159 PolarHBondContact O-N 2.88Å; M157-E159 PolarHBondContact O-N 2.92Å
160V94Very high91.1Very high7 Ų753.5 Ų53.54%0.04229%0.285CS..Hα-helixtrans-75.2-35.9179.6166.30000112F156 M157 C158 K180 E184F156-V160 HydrophobicContact CD1-CG2 4.37Å; F156-V160 HydrophobicContact CE1-CG2 3.9Å; F156-V160 HydrophobicContact CE2-CG2 4.17Å; F156-V160 HydrophobicContact CZ-CG2 3.78Å; F156-V160 WeakPolarHBondContact O-CG2 3.27Å; F156-V160 PolarHBondContact O-N 3.46Å; M157-V160 PolarHBondContact O-N 3.27Å; C158-V160 VanDerWaalsContact C-N 3.33Å; C158-V160 PolarHBondContact O-N 2.96Å; V160-K180 HydrophobicContact CG1-CG 4.39Å; V160-K180 WeakPolarHBondContact O-CE 3.47Å; V160-K180 PolarHBondContact O-NZ 3.07Å; V160-E184 HydrophobicContact CG1-CB 3.99Å; V160-E184 HydrophobicContact CG1-CG 3.72Å; V160-E184 HydrophobicContact CG2-CB 4.02Å; V160-E184 HydrophobicContact CG2-CG 4.12Å
161L93.4Very high90.8Very high17 Ų1758.1 Ų58.19%0.08929%0.294CS..Hα-helixtrans-95.92.2-176.3-60.6-175.1000113.4M157 C158 I163 L173 Q177 K180 F181M157-L161 HydrophobicContact CG-CD1 3.71Å; M157-L161 HydrophobicContact CG-CG 4.25Å; M157-L161 WeakPolarHBondContact O-CB 3.17Å; M157-L161 WeakPolarHBondContact O-CG 3.37Å; M157-L161 PolarHBondContact O-N 3.46Å; M157-L161 HydrophobicContact SD-CD1 4.35Å; C158-L161 PolarHBondContact O-N 3.03Å; L161-I163 HydrophobicContact CB-CD1 3.77Å; L161-I163 HydrophobicContact CB-CG1 3.84Å; L161-I163 HydrophobicContact CD1-CD1 3.99Å; L161-I163 PolarHBondContact O-N 3.5Å; L161-L173 HydrophobicContact CD1-CD1 4.17Å; L161-L173 HydrophobicContact CD1-CD2 3.86Å; L161-Q177 HydrophobicContact CD1-CB 4.13Å; L161-Q177 HydrophobicContact CD2-CB 4.16Å; L161-Q177 HydrophobicContact CD2-CG 4.45Å; L161-Q177 WeakPolarHBondContact CD2-O 3.43Å; L161-K180 HydrophobicContact CD2-CB 4.11Å; L161-K180 HydrophobicContact CD2-CD 4.01Å; L161-K180 HydrophobicContact CD2-CG 4.24Å; L161-F181 HydrophobicContact CD2-CB 4.28Å
162D91Very high90.6Very high130 Ų13061.4 Ų61.470%0.69532%0.316SS*.THydrogen-bonded Turntrans55.937.1-176.5-56-60.8000112.4C158 K180C158-D162 WeakPolarHBondContact O-CA 3.4Å; C158-D162 PolarHBondContact O-N 2.83Å; D162-K180 IonicContact OD2-NZ 2.57Å; D162-K180 PolarHBondContact OD2-NZ 3.22Å
163I90.8Very high90.4Very high25 Ų2559.8 Ų59.813%0.12831%0.305CS..  trans-88.8116.2176.8-61.1170.1000108.1C158 L161 N165 Q169C158-I163 HydrophobicContact CB-CB 4.31Å; C158-I163 WeakPolarHBondContact CB-O 3.19Å; C158-I163 PolarHBondContact O-N 3.08Å; L161-I163 HydrophobicContact CB-CD1 3.77Å; L161-I163 HydrophobicContact CB-CG1 3.84Å; L161-I163 HydrophobicContact CD1-CD1 3.99Å; L161-I163 PolarHBondContact O-N 3.5Å; I163-N165 WeakPolarHBondContact CG2-O 3.4Å; I163-Q169 HydrophobicContact CD1-CG 4.48Å
164Q86.8Confident90.2Very high196 Ų19663.5 Ų63.592%0.91633%0.328SS*.SBendtrans-72.3-39.1-178.9-66-165.1-12.800112.9
165N86.1Confident89.9Confident65 Ų6566.3 Ų66.335%0.34834%0.343SS..  trans-135.6118.1-178.1-173.9-5.7000110.6I163 N167 E168I163-N165 WeakPolarHBondContact CG2-O 3.4Å; N165-N167 PolarHBondContact O-N 3.03Å; N165-N167 WeakPolarHBondContact OD1-CB 3.49Å; N165-N167 PolarHBondContact OD1-N 3.25Å; N165-E168 HydrophobicContact CB-CG 4.1Å; N165-E168 PolarHBondContact O-N 3.11Å; N165-E168 VanDerWaalsContact O-N 3.16Å
166I86.1Confident89.7Confident22 Ų2266.7 Ų66.711%0.11336%0.355CS..G310 helixtrans-61.6-27.4179.6-170.863000112.6I154 M157 E168 Q169 Y245 L248I154-I166 HydrophobicContact CG2-CB 4.21Å; I154-I166 HydrophobicContact CG2-CD1 4.07Å; I154-I166 HydrophobicContact CG2-CG1 3.73Å; I154-I166 HydrophobicContact CG2-CG2 4.43Å; M157-I166 HydrophobicContact CE-CD1 3.46Å; M157-I166 VanDerWaalsContact CE-CD1 3.46Å; I166-E168 PolarHBondContact O-N 3.41Å; I166-Q169 HydrophobicContact CD1-CB 4.33Å; I166-Q169 WeakPolarHBondContact O-CB 3.44Å; I166-Q169 PolarHBondContact O-N 3.2Å; I166-Y245 HydrophobicContact CG1-CD1 4.17Å; I166-Y245 HydrophobicContact CG1-CE1 3.79Å; I166-Y245 HydrophobicContact CG2-CE1 4.15Å; I166-Y245 WeakPolarHBondContact CG2-OH 3.45Å; I166-L248 HydrophobicContact CD1-CD1 4.27Å
167N84.3Confident89.5Confident108 Ų10869.1 Ų69.158%0.57837%0.367SS*.G310 helixtrans-70.2-20.1-178.9-62.3-29.3000112.7N165 Q169N165-N167 PolarHBondContact O-N 3.03Å; N165-N167 WeakPolarHBondContact OD1-CB 3.49Å; N165-N167 PolarHBondContact OD1-N 3.25Å; N167-Q169 VanDerWaalsContact C-N 3.31Å
168E78.9Confident89.5Confident140 Ų14070.5 Ų70.565%0.65437%0.372SS*.G310 helixtrans-77.7-21.6173.2-66172.6-165.100111.8N165 I166 T170N165-E168 HydrophobicContact CB-CG 4.1Å; N165-E168 PolarHBondContact O-N 3.11Å; N165-E168 VanDerWaalsContact O-N 3.16Å; I166-E168 PolarHBondContact O-N 3.41Å; E168-T170 VanDerWaalsContact C-N 3.29Å; E168-T170 PolarHBondContact O-N 2.91Å
169Q80.1Confident89.3Confident32 Ų3271.9 Ų71.915%0.1538%0.38CS..  trans-82.473.7176.4-169.565.341.300110.1I163 I166 N167 K171 L173 H247I163-Q169 HydrophobicContact CD1-CG 4.48Å; I166-Q169 HydrophobicContact CD1-CB 4.33Å; I166-Q169 WeakPolarHBondContact O-CB 3.44Å; I166-Q169 PolarHBondContact O-N 3.2Å; N167-Q169 VanDerWaalsContact C-N 3.31Å; Q169-K171 PolarHBondContact NE2-O 2.91Å; Q169-L173 HydrophobicContact CG-CD2 4.45Å; Q169-H247 PolarHBondContact O-NE2 2.87Å
170T80.6Confident89.2Confident103 Ų10374.2 Ų74.263%0.63239%0.389SS*.  trans-83.9-15.1178560000113.5E168E168-T170 VanDerWaalsContact C-N 3.29Å; E168-T170 PolarHBondContact O-N 2.91Å
171K88.4Confident89.3Confident153 Ų15373.9 Ų73.967%0.66539%0.387SS*.SBendtrans-102155.1179.8-65.3-176.5-178.2178.50111.7Q169Q169-K171 PolarHBondContact NE2-O 2.91Å
172P91.8Very high89.4Confident76 Ų7674.1 Ų74.149%0.49439%0.389SS..PPolyproline II helixtrans-54.4154.3169.4-24.134000112.2
173L93Very high89.3Confident14 Ų1470.8 Ų70.87%0.07337%0.369CS..PPolyproline II helixtrans-62.3137.6175-59-178.2000110.5M157 L161 Q169 Q177 R178 L248 P249M157-L173 HydrophobicContact SD-CD1 3.92Å; M157-L173 HydrophobicContact SD-CD2 4.3Å; L161-L173 HydrophobicContact CD1-CD1 4.17Å; L161-L173 HydrophobicContact CD1-CD2 3.86Å; Q169-L173 HydrophobicContact CG-CD2 4.45Å; L173-Q177 HydrophobicContact CB-CB 4.21Å; L173-R178 HydrophobicContact CB-CB 4.34Å; L173-L248 HydrophobicContact CD2-CD2 4.25Å; L173-L248 HydrophobicContact CG-CD2 4.27Å; L173-P249 HydrophobicContact CD1-CG 4.04Å
174T93.9Very high89.4Confident78 Ų7871.7 Ų71.748%0.47937%0.372SS..PPolyproline II helixtrans-60.8158.316861.90000110.7S176 Q177 R178T174-S176 PolarHBondContact O-N 3.49Å; T174-Q177 PolarHBondContact O-N 2.99Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.48Å; T174-Q177 VanDerWaalsContact OG1-CG 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.48Å; T174-Q177 PolarHBondContact OG1-N 3.07Å; T174-Q177 PolarHBondContact OG1-OE1 3.25Å; T174-R178 WeakPolarHBondContact O-CB 3.26Å; T174-R178 PolarHBondContact O-N 3.34Å
175D91.2Very high89.8Confident78 Ų7862.3 Ų62.342%0.41733%0.328SS..Hα-helixtrans-56.9-38.8178.2-79.5-6.9000111.9R178 V179 R209D175-R178 VanDerWaalsContact CG-NH2 3.28Å; D175-R178 IonicContact OD1-CZ 3.94Å; D175-R178 IonicContact OD1-NH1 2.84Å; D175-R178 PolarHBondContact OD1-NH1 2.87Å; D175-R178 IonicContact OD1-NH2 3.66Å; D175-R178 PolarHBondContact OD1-NH2 2.9Å; D175-R178 IonicContact OD2-NH2 3.05Å; D175-V179 WeakPolarHBondContact O-CB 3.39Å; D175-V179 WeakPolarHBondContact O-CG2 3.48Å; D175-V179 PolarHBondContact O-N 3.39Å; D175-R209 IonicContact OD1-NH2 3.94Å; D175-R209 IonicContact OD2-CZ 3.95Å; D175-R209 IonicContact OD2-NH2 3.24Å; D175-R209 PolarHBondContact OD2-NH2 2.93Å
176S90.6Very high90.2Very high95 Ų9565.3 Ų65.366%0.66434%0.335SS*.Hα-helixtrans-63.4-49.5175.8-178.90000112.4T174 R178 V179 K180T174-S176 PolarHBondContact O-N 3.49Å; S176-R178 PolarHBondContact O-N 2.96Å; S176-V179 PolarHBondContact O-N 2.89Å; S176-K180 PolarHBondContact O-N 2.96Å
177Q93.4Very high90.5Very high50 Ų5065.8 Ų65.823%0.23435%0.345CS..Hα-helixtrans-61.2-45.8176.7-75.7167.5-41.800111.7L161 L173 T174 V179 K180 F181L161-Q177 HydrophobicContact CD1-CB 4.13Å; L161-Q177 HydrophobicContact CD2-CB 4.16Å; L161-Q177 HydrophobicContact CD2-CG 4.45Å; L161-Q177 WeakPolarHBondContact CD2-O 3.43Å; L173-Q177 HydrophobicContact CB-CB 4.21Å; T174-Q177 PolarHBondContact O-N 2.99Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.48Å; T174-Q177 VanDerWaalsContact OG1-CG 3.27Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.48Å; T174-Q177 PolarHBondContact OG1-N 3.07Å; T174-Q177 PolarHBondContact OG1-OE1 3.25Å; Q177-V179 VanDerWaalsContact C-N 3.33Å; Q177-V179 PolarHBondContact O-N 3.14Å; Q177-K180 PolarHBondContact O-N 2.93Å; Q177-F181 WeakPolarHBondContact O-CB 3.24Å; Q177-F181 PolarHBondContact O-N 3.15Å
178R95.4Very high91Very high30 Ų3061.2 Ų61.211%0.11332%0.32CS..Hα-helixtrans-57.9-48.4177.5-176-176.662.9-111.7-4.9110.2L173 T174 D175 S176 K180 F181 T182 V207 T208L173-R178 HydrophobicContact CB-CB 4.34Å; T174-R178 WeakPolarHBondContact O-CB 3.26Å; T174-R178 PolarHBondContact O-N 3.34Å; D175-R178 VanDerWaalsContact CG-NH2 3.28Å; D175-R178 IonicContact OD1-CZ 3.94Å; D175-R178 IonicContact OD1-NH1 2.84Å; D175-R178 PolarHBondContact OD1-NH1 2.87Å; D175-R178 IonicContact OD1-NH2 3.66Å; D175-R178 PolarHBondContact OD1-NH2 2.9Å; D175-R178 IonicContact OD2-NH2 3.05Å; S176-R178 PolarHBondContact O-N 2.96Å; R178-K180 PolarHBondContact O-N 3.15Å; R178-F181 PolarHBondContact O-N 3.39Å; R178-T182 WeakPolarHBondContact O-CB 3.41Å; R178-T182 PolarHBondContact O-N 2.94Å; R178-T182 PolarHBondContact O-OG1 3.04Å; R178-V207 HydrophobicContact CG-CG1 4.34Å; R178-T208 WeakPolarHBondContact CD-O 3.33Å
179V92.1Very high91.8Very high47 Ų4758.7 Ų58.729%0.28531%0.307SS..Hα-helixtrans-64-41179.9173.10000111.9D175 S176 Q177 T182 K183 H764D175-V179 WeakPolarHBondContact O-CB 3.39Å; D175-V179 WeakPolarHBondContact O-CG2 3.48Å; D175-V179 PolarHBondContact O-N 3.39Å; S176-V179 PolarHBondContact O-N 2.89Å; Q177-V179 VanDerWaalsContact C-N 3.33Å; Q177-V179 PolarHBondContact O-N 3.14Å; V179-T182 PolarHBondContact O-N 3.41Å; V179-K183 HydrophobicContact CG1-CD 4.47Å; V179-K183 HydrophobicContact CG1-CG 4.49Å; V179-K183 WeakPolarHBondContact O-CB 3.48Å; V179-K183 WeakPolarHBondContact O-CG 3.48Å; V179-K183 PolarHBondContact O-N 2.77Å; V179-H764 WeakPolarHBondContact CG1-CE1 3.42Å
180K92Very high92.6Very high93 Ų9357.2 Ų57.240%0.40430%0.3SS..Hα-helixtrans-57.9-48.1173.6-172.7-177.8-178.7-1600110.9V160 L161 D162 S176 Q177 R178 K183 E184V160-K180 HydrophobicContact CG1-CG 4.39Å; V160-K180 WeakPolarHBondContact O-CE 3.47Å; V160-K180 PolarHBondContact O-NZ 3.07Å; L161-K180 HydrophobicContact CD2-CB 4.11Å; L161-K180 HydrophobicContact CD2-CD 4.01Å; L161-K180 HydrophobicContact CD2-CG 4.24Å; D162-K180 IonicContact OD2-NZ 2.57Å; D162-K180 PolarHBondContact OD2-NZ 3.22Å; S176-K180 PolarHBondContact O-N 2.96Å; Q177-K180 PolarHBondContact O-N 2.93Å; R178-K180 PolarHBondContact O-N 3.15Å; K180-K183 PolarHBondContact O-N 3.49Å; K180-E184 PolarHBondContact O-N 3.12Å
181F95.8Very high93.3Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-63.5-47.2177.1176.3-117.1000112.7I153 F156 M157 L161 Q177 R178 K183 E184 I185 V207 L251 L264I153-F181 HydrophobicContact CG2-CZ 3.92Å; F156-F181 AromaticContact CD1-CE2 3.91Å; F156-F181 HydrophobicContact CD1-CE2 3.91Å; F156-F181 HydrophobicContact CE1-CE2 4.16Å; M157-F181 HydrophobicContact CB-CD2 3.96Å; M157-F181 HydrophobicContact CB-CE2 3.63Å; M157-F181 HydrophobicContact CB-CZ 4.2Å; M157-F181 HydrophobicContact CG-CD2 3.83Å; M157-F181 HydrophobicContact CG-CE2 3.93Å; M157-F181 HydrophobicContact CG-CG 4.2Å; M157-F181 HydrophobicContact CG-CZ 4.41Å; L161-F181 HydrophobicContact CD2-CB 4.28Å; Q177-F181 WeakPolarHBondContact O-CB 3.24Å; Q177-F181 PolarHBondContact O-N 3.15Å; R178-F181 PolarHBondContact O-N 3.39Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.47Å; F181-E184 PolarHBondContact O-N 3.43Å; F181-I185 HydrophobicContact CD1-CG2 4.4Å; F181-I185 HydrophobicContact CE1-CG2 4.1Å; F181-I185 HydrophobicContact CE2-CB 4.17Å; F181-I185 HydrophobicContact CE2-CG2 4.42Å; F181-I185 HydrophobicContact CZ-CB 4.17Å; F181-I185 HydrophobicContact CZ-CG1 4.33Å; F181-I185 HydrophobicContact CZ-CG2 4.11Å; F181-I185 WeakPolarHBondContact O-CG2 3.42Å; F181-I185 PolarHBondContact O-N 2.93Å; F181-V207 HydrophobicContact CD1-CG1 4.15Å; F181-V207 HydrophobicContact CD1-CG2 4.02Å; F181-V207 HydrophobicContact CE1-CG1 4.22Å; F181-V207 HydrophobicContact CE1-CG2 3.96Å; F181-L251 HydrophobicContact CE1-CD2 4.2Å; F181-L251 HydrophobicContact CZ-CD2 4.3Å; F181-L264 HydrophobicContact CE1-CD1 4.31Å; F181-L264 HydrophobicContact CE1-CD2 4.24Å; F181-L264 HydrophobicContact CZ-CD1 4.45Å; F181-L264 HydrophobicContact CZ-CD2 4.41Å
182T95Very high93.6Very high21 Ų2146.9 Ų46.913%0.12925%0.247CC..Hα-helixtrans-56-45.1176.4-55.50000111.2R178 V179 E184 R186 V207R178-T182 WeakPolarHBondContact O-CB 3.41Å; R178-T182 PolarHBondContact O-N 2.94Å; R178-T182 PolarHBondContact O-OG1 3.04Å; V179-T182 PolarHBondContact O-N 3.41Å; T182-E184 PolarHBondContact O-N 3.06Å; T182-R186 WeakPolarHBondContact O-CB 3.44Å; T182-R186 PolarHBondContact O-N 2.77Å; T182-V207 HydrophobicContact CG2-CB 4.32Å; T182-V207 HydrophobicContact CG2-CG2 4.18Å; T182-V207 WeakPolarHBondContact OG1-CB 3.05Å
183K89.1Confident93.6Very high61 Ų6146.5 Ų46.527%0.26524%0.244SC..Hα-helixtrans-58.3-33.8177.4-79.5-178-176.4177.50111.7V179 K180 F181 K277 G762 S763 H764V179-K183 HydrophobicContact CG1-CD 4.47Å; V179-K183 HydrophobicContact CG1-CG 4.49Å; V179-K183 WeakPolarHBondContact O-CB 3.48Å; V179-K183 WeakPolarHBondContact O-CG 3.48Å; V179-K183 PolarHBondContact O-N 2.77Å; K180-K183 PolarHBondContact O-N 3.49Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.47Å; K183-K277 PolarHBondContact O-NZ 2.82Å; K183-G762 PolarHBondContact NZ-O 3.02Å; K183-S763 WeakPolarHBondContact CE-O 3.5Å; K183-H764 PolarHBondContact NZ-CD2 2.99Å; K183-H764 PolarHBondContact NZ-CE1 2.77Å; K183-H764 PolarHBondContact NZ-ND1 3.37Å; K183-H764 PolarHBondContact NZ-NE2 3.46Å
184E93.3Very high93.4Very high43 Ų4347.4 Ų47.420%0.20125%0.248CC..Hα-helixtrans-83.5-43.7-179-73.4-58.8152.300113.8R119 F156 V160 K180 F181 T182 K277R119-E184 IonicContact CZ-OE2 2.76Å; R119-E184 IonicContact NH2-OE1 3.94Å; R119-E184 PolarHBondContact NH2-OE1 3.2Å; R119-E184 IonicContact NH2-OE2 3.43Å; R119-E184 PolarHBondContact NH2-OE2 3.21Å; F156-E184 HydrophobicContact CE1-CB 4.37Å; F156-E184 HydrophobicContact CZ-CB 4.21Å; V160-E184 HydrophobicContact CG1-CB 3.99Å; V160-E184 HydrophobicContact CG1-CG 3.72Å; V160-E184 HydrophobicContact CG2-CB 4.02Å; V160-E184 HydrophobicContact CG2-CG 4.12Å; K180-E184 PolarHBondContact O-N 3.12Å; F181-E184 PolarHBondContact O-N 3.43Å; T182-E184 PolarHBondContact O-N 3.06Å; E184-K277 VanDerWaalsContact C-NZ 3.35Å; E184-K277 PolarHBondContact O-NZ 2.82Å
185I95.6Very high92.9Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-82.6-26.9-175.6-163.673.4000113.9I153 F156 F181 G187 L188 V204 V207 L251 I269I153-I185 HydrophobicContact CD1-CD1 3.53Å; F156-I185 HydrophobicContact CD1-CD1 3.72Å; F156-I185 HydrophobicContact CE1-CB 4.15Å; F156-I185 HydrophobicContact CE1-CD1 3.6Å; F156-I185 HydrophobicContact CE1-CG1 4.48Å; F156-I185 HydrophobicContact CZ-CD1 4.48Å; F181-I185 HydrophobicContact CD1-CG2 4.4Å; F181-I185 HydrophobicContact CE1-CG2 4.1Å; F181-I185 HydrophobicContact CE2-CB 4.17Å; F181-I185 HydrophobicContact CE2-CG2 4.42Å; F181-I185 HydrophobicContact CZ-CB 4.17Å; F181-I185 HydrophobicContact CZ-CG1 4.33Å; F181-I185 HydrophobicContact CZ-CG2 4.11Å; F181-I185 WeakPolarHBondContact O-CG2 3.42Å; F181-I185 PolarHBondContact O-N 2.93Å; I185-G187 PolarHBondContact O-N 3.16Å; I185-L188 HydrophobicContact CD1-CD1 4.21Å; I185-L188 WeakPolarHBondContact O-CB 3.42Å; I185-L188 WeakPolarHBondContact O-CG 3.03Å; I185-L188 PolarHBondContact O-N 2.68Å; I185-V204 HydrophobicContact CG1-CG1 4.32Å; I185-V204 HydrophobicContact CG1-CG2 4.21Å; I185-V204 HydrophobicContact CG2-CG1 4.22Å; I185-V207 HydrophobicContact CG2-CG2 3.51Å; I185-L251 HydrophobicContact CG1-CD2 4.13Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; I185-I269 HydrophobicContact CD1-CD1 3.51Å
186R93.3Very high92.2Very high128 Ų12845.3 Ų45.348%0.48325%0.252SS..THydrogen-bonded Turntrans-58.5130.5-177.7-174.2174.3-169.4-162.81.6111T182 L188 C205 E256T182-R186 WeakPolarHBondContact O-CB 3.44Å; T182-R186 PolarHBondContact O-N 2.77Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-C205 WeakPolarHBondContact CD-O 3.22Å; R186-C205 WeakPolarHBondContact CG-O 3.32Å; R186-C205 PolarHBondContact NE-O 3.41Å; R186-E256 IonicContact CZ-OE1 3.5Å; R186-E256 IonicContact NE-OE1 3.58Å; R186-E256 IonicContact NH2-OE1 2.74Å; R186-E256 PolarHBondContact NH2-OE1 3.26Å; R186-E256 IonicContact NH2-OE2 3.72Å
187G92.1Very high91.2Very high31 Ų3150.2 Ų50.232%0.3226%0.264SS..THydrogen-bonded Turntrans89.2-13-178.200000114.5I185 R203 V204I185-G187 PolarHBondContact O-N 3.16Å; G187-R203 PolarHBondContact O-NH1 3.08Å; G187-V204 WeakPolarHBondContact CA-O 3.46Å; G187-V204 PolarHBondContact N-O 2.8Å
188L95.7Very high90.1Very high13 Ų1353 Ų537%0.06828%0.279CS..  trans-76151.6177.3-56.3-171.7000111.4Y148 F156 I185 R186 V204 I269Y148-L188 HydrophobicContact CD1-CD1 3.84Å; Y148-L188 HydrophobicContact CD2-CD1 4.13Å; Y148-L188 HydrophobicContact CD2-CD2 3.69Å; Y148-L188 HydrophobicContact CE1-CD1 3.76Å; Y148-L188 HydrophobicContact CE1-CD2 4.47Å; Y148-L188 HydrophobicContact CE2-CD1 4.07Å; Y148-L188 HydrophobicContact CE2-CD2 3.32Å; Y148-L188 HydrophobicContact CE2-CG 4.35Å; Y148-L188 HydrophobicContact CG-CD1 4.02Å; Y148-L188 HydrophobicContact CG-CD2 4.4Å; F156-L188 HydrophobicContact CZ-CD1 4.16Å; I185-L188 HydrophobicContact CD1-CD1 4.21Å; I185-L188 WeakPolarHBondContact O-CB 3.42Å; I185-L188 WeakPolarHBondContact O-CG 3.03Å; I185-L188 PolarHBondContact O-N 2.68Å; R186-L188 VanDerWaalsContact C-N 3.34Å; L188-V204 PolarHBondContact O-N 3.16Å; L188-I269 HydrophobicContact CD1-CD1 4.11Å
189K96.5Very high89.1Confident87 Ų8757.2 Ų57.238%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-88.4137.3171.4-58.3-177.9-176.1178.80110.1Y202 R203 V270 Q273K189-Y202 CarbonylContact C-O 3.55Å; K189-Y202 WeakPolarHBondContact CA-O 3.47Å; K189-R203 VanDerWaalsContact CE-NH2 3.3Å; K189-V270 HydrophobicContact CB-CB 4.17Å; K189-V270 HydrophobicContact CB-CG2 4.02Å; K189-V270 PolarHBondContact O-N 2.9Å; K189-V270 VanDerWaalsContact O-N 3.17Å; K189-Q273 VanDerWaalsContact CB-OE1 3.28Å; K189-Q273 PolarHBondContact O-NE2 3.14Å
190V96.6Very high88.8Confident0 Ų061.9 Ų61.90%031%0.31CS..EExtended strand (participates in β ladder)trans-125.8149.7175.9-60.20000109.8I153 K201 Y202 V204 L251 V253 C267 N268 I269I153-V190 HydrophobicContact CD1-CG1 3.59Å; I153-V190 HydrophobicContact CG1-CG1 4.23Å; V190-K201 CarbonylContact O-C 3.5Å; V190-K201 WeakPolarHBondContact O-CA 3.47Å; V190-Y202 PolarHBondContact N-O 2.87Å; V190-Y202 PolarHBondContact O-N 3.36Å; V190-V204 HydrophobicContact CB-CG2 4.49Å; V190-V204 HydrophobicContact CG1-CG2 3.72Å; V190-V204 HydrophobicContact CG2-CG2 3.93Å; V190-L251 HydrophobicContact CG1-CD1 4.09Å; V190-L251 HydrophobicContact CG2-CD1 4.22Å; V190-V253 HydrophobicContact CG2-CG1 4.32Å; V190-C267 HydrophobicContact CB-CB 4.4Å; V190-N268 CarbonylContact C-O 3.59Å; V190-N268 WeakPolarHBondContact CA-O 3.33Å; V190-N268 WeakPolarHBondContact CB-O 3.44Å; V190-I269 HydrophobicContact CG1-CD1 4.44Å
191E94.8Very high88.8Confident35 Ų3562 Ų6216%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-114.8144.6172.560.8-179.1-147.100110.4R200 K201 C267 N268 V270E191-R200 WeakPolarHBondContact CA-O 3.28Å; E191-K201 HydrophobicContact CB-CG 4.11Å; E191-C267 CarbonylContact O-C 3.6Å; E191-C267 WeakPolarHBondContact O-CA 3.26Å; E191-N268 HydrophobicContact CG-CB 3.95Å; E191-N268 PolarHBondContact N-O 3.03Å; E191-N268 PolarHBondContact O-N 3.06Å; E191-V270 HydrophobicContact CB-CG2 3.97Å; E191-V270 HydrophobicContact CG-CG2 4.2Å
192V93.9Very high88.7Confident4 Ų464.1 Ų64.12%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-86.6146.2-179.6-64.20000111.9R200 Y202 L262 V266V192-R200 HydrophobicContact CG2-CB 4.05Å; V192-R200 PolarHBondContact N-O 3.33Å; V192-Y202 HydrophobicContact CG1-CD2 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 3.83Å; V192-L262 HydrophobicContact CG1-CD1 3.78Å; V192-L262 HydrophobicContact CG1-CD2 4.12Å; V192-V266 VanDerWaalsContact CA-O 3.31Å; V192-V266 WeakPolarHBondContact CA-O 3.45Å
193T92.2Very high88.7Confident69 Ų6969.3 Ų69.342%0.42334%0.336SS..SBendtrans-109.3-9.9-179.356.60000114V266 N268T193-V266 PolarHBondContact N-O 3.29Å; T193-V266 WeakPolarHBondContact OG1-CA 3.35Å; T193-V266 PolarHBondContact OG1-O 2.77Å; T193-N268 WeakPolarHBondContact CG2-ND2 3.36Å
194H88.5Confident89Confident32 Ų3266.5 Ų66.515%0.14832%0.324CS..THydrogen-bonded Turntrans-87-4.6-173.463.9-83.1000114.8F235 Y239 L241 V266H194-F235 AromaticContact CD2-CE1 3.71Å; H194-F235 AromaticContact CE1-CE1 3.77Å; H194-F235 AromaticContact CE1-CZ 3.96Å; H194-F235 AromaticContact CG-CE1 3.82Å; H194-F235 AromaticContact ND1-CE1 3.85Å; H194-F235 AromaticContact NE2-CE1 3.68Å; H194-F235 AromaticContact NE2-CZ 3.93Å; H194-Y239 AromaticContact CD2-CD1 3.97Å; H194-Y239 AromaticContact CD2-CD2 3.91Å; H194-Y239 AromaticContact CD2-CE1 3.88Å; H194-Y239 AromaticContact CD2-CE2 3.81Å; H194-Y239 AromaticContact CD2-CZ 3.81Å; H194-Y239 AromaticContact NE2-CE2 3.9Å; H194-Y239 AromaticContact NE2-CZ 3.86Å; H194-L241 HydrophobicContact CB-CD1 3.97Å; H194-V266 HydrophobicContact CB-CB 4.29Å; H194-V266 HydrophobicContact CB-CG1 4.23Å
195C84Confident89.1Confident48 Ų4865 Ų6532%0.32432%0.318SS..THydrogen-bonded Turntrans-104.527.8-176.1-61.50000113.7Q197 M198C195-Q197 PolarHBondContact O-N 2.85Å; C195-M198 HydrophobicContact CB-CB 4.13Å; C195-M198 WeakPolarHBondContact CB-O 3.31Å; C195-M198 PolarHBondContact O-N 3.26Å; C195-M198 VanDerWaalsContact O-N 3.12Å
196G76.5Confident89.1Confident64 Ų6468 Ų6866%0.6633%0.334SS*.THydrogen-bonded Turntrans60.7-122.7178.800000113M198G196-M198 VanDerWaalsContact C-N 3.27Å; G196-M198 PolarHBondContact O-N 3.5Å
197Q69.4Low89.3Confident199 Ų19962.2 Ų62.293%0.9331%0.313SS*.THydrogen-bonded Turntrans-72.5-16.3179.4-67.8-174-11.100113.6C195 K199C195-Q197 PolarHBondContact O-N 2.85Å; Q197-K199 PolarHBondContact O-N 3.3Å
198M70.6Confident89.5Confident109 Ų10961.2 Ų61.254%0.53730%0.301SS..  trans-8298.5177.7-71.9-153.717900111.6C195 G196 R200C195-M198 HydrophobicContact CB-CB 4.13Å; C195-M198 WeakPolarHBondContact CB-O 3.31Å; C195-M198 PolarHBondContact O-N 3.26Å; C195-M198 VanDerWaalsContact O-N 3.12Å; G196-M198 VanDerWaalsContact C-N 3.27Å; G196-M198 PolarHBondContact O-N 3.5Å; M198-R200 VanDerWaalsContact C-N 3.35Å; M198-R200 PolarHBondContact O-N 3.04Å
199K73.9Confident89.5Confident118 Ų11869 Ų6951%0.51333%0.329SS..  trans-89.561.2177.7-65.8-172.1177.4-173.30112.9Q197 K201Q197-K199 PolarHBondContact O-N 3.3Å; K199-K201 PolarHBondContact O-N 3.38Å
200R85.7Confident89.5Confident144 Ų14471.9 Ų71.954%0.54334%0.338SS..  trans-62129.3-176.8-172.9168.1173.9-169.42.6111.6E191 V192 M198 Y202E191-R200 WeakPolarHBondContact CA-O 3.28Å; V192-R200 HydrophobicContact CG2-CB 4.05Å; V192-R200 PolarHBondContact N-O 3.33Å; M198-R200 VanDerWaalsContact C-N 3.35Å; M198-R200 PolarHBondContact O-N 3.04Å; R200-Y202 HydrophobicContact CB-CE2 4.08Å; R200-Y202 WeakPolarHBondContact CD-OH 3.43Å; R200-Y202 HydrophobicContact CG-CD2 4.36Å; R200-Y202 HydrophobicContact CG-CE1 4.49Å; R200-Y202 HydrophobicContact CG-CE2 3.68Å; R200-Y202 PolarHBondContact NE-OH 2.62Å; R200-Y202 VanDerWaalsContact NE-OH 3.12Å; R200-Y202 PolarHBondContact NH1-OH 2.66Å; R200-Y202 VanDerWaalsContact NH1-OH 3.11Å
201K91.4Very high89.5Confident96 Ų9673 Ų7342%0.41735%0.345SS..EExtended strand (participates in β ladder)trans-95141.4178-67.4165.6-176.81420112.6E45 V190 E191 K199 V270E45-K201 WeakPolarHBondContact OE1-CE 3.35Å; E45-K201 IonicContact OE1-NZ 2.81Å; E45-K201 PolarHBondContact OE1-NZ 3.19Å; V190-K201 CarbonylContact O-C 3.5Å; V190-K201 WeakPolarHBondContact O-CA 3.47Å; E191-K201 HydrophobicContact CB-CG 4.11Å; K199-K201 PolarHBondContact O-N 3.38Å; K201-V270 HydrophobicContact CD-CG1 4.39Å; K201-V270 HydrophobicContact CD-CG2 4.37Å; K201-V270 HydrophobicContact CG-CG2 3.99Å
202Y93.8Very high89.6Confident44 Ų4471.4 Ų71.417%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-135.1154.6178.4-66.3-84.7000111.3K189 V190 V192 R200 V253 L262K189-Y202 CarbonylContact C-O 3.55Å; K189-Y202 WeakPolarHBondContact CA-O 3.47Å; V190-Y202 PolarHBondContact N-O 2.87Å; V190-Y202 PolarHBondContact O-N 3.36Å; V192-Y202 HydrophobicContact CG1-CD2 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 3.83Å; R200-Y202 HydrophobicContact CB-CE2 4.08Å; R200-Y202 WeakPolarHBondContact CD-OH 3.43Å; R200-Y202 HydrophobicContact CG-CD2 4.36Å; R200-Y202 HydrophobicContact CG-CE1 4.49Å; R200-Y202 HydrophobicContact CG-CE2 3.68Å; R200-Y202 PolarHBondContact NE-OH 2.62Å; R200-Y202 VanDerWaalsContact NE-OH 3.12Å; R200-Y202 PolarHBondContact NH1-OH 2.66Å; R200-Y202 VanDerWaalsContact NH1-OH 3.11Å; Y202-V253 HydrophobicContact CD1-CB 4.29Å; Y202-V253 HydrophobicContact CD1-CG2 3.73Å; Y202-V253 HydrophobicContact CE1-CG2 4.34Å; Y202-V253 HydrophobicContact CG-CB 4.26Å; Y202-V253 HydrophobicContact CG-CG2 3.9Å; Y202-L262 HydrophobicContact CD2-CD1 3.93Å; Y202-L262 HydrophobicContact CE2-CD1 4.31Å; Y202-L262 HydrophobicContact CG-CD1 4.37Å
203R95.4Very high89.8Confident131 Ų13173.1 Ų73.149%0.49435%0.35SS..EExtended strand (participates in β ladder)trans-101.3130168.6-171.2179.2-62.1-85.38.2109.8G187 K189 C205 V253 G254G187-R203 PolarHBondContact O-NH1 3.08Å; K189-R203 VanDerWaalsContact CE-NH2 3.3Å; R203-C205 PolarHBondContact O-N 2.9Å; R203-V253 WeakPolarHBondContact O-CA 3.48Å; R203-G254 PolarHBondContact O-N 2.92Å; R203-G254 VanDerWaalsContact O-N 3.08Å
204V96.4Very high90Very high1 Ų175.8 Ų75.81%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-74.4122.3176.6-176.50000109.7I185 G187 L188 V190 N206 L251 V253I185-V204 HydrophobicContact CG1-CG1 4.32Å; I185-V204 HydrophobicContact CG1-CG2 4.21Å; I185-V204 HydrophobicContact CG2-CG1 4.22Å; G187-V204 WeakPolarHBondContact CA-O 3.46Å; G187-V204 PolarHBondContact N-O 2.8Å; L188-V204 PolarHBondContact O-N 3.16Å; V190-V204 HydrophobicContact CB-CG2 4.49Å; V190-V204 HydrophobicContact CG1-CG2 3.72Å; V190-V204 HydrophobicContact CG2-CG2 3.93Å; V204-N206 WeakPolarHBondContact CG1-O 2.9Å; V204-L251 HydrophobicContact CG1-CB 4.42Å; V204-L251 HydrophobicContact CG1-CD2 4.2Å; V204-L251 HydrophobicContact CG2-CB 4.42Å; V204-L251 HydrophobicContact CG2-CD1 3.92Å; V204-V253 HydrophobicContact CG2-CG1 4.18Å
205C94.3Very high90.5Very high12 Ų1275.4 Ų75.48%0.08136%0.356CS..EExtended strand (participates in β ladder)trans-102.8-28.7175.864.10000112R186 R203 Q252 E256R186-C205 WeakPolarHBondContact CD-O 3.22Å; R186-C205 WeakPolarHBondContact CG-O 3.32Å; R186-C205 PolarHBondContact NE-O 3.41Å; R203-C205 PolarHBondContact O-N 2.9Å; C205-Q252 PolarHBondContact N-O 2.84Å; C205-Q252 VanDerWaalsContact SG-C 3.56Å; C205-Q252 PolarHBondContact SG-O 3.39Å; C205-E256 HydrophobicContact CB-CG 3.46Å; C205-E256 VanDerWaalsContact CB-CG 3.46Å
206N96.1Very high91.1Very high62 Ų6274.9 Ų74.933%0.33235%0.351SS..EExtended strand (participates in β ladder)trans-157175.8177.4-147.4-13.2000113V204 Q252V204-N206 WeakPolarHBondContact CG1-O 2.9Å; N206-Q252 HydrophobicContact CB-CB 3.98Å; N206-Q252 PolarHBondContact N-O 2.77Å; N206-Q252 PolarHBondContact O-N 3.45Å
207V97.3Very high92Very high7 Ų773.2 Ų73.24%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-124.2132.5168.9179.70000108.1R178 F181 T182 I185 P249 C250 L251R178-V207 HydrophobicContact CG-CG1 4.34Å; F181-V207 HydrophobicContact CD1-CG1 4.15Å; F181-V207 HydrophobicContact CD1-CG2 4.02Å; F181-V207 HydrophobicContact CE1-CG1 4.22Å; F181-V207 HydrophobicContact CE1-CG2 3.96Å; T182-V207 HydrophobicContact CG2-CB 4.32Å; T182-V207 HydrophobicContact CG2-CG2 4.18Å; T182-V207 WeakPolarHBondContact OG1-CB 3.05Å; I185-V207 HydrophobicContact CG2-CG2 3.51Å; V207-P249 HydrophobicContact CG1-CB 3.71Å; V207-P249 HydrophobicContact CG1-CG 3.72Å; V207-C250 WeakPolarHBondContact CA-O 3.31Å; V207-L251 HydrophobicContact CG2-CD2 4.13Å
208T97Very high93.1Very high10 Ų1066.8 Ų66.86%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-68.4147.8-174.862.60000112R178 R210 Q215 P249 C250 Y261R178-T208 WeakPolarHBondContact CD-O 3.33Å; T208-R210 PolarHBondContact OG1-O 2.75Å; T208-Q215 HydrophobicContact CG2-CG 4.02Å; T208-P249 VanDerWaalsContact O-CB 3.25Å; T208-P249 WeakPolarHBondContact O-CB 3.48Å; T208-C250 HydrophobicContact CG2-CB 4Å; T208-C250 PolarHBondContact N-O 3.44Å; T208-C250 PolarHBondContact OG1-N 3.48Å; T208-C250 PolarHBondContact OG1-O 3.02Å; T208-Y261 HydrophobicContact CG2-CD1 3.57Å; T208-Y261 HydrophobicContact CG2-CE1 3.72Å; T208-Y261 HydrophobicContact CG2-CG 4.39Å
209R95.3Very high93.9Very high176 Ų17663.3 Ų63.366%0.66429%0.285SS*.EExtended strand (participates in β ladder)trans-72.9-40171.7-178.9173.1-176.5140.210.7111.4D175D175-R209 IonicContact OD1-NH2 3.94Å; D175-R209 IonicContact OD2-CZ 3.95Å; D175-R209 IonicContact OD2-NH2 3.24Å; D175-R209 PolarHBondContact OD2-NH2 2.93Å
210R96.3Very high94.4Very high148 Ų14865.4 Ų65.456%0.55830%0.297SS*.EExtended strand (participates in β ladder)trans-81.6145.6178.5-65.5-177.5-178.4174.61.6110.5T208 Q215T208-R210 PolarHBondContact OG1-O 2.75Å; R210-Q215 HydrophobicContact CB-CB 4.24Å
211P97.4Very high94.2Very high24 Ų2461.7 Ų61.716%0.15629%0.287CS..EExtended strand (participates in β ladder)trans-70162.6174.632.4-37.9000111.7S213 H214 Q215 H247 L248P211-S213 PolarHBondContact O-N 3.26Å; P211-S213 VanDerWaalsContact O-N 3.12Å; P211-H214 HydrophobicContact CG-CB 4.09Å; P211-H214 CarbonylContact O-C 3.6Å; P211-H214 PolarHBondContact O-N 2.91Å; P211-Q215 WeakPolarHBondContact O-CB 3.27Å; P211-Q215 PolarHBondContact O-N 3.43Å; P211-H247 VanDerWaalsContact CB-O 3.27Å; P211-H247 WeakPolarHBondContact CB-O 3.28Å; P211-L248 CarbonylContact C-O 3.57Å; P211-L248 VanDerWaalsContact CA-O 3.3Å; P211-L248 WeakPolarHBondContact CA-O 3.3Å
212A97.3Very high93.5Very high2 Ų267.2 Ų67.22%0.01731%0.314CS..THydrogen-bonded Turntrans-57.1-29.7-178.600000113.8H214 A232 L243 P246 L248 C250A212-H214 VanDerWaalsContact C-N 3.29Å; A212-H214 PolarHBondContact O-N 2.96Å; A212-A232 PolarHBondContact O-N 3.09Å; A212-L243 HydrophobicContact CB-CD1 3.95Å; A212-P246 PolarHBondContact N-O 3.33Å; A212-L248 PolarHBondContact N-O 3.4Å; A212-C250 VanDerWaalsContact CA-SG 3.59Å; A212-C250 VanDerWaalsContact CB-SG 3.56Å
213S96.9Very high92.8Very high40 Ų4070 Ų7028%0.2833%0.333SS..THydrogen-bonded Turntrans-65-26.6173.648.10000114.4P211 T230 P246P211-S213 PolarHBondContact O-N 3.26Å; P211-S213 VanDerWaalsContact O-N 3.12Å; S213-T230 WeakPolarHBondContact O-CG2 3.11Å; S213-P246 WeakPolarHBondContact CB-O 3.46Å; S213-P246 PolarHBondContact N-O 2.97Å; S213-P246 PolarHBondContact OG-O 3.44Å
214H97.1Very high91.8Very high125 Ų12566.6 Ų66.658%0.57934%0.338SS*.THydrogen-bonded Turntrans-123.1-10.6-173.9-6477.1000113.7P211 A212 T216P211-H214 HydrophobicContact CG-CB 4.09Å; P211-H214 CarbonylContact O-C 3.6Å; P211-H214 PolarHBondContact O-N 2.91Å; A212-H214 VanDerWaalsContact C-N 3.29Å; A212-H214 PolarHBondContact O-N 2.96Å; H214-T216 PolarHBondContact O-N 3.48Å
215Q97.7Very high91Very high23 Ų2372.6 Ų72.611%0.10737%0.366CS..  trans-73121.1174.2178.660.555.600108.3T208 R210 P211 T230 V231 Y261T208-Q215 HydrophobicContact CG2-CG 4.02Å; R210-Q215 HydrophobicContact CB-CB 4.24Å; P211-Q215 WeakPolarHBondContact O-CB 3.27Å; P211-Q215 PolarHBondContact O-N 3.43Å; Q215-T230 CarbonylContact O-C 3.53Å; Q215-T230 VanDerWaalsContact O-CA 3.27Å; Q215-T230 WeakPolarHBondContact O-CA 3.47Å; Q215-V231 HydrophobicContact CB-CG2 4.16Å; Q215-V231 HydrophobicContact CG-CG2 3.96Å; Q215-V231 PolarHBondContact O-N 3.42Å; Q215-Y261 HydrophobicContact CG-CD2 4.01Å; Q215-Y261 HydrophobicContact CG-CE2 4.23Å; Q215-Y261 HydrophobicContact CG-CG 4.2Å
216T96.5Very high90.5Very high37 Ų3775.6 Ų75.623%0.22739%0.391CS..EExtended strand (participates in β ladder)trans-111.2163.2-179.660.80000111.9H214 E228 C229 T230 Y261H214-T216 PolarHBondContact O-N 3.48Å; T216-E228 WeakPolarHBondContact CB-OE2 3.28Å; T216-E228 PolarHBondContact OG1-OE2 3.41Å; T216-C229 VanDerWaalsContact CA-O 3.26Å; T216-C229 WeakPolarHBondContact CA-O 3.26Å; T216-T230 HydrophobicContact CG2-CG2 3.81Å; T216-Y261 WeakPolarHBondContact O-CE2 3.23Å
217F95.6Very high90Very high29 Ų2976.6 Ų76.613%0.12740%0.395CS..EExtended strand (participates in β ladder)trans-151.2155.3169.664.9-82.3000109.7L219 C229 V231 Y234 H259 Y261F217-L219 HydrophobicContact CE2-CB 4.05Å; F217-L219 HydrophobicContact CE2-CD1 4Å; F217-L219 PolarHBondContact O-N 2.93Å; F217-C229 PolarHBondContact N-O 3.22Å; F217-C229 VanDerWaalsContact N-O 3.08Å; F217-C229 PolarHBondContact O-N 3.37Å; F217-C229 VanDerWaalsContact O-N 3.1Å; F217-V231 HydrophobicContact CD1-CG2 4.17Å; F217-V231 HydrophobicContact CE1-CG2 4.32Å; F217-Y234 HydrophobicContact CE1-CG 4.21Å; F217-Y234 HydrophobicContact CZ-CD1 4.03Å; F217-Y234 AromaticContact CZ-CD2 3.85Å; F217-Y234 HydrophobicContact CZ-CD2 3.85Å; F217-Y234 HydrophobicContact CZ-CE2 4.4Å; F217-Y234 AromaticContact CZ-CG 3.63Å; F217-Y234 HydrophobicContact CZ-CG 3.63Å; F217-H259 HydrophobicContact CB-CB 3.99Å; F217-Y261 HydrophobicContact CB-CD2 4.09Å; F217-Y261 HydrophobicContact CB-CE2 3.94Å; F217-Y261 HydrophobicContact CD1-CD2 4.41Å
218P92.5Very high89.7Confident64 Ų6481.6 Ų81.642%0.41642%0.418SS..EExtended strand (participates in β ladder)trans-72.5114.5175.527.9-33.6000110
219L89Confident89.5Confident37 Ų3781.2 Ų81.219%0.19442%0.416CS..EExtended strand (participates in β ladder)trans-100.4120.2174.3-178.868000109F217 L221 A226 M227 C229 Y234F217-L219 HydrophobicContact CE2-CB 4.05Å; F217-L219 HydrophobicContact CE2-CD1 4Å; F217-L219 PolarHBondContact O-N 2.93Å; L219-L221 PolarHBondContact O-N 2.76Å; L219-A226 WeakPolarHBondContact O-CA 3.43Å; L219-M227 PolarHBondContact N-O 3.35Å; L219-M227 PolarHBondContact O-N 3.21Å; L219-C229 HydrophobicContact CB-CB 4.07Å; L219-C229 HydrophobicContact CD2-CB 4.14Å; L219-Y234 HydrophobicContact CD1-CD2 4.14Å; L219-Y234 HydrophobicContact CD1-CE2 3.92Å; L219-Y234 HydrophobicContact CD2-CD2 4.12Å
220Q84.4Confident89.6Confident161 Ų16173.8 Ų73.875%0.75239%0.39SS*.EExtended strand (participates in β ladder)trans-74.5124.2170.9-79.9-178.8-2400110.1
221L80.2Confident89.7Confident66 Ų6666.8 Ų66.835%0.34636%0.363SS..PPolyproline II helixtrans-82.6162.2171.9-63.9174.9000110.2L219 N223 G224 Q225 M227L219-L221 PolarHBondContact O-N 2.76Å; L221-N223 VanDerWaalsContact CB-OD1 3.24Å; L221-N223 WeakPolarHBondContact CB-OD1 3.49Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-N223 VanDerWaalsContact O-N 3.13Å; L221-G224 PolarHBondContact O-N 2.85Å; L221-Q225 PolarHBondContact N-O 3.45Å; L221-M227 HydrophobicContact CD1-CB 4.01Å; L221-M227 HydrophobicContact CD1-SD 4.43Å; L221-M227 HydrophobicContact CD2-CE 4.11Å; L221-M227 HydrophobicContact CG-CB 4.25Å
222E77.7Confident89.6Confident212 Ų21266.7 Ų66.799%0.99137%0.365SS*.THydrogen-bonded Turntrans-61-22.8-179.1-65.6-177.7171.100113.2G224E222-G224 PolarHBondContact O-N 2.98Å
223N78.6Confident89.6Confident104 Ų10471.3 Ų71.356%0.55639%0.386SS*.THydrogen-bonded Turntrans-81.55.3174.769.7-2.6000114L221 Q225L221-N223 VanDerWaalsContact CB-OD1 3.24Å; L221-N223 WeakPolarHBondContact CB-OD1 3.49Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-N223 VanDerWaalsContact O-N 3.13Å; N223-Q225 VanDerWaalsContact C-N 3.3Å; N223-Q225 PolarHBondContact ND2-OE1 3.1Å; N223-Q225 PolarHBondContact O-N 3.48Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.47Å; N223-Q225 PolarHBondContact OD1-N 3.32Å
224G75.3Confident89.5Confident58 Ų5872 Ų7260%0.59838%0.383SS*.SBendtrans81.2-4.8-179.900000115.5L221 E222L221-G224 PolarHBondContact O-N 2.85Å; E222-G224 PolarHBondContact O-N 2.98Å
225Q79.4Confident89.5Confident128 Ų12866.2 Ų66.260%0.59836%0.356SS*.  trans-80.1143.4176.4-64.8-178.4-15.900111.4L221 N223L221-Q225 PolarHBondContact N-O 3.45Å; N223-Q225 VanDerWaalsContact C-N 3.3Å; N223-Q225 PolarHBondContact ND2-OE1 3.1Å; N223-Q225 PolarHBondContact O-N 3.48Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.47Å; N223-Q225 PolarHBondContact OD1-N 3.32Å
226A82.2Confident89.4Confident75 Ų7571.5 Ų71.562%0.6238%0.379SS*.EExtended strand (participates in β ladder)trans-92.4123.7173.900000110.1L219L219-A226 WeakPolarHBondContact O-CA 3.43Å
227M87.1Confident89.2Confident82 Ų8276.3 Ų76.340%0.40440%0.398SS..EExtended strand (participates in β ladder)trans-112.9132.9174.4-178.8177.971.200109.7L219 L221 C229L219-M227 PolarHBondContact N-O 3.35Å; L219-M227 PolarHBondContact O-N 3.21Å; L221-M227 HydrophobicContact CD1-CB 4.01Å; L221-M227 HydrophobicContact CD1-SD 4.43Å; L221-M227 HydrophobicContact CD2-CE 4.11Å; L221-M227 HydrophobicContact CG-CB 4.25Å; M227-C229 PolarHBondContact O-N 2.87Å
228E90.2Very high89Confident112 Ų11281.5 Ų81.552%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-69.9117.1169.4-81.8-74.8132.900109.3T216T216-E228 WeakPolarHBondContact CB-OE2 3.28Å; T216-E228 PolarHBondContact OG1-OE2 3.41Å
229C93.6Very high88.9Confident2 Ų282.3 Ų82.31%0.01442%0.417CS..EExtended strand (participates in β ladder)trans-120.5138.8179.3-173.40000109.6T216 F217 L219 M227T216-C229 VanDerWaalsContact CA-O 3.26Å; T216-C229 WeakPolarHBondContact CA-O 3.26Å; F217-C229 PolarHBondContact N-O 3.22Å; F217-C229 VanDerWaalsContact N-O 3.08Å; F217-C229 PolarHBondContact O-N 3.37Å; F217-C229 VanDerWaalsContact O-N 3.1Å; L219-C229 HydrophobicContact CB-CB 4.07Å; L219-C229 HydrophobicContact CD2-CB 4.14Å; M227-C229 PolarHBondContact O-N 2.87Å
230T96.9Very high89.1Confident20 Ų2086 Ų8612%0.12345%0.445CS..EExtended strand (participates in β ladder)trans-74.7151.617373.40000110.6S213 Q215 T216 A232 Q233 Y234S213-T230 WeakPolarHBondContact O-CG2 3.11Å; Q215-T230 CarbonylContact O-C 3.53Å; Q215-T230 VanDerWaalsContact O-CA 3.27Å; Q215-T230 WeakPolarHBondContact O-CA 3.47Å; T216-T230 HydrophobicContact CG2-CG2 3.81Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.41Å; T230-Q233 PolarHBondContact O-N 3.24Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.39Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.29Å; T230-Q233 PolarHBondContact OG1-N 3.16Å; T230-Q233 VanDerWaalsContact OG1-N 3.13Å; T230-Q233 PolarHBondContact OG1-OE1 3.31Å; T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.08Å
231V97.5Very high89.6Confident1 Ų180.4 Ų80.41%0.00642%0.42CS..Hα-helixtrans-56.9-43.6175.8178.20000110.6Q215 F217 Q233 Y234 F235 Y261 P263Q215-V231 HydrophobicContact CB-CG2 4.16Å; Q215-V231 HydrophobicContact CG-CG2 3.96Å; Q215-V231 PolarHBondContact O-N 3.42Å; F217-V231 HydrophobicContact CD1-CG2 4.17Å; F217-V231 HydrophobicContact CE1-CG2 4.32Å; V231-Q233 PolarHBondContact O-N 3.22Å; V231-Y234 PolarHBondContact O-N 3.38Å; V231-F235 HydrophobicContact CG1-CD2 3.9Å; V231-F235 HydrophobicContact CG1-CE2 3.99Å; V231-F235 WeakPolarHBondContact O-CD2 3.47Å; V231-F235 PolarHBondContact O-N 2.87Å; V231-F235 VanDerWaalsContact O-N 3.08Å; V231-Y261 HydrophobicContact CG2-CD2 4.23Å; V231-Y261 HydrophobicContact CG2-CG 4.38Å; V231-P263 HydrophobicContact CG1-CG 3.65Å
232A96.8Very high90.4Very high22 Ų2284.7 Ų84.718%0.18244%0.439CS..Hα-helixtrans-62.1-42.9177.900000113.3A212 T230 K236 L243A212-A232 PolarHBondContact O-N 3.09Å; T230-A232 VanDerWaalsContact C-N 3.27Å; T230-A232 PolarHBondContact O-N 3.41Å; A232-K236 PolarHBondContact O-N 3.02Å; A232-K236 VanDerWaalsContact O-N 3.14Å; A232-L243 HydrophobicContact CB-CD1 3.89Å
233Q95.8Very high91.3Very high100 Ų10075.5 Ų75.547%0.46740%0.396SS..Hα-helixtrans-65.2-44.7177.5-76168.2-15.300111.5T230 V231 F235 K236 Q237T230-Q233 PolarHBondContact O-N 3.24Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.39Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.29Å; T230-Q233 PolarHBondContact OG1-N 3.16Å; T230-Q233 VanDerWaalsContact OG1-N 3.13Å; T230-Q233 PolarHBondContact OG1-OE1 3.31Å; V231-Q233 PolarHBondContact O-N 3.22Å; Q233-F235 PolarHBondContact O-N 3.18Å; Q233-K236 PolarHBondContact O-N 3.14Å; Q233-Q237 WeakPolarHBondContact O-CG 3.38Å; Q233-Q237 PolarHBondContact O-N 3.47Å
234Y95.8Very high92Very high53 Ų5378.4 Ų78.421%0.20840%0.404CS..Hα-helixtrans-58.1-46.9178.1175-105.3000112F217 L219 T230 V231 K236 Q237 K238 Y239F217-Y234 HydrophobicContact CE1-CG 4.21Å; F217-Y234 HydrophobicContact CZ-CD1 4.03Å; F217-Y234 AromaticContact CZ-CD2 3.85Å; F217-Y234 HydrophobicContact CZ-CD2 3.85Å; F217-Y234 HydrophobicContact CZ-CE2 4.4Å; F217-Y234 AromaticContact CZ-CG 3.63Å; F217-Y234 HydrophobicContact CZ-CG 3.63Å; L219-Y234 HydrophobicContact CD1-CD2 4.14Å; L219-Y234 HydrophobicContact CD1-CE2 3.92Å; L219-Y234 HydrophobicContact CD2-CD2 4.12Å; T230-Y234 WeakPolarHBondContact O-CB 3.29Å; T230-Y234 PolarHBondContact O-N 3.08Å; V231-Y234 PolarHBondContact O-N 3.38Å; Y234-K236 PolarHBondContact O-N 3.18Å; Y234-Q237 PolarHBondContact O-N 2.89Å; Y234-K238 HydrophobicContact CD2-CB 4.26Å; Y234-K238 HydrophobicContact CE2-CB 3.95Å; Y234-K238 HydrophobicContact CE2-CG 4.1Å; Y234-K238 VanDerWaalsContact O-CB 3.26Å; Y234-K238 WeakPolarHBondContact O-CB 3.48Å; Y234-K238 PolarHBondContact O-N 3.12Å; Y234-Y239 HydrophobicContact CD1-CE2 4.39Å; Y234-Y239 HydrophobicContact CE1-CD2 4.48Å; Y234-Y239 AromaticContact CE1-CE2 3.65Å; Y234-Y239 HydrophobicContact CE1-CE2 3.65Å
235F96.4Very high93Very high4 Ų478 Ų782%0.01839%0.385CS..Hα-helixtrans-66.2-36.3179.2-88.4-99.7000112.9H194 V231 Q233 Y239 S240 L241 L243 P263 V266H194-F235 AromaticContact CD2-CE1 3.71Å; H194-F235 AromaticContact CE1-CE1 3.77Å; H194-F235 AromaticContact CE1-CZ 3.96Å; H194-F235 AromaticContact CG-CE1 3.82Å; H194-F235 AromaticContact ND1-CE1 3.85Å; H194-F235 AromaticContact NE2-CE1 3.68Å; H194-F235 AromaticContact NE2-CZ 3.93Å; V231-F235 HydrophobicContact CG1-CD2 3.9Å; V231-F235 HydrophobicContact CG1-CE2 3.99Å; V231-F235 WeakPolarHBondContact O-CD2 3.47Å; V231-F235 PolarHBondContact O-N 2.87Å; V231-F235 VanDerWaalsContact O-N 3.08Å; Q233-F235 PolarHBondContact O-N 3.18Å; F235-Y239 AromaticContact CD1-CD2 3.82Å; F235-Y239 HydrophobicContact CD1-CD2 3.82Å; F235-Y239 HydrophobicContact CD1-CE2 4.4Å; F235-Y239 HydrophobicContact CE1-CD2 4.06Å; F235-Y239 HydrophobicContact CE1-CE2 4.26Å; F235-Y239 HydrophobicContact CG-CD2 4.24Å; F235-Y239 HydrophobicContact CZ-CE2 4.49Å; F235-Y239 PolarHBondContact O-N 2.83Å; F235-S240 PolarHBondContact O-N 3.27Å; F235-L241 CarbonylContact C-O 3.43Å; F235-L241 PolarHBondContact O-N 2.93Å; F235-L241 VanDerWaalsContact O-N 3.13Å; F235-L243 HydrophobicContact CB-CD2 4.48Å; F235-P263 HydrophobicContact CD1-CG 4.44Å; F235-P263 HydrophobicContact CD2-CG 3.91Å; F235-P263 HydrophobicContact CE1-CG 4.35Å; F235-P263 HydrophobicContact CE2-CG 3.81Å; F235-P263 HydrophobicContact CG-CG 4.23Å; F235-P263 VanDerWaalsContact CZ-CD 3.44Å; F235-P263 HydrophobicContact CZ-CG 4.05Å; F235-V266 HydrophobicContact CD1-CG1 4.4Å; F235-V266 HydrophobicContact CE1-CB 4.45Å; F235-V266 HydrophobicContact CE1-CG1 4.15Å; F235-V266 HydrophobicContact CE1-CG2 3.89Å; F235-V266 HydrophobicContact CZ-CG2 4.14Å
236K95.3Very high93.8Very high135 Ų13574 Ų7459%0.58737%0.37SS*.Hα-helixtrans-65.5-41.8174.6-173.3176.9180-179.90112.1A232 Q233 Y234 S240 L241A232-K236 PolarHBondContact O-N 3.02Å; A232-K236 VanDerWaalsContact O-N 3.14Å; Q233-K236 PolarHBondContact O-N 3.14Å; Y234-K236 PolarHBondContact O-N 3.18Å; K236-S240 VanDerWaalsContact O-CA 3.27Å; K236-S240 WeakPolarHBondContact O-CA 3.46Å; K236-S240 PolarHBondContact O-N 2.85Å; K236-L241 WeakPolarHBondContact CA-O 3.27Å; K236-L241 PolarHBondContact N-O 2.84Å
237Q92.3Very high94.5Very high137 Ų13772.2 Ų72.264%0.6435%0.348SS*.Hα-helixtrans-80.4-47.3-176.9-69.9175.6-4.200112.9Q233 Y234Q233-Q237 WeakPolarHBondContact O-CG 3.38Å; Q233-Q237 PolarHBondContact O-N 3.47Å; Y234-Q237 PolarHBondContact O-N 2.89Å
238K91.1Very high95Very high139 Ų13968.4 Ų68.460%0.60433%0.33SS*.Hα-helixtrans-79.9-36-172.8-174.663.2-179.5-179.20113.5Y234Y234-K238 HydrophobicContact CD2-CB 4.26Å; Y234-K238 HydrophobicContact CE2-CB 3.95Å; Y234-K238 HydrophobicContact CE2-CG 4.1Å; Y234-K238 VanDerWaalsContact O-CB 3.26Å; Y234-K238 WeakPolarHBondContact O-CB 3.48Å; Y234-K238 PolarHBondContact O-N 3.12Å
239Y91.9Very high95.3Very high81 Ų8163.4 Ų63.432%0.31831%0.307SS..SBendtrans-118.96-173.2-56.9-70.4000113.3H194 Y234 F235 L241H194-Y239 AromaticContact CD2-CD1 3.97Å; H194-Y239 AromaticContact CD2-CD2 3.91Å; H194-Y239 AromaticContact CD2-CE1 3.88Å; H194-Y239 AromaticContact CD2-CE2 3.81Å; H194-Y239 AromaticContact CD2-CZ 3.81Å; H194-Y239 AromaticContact NE2-CE2 3.9Å; H194-Y239 AromaticContact NE2-CZ 3.86Å; Y234-Y239 HydrophobicContact CD1-CE2 4.39Å; Y234-Y239 HydrophobicContact CE1-CD2 4.48Å; Y234-Y239 AromaticContact CE1-CE2 3.65Å; Y234-Y239 HydrophobicContact CE1-CE2 3.65Å; F235-Y239 AromaticContact CD1-CD2 3.82Å; F235-Y239 HydrophobicContact CD1-CD2 3.82Å; F235-Y239 HydrophobicContact CD1-CE2 4.4Å; F235-Y239 HydrophobicContact CE1-CD2 4.06Å; F235-Y239 HydrophobicContact CE1-CE2 4.26Å; F235-Y239 HydrophobicContact CG-CD2 4.24Å; F235-Y239 HydrophobicContact CZ-CE2 4.49Å; F235-Y239 PolarHBondContact O-N 2.83Å; Y239-L241 PolarHBondContact O-N 3.15Å; Y239-L241 VanDerWaalsContact O-N 3.08Å
240S93.6Very high95.6Very high114 Ų11463.3 Ų63.380%0.79731%0.306SS*.  trans51.931.4-175.2-560000113.1F235 K236F235-S240 PolarHBondContact O-N 3.27Å; K236-S240 VanDerWaalsContact O-CA 3.27Å; K236-S240 WeakPolarHBondContact O-CA 3.46Å; K236-S240 PolarHBondContact O-N 2.85Å
241L94.3Very high95.6Very high44 Ų4462.3 Ų62.323%0.2330%0.3CS..  trans-109.4108.8-172.3-167.5154.2000110H194 F235 K236 Y239 L243 V266H194-L241 HydrophobicContact CB-CD1 3.97Å; F235-L241 CarbonylContact C-O 3.43Å; F235-L241 PolarHBondContact O-N 2.93Å; F235-L241 VanDerWaalsContact O-N 3.13Å; K236-L241 WeakPolarHBondContact CA-O 3.27Å; K236-L241 PolarHBondContact N-O 2.84Å; Y239-L241 PolarHBondContact O-N 3.15Å; Y239-L241 VanDerWaalsContact O-N 3.08Å; L241-L243 HydrophobicContact CD2-CD2 3.57Å; L241-L243 HydrophobicContact CD2-CG 4.46Å; L241-V266 HydrophobicContact CD1-CG1 4.03Å; L241-V266 HydrophobicContact CD2-CG1 4.23Å
242Q96.4Very high95.6Very high156 Ų15663.3 Ų63.373%0.72931%0.305SS*.  trans-81.8118.6172.4-178170.32.300110K244Q242-K244 PolarHBondContact O-N 3.25Å
243L95.9Very high95.6Very high18 Ų1862.2 Ų62.29%0.09430%0.296CS..  trans-67.3134.7-178.1-61.8178.3000111.7A212 A232 F235 L241 P246 P263 E265A212-L243 HydrophobicContact CB-CD1 3.95Å; A232-L243 HydrophobicContact CB-CD1 3.89Å; F235-L243 HydrophobicContact CB-CD2 4.48Å; L241-L243 HydrophobicContact CD2-CD2 3.57Å; L241-L243 HydrophobicContact CD2-CG 4.46Å; L243-P246 HydrophobicContact CB-CB 4.29Å; L243-P263 HydrophobicContact CD1-CB 4.18Å; L243-P263 HydrophobicContact CD1-CG 3.95Å; L243-P263 HydrophobicContact CD2-CB 3.79Å; L243-P263 HydrophobicContact CD2-CG 3.81Å; L243-E265 WeakPolarHBondContact CA-OE1 3.26Å; L243-E265 HydrophobicContact CD2-CG 4.03Å; L243-E265 VanDerWaalsContact CD2-OE1 3.26Å; L243-E265 WeakPolarHBondContact CD2-OE1 3.37Å
244K95.2Very high95.3Very high165 Ų16559.8 Ų59.872%0.71730%0.297SS*.SBendtrans-78.4-35.4175.2-65.4-176.7-179-179.60112Q242 P246 E265Q242-K244 PolarHBondContact O-N 3.25Å; K244-P246 VanDerWaalsContact O-CD 3.29Å; K244-P246 WeakPolarHBondContact O-CD 3.41Å; K244-E265 PolarHBondContact N-OE1 2.85Å; K244-E265 PolarHBondContact N-OE2 3.02Å
245Y95.8Very high94.9Very high50 Ų5062.4 Ų62.420%0.19631%0.312CS..  trans-120.958.6-176.7-48.6-73.9000112.6I154 I166 H247 L248 E265I154-Y245 HydrophobicContact CD1-CD2 4.01Å; I154-Y245 HydrophobicContact CG1-CD2 4.38Å; I154-Y245 HydrophobicContact CG1-CE2 4.49Å; I166-Y245 HydrophobicContact CG1-CD1 4.17Å; I166-Y245 HydrophobicContact CG1-CE1 3.79Å; I166-Y245 HydrophobicContact CG2-CE1 4.15Å; I166-Y245 WeakPolarHBondContact CG2-OH 3.45Å; Y245-H247 PolarHBondContact O-N 3.28Å; Y245-H247 VanDerWaalsContact O-N 3.17Å; Y245-L248 HydrophobicContact CG-CD1 4.13Å; Y245-L248 PolarHBondContact O-N 3.19Å; Y245-L248 VanDerWaalsContact O-N 3.14Å; Y245-E265 HydrophobicContact CD2-CB 4.23Å; Y245-E265 VanDerWaalsContact CD2-OE2 3.24Å; Y245-E265 WeakPolarHBondContact CD2-OE2 3.48Å; Y245-E265 PolarHBondContact N-OE2 3.47Å
246P96.6Very high94.4Very high44 Ų4466.9 Ų66.929%0.28633%0.332SS..THydrogen-bonded Turntrans-68.8-13.4-175.730.8-37.1000114A212 S213 L243 K244 L248A212-P246 PolarHBondContact N-O 3.33Å; S213-P246 WeakPolarHBondContact CB-O 3.46Å; S213-P246 PolarHBondContact N-O 2.97Å; S213-P246 PolarHBondContact OG-O 3.44Å; L243-P246 HydrophobicContact CB-CB 4.29Å; K244-P246 VanDerWaalsContact O-CD 3.29Å; K244-P246 WeakPolarHBondContact O-CD 3.41Å; P246-L248 VanDerWaalsContact C-N 3.35Å
247H95.6Very high94Very high37 Ų3768 Ų6817%0.17134%0.34CS..THydrogen-bonded Turntrans-81.5-9174.759.1-71.1000113.7Q169 P211 Y245Q169-H247 PolarHBondContact O-NE2 2.87Å; P211-H247 VanDerWaalsContact CB-O 3.27Å; P211-H247 WeakPolarHBondContact CB-O 3.28Å; Y245-H247 PolarHBondContact O-N 3.28Å; Y245-H247 VanDerWaalsContact O-N 3.17Å
248L97.3Very high93.9Very high2 Ų266.9 Ų66.91%0.0133%0.333CS..SBendtrans-85.2155.9174.8-65.8-178.2000111.5I154 M157 I166 L173 P211 A212 Y245 P246 L264I154-L248 HydrophobicContact CD1-CD1 3.67Å; M157-L248 HydrophobicContact CE-CD1 3.91Å; M157-L248 HydrophobicContact CE-CD2 4.25Å; M157-L248 HydrophobicContact SD-CD2 4.48Å; I166-L248 HydrophobicContact CD1-CD1 4.27Å; L173-L248 HydrophobicContact CD2-CD2 4.25Å; L173-L248 HydrophobicContact CG-CD2 4.27Å; P211-L248 CarbonylContact C-O 3.57Å; P211-L248 VanDerWaalsContact CA-O 3.3Å; P211-L248 WeakPolarHBondContact CA-O 3.3Å; A212-L248 PolarHBondContact N-O 3.4Å; Y245-L248 HydrophobicContact CG-CD1 4.13Å; Y245-L248 PolarHBondContact O-N 3.19Å; Y245-L248 VanDerWaalsContact O-N 3.14Å; P246-L248 VanDerWaalsContact C-N 3.35Å; L248-L264 HydrophobicContact CB-CD1 4.16Å; L248-L264 HydrophobicContact CD1-CD1 4.22Å
249P97.9Very high93.9Very high7 Ų765 Ų655%0.04533%0.326CS..EExtended strand (participates in β ladder)trans-69.3173.2177.431.1-37.1000112.6L173 V207 T208 L264L173-P249 HydrophobicContact CD1-CG 4.04Å; V207-P249 HydrophobicContact CG1-CB 3.71Å; V207-P249 HydrophobicContact CG1-CG 3.72Å; T208-P249 VanDerWaalsContact O-CB 3.25Å; T208-P249 WeakPolarHBondContact O-CB 3.48Å; P249-L264 WeakPolarHBondContact O-CD2 3.25Å; P249-L264 VanDerWaalsContact O-CG 3.29Å; P249-L264 WeakPolarHBondContact O-CG 3.35Å
250C98.4Very high94.1Very high0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-104.6154.1172.7-57.50000111.1V207 T208 A212 L262V207-C250 WeakPolarHBondContact CA-O 3.31Å; T208-C250 HydrophobicContact CG2-CB 4Å; T208-C250 PolarHBondContact N-O 3.44Å; T208-C250 PolarHBondContact OG1-N 3.48Å; T208-C250 PolarHBondContact OG1-O 3.02Å; A212-C250 VanDerWaalsContact CA-SG 3.59Å; A212-C250 VanDerWaalsContact CB-SG 3.56Å; C250-L262 CarbonylContact C-O 3.55Å; C250-L262 WeakPolarHBondContact CA-O 3.33Å; C250-L262 WeakPolarHBondContact CB-O 3.34Å
251L98.3Very high94.3Very high0 Ų060.2 Ų60.20%030%0.297CS..EExtended strand (participates in β ladder)trans-79.3125.4163.8-57-178.5000108.9I153 F181 I185 V190 V204 V207 V253 Y261 L262 L264 C267I153-L251 HydrophobicContact CD1-CD1 4.36Å; I153-L251 HydrophobicContact CG1-CD1 4.21Å; I153-L251 HydrophobicContact CG2-CD1 4.28Å; F181-L251 HydrophobicContact CE1-CD2 4.2Å; F181-L251 HydrophobicContact CZ-CD2 4.3Å; I185-L251 HydrophobicContact CG1-CD2 4.13Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; V190-L251 HydrophobicContact CG1-CD1 4.09Å; V190-L251 HydrophobicContact CG2-CD1 4.22Å; V204-L251 HydrophobicContact CG1-CB 4.42Å; V204-L251 HydrophobicContact CG1-CD2 4.2Å; V204-L251 HydrophobicContact CG2-CB 4.42Å; V204-L251 HydrophobicContact CG2-CD1 3.92Å; V207-L251 HydrophobicContact CG2-CD2 4.13Å; L251-V253 HydrophobicContact CB-CG1 4.23Å; L251-Y261 CarbonylContact O-C 3.55Å; L251-Y261 WeakPolarHBondContact O-CA 3.41Å; L251-L262 PolarHBondContact N-O 3.47Å; L251-L262 PolarHBondContact O-N 3.29Å; L251-L264 HydrophobicContact CD2-CD2 3.64Å; L251-L264 HydrophobicContact CG-CD2 3.67Å; L251-C267 HydrophobicContact CD1-CB 4.26Å
252Q97.8Very high94.5Very high21 Ų2158.6 Ų58.610%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-86129.7164.3-168.3-173.66.900108.3C205 N206 E256 K258 T260 Y261C205-Q252 PolarHBondContact N-O 2.84Å; C205-Q252 VanDerWaalsContact SG-C 3.56Å; C205-Q252 PolarHBondContact SG-O 3.39Å; N206-Q252 HydrophobicContact CB-CB 3.98Å; N206-Q252 PolarHBondContact N-O 2.77Å; N206-Q252 PolarHBondContact O-N 3.45Å; Q252-E256 PolarHBondContact NE2-O 3.14Å; Q252-K258 PolarHBondContact NE2-O 3.11Å; Q252-T260 WeakPolarHBondContact CA-O 3.35Å; Q252-Y261 HydrophobicContact CB-CD1 3.99Å; Q252-Y261 HydrophobicContact CB-CE1 4.01Å; Q252-Y261 HydrophobicContact CG-CD1 4Å; Q252-Y261 HydrophobicContact CG-CE1 3.7Å
253V95.6Very high94.5Very high0 Ų051.3 Ų51.30%025%0.254CS..EExtended strand (participates in β ladder)trans-131156-174.2-62.40000113.1V190 Y202 R203 V204 L251 T260 L262V190-V253 HydrophobicContact CG2-CG1 4.32Å; Y202-V253 HydrophobicContact CD1-CB 4.29Å; Y202-V253 HydrophobicContact CD1-CG2 3.73Å; Y202-V253 HydrophobicContact CE1-CG2 4.34Å; Y202-V253 HydrophobicContact CG-CB 4.26Å; Y202-V253 HydrophobicContact CG-CG2 3.9Å; R203-V253 WeakPolarHBondContact O-CA 3.48Å; V204-V253 HydrophobicContact CG2-CG1 4.18Å; L251-V253 HydrophobicContact CB-CG1 4.23Å; V253-T260 HydrophobicContact CG2-CG2 3.62Å; V253-T260 PolarHBondContact N-O 2.84Å; V253-L262 HydrophobicContact CG1-CD1 3.97Å; V253-L262 HydrophobicContact CG2-CD1 3.84Å; V253-L262 HydrophobicContact CG2-CG 4.06Å
254G90.2Very high94.6Very high48 Ų4850.7 Ų50.750%0.49525%0.251SS..SBendtrans83.5-129.4179.300000112.4R203R203-G254 PolarHBondContact O-N 2.92Å; R203-G254 VanDerWaalsContact O-N 3.08Å
255Q86.5Confident94.7Very high108 Ų10845.1 Ų45.151%0.50523%0.228SC..  trans-81.2129.2179.5-69.7176-9.700109.9Q257 K258Q255-Q257 PolarHBondContact O-N 3.49Å; Q255-K258 HydrophobicContact CB-CB 4.27Å; Q255-K258 HydrophobicContact CB-CD 4.23Å; Q255-K258 HydrophobicContact CB-CG 4.09Å; Q255-K258 PolarHBondContact O-N 3.04Å
256E85.9Confident94.7Very high98 Ų9842.9 Ų42.946%0.45822%0.219SC..THydrogen-bonded Turntrans-60.8-27.6-179.2-74.5-174.3178.300112.9R186 C205 Q252 K258R186-E256 IonicContact CZ-OE1 3.5Å; R186-E256 IonicContact NE-OE1 3.58Å; R186-E256 IonicContact NH2-OE1 2.74Å; R186-E256 PolarHBondContact NH2-OE1 3.26Å; R186-E256 IonicContact NH2-OE2 3.72Å; C205-E256 HydrophobicContact CB-CG 3.46Å; C205-E256 VanDerWaalsContact CB-CG 3.46Å; Q252-E256 PolarHBondContact NE2-O 3.14Å; E256-K258 PolarHBondContact O-N 3.39Å
257Q87.6Confident94.7Very high158 Ų15840.8 Ų40.874%0.73821%0.206SC*.THydrogen-bonded Turntrans-76.4-8.4175.6-52.592.6-5.800113.5Q255Q255-Q257 PolarHBondContact O-N 3.49Å
258K90.8Very high94.8Very high114 Ų11441.1 Ų41.150%0.49621%0.209SC..SBendtrans-103.8161.1180-69.5-172173.51750111.5Q252 Q255 E256Q252-K258 PolarHBondContact NE2-O 3.11Å; Q255-K258 HydrophobicContact CB-CB 4.27Å; Q255-K258 HydrophobicContact CB-CD 4.23Å; Q255-K258 HydrophobicContact CB-CG 4.09Å; Q255-K258 PolarHBondContact O-N 3.04Å; E256-K258 PolarHBondContact O-N 3.39Å
259H91.5Very high94.8Very high101 Ų10141.1 Ų41.147%0.46821%0.209SC..  trans-104.943.4-170.6-47.9101.8000112.4F217 Y261F217-H259 HydrophobicContact CB-CB 3.99Å; H259-Y261 HydrophobicContact CB-CE2 3.85Å; H259-Y261 WeakPolarHBondContact O-CD2 3.3Å; H259-Y261 PolarHBondContact O-N 2.89Å
260T95.2Very high94.6Very high59 Ų5941.6 Ų41.636%0.36221%0.212SC..  trans-89.3107.3177.8-51.80000110Q252 V253Q252-T260 WeakPolarHBondContact CA-O 3.35Å; V253-T260 HydrophobicContact CG2-CG2 3.62Å; V253-T260 PolarHBondContact N-O 2.84Å
261Y97.8Very high94.4Very high35 Ų3544.4 Ų44.414%0.13724%0.235CC..EExtended strand (participates in β ladder)trans-115.6133-177.3-53.8-60.3000111.5T208 Q215 T216 F217 V231 L251 Q252 H259T208-Y261 HydrophobicContact CG2-CD1 3.57Å; T208-Y261 HydrophobicContact CG2-CE1 3.72Å; T208-Y261 HydrophobicContact CG2-CG 4.39Å; Q215-Y261 HydrophobicContact CG-CD2 4.01Å; Q215-Y261 HydrophobicContact CG-CE2 4.23Å; Q215-Y261 HydrophobicContact CG-CG 4.2Å; T216-Y261 WeakPolarHBondContact O-CE2 3.23Å; F217-Y261 HydrophobicContact CB-CD2 4.09Å; F217-Y261 HydrophobicContact CB-CE2 3.94Å; F217-Y261 HydrophobicContact CD1-CD2 4.41Å; V231-Y261 HydrophobicContact CG2-CD2 4.23Å; V231-Y261 HydrophobicContact CG2-CG 4.38Å; L251-Y261 CarbonylContact O-C 3.55Å; L251-Y261 WeakPolarHBondContact O-CA 3.41Å; Q252-Y261 HydrophobicContact CB-CD1 3.99Å; Q252-Y261 HydrophobicContact CB-CE1 4.01Å; Q252-Y261 HydrophobicContact CG-CD1 4Å; Q252-Y261 HydrophobicContact CG-CE1 3.7Å; H259-Y261 HydrophobicContact CB-CE2 3.85Å; H259-Y261 WeakPolarHBondContact O-CD2 3.3Å; H259-Y261 PolarHBondContact O-N 2.89Å
262L97.7Very high94.1Very high9 Ų945.4 Ų45.45%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-119127177.4-59.6176.1000110.2V192 Y202 C250 L251 V253 C267V192-L262 HydrophobicContact CG1-CD1 3.78Å; V192-L262 HydrophobicContact CG1-CD2 4.12Å; Y202-L262 HydrophobicContact CD2-CD1 3.93Å; Y202-L262 HydrophobicContact CE2-CD1 4.31Å; Y202-L262 HydrophobicContact CG-CD1 4.37Å; C250-L262 CarbonylContact C-O 3.55Å; C250-L262 WeakPolarHBondContact CA-O 3.33Å; C250-L262 WeakPolarHBondContact CB-O 3.34Å; L251-L262 PolarHBondContact N-O 3.47Å; L251-L262 PolarHBondContact O-N 3.29Å; V253-L262 HydrophobicContact CG1-CD1 3.97Å; V253-L262 HydrophobicContact CG2-CD1 3.84Å; V253-L262 HydrophobicContact CG2-CG 4.06Å; L262-C267 VanDerWaalsContact CB-SG 3.6Å
263P98.1Very high93.9Very high3 Ų345.7 Ų45.72%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-56.1146.2167.5-23.532.6000111.6V231 F235 L243 E265 V266 C267V231-P263 HydrophobicContact CG1-CG 3.65Å; F235-P263 HydrophobicContact CD1-CG 4.44Å; F235-P263 HydrophobicContact CD2-CG 3.91Å; F235-P263 HydrophobicContact CE1-CG 4.35Å; F235-P263 HydrophobicContact CE2-CG 3.81Å; F235-P263 HydrophobicContact CG-CG 4.23Å; F235-P263 VanDerWaalsContact CZ-CD 3.44Å; F235-P263 HydrophobicContact CZ-CG 4.05Å; L243-P263 HydrophobicContact CD1-CB 4.18Å; L243-P263 HydrophobicContact CD1-CG 3.95Å; L243-P263 HydrophobicContact CD2-CB 3.79Å; L243-P263 HydrophobicContact CD2-CG 3.81Å; P263-E265 VanDerWaalsContact C-N 3.28Å; P263-E265 HydrophobicContact CB-CG 4.31Å; P263-E265 PolarHBondContact O-N 2.61Å; P263-V266 HydrophobicContact CB-CG2 4.09Å; P263-V266 HydrophobicContact CG-CG2 4.23Å; P263-V266 VanDerWaalsContact O-CG2 3.26Å; P263-V266 WeakPolarHBondContact O-CG2 3.36Å; P263-V266 PolarHBondContact O-N 2.89Å; P263-C267 PolarHBondContact O-SG 2.84Å; P263-C267 VanDerWaalsContact O-SG 3.4Å
264L97.8Very high93.9Very high5 Ų551.3 Ų51.33%0.02627%0.268CS..G310 helixtrans-61.7-38.3-177.9-54.2-169.9000112.1I153 I154 M157 F181 L248 P249 L251 V266 C267I153-L264 HydrophobicContact CG2-CB 4.01Å; I153-L264 HydrophobicContact CG2-CD2 4Å; I153-L264 HydrophobicContact CG2-CG 4.41Å; I154-L264 HydrophobicContact CD1-CB 3.6Å; I154-L264 HydrophobicContact CD1-CD1 4.39Å; I154-L264 HydrophobicContact CG1-CB 4.34Å; M157-L264 HydrophobicContact SD-CD1 3.73Å; F181-L264 HydrophobicContact CE1-CD1 4.31Å; F181-L264 HydrophobicContact CE1-CD2 4.24Å; F181-L264 HydrophobicContact CZ-CD1 4.45Å; F181-L264 HydrophobicContact CZ-CD2 4.41Å; L248-L264 HydrophobicContact CB-CD1 4.16Å; L248-L264 HydrophobicContact CD1-CD1 4.22Å; P249-L264 WeakPolarHBondContact O-CD2 3.25Å; P249-L264 VanDerWaalsContact O-CG 3.29Å; P249-L264 WeakPolarHBondContact O-CG 3.35Å; L251-L264 HydrophobicContact CD2-CD2 3.64Å; L251-L264 HydrophobicContact CG-CD2 3.67Å; L264-V266 PolarHBondContact O-N 2.85Å; L264-C267 PolarHBondContact O-N 3.04Å
265E96Very high94Very high48 Ų4849.4 Ų49.422%0.22425%0.247CC..G310 helixtrans-71.4-11.2-175.761.8-178-126.700115.3I154 L243 K244 Y245 P263I154-E265 HydrophobicContact CD1-CB 4.47Å; I154-E265 HydrophobicContact CG1-CB 4.19Å; L243-E265 WeakPolarHBondContact CA-OE1 3.26Å; L243-E265 HydrophobicContact CD2-CG 4.03Å; L243-E265 VanDerWaalsContact CD2-OE1 3.26Å; L243-E265 WeakPolarHBondContact CD2-OE1 3.37Å; K244-E265 PolarHBondContact N-OE1 2.85Å; K244-E265 PolarHBondContact N-OE2 3.02Å; Y245-E265 HydrophobicContact CD2-CB 4.23Å; Y245-E265 VanDerWaalsContact CD2-OE2 3.24Å; Y245-E265 WeakPolarHBondContact CD2-OE2 3.48Å; Y245-E265 PolarHBondContact N-OE2 3.47Å; P263-E265 VanDerWaalsContact C-N 3.28Å; P263-E265 HydrophobicContact CB-CG 4.31Å; P263-E265 PolarHBondContact O-N 2.61Å
266V96.1Very high94Very high3 Ų349.2 Ų49.22%0.01825%0.248CC..G310 helixtrans-103.215.7176.9-57.50000113V192 T193 H194 F235 L241 P263 L264V192-V266 VanDerWaalsContact CA-O 3.31Å; V192-V266 WeakPolarHBondContact CA-O 3.45Å; T193-V266 PolarHBondContact N-O 3.29Å; T193-V266 WeakPolarHBondContact OG1-CA 3.35Å; T193-V266 PolarHBondContact OG1-O 2.77Å; H194-V266 HydrophobicContact CB-CB 4.29Å; H194-V266 HydrophobicContact CB-CG1 4.23Å; F235-V266 HydrophobicContact CD1-CG1 4.4Å; F235-V266 HydrophobicContact CE1-CB 4.45Å; F235-V266 HydrophobicContact CE1-CG1 4.15Å; F235-V266 HydrophobicContact CE1-CG2 3.89Å; F235-V266 HydrophobicContact CZ-CG2 4.14Å; L241-V266 HydrophobicContact CD1-CG1 4.03Å; L241-V266 HydrophobicContact CD2-CG1 4.23Å; P263-V266 HydrophobicContact CB-CG2 4.09Å; P263-V266 HydrophobicContact CG-CG2 4.23Å; P263-V266 VanDerWaalsContact O-CG2 3.26Å; P263-V266 WeakPolarHBondContact O-CG2 3.36Å; P263-V266 PolarHBondContact O-N 2.89Å; L264-V266 PolarHBondContact O-N 2.85Å
267C96.8Very high94.1Very high1 Ų147.6 Ų47.61%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-129.7140.5-174.3-63.30000112I153 V190 E191 L251 L262 P263 L264I153-C267 HydrophobicContact CB-CB 4.25Å; I153-C267 HydrophobicContact CG1-CB 3.51Å; I153-C267 VanDerWaalsContact CG1-O 3.31Å; I153-C267 WeakPolarHBondContact CG1-O 3.48Å; I153-C267 PolarHBondContact N-O 3.31Å; V190-C267 HydrophobicContact CB-CB 4.4Å; E191-C267 CarbonylContact O-C 3.6Å; E191-C267 WeakPolarHBondContact O-CA 3.26Å; L251-C267 HydrophobicContact CD1-CB 4.26Å; L262-C267 VanDerWaalsContact CB-SG 3.6Å; P263-C267 PolarHBondContact O-SG 2.84Å; P263-C267 VanDerWaalsContact O-SG 3.4Å; L264-C267 PolarHBondContact O-N 3.04Å
268N97.1Very high94Very high43 Ų4347.6 Ų47.623%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-116.8149167.6-66.1-20.1000110.6Q151 P152 V190 E191 T193 V270Q151-N268 CarbonylContact O-C 3.43Å; Q151-N268 WeakPolarHBondContact O-CA 3.4Å; P152-N268 WeakPolarHBondContact CA-OD1 3.36Å; V190-N268 CarbonylContact C-O 3.59Å; V190-N268 WeakPolarHBondContact CA-O 3.33Å; V190-N268 WeakPolarHBondContact CB-O 3.44Å; E191-N268 HydrophobicContact CG-CB 3.95Å; E191-N268 PolarHBondContact N-O 3.03Å; E191-N268 PolarHBondContact O-N 3.06Å; T193-N268 WeakPolarHBondContact CG2-ND2 3.36Å; N268-V270 PolarHBondContact O-N 2.81Å
269I97.1Very high93.8Very high2 Ų243.3 Ų43.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-65.9127.1165.5-63.1-71.9000108.7R149 Q151 I153 F156 I185 L188 V190R149-I269 WeakPolarHBondContact O-CB 3.37Å; R149-I269 VanDerWaalsContact O-CG2 3.32Å; R149-I269 WeakPolarHBondContact O-CG2 3.36Å; Q151-I269 PolarHBondContact O-N 3.11Å; I153-I269 HydrophobicContact CD1-CD1 3.34Å; I153-I269 HydrophobicContact CD1-CG1 3.67Å; F156-I269 HydrophobicContact CB-CG1 4.29Å; F156-I269 HydrophobicContact CD1-CD1 4.39Å; F156-I269 HydrophobicContact CD2-CD1 4.4Å; F156-I269 HydrophobicContact CD2-CG1 4.3Å; F156-I269 HydrophobicContact CG-CD1 4.25Å; F156-I269 HydrophobicContact CG-CG1 4.21Å; I185-I269 HydrophobicContact CD1-CD1 3.51Å; L188-I269 HydrophobicContact CD1-CD1 4.11Å; V190-I269 HydrophobicContact CG1-CD1 4.44Å
270V95.1Very high93.7Very high17 Ų1740.6 Ų40.610%0.10321%0.21CC..PPolyproline II helixtrans-67.9135.3175178.80000109.8K189 E191 K201 N268 Q273K189-V270 HydrophobicContact CB-CB 4.17Å; K189-V270 HydrophobicContact CB-CG2 4.02Å; K189-V270 PolarHBondContact O-N 2.9Å; K189-V270 VanDerWaalsContact O-N 3.17Å; E191-V270 HydrophobicContact CB-CG2 3.97Å; E191-V270 HydrophobicContact CG-CG2 4.2Å; K201-V270 HydrophobicContact CD-CG1 4.39Å; K201-V270 HydrophobicContact CD-CG2 4.37Å; K201-V270 HydrophobicContact CG-CG2 3.99Å; N268-V270 PolarHBondContact O-N 2.81Å; V270-Q273 WeakPolarHBondContact O-CG 3.27Å; V270-Q273 PolarHBondContact O-NE2 2.99Å
271A92.6Very high93.2Very high60 Ų6042 Ų4250%0.49622%0.216SC..THydrogen-bonded Turntrans-61.8161177.300000113.4A150 Q273A150-A271 HydrophobicContact CB-CB 3.81Å; A271-Q273 VanDerWaalsContact C-N 3.3Å; A271-Q273 PolarHBondContact O-N 3.07Å
272G92.3Very high92.7Very high21 Ų2146.7 Ų46.722%0.21624%0.243CC..THydrogen-bonded Turntrans72.917.4172.800000114.9W122 F147W122-G272 VanDerWaalsContact CH2-CA 3.46Å; F147-G272 WeakPolarHBondContact CE1-O 3.48Å
273Q94.8Very high92.4Very high26 Ų2646.9 Ų46.912%0.12124%0.244CC..  trans-91.3107.8176.7-66.1-172.691.400111.4F147 Y148 K189 V270 A271 C275F147-Q273 WeakPolarHBondContact CA-O 3.48Å; F147-Q273 VanDerWaalsContact CD1-C 3.42Å; Y148-Q273 HydrophobicContact CD2-CB 4.29Å; Y148-Q273 WeakPolarHBondContact CD2-O 3.07Å; Y148-Q273 PolarHBondContact N-O 3.42Å; K189-Q273 VanDerWaalsContact CB-OE1 3.28Å; K189-Q273 PolarHBondContact O-NE2 3.14Å; V270-Q273 WeakPolarHBondContact O-CG 3.27Å; V270-Q273 PolarHBondContact O-NE2 2.99Å; A271-Q273 VanDerWaalsContact C-N 3.3Å; A271-Q273 PolarHBondContact O-N 3.07Å; Q273-C275 PolarHBondContact O-N 2.8Å
274R94.4Very high92.1Very high118 Ų11849.2 Ų49.245%0.44526%0.258SS..BIsolated β-bridgetrans-61135.7176.1179.6-176.3177.5-164.9-1.2111.6V100 F147 I276V100-R274 VanDerWaalsContact CG1-CD 3.43Å; F147-R274 HydrophobicContact CD1-CB 4.39Å; F147-R274 HydrophobicContact CE1-CB 4.08Å; F147-R274 HydrophobicContact CZ-CB 4.34Å; R274-I276 PolarHBondContact O-N 3.36Å
275C93.1Very high91.7Very high8 Ų851.4 Ų51.45%0.05427%0.274CS..  trans-76.4110.4168.3-170.80000110.1A146 Y148 Q273A146-C275 HydrophobicContact CB-CB 3.87Å; A146-C275 PolarHBondContact O-N 2.79Å; Y148-C275 HydrophobicContact CD2-CB 4.35Å; Y148-C275 HydrophobicContact CE2-CB 3.97Å; Q273-C275 PolarHBondContact O-N 2.8Å
276I87.4Confident91.5Very high105 Ų10552 Ų5254%0.53828%0.281SS..  trans-92.8-22.9177.7-60.9171.4000111R274 A528R274-I276 PolarHBondContact O-N 3.36Å; I276-A528 HydrophobicContact CG2-CB 3.33Å
277K86.1Confident91.3Very high63 Ų6353.6 Ų53.627%0.27429%0.288SS..SBendtrans-65.5148.6177.8-64.2179-171.6167.50109.9K183 E184 L279K183-K277 PolarHBondContact O-NZ 2.82Å; E184-K277 VanDerWaalsContact C-NZ 3.35Å; E184-K277 PolarHBondContact O-NZ 2.82Å; K277-L279 PolarHBondContact O-N 3.04Å
278K85.4Confident91Very high158 Ų15857.6 Ų57.669%0.68731%0.309SS*.PPolyproline II helixtrans-61.7133176.5-169.5-176.3173-173.20109.5
279L88.3Confident90.6Very high25 Ų2563 Ų6313%0.13133%0.33CS..PPolyproline II helixtrans-69.1148.9172-62.6-177.5000110.7L115 A146 K277 Q283 M287L115-L279 HydrophobicContact CD1-CD1 4.36Å; L115-L279 HydrophobicContact CD1-CD2 4.46Å; A146-L279 HydrophobicContact CB-CD1 4.27Å; A146-L279 HydrophobicContact CB-CD2 3.96Å; K277-L279 PolarHBondContact O-N 3.04Å; L279-Q283 HydrophobicContact CB-CB 3.9Å; L279-Q283 HydrophobicContact CD2-CB 4.34Å; L279-Q283 HydrophobicContact CG-CB 4.49Å; L279-M287 HydrophobicContact CD1-CB 4.4Å; L279-M287 HydrophobicContact CD1-SD 3.49Å; L279-M287 WeakPolarHBondContact CD1-SD 3.12Å
280T88.2Confident90.1Very high44 Ų4463.6 Ų63.627%0.2734%0.335SS..PPolyproline II helixtrans-66.7165.7170.569.50000110.3N282 Q283 T284T280-N282 PolarHBondContact O-N 2.9Å; T280-Q283 PolarHBondContact O-N 3.48Å; T280-Q283 WeakPolarHBondContact OG1-CB 3.33Å; T280-Q283 VanDerWaalsContact OG1-CG 3.29Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.16Å; T280-Q283 PolarHBondContact OG1-N 2.94Å; T280-Q283 PolarHBondContact OG1-OE1 3.37Å; T280-T284 WeakPolarHBondContact O-CB 3.39Å; T280-T284 PolarHBondContact O-N 3.15Å; T280-T284 PolarHBondContact O-OG1 3.46Å
281D84.9Confident89.9Confident88 Ų8864.8 Ų64.847%0.47134%0.343SS..Hα-helixtrans-62.5-36179.9-62.6-36.7000111.2S285 K450D281-S285 WeakPolarHBondContact O-CB 3.32Å; D281-S285 PolarHBondContact O-N 3.38Å; D281-K450 IonicContact OD2-NZ 2.79Å; D281-K450 PolarHBondContact OD2-NZ 2.92Å
282N87.3Confident89.7Confident133 Ų13363.6 Ų63.671%0.71133%0.333SS*.Hα-helixtrans-67.2-49.1174.6-71.9-12000111.9T280 T284 S285 T286T280-N282 PolarHBondContact O-N 2.9Å; N282-T284 VanDerWaalsContact C-N 3.28Å; N282-T284 PolarHBondContact O-N 2.95Å; N282-S285 WeakPolarHBondContact O-CB 3.49Å; N282-S285 PolarHBondContact O-N 2.95Å; N282-S285 VanDerWaalsContact O-N 3.15Å; N282-T286 PolarHBondContact O-N 3.33Å; N282-T286 PolarHBondContact O-OG1 3.21Å
283Q92.2Very high89.8Confident13 Ų1366 Ų666%0.06134%0.336CS..Hα-helixtrans-59.4-40.4176.1-75.1169.5-1300111.8L115 G116 L279 T280 T286 M287L115-Q283 HydrophobicContact CB-CB 4.45Å; L115-Q283 HydrophobicContact CB-CG 4.12Å; L115-Q283 VanDerWaalsContact O-CG 3.24Å; L115-Q283 WeakPolarHBondContact O-CG 3.49Å; G116-Q283 PolarHBondContact O-NE2 3.46Å; L279-Q283 HydrophobicContact CB-CB 3.9Å; L279-Q283 HydrophobicContact CD2-CB 4.34Å; L279-Q283 HydrophobicContact CG-CB 4.49Å; T280-Q283 PolarHBondContact O-N 3.48Å; T280-Q283 WeakPolarHBondContact OG1-CB 3.33Å; T280-Q283 VanDerWaalsContact OG1-CG 3.29Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.16Å; T280-Q283 PolarHBondContact OG1-N 2.94Å; T280-Q283 PolarHBondContact OG1-OE1 3.37Å; Q283-T286 PolarHBondContact O-N 2.88Å; Q283-M287 VanDerWaalsContact O-CB 3.31Å; Q283-M287 WeakPolarHBondContact O-CB 3.41Å; Q283-M287 PolarHBondContact O-N 2.97Å
284T90.8Very high89.9Confident53 Ų5366 Ų6633%0.32534%0.338SS..Hα-helixtrans-63-43.2176.4-57.40000110.9T280 N282 M287 I288T280-T284 WeakPolarHBondContact O-CB 3.39Å; T280-T284 PolarHBondContact O-N 3.15Å; T280-T284 PolarHBondContact O-OG1 3.46Å; N282-T284 VanDerWaalsContact C-N 3.28Å; N282-T284 PolarHBondContact O-N 2.95Å; T284-M287 PolarHBondContact O-N 3.38Å; T284-I288 HydrophobicContact CG2-CD1 3.9Å; T284-I288 WeakPolarHBondContact O-CB 3.49Å; T284-I288 VanDerWaalsContact O-CG1 3.24Å; T284-I288 WeakPolarHBondContact O-CG1 3.48Å; T284-I288 PolarHBondContact O-N 3.34Å
285S89.3Confident90Very high51 Ų5160.4 Ų60.436%0.35732%0.317SS..Hα-helixtrans-60.9-47.4175.1-174.80000111.8D281 N282 I288 K289D281-S285 WeakPolarHBondContact O-CB 3.32Å; D281-S285 PolarHBondContact O-N 3.38Å; N282-S285 WeakPolarHBondContact O-CB 3.49Å; N282-S285 PolarHBondContact O-N 2.95Å; N282-S285 VanDerWaalsContact O-N 3.15Å; S285-I288 PolarHBondContact O-N 2.79Å; S285-K289 WeakPolarHBondContact O-CG 3.28Å; S285-K289 PolarHBondContact O-N 2.99Å
286T91.9Very high90.2Very high60 Ų6061.3 Ų61.337%0.36832%0.323SS..Hα-helixtrans-61.8-44.6176.6-56.10000111.6L115 N282 Q283 I288 K289 A290L115-T286 HydrophobicContact CD2-CG2 3.94Å; N282-T286 PolarHBondContact O-N 3.33Å; N282-T286 PolarHBondContact O-OG1 3.21Å; Q283-T286 PolarHBondContact O-N 2.88Å; T286-I288 PolarHBondContact O-N 2.78Å; T286-K289 PolarHBondContact O-N 3.2Å; T286-A290 WeakPolarHBondContact O-CB 3.44Å; T286-A290 PolarHBondContact O-N 3.42Å
287M92.9Very high90.7Very high37 Ų3760 Ų6018%0.18232%0.318CS..Hα-helixtrans-60.7-45.2176.8-174.5-179.7-179.200111.7L115 A144 L279 Q283 T284 K289 A290 T291L115-M287 HydrophobicContact CD2-CB 3.96Å; A144-M287 VanDerWaalsContact O-CE 3.32Å; A144-M287 WeakPolarHBondContact O-CE 3.42Å; L279-M287 HydrophobicContact CD1-CB 4.4Å; L279-M287 HydrophobicContact CD1-SD 3.49Å; L279-M287 WeakPolarHBondContact CD1-SD 3.12Å; Q283-M287 VanDerWaalsContact O-CB 3.31Å; Q283-M287 WeakPolarHBondContact O-CB 3.41Å; Q283-M287 PolarHBondContact O-N 2.97Å; T284-M287 PolarHBondContact O-N 3.38Å; M287-K289 VanDerWaalsContact C-N 3.34Å; M287-K289 PolarHBondContact O-N 3.09Å; M287-A290 PolarHBondContact O-N 3.03Å; M287-T291 HydrophobicContact CG-CG2 4.4Å; M287-T291 WeakPolarHBondContact O-CB 3.45Å; M287-T291 VanDerWaalsContact O-CG2 3.26Å; M287-T291 WeakPolarHBondContact O-CG2 3.23Å; M287-T291 PolarHBondContact O-N 3.01Å; M287-T291 PolarHBondContact O-OG1 2.84Å
288I89.4Confident91.2Very high85 Ų8558.5 Ų58.544%0.43631%0.31SS..Hα-helixtrans-62.3-42.9177.2-71167.5000110.5T284 S285 T286 T291 A292T284-I288 HydrophobicContact CG2-CD1 3.9Å; T284-I288 WeakPolarHBondContact O-CB 3.49Å; T284-I288 VanDerWaalsContact O-CG1 3.24Å; T284-I288 WeakPolarHBondContact O-CG1 3.48Å; T284-I288 PolarHBondContact O-N 3.34Å; S285-I288 PolarHBondContact O-N 2.79Å; T286-I288 PolarHBondContact O-N 2.78Å; I288-T291 PolarHBondContact O-N 3.25Å; I288-A292 WeakPolarHBondContact O-CB 3.43Å; I288-A292 PolarHBondContact O-N 3.15Å
289K88.8Confident91.7Very high156 Ų15653.2 Ų53.268%0.67829%0.288SS*.Hα-helixtrans-63.6-41.7178.2-72.9174.1-177.4-177.40112.2S285 T286 M287 T291S285-K289 WeakPolarHBondContact O-CG 3.28Å; S285-K289 PolarHBondContact O-N 2.99Å; T286-K289 PolarHBondContact O-N 3.2Å; M287-K289 VanDerWaalsContact C-N 3.34Å; M287-K289 PolarHBondContact O-N 3.09Å; K289-T291 VanDerWaalsContact C-N 3.32Å; K289-T291 PolarHBondContact O-N 3.41Å
290A87.8Confident92.1Very high14 Ų1457.1 Ų57.112%0.11631%0.305CS..Hα-helixtrans-68.1-32.2179.500000112.8H113 T286 M287 R293H113-A290 HydrophobicContact CB-CB 4.46Å; T286-A290 WeakPolarHBondContact O-CB 3.44Å; T286-A290 PolarHBondContact O-N 3.42Å; M287-A290 PolarHBondContact O-N 3.03Å; A290-R293 PolarHBondContact O-NH1 3Å; A290-R293 PolarHBondContact O-NH2 3.5Å
291T89.7Confident92.3Very high42 Ų4257.5 Ų57.526%0.25830%0.304SS..Hα-helixtrans-108.4-10.9-168.761.90000114.4V121 F123 A144 M287 I288 K289 R293V121-T291 HydrophobicContact CG1-CG2 4.06Å; F123-T291 HydrophobicContact CE1-CG2 4.02Å; F123-T291 HydrophobicContact CZ-CG2 4.17Å; A144-T291 HydrophobicContact CB-CG2 3.32Å; M287-T291 HydrophobicContact CG-CG2 4.4Å; M287-T291 WeakPolarHBondContact O-CB 3.45Å; M287-T291 VanDerWaalsContact O-CG2 3.26Å; M287-T291 WeakPolarHBondContact O-CG2 3.23Å; M287-T291 PolarHBondContact O-N 3.01Å; M287-T291 PolarHBondContact O-OG1 2.84Å; I288-T291 PolarHBondContact O-N 3.25Å; K289-T291 VanDerWaalsContact C-N 3.32Å; K289-T291 PolarHBondContact O-N 3.41Å; T291-R293 PolarHBondContact O-N 2.81Å
292A89.5Confident92.7Very high36 Ų3653.7 Ų53.730%0.29828%0.284SS..  trans-66.1117.8175.600000109.9I288I288-A292 WeakPolarHBondContact O-CB 3.43Å; I288-A292 PolarHBondContact O-N 3.15Å
293R93.3Very high92.9Very high72 Ų7249 Ų4927%0.27226%0.261SS..  trans-125.4137.7175.1-65.5-64-176.5-90.1-3.5109A290 T291 D297 R298 E301 G693 T694A290-R293 PolarHBondContact O-NH1 3Å; A290-R293 PolarHBondContact O-NH2 3.5Å; T291-R293 PolarHBondContact O-N 2.81Å; R293-D297 HydrophobicContact CB-CB 4.31Å; R293-R298 HydrophobicContact CB-CB 4.25Å; R293-E301 WeakPolarHBondContact CD-OE1 3.47Å; R293-E301 IonicContact CZ-OE1 3.4Å; R293-E301 IonicContact NE-OE1 2.7Å; R293-E301 PolarHBondContact NE-OE1 3.36Å; R293-G693 CarbonylContact O-C 3.53Å; R293-G693 WeakPolarHBondContact O-CA 3.45Å; R293-T694 PolarHBondContact O-N 3.06Å; R293-T694 PolarHBondContact O-OG1 3.47Å
294S96.8Very high92.8Very high24 Ų2454.8 Ų54.817%0.16828%0.283CS..  trans-60.6164.2173.375.10000110P296 D297 R298 S662 T694S294-P296 WeakPolarHBondContact OG-CD 3.19Å; S294-D297 WeakPolarHBondContact CB-OD2 3.4Å; S294-D297 PolarHBondContact N-OD2 3.25Å; S294-D297 PolarHBondContact O-N 2.95Å; S294-D297 PolarHBondContact OG-N 3.19Å; S294-D297 PolarHBondContact OG-OD1 2.88Å; S294-D297 PolarHBondContact OG-OD2 3.48Å; S294-R298 WeakPolarHBondContact O-CB 3.47Å; S294-R298 PolarHBondContact O-N 2.72Å; S294-S662 WeakPolarHBondContact CB-O 3.26Å; S294-T694 PolarHBondContact O-OG1 3.03Å
295A97.6Very high92.6Very high1 Ų153.9 Ų53.91%0.00828%0.275CS..Hα-helixtrans-58.5-46.7175.800000112.3R298 Q299 F651 S662 G663 N664 T694A295-R298 PolarHBondContact O-N 2.74Å; A295-Q299 WeakPolarHBondContact O-CB 3.46Å; A295-Q299 PolarHBondContact O-N 2.86Å; A295-F651 HydrophobicContact CB-CD1 4.09Å; A295-F651 HydrophobicContact CB-CE1 4.35Å; A295-F651 WeakPolarHBondContact O-CD1 3.34Å; A295-F651 WeakPolarHBondContact O-CE1 3.33Å; A295-S662 PolarHBondContact N-O 2.89Å; A295-G663 WeakPolarHBondContact CB-O 3.19Å; A295-N664 WeakPolarHBondContact CB-OD1 3.47Å; A295-T694 HydrophobicContact CB-CG2 3.98Å
296P97.8Very high92.4Very high28 Ų2852.3 Ų52.318%0.18226%0.264CS..Hα-helixtrans-59.3-46.1174.5-26.836000113.9S294 R298 Q299 E300 S662S294-P296 WeakPolarHBondContact OG-CD 3.19Å; P296-R298 VanDerWaalsContact C-N 3.31Å; P296-R298 PolarHBondContact O-N 3.33Å; P296-Q299 WeakPolarHBondContact O-CB 3.43Å; P296-Q299 PolarHBondContact O-N 3.43Å; P296-E300 PolarHBondContact O-N 3.15Å; P296-S662 WeakPolarHBondContact CD-O 3.32Å
297D96.6Very high91.8Very high78 Ų7855.7 Ų55.742%0.41727%0.273SS..Hα-helixtrans-62.9-41.6-179.3-55.1-31.1000110.8R293 S294 E300 E301R293-D297 HydrophobicContact CB-CB 4.31Å; S294-D297 WeakPolarHBondContact CB-OD2 3.4Å; S294-D297 PolarHBondContact N-OD2 3.25Å; S294-D297 PolarHBondContact O-N 2.95Å; S294-D297 PolarHBondContact OG-N 3.19Å; S294-D297 PolarHBondContact OG-OD1 2.88Å; S294-D297 PolarHBondContact OG-OD2 3.48Å; D297-E300 PolarHBondContact O-N 3.44Å; D297-E301 WeakPolarHBondContact O-CB 3.39Å; D297-E301 WeakPolarHBondContact O-CG 3.46Å; D297-E301 PolarHBondContact O-N 2.93Å
298R96.4Very high90.6Very high30 Ų3058.2 Ų58.211%0.11329%0.294CS..Hα-helixtrans-66.8-39.8177.5-169.4178-169.1155.911.7112D141 V142 R293 S294 A295 P296 E300 E301 I302 F651 T694D141-R298 IonicContact OD1-CZ 3.56Å; D141-R298 IonicContact OD1-NE 2.78Å; D141-R298 PolarHBondContact OD1-NE 2.91Å; D141-R298 IonicContact OD1-NH2 3.47Å; D141-R298 PolarHBondContact OD1-NH2 3.37Å; D141-R298 IonicContact OD2-CZ 3.86Å; D141-R298 IonicContact OD2-NH2 2.71Å; D141-R298 PolarHBondContact OD2-NH2 2.73Å; V142-R298 HydrophobicContact CG2-CG 3.61Å; V142-R298 PolarHBondContact O-NH2 2.91Å; R293-R298 HydrophobicContact CB-CB 4.25Å; S294-R298 WeakPolarHBondContact O-CB 3.47Å; S294-R298 PolarHBondContact O-N 2.72Å; A295-R298 PolarHBondContact O-N 2.74Å; P296-R298 VanDerWaalsContact C-N 3.31Å; P296-R298 PolarHBondContact O-N 3.33Å; R298-E300 VanDerWaalsContact C-N 3.28Å; R298-E300 PolarHBondContact O-N 3.02Å; R298-E301 PolarHBondContact O-N 2.76Å; R298-I302 HydrophobicContact CG-CD1 4.01Å; R298-I302 HydrophobicContact CG-CG1 4.46Å; R298-I302 VanDerWaalsContact O-CG1 3.26Å; R298-I302 WeakPolarHBondContact O-CG1 3.44Å; R298-I302 PolarHBondContact O-N 2.71Å; R298-F651 HydrophobicContact CB-CE1 4.4Å; R298-T694 WeakPolarHBondContact CB-OG1 3.47Å; R298-T694 WeakPolarHBondContact CD-OG1 3.17Å
299Q97.2Very high89.1Confident47 Ų4755.4 Ų55.422%0.2228%0.28CS..Hα-helixtrans-58.6-44.6175-172.2-176.38.300110.4A295 P296 S303 M330 F651A295-Q299 WeakPolarHBondContact O-CB 3.46Å; A295-Q299 PolarHBondContact O-N 2.86Å; P296-Q299 WeakPolarHBondContact O-CB 3.43Å; P296-Q299 PolarHBondContact O-N 3.43Å; Q299-S303 WeakPolarHBondContact O-CB 3.21Å; Q299-S303 PolarHBondContact O-N 3.06Å; Q299-S303 PolarHBondContact O-OG 2.88Å; Q299-M330 HydrophobicContact CG-CE 3.95Å; Q299-M330 HydrophobicContact CG-SD 3.84Å; Q299-M330 WeakPolarHBondContact O-CE 3.36Å; Q299-F651 HydrophobicContact CB-CD1 3.7Å; Q299-F651 HydrophobicContact CB-CD2 4.16Å; Q299-F651 HydrophobicContact CB-CE1 3.81Å; Q299-F651 HydrophobicContact CB-CE2 4.26Å; Q299-F651 HydrophobicContact CB-CG 3.88Å; Q299-F651 HydrophobicContact CB-CZ 4.09Å; Q299-F651 HydrophobicContact CG-CB 4.19Å; Q299-F651 HydrophobicContact CG-CD1 4.21Å; Q299-F651 HydrophobicContact CG-CD2 3.9Å; Q299-F651 HydrophobicContact CG-CE2 4.3Å; Q299-F651 HydrophobicContact CG-CG 3.85Å
300E95.3Very high87.3Confident107 Ų10750.7 Ų50.750%0.527%0.267SS..Hα-helixtrans-67.4-43.7177.3-167.8-178.2161.800111.9P296 D297 R298 I302 S303 R304P296-E300 PolarHBondContact O-N 3.15Å; D297-E300 PolarHBondContact O-N 3.44Å; R298-E300 VanDerWaalsContact C-N 3.28Å; R298-E300 PolarHBondContact O-N 3.02Å; E300-I302 VanDerWaalsContact C-N 3.34Å; E300-I302 PolarHBondContact O-N 2.57Å; E300-S303 PolarHBondContact O-N 3.45Å; E300-R304 VanDerWaalsContact O-CB 3.25Å; E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 PolarHBondContact O-N 2.86Å; E300-R304 IonicContact OE1-CZ 3.75Å; E300-R304 IonicContact OE1-NH2 3.5Å; E300-R304 PolarHBondContact OE1-NH2 3.42Å
301E92.7Very high85.7Confident53 Ų5350.9 Ų50.925%0.24827%0.266CS..Hα-helixtrans-59.2-43.2175.7-76.8178.6177.800111.7V142 R293 D297 R298 L305V142-E301 HydrophobicContact CG1-CB 4.11Å; R293-E301 WeakPolarHBondContact CD-OE1 3.47Å; R293-E301 IonicContact CZ-OE1 3.4Å; R293-E301 IonicContact NE-OE1 2.7Å; R293-E301 PolarHBondContact NE-OE1 3.36Å; D297-E301 WeakPolarHBondContact O-CB 3.39Å; D297-E301 WeakPolarHBondContact O-CG 3.46Å; D297-E301 PolarHBondContact O-N 2.93Å; R298-E301 PolarHBondContact O-N 2.76Å; E301-L305 VanDerWaalsContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CB 3.34Å; E301-L305 PolarHBondContact O-N 3.05Å
302I93.3Very high84Confident8 Ų849.1 Ų49.14%0.04126%0.255CS..Hα-helixtrans-66-46.4175.6-65.2164.8000110.4I140 V142 R298 E300 R304 L305 V306 M330 F651I140-I302 HydrophobicContact CG2-CG2 4.35Å; V142-I302 HydrophobicContact CG1-CG1 3.99Å; V142-I302 HydrophobicContact CG2-CG1 4.28Å; R298-I302 HydrophobicContact CG-CD1 4.01Å; R298-I302 HydrophobicContact CG-CG1 4.46Å; R298-I302 VanDerWaalsContact O-CG1 3.26Å; R298-I302 WeakPolarHBondContact O-CG1 3.44Å; R298-I302 PolarHBondContact O-N 2.71Å; E300-I302 VanDerWaalsContact C-N 3.34Å; E300-I302 PolarHBondContact O-N 2.57Å; I302-R304 VanDerWaalsContact C-N 3.3Å; I302-R304 PolarHBondContact O-N 2.68Å; I302-L305 WeakPolarHBondContact O-CB 3.34Å; I302-L305 PolarHBondContact O-N 3.48Å; I302-V306 HydrophobicContact CG2-CG2 4.48Å; I302-V306 WeakPolarHBondContact O-CG2 3.47Å; I302-V306 PolarHBondContact O-N 3.37Å; I302-M330 HydrophobicContact CB-CE 3.62Å; I302-M330 HydrophobicContact CD1-CE 4.37Å; I302-M330 HydrophobicContact CG2-CE 3.48Å; I302-M330 VanDerWaalsContact CG2-CE 3.48Å; I302-F651 HydrophobicContact CD1-CE2 4.33Å; I302-F651 HydrophobicContact CD1-CZ 4.04Å
303S92.4Very high82.1Confident35 Ų3548.6 Ų48.625%0.24525%0.253CS..Hα-helixtrans-61.4-40.9179.4-58.30000111.5Q299 E300 V306 K307Q299-S303 WeakPolarHBondContact O-CB 3.21Å; Q299-S303 PolarHBondContact O-N 3.06Å; Q299-S303 PolarHBondContact O-OG 2.88Å; E300-S303 PolarHBondContact O-N 3.45Å; S303-V306 PolarHBondContact O-N 3.4Å; S303-K307 WeakPolarHBondContact O-CB 3.24Å; S303-K307 VanDerWaalsContact O-CG 3.27Å; S303-K307 WeakPolarHBondContact O-CG 3.47Å; S303-K307 PolarHBondContact O-N 3.43Å
304R89.4Confident80.3Confident134 Ų13446.4 Ų46.451%0.50625%0.253SS..Hα-helixtrans-64.8-46.7174.7-168.3-177.2-58.8143.52.2110.4E300 I302 V306 K307 S308E300-R304 VanDerWaalsContact O-CB 3.25Å; E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 PolarHBondContact O-N 2.86Å; E300-R304 IonicContact OE1-CZ 3.75Å; E300-R304 IonicContact OE1-NH2 3.5Å; E300-R304 PolarHBondContact OE1-NH2 3.42Å; I302-R304 VanDerWaalsContact C-N 3.3Å; I302-R304 PolarHBondContact O-N 2.68Å; R304-V306 VanDerWaalsContact C-N 3.29Å; R304-V306 PolarHBondContact O-N 2.81Å; R304-K307 PolarHBondContact O-N 2.84Å; R304-S308 VanDerWaalsContact O-CB 3.28Å; R304-S308 WeakPolarHBondContact O-CB 3.5Å; R304-S308 PolarHBondContact O-N 2.98Å; R304-S308 PolarHBondContact O-OG 2.93Å
305L86.9Confident78.7Confident33 Ų3350.7 Ų50.717%0.17328%0.28CS..Hα-helixtrans-55.4-44176.5177.371.8000112F125 I140 V142 E301 I302 N309F125-L305 HydrophobicContact CB-CD2 3.41Å; F125-L305 VanDerWaalsContact CB-CD2 3.41Å; F125-L305 HydrophobicContact CD1-CD1 4.26Å; F125-L305 HydrophobicContact CD1-CD2 4.31Å; F125-L305 HydrophobicContact CG-CD2 3.87Å; I140-L305 HydrophobicContact CG2-CD2 3.74Å; V142-L305 HydrophobicContact CG1-CD2 4.44Å; E301-L305 VanDerWaalsContact O-CB 3.3Å; E301-L305 WeakPolarHBondContact O-CB 3.34Å; E301-L305 PolarHBondContact O-N 3.05Å; I302-L305 WeakPolarHBondContact O-CB 3.34Å; I302-L305 PolarHBondContact O-N 3.48Å; L305-N309 HydrophobicContact CD1-CB 4.38Å; L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.35Å
306V84.2Confident77.9Confident18 Ų1850.8 Ų50.811%0.10928%0.281CS..Hα-helixtrans-69.5-42178.91760000111.4I140 I302 S303 R304 V312 N328I140-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 HydrophobicContact CG2-CG2 4.48Å; I302-V306 WeakPolarHBondContact O-CG2 3.47Å; I302-V306 PolarHBondContact O-N 3.37Å; S303-V306 PolarHBondContact O-N 3.4Å; R304-V306 VanDerWaalsContact C-N 3.29Å; R304-V306 PolarHBondContact O-N 2.81Å; V306-V312 HydrophobicContact CG2-CG1 4.19Å; V306-N328 HydrophobicContact CG1-CB 4.33Å
307K80.1Confident77.3Confident132 Ų13252.6 Ų52.657%0.57429%0.292SS*.Hα-helixtrans-77.4-41.2-177.3-71.1178.8178.8-172.60114.6S303 R304S303-K307 WeakPolarHBondContact O-CB 3.24Å; S303-K307 VanDerWaalsContact O-CG 3.27Å; S303-K307 WeakPolarHBondContact O-CG 3.47Å; S303-K307 PolarHBondContact O-N 3.43Å; R304-K307 PolarHBondContact O-N 2.84Å
308S66.9Low77Confident89 Ų8950.6 Ų50.662%0.62228%0.279SS*.Hα-helixtrans-92.4-21.6-171.976.50000113.2R304 S310R304-S308 VanDerWaalsContact O-CB 3.28Å; R304-S308 WeakPolarHBondContact O-CB 3.5Å; R304-S308 PolarHBondContact O-N 2.98Å; R304-S308 PolarHBondContact O-OG 2.93Å; S308-S310 PolarHBondContact O-N 3.32Å
309N57.6Low76.7Confident26 Ų2650 Ų5014%0.13928%0.278CS..  trans-89.6109.7177.9-157.6-4.1000108.5Y97 L305 M311 V312 G313Y97-N309 PolarHBondContact OH-ND2 2.97Å; L305-N309 HydrophobicContact CD1-CB 4.38Å; L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.35Å; N309-M311 PolarHBondContact O-N 3.47Å; N309-V312 PolarHBondContact O-N 3.25Å; N309-G313 PolarHBondContact O-N 3.47Å
310S52.2Low76.4Confident58 Ų5856.1 Ų56.141%0.40630%0.304SS..THydrogen-bonded Turntrans-60.16.7177.263.50000114.5S308 G314S308-S310 PolarHBondContact O-N 3.32Å; S310-G314 VanDerWaalsContact C-CA 3.41Å; S310-G314 CarbonylContact O-C 3.52Å; S310-G314 WeakPolarHBondContact O-CA 3.32Å; S310-G314 PolarHBondContact O-N 2.91Å
311M53.3Low76.2Confident18 Ų1853.6 Ų53.69%0.08929%0.292CS..THydrogen-bonded Turntrans-121.5-16.8-168.7-59-72.6122.700113.3L92 R96 N309L92-M311 HydrophobicContact CD2-CE 4.21Å; L92-M311 HydrophobicContact CD2-SD 3.31Å; L92-M311 WeakPolarHBondContact CD2-SD 2.85Å; L92-M311 HydrophobicContact CG-SD 3.87Å; R96-M311 VanDerWaalsContact NH1-CE 3.33Å; R96-M311 PolarHBondContact NH1-SD 3.35Å; N309-M311 PolarHBondContact O-N 3.47Å
312V54.8Low76.2Confident5 Ų552.9 Ų52.93%0.0329%0.288CS..THydrogen-bonded Turntrans-105.5-31.2169.1-176.50000110F125 L138 I140 V306 N309F125-V312 HydrophobicContact CE2-CG2 4.04Å; F125-V312 HydrophobicContact CZ-CG2 4.2Å; L138-V312 HydrophobicContact CD2-CG1 4.24Å; I140-V312 HydrophobicContact CD1-CG1 3.9Å; I140-V312 HydrophobicContact CG1-CG1 3.93Å; V306-V312 HydrophobicContact CG2-CG1 4.19Å; N309-V312 PolarHBondContact O-N 3.25Å
313G48.4Very low76.1Confident24 Ų2455.5 Ų55.525%0.24732%0.317CS..SBendtrans-135.313177.100000115.5N309 N328N309-G313 PolarHBondContact O-N 3.47Å; G313-N328 WeakPolarHBondContact CA-OD1 3.37Å
314G55.7Low76Confident27 Ų2755.7 Ų55.728%0.27832%0.315SS..SBendtrans-107.2-172172.600000113.2S310 D316S310-G314 VanDerWaalsContact C-CA 3.41Å; S310-G314 CarbonylContact O-C 3.52Å; S310-G314 WeakPolarHBondContact O-CA 3.32Å; S310-G314 PolarHBondContact O-N 2.91Å; G314-D316 VanDerWaalsContact C-N 3.29Å; G314-D316 PolarHBondContact O-N 2.88Å
315P64.3Low76Confident114 Ų11455.3 Ų55.374%0.7433%0.327SS*.  trans-7381.9-173.529.9-33.7000111P317P315-P317 WeakPolarHBondContact O-CD 3.44Å
316D79.4Confident76Confident3 Ų355.5 Ų55.52%0.01633%0.33CS..  trans-71.2114.7166-174.8-34.3000108.2L92 G314 Y318 L319 K320L92-D316 WeakPolarHBondContact CB-OD2 3.42Å; L92-D316 HydrophobicContact CD2-CB 4.31Å; L92-D316 WeakPolarHBondContact CD2-OD2 3.35Å; G314-D316 VanDerWaalsContact C-N 3.29Å; G314-D316 PolarHBondContact O-N 2.88Å; D316-Y318 PolarHBondContact O-N 2.89Å; D316-Y318 WeakPolarHBondContact OD1-CA 3.45Å; D316-Y318 VanDerWaalsContact OD1-CB 3.27Å; D316-Y318 WeakPolarHBondContact OD1-CB 3.18Å; D316-Y318 WeakPolarHBondContact OD1-CD2 3.26Å; D316-Y318 PolarHBondContact OD1-N 2.99Å; D316-L319 HydrophobicContact CB-CB 3.96Å; D316-L319 HydrophobicContact CB-CD1 3.89Å; D316-L319 HydrophobicContact CB-CG 3.72Å; D316-L319 PolarHBondContact O-N 2.9Å; D316-L319 PolarHBondContact OD1-N 3.21Å; D316-K320 PolarHBondContact O-N 2.8Å
317P86.5Confident76.1Confident66 Ų6662.1 Ų62.143%0.42936%0.36SS..Hα-helixtrans-63.2-26.9-178.126.7-34.8000112.6P315 E321P315-P317 WeakPolarHBondContact O-CD 3.44Å; P317-E321 WeakPolarHBondContact O-CB 3.38Å; P317-E321 PolarHBondContact O-N 2.81Å; P317-E321 VanDerWaalsContact O-N 3.08Å
318Y90.1Very high76.4Confident35 Ų3559.1 Ų59.114%0.13735%0.35CS..Hα-helixtrans-75.4-42.5175.9-57.5-86.2000110.6Q14 H91 L92 M95 D316 K320 E321 F322Q14-Y318 HydrophobicContact CB-CD1 3.68Å; Q14-Y318 HydrophobicContact CB-CE1 3.85Å; Q14-Y318 HydrophobicContact CB-CG 4.5Å; H91-Y318 AromaticContact CD2-CD1 3.48Å; H91-Y318 VanDerWaalsContact CD2-CD1 3.48Å; H91-Y318 WeakPolarHBondContact CD2-CD1 3.23Å; H91-Y318 AromaticContact CD2-CD2 3.92Å; H91-Y318 AromaticContact CD2-CE1 3.29Å; H91-Y318 WeakPolarHBondContact CD2-CE1 3.41Å; H91-Y318 AromaticContact CD2-CE2 3.76Å; H91-Y318 AromaticContact CD2-CG 3.8Å; H91-Y318 AromaticContact CD2-CZ 3.45Å; H91-Y318 VanDerWaalsContact CD2-CZ 3.45Å; H91-Y318 AromaticContact NE2-CE1 3.49Å; H91-Y318 WeakPolarHBondContact NE2-CE1 3.19Å; H91-Y318 AromaticContact NE2-CZ 3.61Å; L92-Y318 HydrophobicContact CB-CD2 4.01Å; L92-Y318 HydrophobicContact CB-CE2 4.29Å; L92-Y318 HydrophobicContact CD1-CE2 4.21Å; M95-Y318 HydrophobicContact CE-CE2 3.86Å; D316-Y318 PolarHBondContact O-N 2.89Å; D316-Y318 WeakPolarHBondContact OD1-CA 3.45Å; D316-Y318 VanDerWaalsContact OD1-CB 3.27Å; D316-Y318 WeakPolarHBondContact OD1-CB 3.18Å; D316-Y318 WeakPolarHBondContact OD1-CD2 3.26Å; D316-Y318 PolarHBondContact OD1-N 2.99Å; Y318-K320 VanDerWaalsContact C-N 3.3Å; Y318-K320 PolarHBondContact O-N 2.87Å; Y318-E321 PolarHBondContact O-N 3.14Å; Y318-F322 VanDerWaalsContact O-CD2 3.27Å; Y318-F322 WeakPolarHBondContact O-CD2 3.31Å; Y318-F322 PolarHBondContact O-N 3.14Å
319L90Very high77.5Confident18 Ų1862.1 Ų62.19%0.09435%0.354CS..Hα-helixtrans-62.5-41.1174.1-63.2-174.7000111.6I88 T89 D316 F322 G323 I324 V326I88-L319 HydrophobicContact CG2-CD2 4.11Å; T89-L319 HydrophobicContact CG2-CD2 3.79Å; D316-L319 HydrophobicContact CB-CB 3.96Å; D316-L319 HydrophobicContact CB-CD1 3.89Å; D316-L319 HydrophobicContact CB-CG 3.72Å; D316-L319 PolarHBondContact O-N 2.9Å; D316-L319 PolarHBondContact OD1-N 3.21Å; L319-F322 CarbonylContact O-C 3.56Å; L319-F322 PolarHBondContact O-N 3.4Å; L319-G323 PolarHBondContact O-N 2.89Å; L319-G323 VanDerWaalsContact O-N 3.12Å; L319-I324 HydrophobicContact CB-CB 4.29Å; L319-I324 HydrophobicContact CD2-CB 4.2Å; L319-I324 HydrophobicContact CD2-CD1 4.14Å; L319-I324 HydrophobicContact CD2-CG2 4.16Å; L319-I324 PolarHBondContact O-N 2.9Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å
320K89.8Confident79.3Confident176 Ų17664.1 Ų64.177%0.76536%0.363SS*.Hα-helixtrans-61.1-44177.7-172.9-178.4178.4-176.90112.4D316 Y318 F322 G323D316-K320 PolarHBondContact O-N 2.8Å; Y318-K320 VanDerWaalsContact C-N 3.3Å; Y318-K320 PolarHBondContact O-N 2.87Å; K320-F322 PolarHBondContact O-N 2.89Å; K320-G323 PolarHBondContact O-N 3.28Å; K320-G323 VanDerWaalsContact O-N 3.09Å
321E92.1Very high81.4Confident53 Ų5364.6 Ų64.625%0.24836%0.364CS..Hα-helixtrans-55.4-40.5176.1176.275.3173.800111.9R13 Q14 A26 P317 Y318 G323R13-E321 WeakPolarHBondContact CA-OE1 3.35Å; Q14-E321 HydrophobicContact CB-CB 4.19Å; Q14-E321 HydrophobicContact CB-CG 4.16Å; Q14-E321 PolarHBondContact N-OE1 2.82Å; A26-E321 HydrophobicContact CB-CG 4.09Å; A26-E321 WeakPolarHBondContact CB-O 3.38Å; P317-E321 WeakPolarHBondContact O-CB 3.38Å; P317-E321 PolarHBondContact O-N 2.81Å; P317-E321 VanDerWaalsContact O-N 3.08Å; Y318-E321 PolarHBondContact O-N 3.14Å; E321-G323 VanDerWaalsContact C-N 3.34Å
322F92.9Very high83.4Confident38 Ų3872 Ų7217%0.16740%0.398CS..THydrogen-bonded Turntrans-89.85.1-179.7-73.6-97.5000113.7Y24 A26 I88 Y318 L319 K320 I324Y24-F322 WeakPolarHBondContact O-CZ 3.34Å; A26-F322 HydrophobicContact CB-CD1 4.07Å; A26-F322 HydrophobicContact CB-CE1 4.24Å; A26-F322 HydrophobicContact CB-CG 4.28Å; I88-F322 HydrophobicContact CD1-CD1 3.42Å; I88-F322 VanDerWaalsContact CD1-CD1 3.42Å; I88-F322 HydrophobicContact CD1-CD2 4.31Å; I88-F322 HydrophobicContact CD1-CE1 3.44Å; I88-F322 VanDerWaalsContact CD1-CE1 3.44Å; I88-F322 HydrophobicContact CD1-CE2 4.33Å; I88-F322 HydrophobicContact CD1-CG 3.87Å; I88-F322 HydrophobicContact CD1-CZ 3.9Å; I88-F322 HydrophobicContact CG1-CD1 4.23Å; I88-F322 HydrophobicContact CG1-CD2 4.31Å; I88-F322 HydrophobicContact CG1-CE1 4.02Å; I88-F322 HydrophobicContact CG1-CE2 4.1Å; I88-F322 HydrophobicContact CG1-CG 4.35Å; I88-F322 HydrophobicContact CG1-CZ 3.93Å; I88-F322 HydrophobicContact CG2-CB 4.31Å; I88-F322 HydrophobicContact CG2-CD2 3.81Å; I88-F322 HydrophobicContact CG2-CE2 4.23Å; I88-F322 HydrophobicContact CG2-CG 4.03Å; Y318-F322 VanDerWaalsContact O-CD2 3.27Å; Y318-F322 WeakPolarHBondContact O-CD2 3.31Å; Y318-F322 PolarHBondContact O-N 3.14Å; L319-F322 CarbonylContact O-C 3.56Å; L319-F322 PolarHBondContact O-N 3.4Å; K320-F322 PolarHBondContact O-N 2.89Å; F322-I324 HydrophobicContact CB-CD1 3.94Å; F322-I324 HydrophobicContact CB-CG1 4.01Å; F322-I324 PolarHBondContact O-N 2.83Å
323G91.9Very high85.3Confident63 Ų6374.2 Ų74.265%0.64941%0.41SS*.THydrogen-bonded Turntrans6523.3-178.900000114.4L319 K320 E321L319-G323 PolarHBondContact O-N 2.89Å; L319-G323 VanDerWaalsContact O-N 3.12Å; K320-G323 PolarHBondContact O-N 3.28Å; K320-G323 VanDerWaalsContact O-N 3.09Å; E321-G323 VanDerWaalsContact C-N 3.34Å
324I90.5Very high87.6Confident40 Ų4078.9 Ų78.921%0.20543%0.433CS..  trans-86127.4-178.1-60.4171.8000109.7L85 I88 L319 F322 V326L85-I324 HydrophobicContact CD2-CD1 3.66Å; L85-I324 HydrophobicContact CD2-CG1 4.36Å; I88-I324 HydrophobicContact CB-CD1 4.45Å; I88-I324 HydrophobicContact CG2-CD1 3.8Å; L319-I324 HydrophobicContact CB-CB 4.29Å; L319-I324 HydrophobicContact CD2-CB 4.2Å; L319-I324 HydrophobicContact CD2-CD1 4.14Å; L319-I324 HydrophobicContact CD2-CG2 4.16Å; L319-I324 PolarHBondContact O-N 2.9Å; F322-I324 HydrophobicContact CB-CD1 3.94Å; F322-I324 HydrophobicContact CB-CG1 4.01Å; F322-I324 PolarHBondContact O-N 2.83Å; I324-V326 HydrophobicContact CG2-CG2 4.46Å
325V88.3Confident89.5Confident125 Ų12579.1 Ų79.176%0.75844%0.436SS*.  trans-114.7131.8174.9-177.20000109.5
326V86.7Confident91.2Very high37 Ų3777.8 Ų77.822%0.22442%0.416CS..  trans-111.9127.4177.1-179.30000108.3L138 L319 I324L138-V326 HydrophobicContact CD2-CG1 3.75Å; L138-V326 HydrophobicContact CD2-CG2 4.17Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å; I324-V326 HydrophobicContact CG2-CG2 4.46Å
327H87.6Confident92.1Very high158 Ų15881.8 Ų81.873%0.73144%0.441SS*.  trans-73.6141173.4-71.2-87.2000110.8E329H327-E329 VanDerWaalsContact C-N 3.32Å; H327-E329 PolarHBondContact O-N 3.12Å
328N85.6Confident92.6Very high69 Ų6979.4 Ų79.437%0.36942%0.424SS..SBendtrans-90.15-174.9-69.8-16.9000114.1V306 G313V306-N328 HydrophobicContact CG1-CB 4.33Å; G313-N328 WeakPolarHBondContact CA-OD1 3.37Å
329E90.8Very high93Very high152 Ų15282.2 Ų82.271%0.7145%0.447SS*.SBendtrans-116.4149.1-179-60.3-166.3153.500110.1H327H327-E329 VanDerWaalsContact C-N 3.32Å; H327-E329 PolarHBondContact O-N 3.12Å
330M94.5Very high93.3Very high67 Ų6783 Ų8333%0.3346%0.456SS..PPolyproline II helixtrans-67.4140.1174.3-68.3-176.8177.400109.3Q299 I302 E332 F651Q299-M330 HydrophobicContact CG-CE 3.95Å; Q299-M330 HydrophobicContact CG-SD 3.84Å; Q299-M330 WeakPolarHBondContact O-CE 3.36Å; I302-M330 HydrophobicContact CB-CE 3.62Å; I302-M330 HydrophobicContact CD1-CE 4.37Å; I302-M330 HydrophobicContact CG2-CE 3.48Å; I302-M330 VanDerWaalsContact CG2-CE 3.48Å; M330-E332 PolarHBondContact O-N 2.85Å; M330-E332 VanDerWaalsContact O-N 3.17Å; M330-F651 HydrophobicContact CE-CD2 4.44Å; M330-F651 HydrophobicContact CE-CE2 4.03Å; M330-F651 HydrophobicContact SD-CD2 3.92Å; M330-F651 HydrophobicContact SD-CE2 4.07Å
331T95.4Very high93.6Very high69 Ų6974.9 Ų74.942%0.42342%0.421SS..PPolyproline II helixtrans-58.2119.4173.7-49.70000110.5M137 T674 I675M137-T331 HydrophobicContact CE-CG2 4.14Å; T331-T674 HydrophobicContact CG2-CG2 3.66Å; T331-I675 HydrophobicContact CG2-CG2 4.36Å
332E95.3Very high93.9Very high172 Ų17274.9 Ų74.980%0.80442%0.422SS*.PPolyproline II helixtrans-75.6138.7169.1-63.4-168.1160.100109.9M330M330-E332 PolarHBondContact O-N 2.85Å; M330-E332 VanDerWaalsContact O-N 3.17Å
333L95.2Very high94.1Very high53 Ų5373.1 Ų73.128%0.27741%0.414SS..  trans-151.8158.2178.364.185000110.1L650 V671 T674 I675L333-L650 HydrophobicContact CD2-CD2 4.44Å; L333-V671 HydrophobicContact CD1-CB 4.41Å; L333-V671 HydrophobicContact CD1-CG1 3.83Å; L333-V671 HydrophobicContact CD1-CG2 3.64Å; L333-V671 HydrophobicContact CD2-CG1 4.08Å; L333-T674 HydrophobicContact CB-CG2 4.27Å; L333-I675 HydrophobicContact CD2-CB 4.42Å; L333-I675 HydrophobicContact CD2-CD1 3.7Å; L333-I675 HydrophobicContact CD2-CG1 3.84Å; L333-I675 HydrophobicContact CD2-CG2 3.73Å
334T96.9Very high94.4Very high121 Ų12172.3 Ų72.374%0.74239%0.393SS*.  trans-100.2118.3174.2-59.30000109.5
335G96.6Very high94.7Very high33 Ų3370.4 Ų70.434%0.3438%0.384SS..  trans-94.1161.7169.700000111.7T670G335-T670 WeakPolarHBondContact CA-O 3.42Å
336R98.4Very high95Very high85 Ų8564.8 Ų64.832%0.32135%0.351SS..EExtended strand (participates in β ladder)trans-109.4138.4171.6-65.3178.8-68.4128.2-0.2109.7T669 T670 D672 D712R336-T669 CarbonylContact O-C 3.57Å; R336-T669 WeakPolarHBondContact O-CA 3.26Å; R336-T670 PolarHBondContact N-O 3.42Å; R336-T670 PolarHBondContact O-N 3.38Å; R336-D672 IonicContact CZ-OD2 3.94Å; R336-D672 IonicContact NH2-OD1 3.01Å; R336-D672 PolarHBondContact NH2-OD1 3.08Å; R336-D672 IonicContact NH2-OD2 3.39Å; R336-D672 PolarHBondContact NH2-OD2 3.3Å; R336-D712 IonicContact CZ-OD1 2.98Å; R336-D712 IonicContact NH1-OD1 3.88Å; R336-D712 PolarHBondContact NH1-OD1 2.89Å; R336-D712 IonicContact NH2-OD1 3.98Å
337V98.4Very high95.2Very high87 Ų8764.6 Ų64.653%0.52736%0.356SS..EExtended strand (participates in β ladder)trans-97.3106.1171.9-175.60000108.5P666V337-P666 HydrophobicContact CG1-CG 4.39Å; V337-P666 HydrophobicContact CG2-CG 3.72Å
338L98.1Very high95.1Very high17 Ų1768.6 Ų68.69%0.08937%0.365CS..PPolyproline II helixtrans-66.2144.4-179.3-62.8179000111.6A340 G668 T670 L685 Q715 Y719L338-A340 PolarHBondContact O-N 2.9Å; L338-G668 PolarHBondContact N-O 3.39Å; L338-T670 VanDerWaalsContact CD1-OG1 3.23Å; L338-T670 WeakPolarHBondContact CD1-OG1 3.13Å; L338-T670 WeakPolarHBondContact CG-OG1 3.36Å; L338-L685 HydrophobicContact CD1-CD1 4.27Å; L338-Q715 HydrophobicContact CD1-CB 4.05Å; L338-Y719 HydrophobicContact CB-CD1 3.72Å; L338-Y719 HydrophobicContact CB-CE1 4.06Å; L338-Y719 HydrophobicContact CD1-CD1 4.41Å; L338-Y719 HydrophobicContact CD1-CG 4.49Å; L338-Y719 WeakPolarHBondContact O-CE1 3.41Å
339P97.1Very high95.2Very high94 Ų9471.8 Ų71.861%0.6138%0.382SS*.PPolyproline II helixtrans-66.2133.2174.928.2-34.1000110.5L716P339-L716 HydrophobicContact CG-CD1 4.37Å
340A97.3Very high95.2Very high34 Ų3471.2 Ų71.228%0.28138%0.377SS..PPolyproline II helixtrans-72.1140.7173.700000110.4L338 P355 Y719L338-A340 PolarHBondContact O-N 2.9Å; A340-P355 HydrophobicContact CB-CB 3.88Å; A340-P355 HydrophobicContact CB-CG 4.11Å; A340-Y719 HydrophobicContact CB-CE1 4.28Å
341P97.1Very high95.1Very high5 Ų569.8 Ų69.83%0.03237%0.372CS..PPolyproline II helixtrans-68.3148.3175.629.9-35.7000111.2P355 L503 Q720 H723P341-P355 WeakPolarHBondContact O-CD 3.28Å; P341-P355 VanDerWaalsContact O-CG 3.31Å; P341-P355 WeakPolarHBondContact O-CG 3.04Å; P341-L503 HydrophobicContact CB-CD2 3.71Å; P341-L503 HydrophobicContact CG-CD2 3.73Å; P341-Q720 HydrophobicContact CB-CG 3.94Å; P341-Q720 HydrophobicContact CG-CB 4.38Å; P341-Q720 HydrophobicContact CG-CG 4.04Å; P341-H723 HydrophobicContact CG-CB 3.95Å
342M97.4Very high95.2Very high54 Ų5469.8 Ų69.827%0.26637%0.372SS..PPolyproline II helixtrans-75.4145.7163.7-64.6-164.9-70.200110.7V352 V504M342-V352 HydrophobicContact CB-CG1 3.67Å; M342-V352 HydrophobicContact CG-CG1 4.22Å; M342-V352 HydrophobicContact SD-CG1 3.9Å; M342-V504 HydrophobicContact CB-CB 4.17Å; M342-V504 HydrophobicContact CB-CG2 3.59Å; M342-V504 WeakPolarHBondContact O-CG2 3.48Å; M342-V504 PolarHBondContact O-N 3.05Å
343L97.8Very high95.2Very high0 Ų061.8 Ų61.80%034%0.335CS..EExtended strand (participates in β ladder)trans-116.6120.7-177.3-63.1165.7000110.2V352 A353 P355 W360 V502 L503 H723L343-V352 CarbonylContact O-C 3.53Å; L343-V352 WeakPolarHBondContact O-CA 3.19Å; L343-A353 HydrophobicContact CB-CB 4.36Å; L343-A353 PolarHBondContact N-O 3.46Å; L343-A353 PolarHBondContact O-N 3.33Å; L343-P355 HydrophobicContact CD1-CG 4.2Å; L343-W360 HydrophobicContact CD1-CD2 3.59Å; L343-W360 HydrophobicContact CD1-CE3 3.91Å; L343-W360 HydrophobicContact CD1-CG 4.27Å; L343-W360 HydrophobicContact CD1-CH2 3.59Å; L343-W360 HydrophobicContact CD1-CZ2 3.23Å; L343-W360 HydrophobicContact CD1-CZ3 3.9Å; L343-V502 CarbonylContact C-O 3.58Å; L343-V502 WeakPolarHBondContact CA-O 3.36Å; L343-L503 HydrophobicContact CD2-CD2 3.97Å; L343-H723 HydrophobicContact CD2-CB 4.19Å
344Q97.3Very high95.2Very high46 Ų4663.9 Ų63.922%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-87.5126.5178.6-171.2167.524.900110.8Y368 N501 V502 V504Q344-Y368 HydrophobicContact CG-CE2 4.47Å; Q344-N501 WeakPolarHBondContact O-CA 3.34Å; Q344-N501 WeakPolarHBondContact O-CB 3.4Å; Q344-V502 HydrophobicContact CB-CG2 3.92Å; Q344-V502 PolarHBondContact N-O 3.45Å; Q344-V502 PolarHBondContact O-N 3.48Å; Q344-V504 HydrophobicContact CB-CG2 4.1Å
345Y97.4Very high95.2Very high1 Ų158.7 Ų58.70%0.00432%0.319CS..  trans-101.2172.5171.5-80.9-92000110.3K350 T351 A353 W360 M362 K365 Q366 N500 N501Y345-K350 CarbonylContact O-C 3.52Å; Y345-K350 WeakPolarHBondContact O-CA 3.13Å; Y345-T351 WeakPolarHBondContact CB-O 3.48Å; Y345-T351 PolarHBondContact N-O 2.99Å; Y345-A353 HydrophobicContact CD2-CB 4.14Å; Y345-A353 HydrophobicContact CE2-CB 3.79Å; Y345-W360 AromaticContact CZ-NE1 3.94Å; Y345-W360 PolarHBondContact OH-NE1 3.16Å; Y345-M362 HydrophobicContact CD1-CE 4.38Å; Y345-M362 HydrophobicContact CE1-CE 3.85Å; Y345-M362 HydrophobicContact CE1-CG 3.95Å; Y345-M362 HydrophobicContact CE1-SD 4.14Å; Y345-K365 HydrophobicContact CD1-CB 3.96Å; Y345-K365 HydrophobicContact CD2-CB 4.31Å; Y345-K365 HydrophobicContact CD2-CD 3.76Å; Y345-K365 HydrophobicContact CE1-CB 4.4Å; Y345-K365 HydrophobicContact CE2-CD 3.89Å; Y345-K365 HydrophobicContact CG-CB 3.88Å; Y345-K365 HydrophobicContact CG-CD 4.22Å; Y345-Q366 VanDerWaalsContact CB-O 3.31Å; Y345-Q366 WeakPolarHBondContact CB-O 3.39Å; Y345-Q366 VanDerWaalsContact CD1-O 3.3Å; Y345-Q366 WeakPolarHBondContact CD1-O 3.3Å; Y345-N500 WeakPolarHBondContact CD1-O 3.45Å; Y345-N501 HydrophobicContact CD1-CB 4.16Å; Y345-N501 HydrophobicContact CD2-CB 4.15Å; Y345-N501 HydrophobicContact CE1-CB 3.95Å; Y345-N501 HydrophobicContact CE2-CB 3.92Å; Y345-N501 HydrophobicContact CG-CB 4.28Å; Y345-N501 PolarHBondContact OH-ND2 2.89Å
346G94.6Very high95.1Very high7 Ų762.8 Ų62.87%0.07233%0.333CS..  trans-104.5-142.1-175.800000113.1K350 Q366 F367G346-K350 WeakPolarHBondContact O-CA 3.48Å; G346-K350 PolarHBondContact O-N 3.07Å; G346-Q366 PolarHBondContact N-O 3.38Å; G346-F367 WeakPolarHBondContact CA-O 3.2Å
347G90.3Very high94.7Very high32 Ų3263.9 Ų63.933%0.3334%0.342SS..THydrogen-bonded Turntrans69.3-171.9-171.400000112.9N349 Q366G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 2.97Å; G347-Q366 VanDerWaalsContact CA-OE1 3.22Å
348R86.4Confident94.4Very high242 Ų24259.9 Ų59.991%0.91332%0.317SS*.THydrogen-bonded Turntrans-62.6-34.2179.5-67.1-176.3-179.6-178.9-1.3112.7
349N86.9Confident94.4Very high136 Ų13661.3 Ų61.373%0.72733%0.327SS*.THydrogen-bonded Turntrans-90.3-10.9-171.6-62.1-5.3000113.6G347 T351G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 2.97Å; N349-T351 HydrophobicContact CB-CG2 3.85Å; N349-T351 PolarHBondContact O-N 3.3Å; N349-T351 VanDerWaalsContact O-N 3.09Å
350K90.6Very high94.3Very high141 Ų14157.6 Ų57.661%0.61330%0.301SS*.THydrogen-bonded Turntrans40.349.9-179-63.3-175.1179.1179.70113.3Y345 G346Y345-K350 CarbonylContact O-C 3.52Å; Y345-K350 WeakPolarHBondContact O-CA 3.13Å; G346-K350 WeakPolarHBondContact O-CA 3.48Å; G346-K350 PolarHBondContact O-N 3.07Å
351T93.5Very high94.1Very high37 Ų3757.9 Ų57.923%0.22730%0.298CS..  trans-64.2151.9-169.7520000111.9Y345 N349 K365Y345-T351 WeakPolarHBondContact CB-O 3.48Å; Y345-T351 PolarHBondContact N-O 2.99Å; N349-T351 HydrophobicContact CB-CG2 3.85Å; N349-T351 PolarHBondContact O-N 3.3Å; N349-T351 VanDerWaalsContact O-N 3.09Å; T351-K365 WeakPolarHBondContact OG1-CG 3.43Å
352V95.9Very high93.9Very high68 Ų6858.6 Ų58.641%0.41230%0.301SS..EExtended strand (participates in β ladder)trans-109.6133.6175.7178.80000108.7M342 L343 V504M342-V352 HydrophobicContact CB-CG1 3.67Å; M342-V352 HydrophobicContact CG-CG1 4.22Å; M342-V352 HydrophobicContact SD-CG1 3.9Å; L343-V352 CarbonylContact O-C 3.53Å; L343-V352 WeakPolarHBondContact O-CA 3.19Å; V352-V504 HydrophobicContact CG1-CG2 4.2Å
353A96.4Very high93.6Very high4 Ų465.6 Ų65.63%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-102.1131.4171.400000109.7L343 Y345 W360 K365L343-A353 HydrophobicContact CB-CB 4.36Å; L343-A353 PolarHBondContact N-O 3.46Å; L343-A353 PolarHBondContact O-N 3.33Å; Y345-A353 HydrophobicContact CD2-CB 4.14Å; Y345-A353 HydrophobicContact CE2-CB 3.79Å; A353-W360 HydrophobicContact CB-CB 4.32Å; A353-W360 HydrophobicContact CB-CG 4.25Å; A353-K365 HydrophobicContact CB-CD 4.02Å
354T95.8Very high93.4Very high98 Ų9869.1 Ų69.160%0.60136%0.361SS*.  trans-103.4113.1171.7-52.70000108.2N356T354-N356 PolarHBondContact O-N 3.34Å
355P96.3Very high93.3Very high12 Ų1268.5 Ų68.58%0.07836%0.357CS..  trans-59.5132.3174.5-23.234.1000110.9A340 P341 L343 V359 W360A340-P355 HydrophobicContact CB-CB 3.88Å; A340-P355 HydrophobicContact CB-CG 4.11Å; P341-P355 WeakPolarHBondContact O-CD 3.28Å; P341-P355 VanDerWaalsContact O-CG 3.31Å; P341-P355 WeakPolarHBondContact O-CG 3.04Å; L343-P355 HydrophobicContact CD1-CG 4.2Å; P355-V359 WeakPolarHBondContact CA-O 3.3Å; P355-W360 HydrophobicContact CB-CE3 3.99Å; P355-W360 HydrophobicContact CG-CE3 3.9Å; P355-W360 HydrophobicContact CG-CZ3 4.35Å
356N93.6Very high93.3Very high119 Ų11972.1 Ų72.164%0.63637%0.374SS*.BIsolated β-bridgetrans-114.9123.8171.4-177.724.7000108.7T354 G358 V359T354-N356 PolarHBondContact O-N 3.34Å; N356-G358 PolarHBondContact O-N 2.97Å; N356-G358 VanDerWaalsContact O-N 3.13Å; N356-V359 PolarHBondContact N-O 3.35Å; N356-V359 PolarHBondContact O-N 3.23Å
357Q91.1Very high93.5Very high108 Ų10872 Ų7251%0.50537%0.372SS..THydrogen-bonded Turntrans46.942.5-175.5-62.4-177.6-19.500112.6V359 V659 A689Q357-V359 PolarHBondContact O-N 2.95Å; Q357-V659 HydrophobicContact CB-CG1 4.42Å; Q357-V659 HydrophobicContact CG-CG1 4.36Å; Q357-A689 VanDerWaalsContact O-CB 3.3Å; Q357-A689 WeakPolarHBondContact O-CB 3Å
358G92.7Very high93.9Very high2 Ų274.5 Ų74.52%0.02137%0.371CS..THydrogen-bonded Turntrans74.815178.900000115.7N356 R730 S731N356-G358 PolarHBondContact O-N 2.97Å; N356-G358 VanDerWaalsContact O-N 3.13Å; G358-R730 WeakPolarHBondContact O-CA 3.43Å; G358-S731 PolarHBondContact O-N 3.35Å
359V96.3Very high94.4Very high48 Ų4864.9 Ų64.929%0.29134%0.344SS..BIsolated β-bridgetrans-133143.9-179.1-173.40000111.1P355 N356 Q357 A689 R730P355-V359 WeakPolarHBondContact CA-O 3.3Å; N356-V359 PolarHBondContact N-O 3.35Å; N356-V359 PolarHBondContact O-N 3.23Å; Q357-V359 PolarHBondContact O-N 2.95Å; V359-A689 HydrophobicContact CG2-CB 4.47Å; V359-R730 HydrophobicContact CG1-CG 4.38Å; V359-R730 HydrophobicContact CG2-CG 4.48Å; V359-R730 VanDerWaalsContact CG2-CZ 3.4Å; V359-R730 VanDerWaalsContact CG2-NH1 3.34Å
360W96.7Very high94.9Very high16 Ų1659.9 Ų59.96%0.06132%0.324CS..  trans-142.1179.2164.966102.2000109.4L343 Y345 A353 P355 H723 T729 R730L343-W360 HydrophobicContact CD1-CD2 3.59Å; L343-W360 HydrophobicContact CD1-CE3 3.91Å; L343-W360 HydrophobicContact CD1-CG 4.27Å; L343-W360 HydrophobicContact CD1-CH2 3.59Å; L343-W360 HydrophobicContact CD1-CZ2 3.23Å; L343-W360 HydrophobicContact CD1-CZ3 3.9Å; Y345-W360 AromaticContact CZ-NE1 3.94Å; Y345-W360 PolarHBondContact OH-NE1 3.16Å; A353-W360 HydrophobicContact CB-CB 4.32Å; A353-W360 HydrophobicContact CB-CG 4.25Å; P355-W360 HydrophobicContact CB-CE3 3.99Å; P355-W360 HydrophobicContact CG-CE3 3.9Å; P355-W360 HydrophobicContact CG-CZ3 4.35Å; W360-H723 HydrophobicContact CH2-CB 4.27Å; W360-H723 AromaticContact CZ3-CD2 3.7Å; W360-T729 VanDerWaalsContact CE2-CA 3.41Å; W360-T729 VanDerWaalsContact CZ2-CA 3.48Å; W360-T729 PolarHBondContact N-O 3.36Å; W360-T729 WeakPolarHBondContact O-CB 3.47Å; W360-T729 PolarHBondContact O-OG1 3.24Å; W360-R730 VanDerWaalsContact CH2-C 3.42Å; W360-R730 VanDerWaalsContact CH2-N 3.31Å; W360-R730 VanDerWaalsContact CZ3-CA 3.45Å
361D92.4Very high95.3Very high40 Ų4055.1 Ų55.121%0.21431%0.305CS..  trans-136171.2174.97043.6000112.3R363 K365D361-R363 WeakPolarHBondContact OD1-CB 3.04Å; D361-R363 PolarHBondContact OD1-N 3.47Å; D361-R363 IonicContact OD1-NE 3.07Å; D361-R363 IonicContact OD2-CZ 3.67Å; D361-R363 IonicContact OD2-NE 3.65Å; D361-R363 PolarHBondContact OD2-NE 3.14Å; D361-R363 IonicContact OD2-NH2 3.19Å; D361-R363 PolarHBondContact OD2-NH2 2.75Å; D361-K365 WeakPolarHBondContact O-CD 3.34Å; D361-K365 WeakPolarHBondContact O-CE 2.89Å; D361-K365 PolarHBondContact O-NZ 2.98Å; D361-K365 IonicContact OD1-NZ 3.95Å; D361-K365 PolarHBondContact OD1-NZ 2.89Å
362M92.4Very high95.5Very high19 Ų1957 Ų579%0.09431%0.312CS..  trans-96.39.6177.4-71.2-163.961.600114.4Y345 G364 K365 F367 A406 L490 T729Y345-M362 HydrophobicContact CD1-CE 4.38Å; Y345-M362 HydrophobicContact CE1-CE 3.85Å; Y345-M362 HydrophobicContact CE1-CG 3.95Å; Y345-M362 HydrophobicContact CE1-SD 4.14Å; M362-G364 PolarHBondContact O-N 2.92Å; M362-K365 PolarHBondContact O-N 3Å; M362-F367 HydrophobicContact CE-CD1 3.6Å; M362-F367 HydrophobicContact CE-CE1 3.46Å; M362-F367 VanDerWaalsContact CE-CE1 3.46Å; M362-F367 HydrophobicContact CE-CG 4.28Å; M362-F367 HydrophobicContact CE-CZ 3.98Å; M362-F367 HydrophobicContact SD-CD1 4.3Å; M362-F367 HydrophobicContact SD-CE1 3.67Å; M362-F367 HydrophobicContact SD-CZ 4.21Å; M362-A406 HydrophobicContact CE-CB 3.97Å; M362-L490 HydrophobicContact SD-CD2 3.33Å; M362-L490 WeakPolarHBondContact SD-CD2 3.48Å; M362-L490 HydrophobicContact SD-CG 4.47Å; M362-T729 HydrophobicContact CG-CG2 3.74Å
363R92.1Very high95.6Very high202 Ų20253.8 Ų53.876%0.76229%0.292SS*.THydrogen-bonded Turntrans-62.9125.7-179.9-68.2-179-70.6178-1.8109.3D361 K365D361-R363 WeakPolarHBondContact OD1-CB 3.04Å; D361-R363 PolarHBondContact OD1-N 3.47Å; D361-R363 IonicContact OD1-NE 3.07Å; D361-R363 IonicContact OD2-CZ 3.67Å; D361-R363 IonicContact OD2-NE 3.65Å; D361-R363 PolarHBondContact OD2-NE 3.14Å; D361-R363 IonicContact OD2-NH2 3.19Å; D361-R363 PolarHBondContact OD2-NH2 2.75Å; R363-K365 VanDerWaalsContact C-N 3.28Å; R363-K365 WeakPolarHBondContact O-CG 3.22Å; R363-K365 PolarHBondContact O-N 3.03Å; R363-K365 PolarHBondContact O-NZ 3.3Å
364G92Very high95.7Very high74 Ų7459.2 Ų59.276%0.76332%0.315SS*.THydrogen-bonded Turntrans69.616.9-175.700000115M362M362-G364 PolarHBondContact O-N 2.92Å
365K96Very high95.8Very high32 Ų3256.5 Ų56.514%0.13930%0.298CS..  trans-125.5142.6-176.7-44.1-174.9-172.463.50110.8Y345 T351 A353 D361 M362 R363Y345-K365 HydrophobicContact CD1-CB 3.96Å; Y345-K365 HydrophobicContact CD2-CB 4.31Å; Y345-K365 HydrophobicContact CD2-CD 3.76Å; Y345-K365 HydrophobicContact CE1-CB 4.4Å; Y345-K365 HydrophobicContact CE2-CD 3.89Å; Y345-K365 HydrophobicContact CG-CB 3.88Å; Y345-K365 HydrophobicContact CG-CD 4.22Å; T351-K365 WeakPolarHBondContact OG1-CG 3.43Å; A353-K365 HydrophobicContact CB-CD 4.02Å; D361-K365 WeakPolarHBondContact O-CD 3.34Å; D361-K365 WeakPolarHBondContact O-CE 2.89Å; D361-K365 PolarHBondContact O-NZ 2.98Å; D361-K365 IonicContact OD1-NZ 3.95Å; D361-K365 PolarHBondContact OD1-NZ 2.89Å; M362-K365 PolarHBondContact O-N 3Å; R363-K365 VanDerWaalsContact C-N 3.28Å; R363-K365 WeakPolarHBondContact O-CG 3.22Å; R363-K365 PolarHBondContact O-N 3.03Å; R363-K365 PolarHBondContact O-NZ 3.3Å
366Q98.1Very high95.9Very high78 Ų7856 Ų5636%0.36429%0.294SS..  trans-114.5149.1176.4-70.5-179-15.900110.1Y345 G346 G347 D405 A406Y345-Q366 VanDerWaalsContact CB-O 3.31Å; Y345-Q366 WeakPolarHBondContact CB-O 3.39Å; Y345-Q366 VanDerWaalsContact CD1-O 3.3Å; Y345-Q366 WeakPolarHBondContact CD1-O 3.3Å; G346-Q366 PolarHBondContact N-O 3.38Å; G347-Q366 VanDerWaalsContact CA-OE1 3.22Å; Q366-D405 WeakPolarHBondContact CG-O 3.44Å; Q366-A406 CarbonylContact C-O 3.57Å; Q366-A406 WeakPolarHBondContact CA-O 3.16Å
367F98.4Very high96.2Very high4 Ų450.3 Ų50.32%0.01826%0.264CS..  trans-51.5144.2178.2-67.8-51.6000112.6G346 M362 A369 A406 M408 C489 L490 N493 N500G346-F367 WeakPolarHBondContact CA-O 3.2Å; M362-F367 HydrophobicContact CE-CD1 3.6Å; M362-F367 HydrophobicContact CE-CE1 3.46Å; M362-F367 VanDerWaalsContact CE-CE1 3.46Å; M362-F367 HydrophobicContact CE-CG 4.28Å; M362-F367 HydrophobicContact CE-CZ 3.98Å; M362-F367 HydrophobicContact SD-CD1 4.3Å; M362-F367 HydrophobicContact SD-CE1 3.67Å; M362-F367 HydrophobicContact SD-CZ 4.21Å; F367-A369 VanDerWaalsContact C-N 3.31Å; F367-A369 PolarHBondContact O-N 2.91Å; F367-A406 HydrophobicContact CD2-CB 4.23Å; F367-A406 WeakPolarHBondContact CD2-O 3.22Å; F367-A406 HydrophobicContact CE2-CB 3.81Å; F367-A406 WeakPolarHBondContact CG-O 3.41Å; F367-A406 HydrophobicContact CZ-CB 4.23Å; F367-A406 PolarHBondContact N-O 2.88Å; F367-M408 HydrophobicContact CD2-CB 3.79Å; F367-M408 HydrophobicContact CE2-CB 3.8Å; F367-M408 HydrophobicContact CE2-SD 4.41Å; F367-C489 HydrophobicContact CE2-CB 4.32Å; F367-C489 HydrophobicContact CZ-CB 4.23Å; F367-L490 HydrophobicContact CE1-CD2 3.54Å; F367-L490 HydrophobicContact CZ-CD2 3.97Å; F367-N493 HydrophobicContact CD2-CB 4.1Å; F367-N493 HydrophobicContact CE2-CB 3.83Å; F367-N493 HydrophobicContact CZ-CB 4.11Å; F367-N500 WeakPolarHBondContact CA-O 3.37Å; F367-N500 VanDerWaalsContact CD1-CA 3.48Å; F367-N500 HydrophobicContact CD1-CB 3.77Å; F367-N500 HydrophobicContact CE1-CB 3.88Å; F367-N500 WeakPolarHBondContact CE1-OD1 3.37Å
368Y97.9Very high96.5Very high84 Ų8445.2 Ų45.233%0.32924%0.24SC..THydrogen-bonded Turntrans-55.2-47.9176.4-174.8-92.4000111.7Q344 I499 N500 V502 H546Q344-Y368 HydrophobicContact CG-CE2 4.47Å; Y368-I499 HydrophobicContact CD1-CB 4.12Å; Y368-I499 HydrophobicContact CD1-CD1 4.38Å; Y368-I499 HydrophobicContact CD1-CG2 3.77Å; Y368-I499 HydrophobicContact CG-CG2 4.16Å; Y368-I499 PolarHBondContact N-O 2.69Å; Y368-I499 VanDerWaalsContact N-O 3.15Å; Y368-N500 PolarHBondContact N-O 3.19Å; Y368-V502 HydrophobicContact CD1-CG1 3.92Å; Y368-V502 HydrophobicContact CD2-CG1 4.17Å; Y368-V502 HydrophobicContact CD2-CG2 3.72Å; Y368-V502 HydrophobicContact CE1-CG1 4.12Å; Y368-V502 HydrophobicContact CE2-CG1 4.38Å; Y368-V502 HydrophobicContact CE2-CG2 3.6Å; Y368-V502 HydrophobicContact CG-CG1 3.93Å; Y368-V502 HydrophobicContact CG-CG2 4.33Å; Y368-H546 AromaticContact CE1-NE2 3.98Å; Y368-H546 AromaticContact CZ-NE2 3.91Å; Y368-H546 PolarHBondContact OH-NE2 3.46Å
369A97.4Very high96.8Very high40 Ų4045.1 Ų45.133%0.33124%0.239SC..BIsolated β-bridgetrans-13297.8165.700000108.6F367 N493 G498 I499F367-A369 VanDerWaalsContact C-N 3.31Å; F367-A369 PolarHBondContact O-N 2.91Å; A369-N493 PolarHBondContact O-ND2 3.24Å; A369-N493 VanDerWaalsContact O-ND2 3.14Å; A369-G498 CarbonylContact O-C 3.58Å; A369-G498 VanDerWaalsContact O-CA 3.26Å; A369-G498 WeakPolarHBondContact O-CA 3.04Å; A369-I499 HydrophobicContact CB-CB 3.94Å; A369-I499 HydrophobicContact CB-CG1 4.29Å; A369-I499 PolarHBondContact N-O 2.79Å; A369-I499 PolarHBondContact O-N 3.42Å
370G97.2Very high96.9Very high31 Ų3142.8 Ų42.832%0.3223%0.225SC..PPolyproline II helixtrans-86135.217600000111.9G407 N493G370-G407 WeakPolarHBondContact CA-O 3.31Å; G370-N493 WeakPolarHBondContact CA-OD1 3.24Å
371I98.1Very high97Very high41 Ų4142.6 Ų42.621%0.2123%0.225CC..PPolyproline II helixtrans-83.8133.8177.1-57.9-61.1000110.6M408 N493 L496I371-M408 WeakPolarHBondContact O-CA 3.09Å; I371-M408 WeakPolarHBondContact O-CG 3.24Å; I371-N493 PolarHBondContact N-OD1 3.25Å; I371-L496 HydrophobicContact CB-CB 4.21Å; I371-L496 HydrophobicContact CG1-CB 4Å; I371-L496 HydrophobicContact CG2-CB 3.97Å; I371-L496 HydrophobicContact CG2-CD1 4.22Å
372E98.3Very high97.2Very high78 Ų7840.8 Ų40.836%0.36422%0.215SC..PPolyproline II helixtrans-80.9122.3168-177-179.5-143.300109.8K374 P409 Q411 Q441E372-K374 HydrophobicContact CG-CG 4.21Å; E372-K374 WeakPolarHBondContact OE2-CE 3.09Å; E372-K374 IonicContact OE2-NZ 3.9Å; E372-K374 PolarHBondContact OE2-NZ 2.57Å; E372-K374 VanDerWaalsContact OE2-NZ 3.1Å; E372-P409 HydrophobicContact CB-CG 4.33Å; E372-P409 HydrophobicContact CG-CG 4.23Å; E372-Q411 HydrophobicContact CG-CG 4.44Å; E372-Q411 PolarHBondContact OE1-NE2 3.47Å; E372-Q441 PolarHBondContact O-NE2 2.91Å
373I98.6Very high97.3Very high0 Ų042.7 Ų42.70%023%0.229CC..BIsolated β-bridgetrans-104.1108.1-178.2-57.4175.1000108.6W376 M408 P409 I410 Q411 I492 L496I373-W376 HydrophobicContact CG2-CB 3.8Å; I373-W376 HydrophobicContact CG2-CG 4Å; I373-M408 HydrophobicContact CD1-CE 3.98Å; I373-M408 HydrophobicContact CD1-CG 4.13Å; I373-M408 HydrophobicContact CD1-SD 3.97Å; I373-P409 PolarHBondContact N-O 2.94Å; I373-I410 HydrophobicContact CB-CG1 4Å; I373-I410 HydrophobicContact CD1-CD1 4.41Å; I373-I410 HydrophobicContact CD1-CG1 3.8Å; I373-I410 HydrophobicContact CG1-CG1 4.36Å; I373-I410 HydrophobicContact CG2-CG1 4.42Å; I373-Q411 PolarHBondContact O-N 2.78Å; I373-I492 HydrophobicContact CD1-CG2 3.6Å; I373-L496 HydrophobicContact CD1-CD1 3.59Å; I373-L496 HydrophobicContact CG1-CD1 3.65Å
374K98.1Very high97.3Very high118 Ų11838.3 Ų38.351%0.51322%0.217SC..  trans-98.4-47.7-177-61.4-178.6-179.4175.20112.2E372E372-K374 HydrophobicContact CG-CG 4.21Å; E372-K374 WeakPolarHBondContact OE2-CE 3.09Å; E372-K374 IonicContact OE2-NZ 3.9Å; E372-K374 PolarHBondContact OE2-NZ 2.57Å; E372-K374 VanDerWaalsContact OE2-NZ 3.1Å
375V98.4Very high97.4Very high40 Ų4044.6 Ų44.624%0.24222%0.224CC..SBendtrans-120.3114-175.7-171.30000109C415 L440 Q441V375-C415 HydrophobicContact CG1-CB 4.41Å; V375-L440 HydrophobicContact CG1-CB 4.29Å; V375-L440 HydrophobicContact CG1-CD1 4.16Å; V375-Q441 WeakPolarHBondContact O-CB 3.32Å; V375-Q441 PolarHBondContact O-N 2.79Å
376W98.7Very high97.3Very high1 Ų147.5 Ų47.50%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-150.4154.7-176.869.4-72.1000111.2I373 V378 T396 I410 P414 C415 L442 V444I373-W376 HydrophobicContact CG2-CB 3.8Å; I373-W376 HydrophobicContact CG2-CG 4Å; W376-V378 HydrophobicContact CE3-CG2 4.13Å; W376-V378 HydrophobicContact CH2-CG2 4.03Å; W376-V378 HydrophobicContact CZ3-CG2 3.42Å; W376-V378 VanDerWaalsContact CZ3-CG2 3.42Å; W376-T396 HydrophobicContact CH2-CG2 3.45Å; W376-T396 VanDerWaalsContact CH2-CG2 3.45Å; W376-T396 HydrophobicContact CZ2-CG2 3.69Å; W376-I410 HydrophobicContact CD2-CG2 4.19Å; W376-I410 VanDerWaalsContact CE2-CG2 3.47Å; W376-I410 HydrophobicContact CG-CG2 4.42Å; W376-I410 HydrophobicContact CZ2-CG2 3.8Å; W376-I410 VanDerWaalsContact NE1-CG2 3.27Å; W376-P414 HydrophobicContact CD2-CB 3.97Å; W376-P414 HydrophobicContact CE3-CB 4.06Å; W376-P414 HydrophobicContact CH2-CB 3.96Å; W376-P414 HydrophobicContact CH2-CG 4.05Å; W376-P414 HydrophobicContact CZ2-CB 3.87Å; W376-P414 VanDerWaalsContact CZ2-CD 3.5Å; W376-P414 HydrophobicContact CZ2-CG 4.08Å; W376-P414 HydrophobicContact CZ3-CB 4.07Å; W376-P414 CarbonylContact O-C 3.52Å; W376-P414 VanDerWaalsContact O-CA 3.23Å; W376-P414 WeakPolarHBondContact O-CA 3.27Å; W376-P414 WeakPolarHBondContact O-CB 3.45Å; W376-C415 PolarHBondContact O-N 2.87Å; W376-C415 PolarHBondContact O-SG 3.1Å; W376-L442 CarbonylContact C-O 3.52Å; W376-L442 VanDerWaalsContact CA-O 3.28Å; W376-L442 WeakPolarHBondContact CA-O 3.47Å; W376-L442 HydrophobicContact CB-CB 4.22Å; W376-V444 HydrophobicContact CE3-CG2 4.09Å; W376-V444 HydrophobicContact CZ3-CG2 4.11Å
377A98.7Very high97.1Very high0 Ų043.8 Ų43.80%022%0.221CC..EExtended strand (participates in β ladder)trans-128.2157.5-175.300000112.2F416 L433 L440 L442 V444A377-F416 CarbonylContact C-O 3.6Å; A377-F416 WeakPolarHBondContact CA-O 3.47Å; A377-F416 HydrophobicContact CB-CB 3.96Å; A377-F416 HydrophobicContact CB-CD1 4.41Å; A377-L433 HydrophobicContact CB-CD1 4.24Å; A377-L433 HydrophobicContact CB-CD2 4.03Å; A377-L440 HydrophobicContact CB-CD1 4.18Å; A377-L442 PolarHBondContact N-O 2.98Å; A377-V444 PolarHBondContact O-N 2.85Å
378V98.7Very high97Very high1 Ų150 Ų501%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-120125.2172.5179.90000109.6W376 P414 F416 C417 K418 V444 I446W376-V378 HydrophobicContact CE3-CG2 4.13Å; W376-V378 HydrophobicContact CH2-CG2 4.03Å; W376-V378 HydrophobicContact CZ3-CG2 3.42Å; W376-V378 VanDerWaalsContact CZ3-CG2 3.42Å; V378-P414 HydrophobicContact CG2-CB 4.02Å; V378-P414 HydrophobicContact CG2-CG 4.03Å; V378-F416 PolarHBondContact N-O 2.87Å; V378-C417 HydrophobicContact CB-CB 4.3Å; V378-C417 WeakPolarHBondContact O-CA 3.39Å; V378-K418 PolarHBondContact O-N 3.13Å; V378-V444 CarbonylContact C-O 3.58Å; V378-V444 WeakPolarHBondContact CA-O 3.49Å; V378-V444 HydrophobicContact CG2-CB 4.41Å; V378-I446 HydrophobicContact CG1-CD1 3.96Å
379A98.5Very high96.9Very high0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-118.2113.1173.200000109.7F381 M429 I443 V444 V445 I446A379-F381 HydrophobicContact CB-CE2 3.94Å; A379-M429 HydrophobicContact CB-SD 3.63Å; A379-I443 HydrophobicContact CB-CG2 4.24Å; A379-V444 PolarHBondContact N-O 3.17Å; A379-V445 CarbonylContact O-C 3.44Å; A379-V445 WeakPolarHBondContact O-CA 3.35Å; A379-I446 PolarHBondContact O-N 3.4Å
380C98.4Very high96.8Very high0 Ų054 Ų540%026%0.261CS..EExtended strand (participates in β ladder)trans-101.8108.6-176.5-170.70000111.8L392 K418 Y419 A420 I446C380-L392 HydrophobicContact CB-CD1 4.35Å; C380-K418 PolarHBondContact N-O 3.21Å; C380-Y419 HydrophobicContact CB-CD1 3.72Å; C380-Y419 HydrophobicContact CB-CE1 3.96Å; C380-Y419 HydrophobicContact CB-CG 4.44Å; C380-Y419 CarbonylContact O-C 3.52Å; C380-Y419 VanDerWaalsContact O-CA 3.22Å; C380-Y419 WeakPolarHBondContact O-CA 3.34Å; C380-A420 PolarHBondContact O-N 2.84Å; C380-I446 HydrophobicContact CB-CB 4.38Å
381F97.9Very high96.8Very high11 Ų1154.2 Ų54.25%0.04826%0.255CS..  trans-94.82.5174.9-68.9-100.6000113.1A379 A420 G422 S425 V426 V445 I446 L447 V453A379-F381 HydrophobicContact CB-CE2 3.94Å; F381-A420 WeakPolarHBondContact CA-O 3.47Å; F381-A420 HydrophobicContact CD1-CB 3.99Å; F381-A420 HydrophobicContact CE1-CB 3.71Å; F381-A420 HydrophobicContact CE2-CB 4.47Å; F381-A420 HydrophobicContact CZ-CB 3.94Å; F381-G422 WeakPolarHBondContact CE1-O 3.17Å; F381-S425 VanDerWaalsContact CE1-OG 3.31Å; F381-S425 WeakPolarHBondContact CE1-OG 3.39Å; F381-V426 HydrophobicContact CE1-CG2 3.67Å; F381-V426 HydrophobicContact CE2-CG2 4.47Å; F381-V426 HydrophobicContact CZ-CB 4.39Å; F381-V426 HydrophobicContact CZ-CG2 3.55Å; F381-V445 HydrophobicContact CD2-CG1 3.66Å; F381-V445 HydrophobicContact CE2-CG1 3.86Å; F381-I446 WeakPolarHBondContact CA-O 3.19Å; F381-I446 WeakPolarHBondContact CB-O 3.4Å; F381-I446 PolarHBondContact N-O 3.36Å; F381-L447 HydrophobicContact CB-CD2 4.2Å; F381-V453 HydrophobicContact CB-CG1 4.23Å; F381-V453 HydrophobicContact CD1-CG1 3.62Å; F381-V453 HydrophobicContact CD1-CG2 4.22Å; F381-V453 HydrophobicContact CD2-CG1 4.13Å; F381-V453 HydrophobicContact CE1-CG1 3.91Å; F381-V453 HydrophobicContact CE2-CG1 4.41Å; F381-V453 HydrophobicContact CG-CG1 3.74Å; F381-V453 HydrophobicContact CZ-CG1 4.32Å
382A96.5Very high96.7Very high2 Ų252.6 Ų52.62%0.01725%0.247CC..SBendtrans-81.4142.6169.900000109.7Q384 C387 I446 P448 V474A382-Q384 PolarHBondContact O-N 3.35Å; A382-C387 HydrophobicContact CB-CB 4Å; A382-I446 HydrophobicContact CB-CG2 4.29Å; A382-P448 HydrophobicContact CB-CB 4.37Å; A382-V474 HydrophobicContact CB-CB 3.92Å; A382-V474 HydrophobicContact CB-CG2 3.77Å
383P94.7Very high96.6Very high59 Ų5955.2 Ų55.238%0.38326%0.257SS..  trans-55.6137.3176-24.834000111.4K385 Q386 C387P383-K385 PolarHBondContact O-N 3.45Å; P383-K385 VanDerWaalsContact O-N 3.12Å; P383-Q386 WeakPolarHBondContact O-CA 3.38Å; P383-Q386 WeakPolarHBondContact O-CB 3.33Å; P383-Q386 PolarHBondContact O-N 3.02Å; P383-C387 PolarHBondContact O-N 3.43Å
384Q93.6Very high96.6Very high110 Ų11057.6 Ų57.651%0.51427%0.274SS..THydrogen-bonded Turntrans-56.8-31.8-178.4-173.6177.510.500112.9A382 Q386 C387 R388 Y419A382-Q384 PolarHBondContact O-N 3.35Å; Q384-Q386 VanDerWaalsContact C-N 3.27Å; Q384-Q386 PolarHBondContact O-N 2.78Å; Q384-C387 CarbonylContact O-C 3.49Å; Q384-C387 PolarHBondContact O-N 2.84Å; Q384-R388 WeakPolarHBondContact O-CA 3.47Å; Q384-R388 PolarHBondContact O-N 3.45Å; Q384-Y419 HydrophobicContact CB-CD1 4.21Å; Q384-Y419 HydrophobicContact CB-CE1 4.01Å; Q384-Y419 HydrophobicContact CB-CE2 4.46Å; Q384-Y419 HydrophobicContact CG-CE1 4.16Å; Q384-Y419 HydrophobicContact CG-CE2 3.97Å
385K92.9Very high96.6Very high207 Ų20752 Ų5290%0.925%0.25SC*.THydrogen-bonded Turntrans-61.6-34173.8-67.2-175178.4-178.10112.9P383P383-K385 PolarHBondContact O-N 3.45Å; P383-K385 VanDerWaalsContact O-N 3.12Å
386Q93.1Very high96.5Very high93 Ų9350.4 Ų50.444%0.43524%0.24SC..THydrogen-bonded Turntrans-87.1-34.2179.4-170.9-176.819.100112P383 Q384 V474P383-Q386 WeakPolarHBondContact O-CA 3.38Å; P383-Q386 WeakPolarHBondContact O-CB 3.33Å; P383-Q386 PolarHBondContact O-N 3.02Å; Q384-Q386 VanDerWaalsContact C-N 3.27Å; Q384-Q386 PolarHBondContact O-N 2.78Å; Q386-V474 HydrophobicContact CG-CG2 4.15Å
387C95.5Very high96.5Very high0 Ų053.2 Ų53.20%026%0.255CS..SBendtrans-129.690-179.8-167.10000108.9A382 P383 Q384 L392 Y419 V474A382-C387 HydrophobicContact CB-CB 4Å; P383-C387 PolarHBondContact O-N 3.43Å; Q384-C387 CarbonylContact O-C 3.49Å; Q384-C387 PolarHBondContact O-N 2.84Å; C387-L392 VanDerWaalsContact SG-CD2 3.54Å; C387-Y419 WeakPolarHBondContact O-CE1 3.38Å; C387-Y419 PolarHBondContact O-OH 3.35Å; C387-V474 HydrophobicContact CB-CG2 3.65Å
388R96.1Very high96.5Very high134 Ų13456.5 Ų56.551%0.50627%0.27SS..  trans-75.4165-179.9-57.8-175.6-50.2-151.6-1.8111.6Q384 D390 L391 L392 Y419Q384-R388 WeakPolarHBondContact O-CA 3.47Å; Q384-R388 PolarHBondContact O-N 3.45Å; R388-D390 VanDerWaalsContact C-N 3.35Å; R388-D390 WeakPolarHBondContact CB-OD1 3.32Å; R388-D390 IonicContact CZ-OD1 2.68Å; R388-D390 IonicContact CZ-OD2 3.14Å; R388-D390 IonicContact NE-OD1 2.72Å; R388-D390 PolarHBondContact NE-OD1 2.68Å; R388-D390 IonicContact NE-OD2 3.82Å; R388-D390 PolarHBondContact NE-OD2 3.26Å; R388-D390 IonicContact NH2-OD1 3.18Å; R388-D390 IonicContact NH2-OD2 3.74Å; R388-D390 PolarHBondContact NH2-OD2 2.81Å; R388-D390 PolarHBondContact O-N 2.78Å; R388-L391 HydrophobicContact CB-CD1 4.46Å; R388-L391 HydrophobicContact CB-CG 4.48Å; R388-L391 WeakPolarHBondContact O-CB 3.35Å; R388-L391 PolarHBondContact O-N 2.82Å; R388-L391 VanDerWaalsContact O-N 3.15Å; R388-L392 PolarHBondContact O-N 2.93Å; R388-L392 VanDerWaalsContact O-N 3.15Å; R388-Y419 VanDerWaalsContact C-OH 3.26Å
389E94.8Very high96.4Very high126 Ų12656.5 Ų56.559%0.58927%0.27SS*.Hα-helixtrans-65.3-34.5-178-66.3-175.7176.200113.5L391 L392 K393 Y419E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 2.8Å; E389-L392 WeakPolarHBondContact O-CB 3.37Å; E389-L392 PolarHBondContact O-N 2.89Å; E389-K393 PolarHBondContact O-N 2.99Å; E389-Y419 HydrophobicContact CG-CE2 3.86Å; E389-Y419 WeakPolarHBondContact CG-OH 3.18Å; E389-Y419 PolarHBondContact N-OH 2.74Å
390D95.9Very high96.4Very high81 Ų8159.9 Ų59.943%0.43328%0.283SS..Hα-helixtrans-60.4-37.9173.660.6-56.6000111.7R388 K393 S394R388-D390 VanDerWaalsContact C-N 3.35Å; R388-D390 WeakPolarHBondContact CB-OD1 3.32Å; R388-D390 IonicContact CZ-OD1 2.68Å; R388-D390 IonicContact CZ-OD2 3.14Å; R388-D390 IonicContact NE-OD1 2.72Å; R388-D390 PolarHBondContact NE-OD1 2.68Å; R388-D390 IonicContact NE-OD2 3.82Å; R388-D390 PolarHBondContact NE-OD2 3.26Å; R388-D390 IonicContact NH2-OD1 3.18Å; R388-D390 IonicContact NH2-OD2 3.74Å; R388-D390 PolarHBondContact NH2-OD2 2.81Å; R388-D390 PolarHBondContact O-N 2.78Å; D390-K393 PolarHBondContact O-N 2.95Å; D390-S394 WeakPolarHBondContact O-CB 3.27Å; D390-S394 PolarHBondContact O-N 2.83Å
391L96.9Very high96.4Very high36 Ų3666.6 Ų66.619%0.18831%0.312CS..Hα-helixtrans-70.5-39176.7-60.3176.2000111.6R388 E389 K393 F395 V478R388-L391 HydrophobicContact CB-CD1 4.46Å; R388-L391 HydrophobicContact CB-CG 4.48Å; R388-L391 WeakPolarHBondContact O-CB 3.35Å; R388-L391 PolarHBondContact O-N 2.82Å; R388-L391 VanDerWaalsContact O-N 3.15Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 2.8Å; L391-K393 VanDerWaalsContact C-N 3.35Å; L391-F395 VanDerWaalsContact O-CB 3.28Å; L391-F395 WeakPolarHBondContact O-CB 3.47Å; L391-F395 PolarHBondContact O-N 3.34Å; L391-V478 HydrophobicContact CD1-CG1 4.41Å; L391-V478 HydrophobicContact CD1-CG2 4.11Å
392L96.6Very high96.4Very high8 Ų867.7 Ų67.74%0.04232%0.318CS..Hα-helixtrans-61.9-43174-67.3-179.9000111.9C380 C387 R388 E389 T396 Y419 I446 V477C380-L392 HydrophobicContact CB-CD1 4.35Å; C387-L392 VanDerWaalsContact SG-CD2 3.54Å; R388-L392 PolarHBondContact O-N 2.93Å; R388-L392 VanDerWaalsContact O-N 3.15Å; E389-L392 WeakPolarHBondContact O-CB 3.37Å; E389-L392 PolarHBondContact O-N 2.89Å; L392-T396 WeakPolarHBondContact O-CB 3.47Å; L392-T396 PolarHBondContact O-N 3.34Å; L392-T396 PolarHBondContact O-OG1 3.41Å; L392-Y419 HydrophobicContact CD1-CE1 4.1Å; L392-Y419 HydrophobicContact CD1-CE2 4.36Å; L392-Y419 VanDerWaalsContact CD1-OH 3.32Å; L392-Y419 WeakPolarHBondContact CD1-OH 3.3Å; L392-I446 HydrophobicContact CD2-CD1 3.09Å; L392-V477 HydrophobicContact CD2-CG1 4.22Å
393K96.3Very high96.5Very high132 Ų13267.6 Ų67.657%0.57432%0.317SS*.Hα-helixtrans-64.7-50.4177.2-173.7175.4179.8-179.60111.2E389 D390 L391 F395 T396 D397E389-K393 PolarHBondContact O-N 2.99Å; D390-K393 PolarHBondContact O-N 2.95Å; L391-K393 VanDerWaalsContact C-N 3.35Å; K393-F395 VanDerWaalsContact C-N 3.34Å; K393-F395 PolarHBondContact O-N 2.89Å; K393-T396 WeakPolarHBondContact O-CB 3.43Å; K393-T396 PolarHBondContact O-N 2.98Å; K393-T396 VanDerWaalsContact O-N 3.14Å; K393-D397 PolarHBondContact O-N 2.73Å
394S97.3Very high96.6Very high51 Ų5171.7 Ų71.736%0.35733%0.329SS..Hα-helixtrans-56.4-46.4175.9172.50000112.2D390 T396 D397 Q398D390-S394 WeakPolarHBondContact O-CB 3.27Å; D390-S394 PolarHBondContact O-N 2.83Å; S394-T396 PolarHBondContact O-N 3.47Å; S394-D397 PolarHBondContact O-N 3.02Å; S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 VanDerWaalsContact O-CG 3.31Å; S394-Q398 WeakPolarHBondContact O-CG 3.4Å; S394-Q398 PolarHBondContact O-N 3.23Å; S394-Q398 PolarHBondContact OG-NE2 3.23Å
395F98.3Very high96.7Very high1 Ų170.9 Ų70.90%0.00433%0.328CS..Hα-helixtrans-58.7-46.8175.5165.8-98.6000111.9L391 K393 Q398 L399 V444 V472 V477 T480 L485 L488L391-F395 VanDerWaalsContact O-CB 3.28Å; L391-F395 WeakPolarHBondContact O-CB 3.47Å; L391-F395 PolarHBondContact O-N 3.34Å; K393-F395 VanDerWaalsContact C-N 3.34Å; K393-F395 PolarHBondContact O-N 2.89Å; F395-Q398 PolarHBondContact O-N 3.13Å; F395-L399 HydrophobicContact CE1-CD2 4.1Å; F395-L399 HydrophobicContact CZ-CD2 3.98Å; F395-L399 VanDerWaalsContact O-CB 3.31Å; F395-L399 WeakPolarHBondContact O-CB 3.37Å; F395-L399 PolarHBondContact O-N 2.94Å; F395-V444 HydrophobicContact CE1-CG1 4.23Å; F395-V472 HydrophobicContact CE2-CG1 4.45Å; F395-V472 HydrophobicContact CZ-CG2 4.32Å; F395-V477 HydrophobicContact CB-CG1 3.69Å; F395-V477 HydrophobicContact CD1-CG1 4.32Å; F395-V477 HydrophobicContact CD2-CB 4.31Å; F395-V477 HydrophobicContact CD2-CG1 4.23Å; F395-V477 HydrophobicContact CD2-CG2 4.17Å; F395-V477 HydrophobicContact CE2-CG2 4.28Å; F395-V477 HydrophobicContact CG-CB 4.39Å; F395-V477 HydrophobicContact CG-CG1 3.82Å; F395-V477 HydrophobicContact CG-CG2 4.37Å; F395-T480 HydrophobicContact CB-CG2 4.35Å; F395-T480 HydrophobicContact CD2-CG2 3.75Å; F395-L485 HydrophobicContact CD2-CD2 4.07Å; F395-L485 HydrophobicContact CE2-CD2 3.62Å; F395-L488 HydrophobicContact CE2-CD2 4.44Å; F395-L488 HydrophobicContact CZ-CD2 4.08Å
396T97.7Very high96.9Very high5 Ų561.3 Ų61.33%0.03129%0.288CS..Hα-helixtrans-61.8-47.5179.8-66.90000111.5W376 L392 K393 S394 Q398 L399 R400W376-T396 HydrophobicContact CH2-CG2 3.45Å; W376-T396 VanDerWaalsContact CH2-CG2 3.45Å; W376-T396 HydrophobicContact CZ2-CG2 3.69Å; L392-T396 WeakPolarHBondContact O-CB 3.47Å; L392-T396 PolarHBondContact O-N 3.34Å; L392-T396 PolarHBondContact O-OG1 3.41Å; K393-T396 WeakPolarHBondContact O-CB 3.43Å; K393-T396 PolarHBondContact O-N 2.98Å; K393-T396 VanDerWaalsContact O-N 3.14Å; S394-T396 PolarHBondContact O-N 3.47Å; T396-Q398 VanDerWaalsContact C-N 3.34Å; T396-Q398 PolarHBondContact O-N 3.25Å; T396-L399 PolarHBondContact O-N 3.28Å; T396-R400 HydrophobicContact CG2-CG 4.33Å; T396-R400 WeakPolarHBondContact O-CB 3.44Å; T396-R400 WeakPolarHBondContact O-CG 3.18Å; T396-R400 PolarHBondContact O-N 2.81Å
397D97.8Very high97.1Very high61 Ų6157.8 Ų57.833%0.32628%0.276SS..Hα-helixtrans-64.3-40.3-179.1-69.8-27.6000111.5K393 S394 R400 K401 Q413K393-D397 PolarHBondContact O-N 2.73Å; S394-D397 PolarHBondContact O-N 3.02Å; D397-R400 PolarHBondContact O-N 3Å; D397-R400 IonicContact OD1-NH1 2.77Å; D397-R400 PolarHBondContact OD1-NH1 3.33Å; D397-K401 PolarHBondContact O-N 3.33Å; D397-Q413 PolarHBondContact OD1-NE2 3.33Å; D397-Q413 VanDerWaalsContact OD1-NE2 3.17Å
398Q98.1Very high97.3Very high68 Ų6857.8 Ų57.832%0.31828%0.276SS..Hα-helixtrans-67.6-40.9174.5-68.6-176.730.700112.6S394 F395 T396 K401 I402 T480 L485S394-Q398 WeakPolarHBondContact O-CB 3.46Å; S394-Q398 VanDerWaalsContact O-CG 3.31Å; S394-Q398 WeakPolarHBondContact O-CG 3.4Å; S394-Q398 PolarHBondContact O-N 3.23Å; S394-Q398 PolarHBondContact OG-NE2 3.23Å; F395-Q398 PolarHBondContact O-N 3.13Å; T396-Q398 VanDerWaalsContact C-N 3.34Å; T396-Q398 PolarHBondContact O-N 3.25Å; Q398-K401 PolarHBondContact O-N 3.39Å; Q398-I402 WeakPolarHBondContact O-CG1 3.42Å; Q398-I402 PolarHBondContact O-N 3.43Å; Q398-T480 VanDerWaalsContact CD-OG1 3.3Å; Q398-T480 PolarHBondContact NE2-OG1 3.34Å; Q398-T480 PolarHBondContact OE1-OG1 2.99Å; Q398-L485 HydrophobicContact CB-CD1 3.69Å
399L98.3Very high97.4Very high1 Ų153.4 Ų53.41%0.00527%0.265CS..Hα-helixtrans-61.7-45.1176.4179.260.4000110.8F395 T396 K401 I402 S403 I410 L485 L488F395-L399 HydrophobicContact CE1-CD2 4.1Å; F395-L399 HydrophobicContact CZ-CD2 3.98Å; F395-L399 VanDerWaalsContact O-CB 3.31Å; F395-L399 WeakPolarHBondContact O-CB 3.37Å; F395-L399 PolarHBondContact O-N 2.94Å; T396-L399 PolarHBondContact O-N 3.28Å; L399-K401 VanDerWaalsContact C-N 3.34Å; L399-K401 PolarHBondContact O-N 2.79Å; L399-I402 PolarHBondContact O-N 2.96Å; L399-S403 VanDerWaalsContact O-CB 3.24Å; L399-S403 WeakPolarHBondContact O-CB 3.37Å; L399-S403 PolarHBondContact O-N 3.38Å; L399-I410 HydrophobicContact CD2-CD1 4.31Å; L399-I410 HydrophobicContact CG-CD1 4.03Å; L399-L485 HydrophobicContact CB-CD2 4.46Å; L399-L485 HydrophobicContact CD1-CD2 4.29Å; L399-L488 HydrophobicContact CD1-CD2 4.1Å; L399-L488 HydrophobicContact CD2-CD2 4.39Å
400R98.3Very high97.5Very high71 Ų7148 Ų4827%0.26824%0.24SC..Hα-helixtrans-60.8-41.6176.6-70.6171.666.7-143.91.7112.3T396 D397 S403 K404 I410 G412T396-R400 HydrophobicContact CG2-CG 4.33Å; T396-R400 WeakPolarHBondContact O-CB 3.44Å; T396-R400 WeakPolarHBondContact O-CG 3.18Å; T396-R400 PolarHBondContact O-N 2.81Å; D397-R400 PolarHBondContact O-N 3Å; D397-R400 IonicContact OD1-NH1 2.77Å; D397-R400 PolarHBondContact OD1-NH1 3.33Å; R400-S403 PolarHBondContact O-OG 3.27Å; R400-K404 WeakPolarHBondContact O-CB 3.45Å; R400-K404 PolarHBondContact O-N 3.22Å; R400-I410 HydrophobicContact CG-CB 3.9Å; R400-I410 HydrophobicContact CG-CG2 3.77Å; R400-G412 WeakPolarHBondContact CD-O 3.36Å; R400-G412 VanDerWaalsContact CZ-O 3.3Å; R400-G412 PolarHBondContact NE-O 3.07Å
401K97.8Very high97.5Very high142 Ų14248.3 Ų48.362%0.61724%0.239SC*.Hα-helixtrans-60-55.3175.3179.7178.9177.71790110.9D397 Q398 L399 S403 K404 D405D397-K401 PolarHBondContact O-N 3.33Å; Q398-K401 PolarHBondContact O-N 3.39Å; L399-K401 VanDerWaalsContact C-N 3.34Å; L399-K401 PolarHBondContact O-N 2.79Å; K401-S403 VanDerWaalsContact C-N 3.3Å; K401-S403 PolarHBondContact O-N 3.31Å; K401-K404 WeakPolarHBondContact O-CB 3.37Å; K401-K404 PolarHBondContact O-N 2.75Å; K401-D405 VanDerWaalsContact O-CG 3.32Å; K401-D405 PolarHBondContact O-N 3.11Å
402I97.8Very high97.3Very high33 Ų3348.5 Ų48.517%0.16925%0.25CC..Hα-helixtrans-63.7-36.5-178.5-63.6-63.9000111.6Q398 L399 D405 A406 P482 L485Q398-I402 WeakPolarHBondContact O-CG1 3.42Å; Q398-I402 PolarHBondContact O-N 3.43Å; L399-I402 PolarHBondContact O-N 2.96Å; I402-D405 PolarHBondContact O-N 3.04Å; I402-A406 WeakPolarHBondContact O-CB 3.41Å; I402-A406 PolarHBondContact O-N 3.2Å; I402-P482 HydrophobicContact CD1-CB 4.16Å; I402-L485 HydrophobicContact CB-CB 4.3Å; I402-L485 HydrophobicContact CG1-CB 4.19Å; I402-L485 HydrophobicContact CG1-CD1 4.24Å; I402-L485 HydrophobicContact CG2-CB 4.18Å
403S98Very high97.3Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-67.4-40.3178.288.60000111.7L399 R400 K401 A406 G407 M408 I410L399-S403 VanDerWaalsContact O-CB 3.24Å; L399-S403 WeakPolarHBondContact O-CB 3.37Å; L399-S403 PolarHBondContact O-N 3.38Å; R400-S403 PolarHBondContact O-OG 3.27Å; K401-S403 VanDerWaalsContact C-N 3.3Å; K401-S403 PolarHBondContact O-N 3.31Å; S403-A406 CarbonylContact O-C 3.14Å; S403-A406 PolarHBondContact O-N 3.1Å; S403-G407 PolarHBondContact O-N 2.89Å; S403-M408 CarbonylContact C-O 3.55Å; S403-M408 VanDerWaalsContact C-O 3.26Å; S403-M408 WeakPolarHBondContact CB-O 3.46Å; S403-M408 CarbonylContact O-C 3.6Å; S403-M408 VanDerWaalsContact O-C 3.29Å; S403-M408 WeakPolarHBondContact O-CA 3.4Å; S403-M408 PolarHBondContact O-N 2.94Å; S403-M408 VanDerWaalsContact O-O 3.13Å; S403-M408 PolarHBondContact OG-O 3.05Å; S403-I410 WeakPolarHBondContact OG-CD1 3.36Å; S403-I410 WeakPolarHBondContact OG-CG1 3.48Å; S403-I410 PolarHBondContact OG-N 2.95Å
404K97.6Very high97.4Very high146 Ų14647.6 Ų47.664%0.63525%0.249SC*.Hα-helixtrans-61.6-46.2173.7-174.7-178179.3-177.20111.4R400 K401 A406 G407R400-K404 WeakPolarHBondContact O-CB 3.45Å; R400-K404 PolarHBondContact O-N 3.22Å; K401-K404 WeakPolarHBondContact O-CB 3.37Å; K401-K404 PolarHBondContact O-N 2.75Å; K404-A406 PolarHBondContact O-N 3.09Å; K404-G407 PolarHBondContact O-N 2.92Å
405D96.4Very high97.4Very high92 Ų9247.4 Ų47.449%0.49225%0.247SC..Hα-helixtrans-61.3-35.7178.1-64.9-18.5000111.5Q366 K401 I402 G407Q366-D405 WeakPolarHBondContact CG-O 3.44Å; K401-D405 VanDerWaalsContact O-CG 3.32Å; K401-D405 PolarHBondContact O-N 3.11Å; I402-D405 PolarHBondContact O-N 3.04Å; D405-G407 VanDerWaalsContact C-N 3.27Å; D405-G407 PolarHBondContact O-N 3.08Å
406A97.2Very high97.4Very high6 Ų648.5 Ų48.55%0.0525%0.252CS..THydrogen-bonded Turntrans-78.4-1.2175.100000114.3M362 Q366 F367 I402 S403 K404M362-A406 HydrophobicContact CE-CB 3.97Å; Q366-A406 CarbonylContact C-O 3.57Å; Q366-A406 WeakPolarHBondContact CA-O 3.16Å; F367-A406 HydrophobicContact CD2-CB 4.23Å; F367-A406 WeakPolarHBondContact CD2-O 3.22Å; F367-A406 HydrophobicContact CE2-CB 3.81Å; F367-A406 WeakPolarHBondContact CG-O 3.41Å; F367-A406 HydrophobicContact CZ-CB 4.23Å; F367-A406 PolarHBondContact N-O 2.88Å; I402-A406 WeakPolarHBondContact O-CB 3.41Å; I402-A406 PolarHBondContact O-N 3.2Å; S403-A406 CarbonylContact O-C 3.14Å; S403-A406 PolarHBondContact O-N 3.1Å; K404-A406 PolarHBondContact O-N 3.09Å
407G97.4Very high97.4Very high19 Ų1951 Ų5120%0.19627%0.27CS..THydrogen-bonded Turntrans77.917-179.100000115.1G370 S403 K404 D405 P409G370-G407 WeakPolarHBondContact CA-O 3.31Å; S403-G407 PolarHBondContact O-N 2.89Å; K404-G407 PolarHBondContact O-N 2.92Å; D405-G407 VanDerWaalsContact C-N 3.27Å; D405-G407 PolarHBondContact O-N 3.08Å; G407-P409 VanDerWaalsContact C-CD 3.47Å; G407-P409 WeakPolarHBondContact O-CD 3.38Å
408M98.1Very high97.3Very high0 Ų054.2 Ų54.20%028%0.281CS..  trans-115.672.5172.1-174.7-167.671.900108.9F367 I371 I373 S403 I410 C489 I492 N493F367-M408 HydrophobicContact CD2-CB 3.79Å; F367-M408 HydrophobicContact CE2-CB 3.8Å; F367-M408 HydrophobicContact CE2-SD 4.41Å; I371-M408 WeakPolarHBondContact O-CA 3.09Å; I371-M408 WeakPolarHBondContact O-CG 3.24Å; I373-M408 HydrophobicContact CD1-CE 3.98Å; I373-M408 HydrophobicContact CD1-CG 4.13Å; I373-M408 HydrophobicContact CD1-SD 3.97Å; S403-M408 CarbonylContact C-O 3.55Å; S403-M408 VanDerWaalsContact C-O 3.26Å; S403-M408 WeakPolarHBondContact CB-O 3.46Å; S403-M408 CarbonylContact O-C 3.6Å; S403-M408 VanDerWaalsContact O-C 3.29Å; S403-M408 WeakPolarHBondContact O-CA 3.4Å; S403-M408 PolarHBondContact O-N 2.94Å; S403-M408 VanDerWaalsContact O-O 3.13Å; S403-M408 PolarHBondContact OG-O 3.05Å; M408-I410 PolarHBondContact O-N 2.9Å; M408-C489 HydrophobicContact CE-CB 3.87Å; M408-I492 HydrophobicContact CE-CB 4.03Å; M408-I492 HydrophobicContact CE-CG2 3.83Å; M408-I492 HydrophobicContact SD-CB 4.05Å; M408-I492 HydrophobicContact SD-CG2 3.71Å; M408-N493 HydrophobicContact CG-CB 4.47Å; M408-N493 HydrophobicContact SD-CB 3.61Å; M408-N493 PolarHBondContact SD-N 3.5Å
409P97.9Very high97.3Very high43 Ų4353.8 Ų53.828%0.27928%0.276SS..  trans-65.1126-171.826.7-33.7000111.1E372 I373 G407E372-P409 HydrophobicContact CB-CG 4.33Å; E372-P409 HydrophobicContact CG-CG 4.23Å; I373-P409 PolarHBondContact N-O 2.94Å; G407-P409 VanDerWaalsContact C-CD 3.47Å; G407-P409 WeakPolarHBondContact O-CD 3.38Å
410I98.4Very high97.2Very high11 Ų1154.4 Ų54.46%0.05628%0.282CS..BIsolated β-bridgetrans-94.2108.5168.3-65165.3000107.9I373 W376 L399 R400 S403 M408I373-I410 HydrophobicContact CB-CG1 4Å; I373-I410 HydrophobicContact CD1-CD1 4.41Å; I373-I410 HydrophobicContact CD1-CG1 3.8Å; I373-I410 HydrophobicContact CG1-CG1 4.36Å; I373-I410 HydrophobicContact CG2-CG1 4.42Å; W376-I410 HydrophobicContact CD2-CG2 4.19Å; W376-I410 VanDerWaalsContact CE2-CG2 3.47Å; W376-I410 HydrophobicContact CG-CG2 4.42Å; W376-I410 HydrophobicContact CZ2-CG2 3.8Å; W376-I410 VanDerWaalsContact NE1-CG2 3.27Å; L399-I410 HydrophobicContact CD2-CD1 4.31Å; L399-I410 HydrophobicContact CG-CD1 4.03Å; R400-I410 HydrophobicContact CG-CB 3.9Å; R400-I410 HydrophobicContact CG-CG2 3.77Å; S403-I410 WeakPolarHBondContact OG-CD1 3.36Å; S403-I410 WeakPolarHBondContact OG-CG1 3.48Å; S403-I410 PolarHBondContact OG-N 2.95Å; M408-I410 PolarHBondContact O-N 2.9Å
411Q95.3Very high97Very high89 Ų8958.6 Ų58.642%0.41630%0.304SS..  trans-81.2140.2-179.1-64.3-168-2000111.3E372 I373E372-Q411 HydrophobicContact CG-CG 4.44Å; E372-Q411 PolarHBondContact OE1-NE2 3.47Å; I373-Q411 PolarHBondContact O-N 2.78Å
412G93.1Very high96.7Very high40 Ų4053.8 Ų53.841%0.41230%0.295SS..SBendtrans61.5-172.8176.500000115.3R400R400-G412 WeakPolarHBondContact CD-O 3.36Å; R400-G412 VanDerWaalsContact CZ-O 3.3Å; R400-G412 PolarHBondContact NE-O 3.07Å
413Q96.4Very high96.5Very high97 Ų9753.3 Ų53.345%0.45330%0.296SS..SBendtrans-85.1160.9168.5-71.5-62.7-23.400109.5D397D397-Q413 PolarHBondContact OD1-NE2 3.33Å; D397-Q413 VanDerWaalsContact OD1-NE2 3.17Å
414P97.5Very high96.3Very high23 Ų2359.2 Ų59.215%0.14933%0.328CS..  trans-61141.6177.726.7-34.2000110.5W376 V378 F416 C417W376-P414 HydrophobicContact CD2-CB 3.97Å; W376-P414 HydrophobicContact CE3-CB 4.06Å; W376-P414 HydrophobicContact CH2-CB 3.96Å; W376-P414 HydrophobicContact CH2-CG 4.05Å; W376-P414 HydrophobicContact CZ2-CB 3.87Å; W376-P414 VanDerWaalsContact CZ2-CD 3.5Å; W376-P414 HydrophobicContact CZ2-CG 4.08Å; W376-P414 HydrophobicContact CZ3-CB 4.07Å; W376-P414 CarbonylContact O-C 3.52Å; W376-P414 VanDerWaalsContact O-CA 3.23Å; W376-P414 WeakPolarHBondContact O-CA 3.27Å; W376-P414 WeakPolarHBondContact O-CB 3.45Å; V378-P414 HydrophobicContact CG2-CB 4.02Å; V378-P414 HydrophobicContact CG2-CG 4.03Å; P414-F416 PolarHBondContact O-N 2.83Å; P414-C417 HydrophobicContact CG-CB 4.25Å
415C97.8Very high96.3Very high47 Ų4753.8 Ų53.832%0.31831%0.308SS..SBendtrans-69.5-16.9179.567.20000112.7V375 W376 Y437V375-C415 HydrophobicContact CG1-CB 4.41Å; W376-C415 PolarHBondContact O-N 2.87Å; W376-C415 PolarHBondContact O-SG 3.1Å; C415-Y437 HydrophobicContact CB-CD1 3.67Å; C415-Y437 HydrophobicContact CB-CE1 3.7Å; C415-Y437 VanDerWaalsContact O-CE1 3.27Å; C415-Y437 WeakPolarHBondContact O-CE1 3.41Å; C415-Y437 PolarHBondContact O-OH 2.77Å; C415-Y437 WeakPolarHBondContact SG-CD1 3.25Å
416F98Very high96.4Very high25 Ų2549.4 Ų49.411%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-147.5133.6176.9178.7-86.5000110A377 V378 P414 K418 M429 L433 Y437A377-F416 CarbonylContact C-O 3.6Å; A377-F416 WeakPolarHBondContact CA-O 3.47Å; A377-F416 HydrophobicContact CB-CB 3.96Å; A377-F416 HydrophobicContact CB-CD1 4.41Å; V378-F416 PolarHBondContact N-O 2.87Å; P414-F416 PolarHBondContact O-N 2.83Å; F416-K418 HydrophobicContact CD1-CB 4.48Å; F416-K418 HydrophobicContact CD1-CG 4.46Å; F416-K418 HydrophobicContact CD2-CG 4.33Å; F416-K418 HydrophobicContact CE1-CB 3.6Å; F416-K418 HydrophobicContact CE1-CG 3.81Å; F416-K418 HydrophobicContact CE2-CB 4.31Å; F416-K418 HydrophobicContact CE2-CG 3.65Å; F416-K418 HydrophobicContact CZ-CB 3.51Å; F416-K418 HydrophobicContact CZ-CG 3.37Å; F416-M429 HydrophobicContact CE1-CE 4.36Å; F416-M429 HydrophobicContact CE1-CG 4.32Å; F416-M429 HydrophobicContact CE1-SD 3.98Å; F416-M429 HydrophobicContact CZ-CE 4.28Å; F416-M429 HydrophobicContact CZ-CG 4.28Å; F416-M429 HydrophobicContact CZ-SD 4.31Å; F416-L433 HydrophobicContact CB-CD2 3.66Å; F416-L433 HydrophobicContact CD1-CD2 3.72Å; F416-L433 HydrophobicContact CD2-CD2 3.87Å; F416-L433 HydrophobicContact CE1-CD2 4.24Å; F416-L433 HydrophobicContact CE2-CD2 4.38Å; F416-L433 HydrophobicContact CG-CD2 3.5Å; F416-L433 VanDerWaalsContact CG-CD2 3.5Å; F416-Y437 HydrophobicContact CB-CE2 3.94Å; F416-Y437 HydrophobicContact CD2-CE2 4.14Å; F416-Y437 HydrophobicContact CG-CE2 4.42Å
417C97.5Very high96.4Very high58 Ų5851 Ų5139%0.39229%0.291SS..EExtended strand (participates in β ladder)trans-144.6105.4173.2-175.30000109.9V378 P414V378-C417 HydrophobicContact CB-CB 4.3Å; V378-C417 WeakPolarHBondContact O-CA 3.39Å; P414-C417 HydrophobicContact CG-CB 4.25Å
418K97.1Very high96.4Very high128 Ų12854 Ų5456%0.55731%0.307SS*.EExtended strand (participates in β ladder)trans-140.2155.8-178.8-66.9-68.5-177.5178.10112.9V378 C380 F416V378-K418 PolarHBondContact O-N 3.13Å; C380-K418 PolarHBondContact N-O 3.21Å; F416-K418 HydrophobicContact CD1-CB 4.48Å; F416-K418 HydrophobicContact CD1-CG 4.46Å; F416-K418 HydrophobicContact CD2-CG 4.33Å; F416-K418 HydrophobicContact CE1-CB 3.6Å; F416-K418 HydrophobicContact CE1-CG 3.81Å; F416-K418 HydrophobicContact CE2-CB 4.31Å; F416-K418 HydrophobicContact CE2-CG 3.65Å; F416-K418 HydrophobicContact CZ-CB 3.51Å; F416-K418 HydrophobicContact CZ-CG 3.37Å
419Y97.6Very high96.4Very high59 Ų5955.2 Ų55.223%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-84.7148.9169.2-62.8-86.6000111.2C380 Q384 C387 R388 E389 L392C380-Y419 HydrophobicContact CB-CD1 3.72Å; C380-Y419 HydrophobicContact CB-CE1 3.96Å; C380-Y419 HydrophobicContact CB-CG 4.44Å; C380-Y419 CarbonylContact O-C 3.52Å; C380-Y419 VanDerWaalsContact O-CA 3.22Å; C380-Y419 WeakPolarHBondContact O-CA 3.34Å; Q384-Y419 HydrophobicContact CB-CD1 4.21Å; Q384-Y419 HydrophobicContact CB-CE1 4.01Å; Q384-Y419 HydrophobicContact CB-CE2 4.46Å; Q384-Y419 HydrophobicContact CG-CE1 4.16Å; Q384-Y419 HydrophobicContact CG-CE2 3.97Å; C387-Y419 WeakPolarHBondContact O-CE1 3.38Å; C387-Y419 PolarHBondContact O-OH 3.35Å; R388-Y419 VanDerWaalsContact C-OH 3.26Å; E389-Y419 HydrophobicContact CG-CE2 3.86Å; E389-Y419 WeakPolarHBondContact CG-OH 3.18Å; E389-Y419 PolarHBondContact N-OH 2.74Å; L392-Y419 HydrophobicContact CD1-CE1 4.1Å; L392-Y419 HydrophobicContact CD1-CE2 4.36Å; L392-Y419 VanDerWaalsContact CD1-OH 3.32Å; L392-Y419 WeakPolarHBondContact CD1-OH 3.3Å
420A96.5Very high96.5Very high14 Ų1453.2 Ų53.212%0.11630%0.3CS..  trans-146.5166.4172.200000110.8C380 F381 M429C380-A420 PolarHBondContact O-N 2.84Å; F381-A420 WeakPolarHBondContact CA-O 3.47Å; F381-A420 HydrophobicContact CD1-CB 3.99Å; F381-A420 HydrophobicContact CE1-CB 3.71Å; F381-A420 HydrophobicContact CE2-CB 4.47Å; F381-A420 HydrophobicContact CZ-CB 3.94Å; A420-M429 HydrophobicContact CB-CE 3.51Å
421Q93.1Very high96.5Very high158 Ų15856.9 Ų56.974%0.73832%0.316SS*.  trans-138.8149.1177.8-64.6-172.3300110.6S425Q421-S425 WeakPolarHBondContact O-CB 3.28Å; Q421-S425 PolarHBondContact O-OG 3.41Å
422G91.7Very high96.6Very high42 Ų4256.9 Ų56.943%0.43332%0.315SS..SBendtrans73.616417900000114.1F381 D424 S425F381-G422 WeakPolarHBondContact CE1-O 3.17Å; G422-D424 VanDerWaalsContact C-N 3.34Å; G422-S425 PolarHBondContact O-OG 3.05Å; G422-S425 VanDerWaalsContact O-OG 3.1Å
423A93.8Very high96.8Very high23 Ų2355 Ų5519%0.1930%0.296CS..SBendtrans-72.2-31.7175.800000111.5S425 V426 E456A423-S425 PolarHBondContact O-N 2.75Å; A423-S425 VanDerWaalsContact O-N 3.15Å; A423-V426 VanDerWaalsContact O-CB 3.32Å; A423-V426 WeakPolarHBondContact O-CB 3.4Å; A423-V426 VanDerWaalsContact O-CG2 3.26Å; A423-V426 WeakPolarHBondContact O-CG2 3.46Å; A423-V426 PolarHBondContact O-N 2.83Å; A423-E456 HydrophobicContact CB-CB 4.03Å; A423-E456 HydrophobicContact CB-CG 4.2Å
424D94.6Very high96.9Very high124 Ų12454.4 Ų54.466%0.66329%0.292SS*.THydrogen-bonded Turntrans-65.6-21.7-174.5-56.1-44.4000113.9G422 P428G422-D424 VanDerWaalsContact C-N 3.34Å; D424-P428 WeakPolarHBondContact O-CD 3.49Å
425S96.8Very high96.9Very high32 Ų3261 Ų6122%0.22432%0.322CS..THydrogen-bonded Turntrans-81.3-11.7176.859.60000114F381 Q421 G422 A423 M429F381-S425 VanDerWaalsContact CE1-OG 3.31Å; F381-S425 WeakPolarHBondContact CE1-OG 3.39Å; Q421-S425 WeakPolarHBondContact O-CB 3.28Å; Q421-S425 PolarHBondContact O-OG 3.41Å; G422-S425 PolarHBondContact O-OG 3.05Å; G422-S425 VanDerWaalsContact O-OG 3.1Å; A423-S425 PolarHBondContact O-N 2.75Å; A423-S425 VanDerWaalsContact O-N 3.15Å; S425-M429 WeakPolarHBondContact O-CB 3.05Å; S425-M429 PolarHBondContact O-N 3.32Å
426V97.9Very high96.9Very high0 Ų062.1 Ų62.10%033%0.328CS..Hα-helixtrans-65.5-53.5-1781760000111.3F381 A423 M429 F430 V453 E456 V457 V460F381-V426 HydrophobicContact CE1-CG2 3.67Å; F381-V426 HydrophobicContact CE2-CG2 4.47Å; F381-V426 HydrophobicContact CZ-CB 4.39Å; F381-V426 HydrophobicContact CZ-CG2 3.55Å; A423-V426 VanDerWaalsContact O-CB 3.32Å; A423-V426 WeakPolarHBondContact O-CB 3.4Å; A423-V426 VanDerWaalsContact O-CG2 3.26Å; A423-V426 WeakPolarHBondContact O-CG2 3.46Å; A423-V426 PolarHBondContact O-N 2.83Å; V426-M429 PolarHBondContact O-N 2.84Å; V426-F430 HydrophobicContact CG1-CD1 4.44Å; V426-F430 HydrophobicContact CG1-CD2 4.44Å; V426-F430 HydrophobicContact CG1-CE1 4.33Å; V426-F430 HydrophobicContact CG1-CE2 4.29Å; V426-F430 HydrophobicContact CG1-CZ 4.25Å; V426-F430 WeakPolarHBondContact O-CB 3.32Å; V426-F430 WeakPolarHBondContact O-CD1 3.17Å; V426-F430 PolarHBondContact O-N 2.81Å; V426-V453 HydrophobicContact CG2-CG1 3.92Å; V426-E456 HydrophobicContact CB-CG 3.82Å; V426-E456 HydrophobicContact CG1-CG 4.13Å; V426-E456 HydrophobicContact CG2-CB 4.4Å; V426-E456 HydrophobicContact CG2-CG 4.04Å; V426-V457 HydrophobicContact CG1-CB 4.44Å; V426-V457 HydrophobicContact CG1-CG2 3.86Å; V426-V457 HydrophobicContact CG2-CG2 3.93Å; V426-V460 HydrophobicContact CG1-CB 4.08Å; V426-V460 HydrophobicContact CG1-CG1 4.43Å; V426-V460 HydrophobicContact CG1-CG2 4.01Å
427E97.8Very high96.9Very high40 Ų4063.8 Ų63.819%0.18733%0.334CS..Hα-helixtrans-64.5-48.6-174.8-174.7178.5147.400112.9M429 F430 K431 R459 V460 L464 K755E427-M429 VanDerWaalsContact C-N 3.34Å; E427-M429 PolarHBondContact O-N 3.15Å; E427-F430 PolarHBondContact O-N 3.31Å; E427-K431 HydrophobicContact CG-CD 4.28Å; E427-K431 WeakPolarHBondContact O-CB 3.26Å; E427-K431 WeakPolarHBondContact O-CG 3.42Å; E427-K431 PolarHBondContact O-N 3.35Å; E427-K431 VanDerWaalsContact OE1-CE 3.28Å; E427-K431 WeakPolarHBondContact OE1-CE 3.39Å; E427-K431 IonicContact OE1-NZ 2.57Å; E427-K431 PolarHBondContact OE1-NZ 3Å; E427-R459 IonicContact OE2-CZ 2.71Å; E427-R459 IonicContact OE2-NH2 3.57Å; E427-R459 PolarHBondContact OE2-NH2 3.05Å; E427-V460 HydrophobicContact CB-CG1 4.39Å; E427-V460 HydrophobicContact CB-CG2 3.81Å; E427-V460 HydrophobicContact CG-CG1 4.43Å; E427-V460 HydrophobicContact CG-CG2 4.26Å; E427-L464 VanDerWaalsContact CD-CD2 3.43Å; E427-L464 HydrophobicContact CG-CD2 3.78Å; E427-K755 IonicContact OE2-NZ 3.3Å
428P98.2Very high96.8Very high80 Ų8067.6 Ų67.652%0.51936%0.355SS..Hα-helixtrans-59.3-43.5175.9-23.734.8000112.5D424 K431 H432D424-P428 WeakPolarHBondContact O-CD 3.49Å; P428-K431 PolarHBondContact O-N 2.92Å; P428-H432 WeakPolarHBondContact O-CB 3.46Å; P428-H432 PolarHBondContact O-N 3.36Å
429M98.3Very high96.7Very high27 Ų2764.1 Ų64.113%0.13336%0.356CS..Hα-helixtrans-63.2-45178.8-179.2180-70.100111.5A379 F416 A420 S425 V426 E427 H432 L433A379-M429 HydrophobicContact CB-SD 3.63Å; F416-M429 HydrophobicContact CE1-CE 4.36Å; F416-M429 HydrophobicContact CE1-CG 4.32Å; F416-M429 HydrophobicContact CE1-SD 3.98Å; F416-M429 HydrophobicContact CZ-CE 4.28Å; F416-M429 HydrophobicContact CZ-CG 4.28Å; F416-M429 HydrophobicContact CZ-SD 4.31Å; A420-M429 HydrophobicContact CB-CE 3.51Å; S425-M429 WeakPolarHBondContact O-CB 3.05Å; S425-M429 PolarHBondContact O-N 3.32Å; V426-M429 PolarHBondContact O-N 2.84Å; E427-M429 VanDerWaalsContact C-N 3.34Å; E427-M429 PolarHBondContact O-N 3.15Å; M429-H432 WeakPolarHBondContact O-CB 3.47Å; M429-H432 PolarHBondContact O-N 2.85Å; M429-L433 HydrophobicContact CG-CD1 4.13Å; M429-L433 HydrophobicContact CG-CG 4.43Å; M429-L433 VanDerWaalsContact O-CG 3.3Å; M429-L433 WeakPolarHBondContact O-CG 3.49Å; M429-L433 PolarHBondContact O-N 3.37Å
430F98.5Very high96.7Very high0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-70.5-35.7-178.1-77.823.4000112.1V426 E427 L433 K434 I443 V445 V457 V460 L465 M467 T469V426-F430 HydrophobicContact CG1-CD1 4.44Å; V426-F430 HydrophobicContact CG1-CD2 4.44Å; V426-F430 HydrophobicContact CG1-CE1 4.33Å; V426-F430 HydrophobicContact CG1-CE2 4.29Å; V426-F430 HydrophobicContact CG1-CZ 4.25Å; V426-F430 WeakPolarHBondContact O-CB 3.32Å; V426-F430 WeakPolarHBondContact O-CD1 3.17Å; V426-F430 PolarHBondContact O-N 2.81Å; E427-F430 PolarHBondContact O-N 3.31Å; F430-L433 HydrophobicContact CD1-CD1 4.31Å; F430-L433 PolarHBondContact O-N 3.17Å; F430-K434 WeakPolarHBondContact O-CB 3.47Å; F430-K434 PolarHBondContact O-N 3.2Å; F430-I443 HydrophobicContact CD1-CD1 3.89Å; F430-I443 HydrophobicContact CD2-CD1 4.03Å; F430-I443 HydrophobicContact CE1-CD1 3.91Å; F430-I443 HydrophobicContact CE1-CG2 4.02Å; F430-I443 HydrophobicContact CE2-CD1 4.09Å; F430-I443 HydrophobicContact CG-CD1 3.95Å; F430-I443 HydrophobicContact CZ-CD1 4.02Å; F430-I443 HydrophobicContact CZ-CG2 4.16Å; F430-V445 HydrophobicContact CE1-CG2 4.5Å; F430-V445 HydrophobicContact CZ-CG2 3.99Å; F430-V457 HydrophobicContact CE2-CG1 4.29Å; F430-V457 HydrophobicContact CZ-CG1 4.09Å; F430-V457 HydrophobicContact CZ-CG2 4.38Å; F430-V460 HydrophobicContact CB-CG1 3.84Å; F430-V460 HydrophobicContact CD2-CB 4.3Å; F430-V460 HydrophobicContact CD2-CG1 3.65Å; F430-V460 HydrophobicContact CG-CG1 4.07Å; F430-L465 HydrophobicContact CB-CD1 3.57Å; F430-M467 HydrophobicContact CB-SD 4.25Å; F430-T469 HydrophobicContact CE2-CG2 3.52Å; F430-T469 HydrophobicContact CZ-CG2 3.91Å
431K98.3Very high96.8Very high89 Ų8964.8 Ų64.839%0.38736%0.359SS..Hα-helixtrans-59.4-48.3171.3-77.3179177.9170.30111E427 P428 L433 K434 M435 L465E427-K431 HydrophobicContact CG-CD 4.28Å; E427-K431 WeakPolarHBondContact O-CB 3.26Å; E427-K431 WeakPolarHBondContact O-CG 3.42Å; E427-K431 PolarHBondContact O-N 3.35Å; E427-K431 VanDerWaalsContact OE1-CE 3.28Å; E427-K431 WeakPolarHBondContact OE1-CE 3.39Å; E427-K431 IonicContact OE1-NZ 2.57Å; E427-K431 PolarHBondContact OE1-NZ 3Å; P428-K431 PolarHBondContact O-N 2.92Å; K431-L433 PolarHBondContact O-N 2.93Å; K431-K434 PolarHBondContact O-N 2.84Å; K431-M435 WeakPolarHBondContact O-CG 3.16Å; K431-M435 PolarHBondContact O-N 2.89Å; K431-L465 HydrophobicContact CG-CD1 3.99Å; K431-L465 HydrophobicContact CG-CD2 4.08Å
432H98.1Very high97.1Very high89 Ų8957.3 Ų57.341%0.41233%0.325SS..Hα-helixtrans-57-49.6174.7174.968.7000111.4P428 M429 K434 M435 T436P428-H432 WeakPolarHBondContact O-CB 3.46Å; P428-H432 PolarHBondContact O-N 3.36Å; M429-H432 WeakPolarHBondContact O-CB 3.47Å; M429-H432 PolarHBondContact O-N 2.85Å; H432-K434 VanDerWaalsContact C-N 3.35Å; H432-K434 PolarHBondContact O-N 3.35Å; H432-M435 PolarHBondContact O-N 3.33Å; H432-T436 PolarHBondContact CE1-OG1 3.06Å; H432-T436 PolarHBondContact ND1-OG1 3.47Å; H432-T436 VanDerWaalsContact O-CB 3.27Å; H432-T436 WeakPolarHBondContact O-CB 3.38Å; H432-T436 PolarHBondContact O-N 3.06Å; H432-T436 PolarHBondContact O-OG1 3.22Å; H432-T436 VanDerWaalsContact O-OG1 3.06Å
433L98.3Very high97.4Very high0 Ų055.4 Ų55.40%030%0.304CS..Hα-helixtrans-57.6-44.1178.6-73.8174.6000112.9A377 F416 M429 F430 K431 Y437 L440 I443 M467A377-L433 HydrophobicContact CB-CD1 4.24Å; A377-L433 HydrophobicContact CB-CD2 4.03Å; F416-L433 HydrophobicContact CB-CD2 3.66Å; F416-L433 HydrophobicContact CD1-CD2 3.72Å; F416-L433 HydrophobicContact CD2-CD2 3.87Å; F416-L433 HydrophobicContact CE1-CD2 4.24Å; F416-L433 HydrophobicContact CE2-CD2 4.38Å; F416-L433 HydrophobicContact CG-CD2 3.5Å; F416-L433 VanDerWaalsContact CG-CD2 3.5Å; M429-L433 HydrophobicContact CG-CD1 4.13Å; M429-L433 HydrophobicContact CG-CG 4.43Å; M429-L433 VanDerWaalsContact O-CG 3.3Å; M429-L433 WeakPolarHBondContact O-CG 3.49Å; M429-L433 PolarHBondContact O-N 3.37Å; F430-L433 HydrophobicContact CD1-CD1 4.31Å; F430-L433 PolarHBondContact O-N 3.17Å; K431-L433 PolarHBondContact O-N 2.93Å; L433-Y437 HydrophobicContact CD2-CD2 3.79Å; L433-Y437 HydrophobicContact CD2-CE2 3.72Å; L433-Y437 PolarHBondContact O-N 2.88Å; L433-Y437 VanDerWaalsContact O-N 3.14Å; L433-L440 HydrophobicContact CB-CD2 3.8Å; L433-I443 HydrophobicContact CD1-CD1 3.68Å; L433-I443 HydrophobicContact CD1-CG1 4.14Å; L433-I443 HydrophobicContact CD1-CG2 4.39Å; L433-M467 HydrophobicContact CB-CE 4.38Å
434K97.5Very high97.7Very high85 Ų8554.3 Ų54.337%0.3730%0.295SS..Hα-helixtrans-65.2-38.1179.3-170.5170.2-178.9173.30112.4F430 K431 H432 L465 M467 D786F430-K434 WeakPolarHBondContact O-CB 3.47Å; F430-K434 PolarHBondContact O-N 3.2Å; K431-K434 PolarHBondContact O-N 2.84Å; H432-K434 VanDerWaalsContact C-N 3.35Å; H432-K434 PolarHBondContact O-N 3.35Å; K434-L465 HydrophobicContact CD-CB 4.31Å; K434-L465 PolarHBondContact NZ-O 3.22Å; K434-M467 HydrophobicContact CB-CE 3.9Å; K434-M467 HydrophobicContact CB-SD 3.84Å; K434-M467 HydrophobicContact CD-CG 4.36Å; K434-M467 HydrophobicContact CD-SD 4.28Å; K434-M467 HydrophobicContact CG-CE 4.49Å; K434-M467 HydrophobicContact CG-SD 4.36Å; K434-D786 IonicContact NZ-OD2 3.07Å
435M97.3Very high97.9Very high161 Ų16148.4 Ų48.479%0.79326%0.264SS*.Hα-helixtrans-80.9-34.2-178-67.2176.872.200112.9K431 H432K431-M435 WeakPolarHBondContact O-CG 3.16Å; K431-M435 PolarHBondContact O-N 2.89Å; H432-M435 PolarHBondContact O-N 3.33Å
436T98.1Very high98Very high71 Ų7146.9 Ų46.944%0.43625%0.253SS..Hα-helixtrans-86.9-36.9-173.3-60.40000113H432H432-T436 PolarHBondContact CE1-OG1 3.06Å; H432-T436 PolarHBondContact ND1-OG1 3.47Å; H432-T436 VanDerWaalsContact O-CB 3.27Å; H432-T436 WeakPolarHBondContact O-CB 3.38Å; H432-T436 PolarHBondContact O-N 3.06Å; H432-T436 PolarHBondContact O-OG1 3.22Å; H432-T436 VanDerWaalsContact O-OG1 3.06Å
437Y97.6Very high98Very high60 Ų6047.2 Ų47.224%0.23526%0.255CS..SBendtrans-109.792.3-173.5-59.7-82.3000111C415 F416 L433 G439 L440C415-Y437 HydrophobicContact CB-CD1 3.67Å; C415-Y437 HydrophobicContact CB-CE1 3.7Å; C415-Y437 VanDerWaalsContact O-CE1 3.27Å; C415-Y437 WeakPolarHBondContact O-CE1 3.41Å; C415-Y437 PolarHBondContact O-OH 2.77Å; C415-Y437 WeakPolarHBondContact SG-CD1 3.25Å; F416-Y437 HydrophobicContact CB-CE2 3.94Å; F416-Y437 HydrophobicContact CD2-CE2 4.14Å; F416-Y437 HydrophobicContact CG-CE2 4.42Å; L433-Y437 HydrophobicContact CD2-CD2 3.79Å; L433-Y437 HydrophobicContact CD2-CE2 3.72Å; L433-Y437 PolarHBondContact O-N 2.88Å; L433-Y437 VanDerWaalsContact O-N 3.14Å; Y437-G439 PolarHBondContact O-N 3.17Å; Y437-L440 WeakPolarHBondContact O-CB 3.49Å; Y437-L440 PolarHBondContact O-N 2.88Å
438V95.6Very high97.8Very high138 Ų13847.8 Ų47.884%0.83626%0.262SS*.THydrogen-bonded Turntrans-58.4131.9176.1-178.50000110L440V438-L440 VanDerWaalsContact C-N 3.34Å
439G95.1Very high97.5Very high55 Ų5545 Ų4557%0.56725%0.248SC*.THydrogen-bonded Turntrans75.416.6179.800000114.9Y437 Q441Y437-G439 PolarHBondContact O-N 3.17Å; G439-Q441 WeakPolarHBondContact O-CG 3.26Å; G439-Q441 PolarHBondContact O-N 3.28Å
440L98.2Very high97Very high32 Ų3249.8 Ų49.817%0.16827%0.268CS..  trans-55.7117.7175.3178.361.9000111.7V375 A377 L433 Y437 V438 I443 M467V375-L440 HydrophobicContact CG1-CB 4.29Å; V375-L440 HydrophobicContact CG1-CD1 4.16Å; A377-L440 HydrophobicContact CB-CD1 4.18Å; L433-L440 HydrophobicContact CB-CD2 3.8Å; Y437-L440 WeakPolarHBondContact O-CB 3.49Å; Y437-L440 PolarHBondContact O-N 2.88Å; V438-L440 VanDerWaalsContact C-N 3.34Å; L440-I443 HydrophobicContact CD2-CD1 4.4Å; L440-I443 HydrophobicContact CD2-CG1 4.16Å; L440-M467 HydrophobicContact CD2-CE 3.42Å; L440-M467 VanDerWaalsContact CD2-CE 3.42Å; L440-M467 HydrophobicContact CG-CE 4.29Å
441Q98.5Very high96.6Very high54 Ų5451.3 Ų51.325%0.25228%0.277SS..  trans-93.7-35.8-175.5-65.5169.8-84.800112.8E372 V375 G439 A468 L496E372-Q441 PolarHBondContact O-NE2 2.91Å; V375-Q441 WeakPolarHBondContact O-CB 3.32Å; V375-Q441 PolarHBondContact O-N 2.79Å; G439-Q441 WeakPolarHBondContact O-CG 3.26Å; G439-Q441 PolarHBondContact O-N 3.28Å; Q441-A468 WeakPolarHBondContact O-CB 3.37Å; Q441-L496 HydrophobicContact CB-CD2 4.4Å; Q441-L496 WeakPolarHBondContact O-CD2 3.36Å
442L98.7Very high96.2Very high2 Ų249.9 Ų49.91%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-149139.2-170.1-179.268.9000112.6W376 A377 V444 A468 Q470 I492W376-L442 CarbonylContact C-O 3.52Å; W376-L442 VanDerWaalsContact CA-O 3.28Å; W376-L442 WeakPolarHBondContact CA-O 3.47Å; W376-L442 HydrophobicContact CB-CB 4.22Å; A377-L442 PolarHBondContact N-O 2.98Å; L442-V444 HydrophobicContact CD2-CG2 3.85Å; L442-V444 HydrophobicContact CG-CG2 4.23Å; L442-A468 HydrophobicContact CD1-CB 4.45Å; L442-Q470 HydrophobicContact CD1-CB 4.04Å; L442-I492 HydrophobicContact CD2-CD1 4.15Å; L442-I492 HydrophobicContact CD2-CG1 4.21Å; L442-I492 HydrophobicContact CD2-CG2 3.7Å
443I98.8Very high96Very high1 Ų145.9 Ų45.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-112116.7163.7-52.3172.2000109.4A379 F430 L433 L440 V445 M467 A468 T469 Q470A379-I443 HydrophobicContact CB-CG2 4.24Å; F430-I443 HydrophobicContact CD1-CD1 3.89Å; F430-I443 HydrophobicContact CD2-CD1 4.03Å; F430-I443 HydrophobicContact CE1-CD1 3.91Å; F430-I443 HydrophobicContact CE1-CG2 4.02Å; F430-I443 HydrophobicContact CE2-CD1 4.09Å; F430-I443 HydrophobicContact CG-CD1 3.95Å; F430-I443 HydrophobicContact CZ-CD1 4.02Å; F430-I443 HydrophobicContact CZ-CG2 4.16Å; L433-I443 HydrophobicContact CD1-CD1 3.68Å; L433-I443 HydrophobicContact CD1-CG1 4.14Å; L433-I443 HydrophobicContact CD1-CG2 4.39Å; L440-I443 HydrophobicContact CD2-CD1 4.4Å; L440-I443 HydrophobicContact CD2-CG1 4.16Å; I443-V445 HydrophobicContact CG2-CG2 3.82Å; I443-M467 HydrophobicContact CD1-CE 3.6Å; I443-M467 HydrophobicContact CD1-SD 4.19Å; I443-M467 HydrophobicContact CG1-CE 4.35Å; I443-A468 PolarHBondContact N-O 2.6Å; I443-T469 HydrophobicContact CB-CG2 4.41Å; I443-T469 WeakPolarHBondContact O-CA 3.22Å; I443-Q470 PolarHBondContact O-N 3.27Å
444V98.8Very high96Very high0 Ų049 Ų490%027%0.271CS..EExtended strand (participates in β ladder)trans-86.3120169.5179.90000108.6W376 A377 V378 A379 F395 L442 Q470 V472W376-V444 HydrophobicContact CE3-CG2 4.09Å; W376-V444 HydrophobicContact CZ3-CG2 4.11Å; A377-V444 PolarHBondContact O-N 2.85Å; V378-V444 CarbonylContact C-O 3.58Å; V378-V444 WeakPolarHBondContact CA-O 3.49Å; V378-V444 HydrophobicContact CG2-CB 4.41Å; A379-V444 PolarHBondContact N-O 3.17Å; F395-V444 HydrophobicContact CE1-CG1 4.23Å; L442-V444 HydrophobicContact CD2-CG2 3.85Å; L442-V444 HydrophobicContact CG-CG2 4.23Å; V444-Q470 CarbonylContact C-O 3.55Å; V444-Q470 WeakPolarHBondContact CA-O 3.2Å; V444-V472 HydrophobicContact CG1-CG2 4.24Å
445V98.8Very high95.9Very high0 Ų045.5 Ų45.50%026%0.258CS..EExtended strand (participates in β ladder)trans-112.7120.7-174.7-173.30000110.6A379 F381 F430 I443 L447 V457 Q470 C471 V472A379-V445 CarbonylContact O-C 3.44Å; A379-V445 WeakPolarHBondContact O-CA 3.35Å; F381-V445 HydrophobicContact CD2-CG1 3.66Å; F381-V445 HydrophobicContact CE2-CG1 3.86Å; F430-V445 HydrophobicContact CE1-CG2 4.5Å; F430-V445 HydrophobicContact CZ-CG2 3.99Å; I443-V445 HydrophobicContact CG2-CG2 3.82Å; V445-L447 HydrophobicContact CG1-CD2 3.88Å; V445-L447 HydrophobicContact CG1-CG 4.41Å; V445-V457 HydrophobicContact CG1-CG2 4.02Å; V445-V457 HydrophobicContact CG2-CG1 4Å; V445-Q470 PolarHBondContact N-O 3.25Å; V445-C471 CarbonylContact O-C 3.57Å; V445-C471 WeakPolarHBondContact O-CA 3.5Å; V445-V472 PolarHBondContact O-N 3.15Å
446I98.7Very high95.8Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-98.5127.3-178.4-58.9167.9000109.3V378 A379 C380 F381 A382 L392 V472 V474 V477V378-I446 HydrophobicContact CG1-CD1 3.96Å; A379-I446 PolarHBondContact O-N 3.4Å; C380-I446 HydrophobicContact CB-CB 4.38Å; F381-I446 WeakPolarHBondContact CA-O 3.19Å; F381-I446 WeakPolarHBondContact CB-O 3.4Å; F381-I446 PolarHBondContact N-O 3.36Å; A382-I446 HydrophobicContact CB-CG2 4.29Å; L392-I446 HydrophobicContact CD2-CD1 3.09Å; I446-V472 WeakPolarHBondContact CA-O 3.33Å; I446-V474 HydrophobicContact CG2-CB 4.23Å; I446-V477 HydrophobicContact CD1-CG1 4.18Å; I446-V477 HydrophobicContact CD1-CG2 4.03Å; I446-V477 HydrophobicContact CG1-CG2 4Å; I446-V477 HydrophobicContact CG2-CG2 3.9Å
447L97.9Very high95.8Very high7 Ų735 Ų354%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-119.6142.4-173.1-59.8178.5000111.8F381 V445 G449 T451 V453 Y454 C471 V472 V474F381-L447 HydrophobicContact CB-CD2 4.2Å; V445-L447 HydrophobicContact CG1-CD2 3.88Å; V445-L447 HydrophobicContact CG1-CG 4.41Å; L447-G449 PolarHBondContact O-N 3.3Å; L447-G449 VanDerWaalsContact O-N 3.14Å; L447-T451 HydrophobicContact CB-CG2 4.19Å; L447-T451 HydrophobicContact CD1-CG2 4.38Å; L447-T451 HydrophobicContact CD2-CG2 4.16Å; L447-T451 HydrophobicContact CG-CG2 4.48Å; L447-V453 HydrophobicContact CD2-CB 4.12Å; L447-V453 HydrophobicContact CD2-CG1 3.66Å; L447-Y454 HydrophobicContact CD1-CD2 3.88Å; L447-Y454 HydrophobicContact CD1-CG 4.4Å; L447-C471 HydrophobicContact CD1-CB 3.91Å; L447-V472 PolarHBondContact N-O 3.36Å; L447-V474 PolarHBondContact O-N 3.19Å
448P94.9Very high95.9Very high52 Ų5232.2 Ų32.234%0.33819%0.192SC..SBendtrans-72.4-3-178.329.1-35.1000114.4A382 T451A382-P448 HydrophobicContact CB-CB 4.37Å; P448-T451 HydrophobicContact CG-CG2 4.49Å
449G91.8Very high95.9Very high23 Ų2328.1 Ų28.124%0.23716%0.161CC..SBendtrans144.7-137.3-175.700000111.3L447L447-G449 PolarHBondContact O-N 3.3Å; L447-G449 VanDerWaalsContact O-N 3.14Å
450K87.2Confident96Very high126 Ų12625.5 Ų25.555%0.54813%0.134SC..SBendtrans-77120.2169.4-171.9177.5178.9-177.90108D281D281-K450 IonicContact OD2-NZ 2.79Å; D281-K450 PolarHBondContact OD2-NZ 2.92Å
451T90.1Very high96Very high32 Ų3224 Ų2420%0.19613%0.126CC..  trans-154147-174.1172.60000110.1L447 P448 V453 Y454L447-T451 HydrophobicContact CB-CG2 4.19Å; L447-T451 HydrophobicContact CD1-CG2 4.38Å; L447-T451 HydrophobicContact CD2-CG2 4.16Å; L447-T451 HydrophobicContact CG-CG2 4.48Å; P448-T451 HydrophobicContact CG-CG2 4.49Å; T451-V453 HydrophobicContact CG2-CB 3.93Å; T451-V453 HydrophobicContact CG2-CG2 4.48Å; T451-V453 PolarHBondContact O-N 3.32Å; T451-V453 WeakPolarHBondContact OG1-CG2 3.26Å; T451-V453 PolarHBondContact OG1-N 3Å; T451-Y454 PolarHBondContact O-N 3.3Å
452P89.5Confident96Very high59 Ų5921.6 Ų21.638%0.38312%0.115SC..THydrogen-bonded Turntrans-59.7-23.7173.723.5-33.4000112.9Y454 A455 E456 S759P452-Y454 PolarHBondContact O-N 3.42Å; P452-Y454 VanDerWaalsContact O-N 3.09Å; P452-A455 PolarHBondContact O-N 2.74Å; P452-E456 PolarHBondContact O-N 3.21Å; P452-S759 WeakPolarHBondContact CB-OG 3.46Å; P452-S759 WeakPolarHBondContact CD-OG 3.46Å
453V95.4Very high95.8Very high5 Ų522.7 Ų22.73%0.0312%0.122CC..Hα-helixtrans-53.8-33.3177.7178.90000112F381 V426 L447 T451 A455 E456 V457F381-V453 HydrophobicContact CB-CG1 4.23Å; F381-V453 HydrophobicContact CD1-CG1 3.62Å; F381-V453 HydrophobicContact CD1-CG2 4.22Å; F381-V453 HydrophobicContact CD2-CG1 4.13Å; F381-V453 HydrophobicContact CE1-CG1 3.91Å; F381-V453 HydrophobicContact CE2-CG1 4.41Å; F381-V453 HydrophobicContact CG-CG1 3.74Å; F381-V453 HydrophobicContact CZ-CG1 4.32Å; V426-V453 HydrophobicContact CG2-CG1 3.92Å; L447-V453 HydrophobicContact CD2-CB 4.12Å; L447-V453 HydrophobicContact CD2-CG1 3.66Å; T451-V453 HydrophobicContact CG2-CB 3.93Å; T451-V453 HydrophobicContact CG2-CG2 4.48Å; T451-V453 PolarHBondContact O-N 3.32Å; T451-V453 WeakPolarHBondContact OG1-CG2 3.26Å; T451-V453 PolarHBondContact OG1-N 3Å; V453-A455 PolarHBondContact O-N 3.06Å; V453-E456 PolarHBondContact O-N 2.8Å; V453-V457 HydrophobicContact CG1-CG2 3.95Å; V453-V457 WeakPolarHBondContact O-CB 3.36Å; V453-V457 WeakPolarHBondContact O-CG2 3.39Å; V453-V457 PolarHBondContact O-N 3.31Å
454Y96.8Very high95.7Very high66 Ų6625.7 Ų25.726%0.25914%0.137SC..Hα-helixtrans-60.5-45.8177.4178.3-93.6000112.3L447 T451 P452 E456 V457 K458 C471 Y750L447-Y454 HydrophobicContact CD1-CD2 3.88Å; L447-Y454 HydrophobicContact CD1-CG 4.4Å; T451-Y454 PolarHBondContact O-N 3.3Å; P452-Y454 PolarHBondContact O-N 3.42Å; P452-Y454 VanDerWaalsContact O-N 3.09Å; Y454-E456 VanDerWaalsContact C-N 3.34Å; Y454-V457 PolarHBondContact O-N 3.07Å; Y454-K458 HydrophobicContact CD1-CG 4.47Å; Y454-K458 HydrophobicContact CE1-CG 4.02Å; Y454-K458 HydrophobicContact CE2-CG 4.37Å; Y454-K458 WeakPolarHBondContact O-CG 3.38Å; Y454-K458 PolarHBondContact O-N 3.32Å; Y454-K458 VanDerWaalsContact O-N 3.15Å; Y454-C471 HydrophobicContact CD2-CB 4.12Å; Y454-C471 HydrophobicContact CE2-CB 4.15Å; Y454-Y750 AromaticContact CD1-CD1 3.85Å; Y454-Y750 HydrophobicContact CD1-CD1 3.85Å; Y454-Y750 AromaticContact CD1-CE1 3.72Å; Y454-Y750 HydrophobicContact CD1-CE1 3.72Å; Y454-Y750 HydrophobicContact CD1-CE2 4.47Å; Y454-Y750 HydrophobicContact CD1-CG 4.28Å; Y454-Y750 HydrophobicContact CE1-CD1 4.01Å; Y454-Y750 AromaticContact CE1-CD2 3.93Å; Y454-Y750 HydrophobicContact CE1-CD2 3.93Å; Y454-Y750 AromaticContact CE1-CE1 3.95Å; Y454-Y750 HydrophobicContact CE1-CE1 3.95Å; Y454-Y750 AromaticContact CE1-CE2 3.86Å; Y454-Y750 HydrophobicContact CE1-CE2 3.86Å; Y454-Y750 AromaticContact CE1-CG 4Å; Y454-Y750 HydrophobicContact CE1-CG 4Å; Y454-Y750 AromaticContact CE1-CZ 3.87Å
455A95.5Very high95.7Very high11 Ų1126.6 Ų26.69%0.09114%0.142CC..Hα-helixtrans-64-44.6-179.400000110.2P452 V453 K458 R459 Y750 V753P452-A455 PolarHBondContact O-N 2.74Å; V453-A455 PolarHBondContact O-N 3.06Å; A455-K458 PolarHBondContact O-N 3.44Å; A455-R459 PolarHBondContact O-N 3.34Å; A455-Y750 HydrophobicContact CB-CD1 4.04Å; A455-V753 HydrophobicContact CB-CB 4.19Å; A455-V753 HydrophobicContact CB-CG1 4.41Å; A455-V753 HydrophobicContact CB-CG2 4.43Å
456E96.7Very high95.6Very high11 Ų1127.3 Ų27.35%0.05115%0.15CC..Hα-helixtrans-65.5-41.2179.3-175.764.3179.600112.5A423 V426 P452 V453 Y454 K458 R459 V460 K755A423-E456 HydrophobicContact CB-CB 4.03Å; A423-E456 HydrophobicContact CB-CG 4.2Å; V426-E456 HydrophobicContact CB-CG 3.82Å; V426-E456 HydrophobicContact CG1-CG 4.13Å; V426-E456 HydrophobicContact CG2-CB 4.4Å; V426-E456 HydrophobicContact CG2-CG 4.04Å; P452-E456 PolarHBondContact O-N 3.21Å; V453-E456 PolarHBondContact O-N 2.8Å; Y454-E456 VanDerWaalsContact C-N 3.34Å; E456-K458 VanDerWaalsContact C-N 3.25Å; E456-K458 PolarHBondContact O-N 3.03Å; E456-R459 PolarHBondContact O-N 3.24Å; E456-R459 IonicContact OE1-CZ 3.35Å; E456-R459 IonicContact OE1-NE 2.73Å; E456-R459 IonicContact OE1-NH2 3.57Å; E456-R459 PolarHBondContact OE1-NH2 3.27Å; E456-R459 IonicContact OE2-CZ 2.98Å; E456-R459 IonicContact OE2-NE 3.57Å; E456-R459 PolarHBondContact OE2-NE 3.09Å; E456-R459 IonicContact OE2-NH2 3.12Å; E456-R459 PolarHBondContact OE2-NH2 3.12Å; E456-V460 HydrophobicContact CG-CG2 4.17Å; E456-V460 WeakPolarHBondContact O-CB 3.47Å; E456-V460 VanDerWaalsContact O-CG2 3.31Å; E456-V460 WeakPolarHBondContact O-CG2 3.16Å; E456-V460 PolarHBondContact O-N 3.29Å; E456-V460 WeakPolarHBondContact OE1-CG2 3.3Å; E456-K755 VanDerWaalsContact CD-CE 3.5Å; E456-K755 WeakPolarHBondContact OE1-CE 3.42Å; E456-K755 IonicContact OE1-NZ 3.75Å; E456-K755 PolarHBondContact OE1-NZ 3.13Å; E456-K755 WeakPolarHBondContact OE2-CE 3.31Å
457V98.1Very high95.6Very high0 Ų028.2 Ų28.20%015%0.154CC..Hα-helixtrans-57.4-40173.2166.30000111.5V426 F430 V445 V453 Y454 G461 T469V426-V457 HydrophobicContact CG1-CB 4.44Å; V426-V457 HydrophobicContact CG1-CG2 3.86Å; V426-V457 HydrophobicContact CG2-CG2 3.93Å; F430-V457 HydrophobicContact CE2-CG1 4.29Å; F430-V457 HydrophobicContact CZ-CG1 4.09Å; F430-V457 HydrophobicContact CZ-CG2 4.38Å; V445-V457 HydrophobicContact CG1-CG2 4.02Å; V445-V457 HydrophobicContact CG2-CG1 4Å; V453-V457 HydrophobicContact CG1-CG2 3.95Å; V453-V457 WeakPolarHBondContact O-CB 3.36Å; V453-V457 WeakPolarHBondContact O-CG2 3.39Å; V453-V457 PolarHBondContact O-N 3.31Å; Y454-V457 PolarHBondContact O-N 3.07Å; V457-G461 WeakPolarHBondContact O-CA 3.42Å; V457-G461 PolarHBondContact O-N 3.47Å; V457-T469 HydrophobicContact CG1-CG2 4.13Å
458K97.8Very high95.6Very high3 Ų329.3 Ų29.31%0.01316%0.164CC..Hα-helixtrans-76.1-35.8178.4-65-47.1179.7-175.20113.1Y454 A455 E456 D462 T469 H751Y454-K458 HydrophobicContact CD1-CG 4.47Å; Y454-K458 HydrophobicContact CE1-CG 4.02Å; Y454-K458 HydrophobicContact CE2-CG 4.37Å; Y454-K458 WeakPolarHBondContact O-CG 3.38Å; Y454-K458 PolarHBondContact O-N 3.32Å; Y454-K458 VanDerWaalsContact O-N 3.15Å; A455-K458 PolarHBondContact O-N 3.44Å; E456-K458 VanDerWaalsContact C-N 3.25Å; E456-K458 PolarHBondContact O-N 3.03Å; K458-D462 WeakPolarHBondContact O-CA 3.5Å; K458-D462 WeakPolarHBondContact O-CB 3.27Å; K458-D462 PolarHBondContact O-N 3.32Å; K458-T469 PolarHBondContact NZ-O 3.2Å; K458-T469 PolarHBondContact NZ-OG1 3.27Å; K458-H751 PolarHBondContact O-NE2 3.02Å
459R96.4Very high95.8Very high51 Ų5127 Ų2719%0.19215%0.149CC..Iπ-helixtrans-62.9-56.2172.2-169.3-165.769.478.80.6110.2E427 A455 E456 G461 T463 L464E427-R459 IonicContact OE2-CZ 2.71Å; E427-R459 IonicContact OE2-NH2 3.57Å; E427-R459 PolarHBondContact OE2-NH2 3.05Å; A455-R459 PolarHBondContact O-N 3.34Å; E456-R459 PolarHBondContact O-N 3.24Å; E456-R459 IonicContact OE1-CZ 3.35Å; E456-R459 IonicContact OE1-NE 2.73Å; E456-R459 IonicContact OE1-NH2 3.57Å; E456-R459 PolarHBondContact OE1-NH2 3.27Å; E456-R459 IonicContact OE2-CZ 2.98Å; E456-R459 IonicContact OE2-NE 3.57Å; E456-R459 PolarHBondContact OE2-NE 3.09Å; E456-R459 IonicContact OE2-NH2 3.12Å; E456-R459 PolarHBondContact OE2-NH2 3.12Å; R459-G461 PolarHBondContact O-N 3.19Å; R459-T463 PolarHBondContact O-N 2.98Å; R459-T463 PolarHBondContact O-OG1 3.5Å; R459-L464 PolarHBondContact O-N 2.97Å
460V97.5Very high96.1Very high0 Ų026.3 Ų26.30%014%0.14CC..Iπ-helixtrans-61.7-46.1-178.5176.80000111.3V426 E427 F430 E456 L464 L465V426-V460 HydrophobicContact CG1-CB 4.08Å; V426-V460 HydrophobicContact CG1-CG1 4.43Å; V426-V460 HydrophobicContact CG1-CG2 4.01Å; E427-V460 HydrophobicContact CB-CG1 4.39Å; E427-V460 HydrophobicContact CB-CG2 3.81Å; E427-V460 HydrophobicContact CG-CG1 4.43Å; E427-V460 HydrophobicContact CG-CG2 4.26Å; F430-V460 HydrophobicContact CB-CG1 3.84Å; F430-V460 HydrophobicContact CD2-CB 4.3Å; F430-V460 HydrophobicContact CD2-CG1 3.65Å; F430-V460 HydrophobicContact CG-CG1 4.07Å; E456-V460 HydrophobicContact CG-CG2 4.17Å; E456-V460 WeakPolarHBondContact O-CB 3.47Å; E456-V460 VanDerWaalsContact O-CG2 3.31Å; E456-V460 WeakPolarHBondContact O-CG2 3.16Å; E456-V460 PolarHBondContact O-N 3.29Å; E456-V460 WeakPolarHBondContact OE1-CG2 3.3Å; V460-L464 HydrophobicContact CG1-CD2 4.48Å; V460-L464 PolarHBondContact O-N 3.24Å; V460-L465 HydrophobicContact CG1-CD1 3.63Å; V460-L465 HydrophobicContact CG1-CG 4.06Å; V460-L465 WeakPolarHBondContact O-CB 3.36Å; V460-L465 PolarHBondContact O-N 2.93Å
461G97.9Very high96.6Very high0 Ų021.2 Ų21.20%012%0.12CC..Iπ-helixtrans-68-54-179.700000113.2V457 R459 G466 M467V457-G461 WeakPolarHBondContact O-CA 3.42Å; V457-G461 PolarHBondContact O-N 3.47Å; R459-G461 PolarHBondContact O-N 3.19Å; G461-G466 CarbonylContact O-C 3.52Å; G461-G466 WeakPolarHBondContact O-CA 3.31Å; G461-G466 PolarHBondContact O-N 3.13Å; G461-M467 PolarHBondContact O-N 3.02Å
462D98Very high97Very high4 Ų420.2 Ų20.22%0.02111%0.114CC..Iπ-helixtrans-84.3-33-168.9-48.9-26.5000112.8K458 R747 H751 I783 H784 T787 Y792K458-D462 WeakPolarHBondContact O-CA 3.5Å; K458-D462 WeakPolarHBondContact O-CB 3.27Å; K458-D462 PolarHBondContact O-N 3.32Å; D462-R747 IonicContact OD1-NH1 2.99Å; D462-R747 WeakPolarHBondContact OD2-CD 3.1Å; D462-R747 IonicContact OD2-CZ 3.76Å; D462-R747 IonicContact OD2-NE 3.41Å; D462-R747 IonicContact OD2-NH1 3.49Å; D462-R747 PolarHBondContact OD2-NH1 2.79Å; D462-H751 IonicContact OD2-CE1 2.72Å; D462-H751 IonicContact OD2-NE2 3.71Å; D462-H751 PolarHBondContact OD2-NE2 3.42Å; D462-I783 HydrophobicContact CB-CD1 4.4Å; D462-I783 WeakPolarHBondContact O-CG2 3.45Å; D462-H784 PolarHBondContact O-N 3.34Å; D462-T787 HydrophobicContact CB-CG2 4.4Å; D462-Y792 HydrophobicContact CB-CD2 3.93Å; D462-Y792 HydrophobicContact CB-CE2 4.41Å
463T95.9Very high97.4Very high26 Ų2621.1 Ų21.116%0.1611%0.113CC..Iπ-helixtrans-109.6-37.2-171.975.40000113.9R459 H751 Q782 I783 H784R459-T463 PolarHBondContact O-N 2.98Å; R459-T463 PolarHBondContact O-OG1 3.5Å; T463-H751 HydrophobicContact CG2-CB 4.46Å; T463-Q782 VanDerWaalsContact CB-O 3.3Å; T463-Q782 WeakPolarHBondContact CB-O 3.43Å; T463-Q782 WeakPolarHBondContact CG2-O 3.09Å; T463-I783 HydrophobicContact CG2-CD1 4.18Å; T463-H784 WeakPolarHBondContact O-CB 3.26Å
464L96.3Very high97.5Very high63 Ų6321.1 Ų21.133%0.3311%0.113SC..Iπ-helixtrans-89.9-49.7-174.2-17564.3000113.7E427 R459 V460 H784E427-L464 VanDerWaalsContact CD-CD2 3.43Å; E427-L464 HydrophobicContact CG-CD2 3.78Å; R459-L464 PolarHBondContact O-N 2.97Å; V460-L464 HydrophobicContact CG1-CD2 4.48Å; V460-L464 PolarHBondContact O-N 3.24Å; L464-H784 PolarHBondContact O-CD2 2.94Å; L464-H784 VanDerWaalsContact O-CD2 3.25Å
465L97.6Very high97.5Very high19 Ų1924.1 Ų24.110%0.09913%0.127CC..Iπ-helixtrans-113.8-13.1-169.6-59.8-179.4000113.9F430 K431 K434 V460 M467F430-L465 HydrophobicContact CB-CD1 3.57Å; K431-L465 HydrophobicContact CG-CD1 3.99Å; K431-L465 HydrophobicContact CG-CD2 4.08Å; K434-L465 HydrophobicContact CD-CB 4.31Å; K434-L465 PolarHBondContact NZ-O 3.22Å; V460-L465 HydrophobicContact CG1-CD1 3.63Å; V460-L465 HydrophobicContact CG1-CG 4.06Å; V460-L465 WeakPolarHBondContact O-CB 3.36Å; V460-L465 PolarHBondContact O-N 2.93Å; L465-M467 HydrophobicContact CB-CG 3.92Å; L465-M467 HydrophobicContact CB-SD 4Å; L465-M467 HydrophobicContact CD1-SD 4.1Å
466G97.5Very high97.6Very high15 Ų1526 Ų2616%0.15514%0.136CC..  trans63.547.6179.200000114.3G461 H784 T787G461-G466 CarbonylContact O-C 3.52Å; G461-G466 WeakPolarHBondContact O-CA 3.31Å; G461-G466 PolarHBondContact O-N 3.13Å; G466-H784 WeakPolarHBondContact CA-ND1 3.49Å; G466-T787 WeakPolarHBondContact CA-OG1 3.27Å
467M98.1Very high97.6Very high19 Ų1925.7 Ų25.79%0.09413%0.134CC..  trans-115.5132.9-175.7-58.7179.879.800111.3F430 L433 K434 L440 I443 G461 L465 T469F430-M467 HydrophobicContact CB-SD 4.25Å; L433-M467 HydrophobicContact CB-CE 4.38Å; K434-M467 HydrophobicContact CB-CE 3.9Å; K434-M467 HydrophobicContact CB-SD 3.84Å; K434-M467 HydrophobicContact CD-CG 4.36Å; K434-M467 HydrophobicContact CD-SD 4.28Å; K434-M467 HydrophobicContact CG-CE 4.49Å; K434-M467 HydrophobicContact CG-SD 4.36Å; L440-M467 HydrophobicContact CD2-CE 3.42Å; L440-M467 VanDerWaalsContact CD2-CE 3.42Å; L440-M467 HydrophobicContact CG-CE 4.29Å; I443-M467 HydrophobicContact CD1-CE 3.6Å; I443-M467 HydrophobicContact CD1-SD 4.19Å; I443-M467 HydrophobicContact CG1-CE 4.35Å; G461-M467 PolarHBondContact O-N 3.02Å; L465-M467 HydrophobicContact CB-CG 3.92Å; L465-M467 HydrophobicContact CB-SD 4Å; L465-M467 HydrophobicContact CD1-SD 4.1Å; M467-T469 PolarHBondContact O-N 2.76Å
468A98.4Very high97.5Very high31 Ų3129 Ų2926%0.25615%0.154SC..  trans-69.4124177.800000111.3Q441 L442 I443 L496Q441-A468 WeakPolarHBondContact O-CB 3.37Å; L442-A468 HydrophobicContact CD1-CB 4.45Å; I443-A468 PolarHBondContact N-O 2.6Å; A468-L496 HydrophobicContact CB-CD2 3.83Å
469T98.7Very high97.4Very high2 Ų237.1 Ų37.11%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-124.6135.7-178.256.70000112.4F430 I443 V457 K458 M467 K495F430-T469 HydrophobicContact CE2-CG2 3.52Å; F430-T469 HydrophobicContact CZ-CG2 3.91Å; I443-T469 HydrophobicContact CB-CG2 4.41Å; I443-T469 WeakPolarHBondContact O-CA 3.22Å; V457-T469 HydrophobicContact CG1-CG2 4.13Å; K458-T469 PolarHBondContact NZ-O 3.2Å; K458-T469 PolarHBondContact NZ-OG1 3.27Å; M467-T469 PolarHBondContact O-N 2.76Å; T469-K495 PolarHBondContact O-NZ 3.37Å
470Q98.7Very high97.4Very high10 Ų1036.2 Ų36.25%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-123.7105.3174.4-178.552.455.900111.2L442 I443 V444 V445 L488 I492L442-Q470 HydrophobicContact CD1-CB 4.04Å; I443-Q470 PolarHBondContact O-N 3.27Å; V444-Q470 CarbonylContact C-O 3.55Å; V444-Q470 WeakPolarHBondContact CA-O 3.2Å; V445-Q470 PolarHBondContact N-O 3.25Å; Q470-L488 VanDerWaalsContact CD-CD1 3.47Å; Q470-L488 HydrophobicContact CG-CD1 3.47Å; Q470-L488 VanDerWaalsContact CG-CD1 3.47Å; Q470-L488 HydrophobicContact CG-CG 4.22Å; Q470-I492 HydrophobicContact CB-CG1 4.15Å; Q470-I492 HydrophobicContact CG-CD1 4.2Å; Q470-I492 HydrophobicContact CG-CG1 3.83Å
471C98.6Very high97.3Very high19 Ų1938.2 Ų38.213%0.12820%0.204CC..EExtended strand (participates in β ladder)trans-82141.7178.2-50.60000111.6V445 L447 Y454V445-C471 CarbonylContact O-C 3.57Å; V445-C471 WeakPolarHBondContact O-CA 3.5Å; L447-C471 HydrophobicContact CD1-CB 3.91Å; Y454-C471 HydrophobicContact CD2-CB 4.12Å; Y454-C471 HydrophobicContact CE2-CB 4.15Å
472V98.4Very high97.2Very high11 Ų1142.5 Ų42.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-134134.8176.5-171.50000108.8F395 V444 V445 I446 L447 N476 V477 L488F395-V472 HydrophobicContact CE2-CG1 4.45Å; F395-V472 HydrophobicContact CZ-CG2 4.32Å; V444-V472 HydrophobicContact CG1-CG2 4.24Å; V445-V472 PolarHBondContact O-N 3.15Å; I446-V472 WeakPolarHBondContact CA-O 3.33Å; L447-V472 PolarHBondContact N-O 3.36Å; V472-N476 HydrophobicContact CG1-CB 4.03Å; V472-V477 HydrophobicContact CB-CG2 4.33Å; V472-V477 HydrophobicContact CG1-CG2 3.83Å; V472-L488 HydrophobicContact CG2-CD1 3.97Å; V472-L488 HydrophobicContact CG2-CD2 3.74Å
473Q97.3Very high97Very high77 Ų7747.2 Ų47.236%0.3625%0.254SS..EExtended strand (participates in β ladder)trans-72.9140173.7-71-172-26.800110.3K475 N476 V477Q473-K475 HydrophobicContact CB-CG 4.17Å; Q473-K475 PolarHBondContact O-N 3.02Å; Q473-K475 VanDerWaalsContact O-N 3.12Å; Q473-N476 WeakPolarHBondContact O-CB 3.29Å; Q473-N476 PolarHBondContact O-N 2.99Å; Q473-V477 PolarHBondContact O-N 3.31Å
474V97.5Very high97Very high5 Ų548.5 Ų48.53%0.0326%0.261CS..Hα-helixtrans-52.5-37.7-178.565.20000113A382 Q386 C387 I446 L447 N476 V477 V478A382-V474 HydrophobicContact CB-CB 3.92Å; A382-V474 HydrophobicContact CB-CG2 3.77Å; Q386-V474 HydrophobicContact CG-CG2 4.15Å; C387-V474 HydrophobicContact CB-CG2 3.65Å; I446-V474 HydrophobicContact CG2-CB 4.23Å; L447-V474 PolarHBondContact O-N 3.19Å; V474-N476 PolarHBondContact O-N 3.36Å; V474-N476 VanDerWaalsContact O-N 3.15Å; V474-V477 WeakPolarHBondContact O-CA 3.41Å; V474-V477 WeakPolarHBondContact O-CB 3.44Å; V474-V477 PolarHBondContact O-N 3.07Å; V474-V478 HydrophobicContact CG2-CG2 3.97Å; V474-V478 WeakPolarHBondContact O-CG2 3.41Å; V474-V478 PolarHBondContact O-N 2.89Å
475K96.3Very high97.1Very high130 Ų13045.6 Ų45.657%0.56525%0.246SC*.Hα-helixtrans-57.6-31.2176.769.8-179.7-172.6-1670113.7Q473 K479Q473-K475 HydrophobicContact CB-CG 4.17Å; Q473-K475 PolarHBondContact O-N 3.02Å; Q473-K475 VanDerWaalsContact O-N 3.12Å; K475-K479 PolarHBondContact O-N 3.38Å
476N97.1Very high97.1Very high51 Ų5145.7 Ų45.727%0.27325%0.248SC..Hα-helixtrans-86.7-10.8178.8-62.2-20000112.7V472 Q473 V474 T484V472-N476 HydrophobicContact CG1-CB 4.03Å; Q473-N476 WeakPolarHBondContact O-CB 3.29Å; Q473-N476 PolarHBondContact O-N 2.99Å; V474-N476 PolarHBondContact O-N 3.36Å; V474-N476 VanDerWaalsContact O-N 3.15Å; N476-T484 HydrophobicContact CB-CG2 4.29Å
477V97.4Very high97.1Very high3 Ų347.4 Ų47.42%0.01825%0.254CS..Hα-helixtrans-88.1-46.1170.9178.50000109.4L392 F395 I446 V472 Q473 V474L392-V477 HydrophobicContact CD2-CG1 4.22Å; F395-V477 HydrophobicContact CB-CG1 3.69Å; F395-V477 HydrophobicContact CD1-CG1 4.32Å; F395-V477 HydrophobicContact CD2-CB 4.31Å; F395-V477 HydrophobicContact CD2-CG1 4.23Å; F395-V477 HydrophobicContact CD2-CG2 4.17Å; F395-V477 HydrophobicContact CE2-CG2 4.28Å; F395-V477 HydrophobicContact CG-CB 4.39Å; F395-V477 HydrophobicContact CG-CG1 3.82Å; F395-V477 HydrophobicContact CG-CG2 4.37Å; I446-V477 HydrophobicContact CD1-CG1 4.18Å; I446-V477 HydrophobicContact CD1-CG2 4.03Å; I446-V477 HydrophobicContact CG1-CG2 4Å; I446-V477 HydrophobicContact CG2-CG2 3.9Å; V472-V477 HydrophobicContact CB-CG2 4.33Å; V472-V477 HydrophobicContact CG1-CG2 3.83Å; Q473-V477 PolarHBondContact O-N 3.31Å; V474-V477 WeakPolarHBondContact O-CA 3.41Å; V474-V477 WeakPolarHBondContact O-CB 3.44Å; V474-V477 PolarHBondContact O-N 3.07Å
478V96.4Very high97.1Very high69 Ų6947.3 Ų47.342%0.41825%0.254SS..Hα-helixtrans-62.8-45.6176.81760000110.8L391 V474L391-V478 HydrophobicContact CD1-CG1 4.41Å; L391-V478 HydrophobicContact CD1-CG2 4.11Å; V474-V478 HydrophobicContact CG2-CG2 3.97Å; V474-V478 WeakPolarHBondContact O-CG2 3.41Å; V474-V478 PolarHBondContact O-N 2.89Å
479K95.7Very high97.1Very high175 Ų17545.8 Ų45.876%0.76124%0.242SC*.SBendtrans-121.491.1177-168.3174-175.71740109.9K475K475-K479 PolarHBondContact O-N 3.38Å
480T95.2Very high97.1Very high31 Ų3145.8 Ų45.819%0.1924%0.241CC..  trans-74.5151175.748.80000111.6F395 Q398 L485F395-T480 HydrophobicContact CB-CG2 4.35Å; F395-T480 HydrophobicContact CD2-CG2 3.75Å; Q398-T480 VanDerWaalsContact CD-OG1 3.3Å; Q398-T480 PolarHBondContact NE2-OG1 3.34Å; Q398-T480 PolarHBondContact OE1-OG1 2.99Å; T480-L485 HydrophobicContact CG2-CD1 4.36Å; T480-L485 HydrophobicContact CG2-CD2 4.37Å
481S96.7Very high97.1Very high42 Ų4246.8 Ų46.829%0.29425%0.246SC..  trans-136.9144.1165.274.70000109.7Q483 T484 L485S481-Q483 PolarHBondContact O-N 3.16Å; S481-T484 PolarHBondContact O-N 3.24Å; S481-T484 VanDerWaalsContact O-N 3.07Å; S481-T484 WeakPolarHBondContact OG-CB 3.48Å; S481-T484 PolarHBondContact OG-N 3Å; S481-T484 PolarHBondContact OG-OG1 2.81Å; S481-L485 WeakPolarHBondContact O-CG 3.25Å; S481-L485 PolarHBondContact O-N 2.93Å
482P96Very high97.1Very high90 Ų9045.9 Ų45.958%0.58424%0.24SC*.Hα-helixtrans-54.9-38.5179.4-2835.5000112.9I402 L485 S486I402-P482 HydrophobicContact CD1-CB 4.16Å; P482-L485 PolarHBondContact O-N 3.44Å; P482-S486 VanDerWaalsContact O-CB 3.26Å; P482-S486 WeakPolarHBondContact O-CB 3.39Å; P482-S486 PolarHBondContact O-N 3.44Å
483Q94.1Very high97.1Very high104 Ų10445.4 Ų45.449%0.48624%0.236SC..Hα-helixtrans-63.8-43.7177.3-175.661.457.200112.6S481 N487S481-Q483 PolarHBondContact O-N 3.16Å; Q483-N487 PolarHBondContact NE2-ND2 3.41Å; Q483-N487 PolarHBondContact NE2-OD1 2.92Å; Q483-N487 WeakPolarHBondContact O-CB 3.48Å; Q483-N487 PolarHBondContact O-N 3.03Å; Q483-N487 PolarHBondContact O-ND2 2.81Å
484T95.6Very high97.1Very high52 Ų5241.8 Ų41.832%0.31922%0.22SC..Hα-helixtrans-66.6-42.2178.3-65.50000110.9N476 S481 N487 L488N476-T484 HydrophobicContact CB-CG2 4.29Å; S481-T484 PolarHBondContact O-N 3.24Å; S481-T484 VanDerWaalsContact O-N 3.07Å; S481-T484 WeakPolarHBondContact OG-CB 3.48Å; S481-T484 PolarHBondContact OG-N 3Å; S481-T484 PolarHBondContact OG-OG1 2.81Å; T484-N487 PolarHBondContact O-N 2.95Å; T484-L488 WeakPolarHBondContact O-CB 3.46Å; T484-L488 PolarHBondContact O-N 3.18Å
485L97.8Very high97.2Very high2 Ų242.2 Ų42.21%0.0122%0.221CC..Hα-helixtrans-66.9-41177.4-64.2178.7000111.8F395 Q398 L399 I402 T480 S481 P482 N487 L488 C489F395-L485 HydrophobicContact CD2-CD2 4.07Å; F395-L485 HydrophobicContact CE2-CD2 3.62Å; Q398-L485 HydrophobicContact CB-CD1 3.69Å; L399-L485 HydrophobicContact CB-CD2 4.46Å; L399-L485 HydrophobicContact CD1-CD2 4.29Å; I402-L485 HydrophobicContact CB-CB 4.3Å; I402-L485 HydrophobicContact CG1-CB 4.19Å; I402-L485 HydrophobicContact CG1-CD1 4.24Å; I402-L485 HydrophobicContact CG2-CB 4.18Å; T480-L485 HydrophobicContact CG2-CD1 4.36Å; T480-L485 HydrophobicContact CG2-CD2 4.37Å; S481-L485 WeakPolarHBondContact O-CG 3.25Å; S481-L485 PolarHBondContact O-N 2.93Å; P482-L485 PolarHBondContact O-N 3.44Å; L485-N487 PolarHBondContact O-N 3.21Å; L485-L488 WeakPolarHBondContact O-CA 3.32Å; L485-L488 VanDerWaalsContact O-CB 3.26Å; L485-L488 WeakPolarHBondContact O-CB 3.35Å; L485-L488 PolarHBondContact O-N 2.8Å; L485-C489 PolarHBondContact O-N 3.21Å; L485-C489 PolarHBondContact O-SG 2.93Å; L485-C489 VanDerWaalsContact O-SG 3.34Å
486S97.7Very high97.2Very high21 Ų2137.7 Ų37.715%0.14720%0.203CC..Hα-helixtrans-60.2-47.3174.5178.20000111.3P482 L488 C489 L490P482-S486 VanDerWaalsContact O-CB 3.26Å; P482-S486 WeakPolarHBondContact O-CB 3.39Å; P482-S486 PolarHBondContact O-N 3.44Å; S486-L488 PolarHBondContact O-N 3Å; S486-C489 WeakPolarHBondContact O-CB 3.48Å; S486-C489 PolarHBondContact O-N 3.4Å; S486-C489 VanDerWaalsContact O-N 3.11Å; S486-L490 WeakPolarHBondContact O-CG 3.23Å; S486-L490 PolarHBondContact O-N 2.97Å
487N97.3Very high97.1Very high52 Ų5237.1 Ų37.128%0.27821%0.21SC..Hα-helixtrans-62.6-28.2173.9-72.8-17.2000113Q483 T484 L485 L490Q483-N487 PolarHBondContact NE2-ND2 3.41Å; Q483-N487 PolarHBondContact NE2-OD1 2.92Å; Q483-N487 WeakPolarHBondContact O-CB 3.48Å; Q483-N487 PolarHBondContact O-N 3.03Å; Q483-N487 PolarHBondContact O-ND2 2.81Å; T484-N487 PolarHBondContact O-N 2.95Å; L485-N487 PolarHBondContact O-N 3.21Å; N487-L490 WeakPolarHBondContact O-CB 3.38Å
488L98.2Very high97.1Very high16 Ų1637.2 Ų37.28%0.08421%0.211CC..Hα-helixtrans-69.7-44.6173.3-169.264.3000110.8F395 L399 Q470 V472 T484 L485 S486 L490 K491 I492F395-L488 HydrophobicContact CE2-CD2 4.44Å; F395-L488 HydrophobicContact CZ-CD2 4.08Å; L399-L488 HydrophobicContact CD1-CD2 4.1Å; L399-L488 HydrophobicContact CD2-CD2 4.39Å; Q470-L488 VanDerWaalsContact CD-CD1 3.47Å; Q470-L488 HydrophobicContact CG-CD1 3.47Å; Q470-L488 VanDerWaalsContact CG-CD1 3.47Å; Q470-L488 HydrophobicContact CG-CG 4.22Å; V472-L488 HydrophobicContact CG2-CD1 3.97Å; V472-L488 HydrophobicContact CG2-CD2 3.74Å; T484-L488 WeakPolarHBondContact O-CB 3.46Å; T484-L488 PolarHBondContact O-N 3.18Å; L485-L488 WeakPolarHBondContact O-CA 3.32Å; L485-L488 VanDerWaalsContact O-CB 3.26Å; L485-L488 WeakPolarHBondContact O-CB 3.35Å; L485-L488 PolarHBondContact O-N 2.8Å; S486-L488 PolarHBondContact O-N 3Å; L488-L490 VanDerWaalsContact C-N 3.31Å; L488-L490 PolarHBondContact O-N 3.5Å; L488-K491 PolarHBondContact O-N 3.37Å; L488-K491 VanDerWaalsContact O-N 3.14Å; L488-I492 HydrophobicContact CD2-CD1 4.49Å; L488-I492 HydrophobicContact CG-CD1 3.99Å; L488-I492 WeakPolarHBondContact O-CG1 3.4Å; L488-I492 PolarHBondContact O-N 3.01Å
489C98.6Very high97.2Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-59.7-39.3175.4-65.60000112.1F367 M408 L485 S486 K491 I492 N493F367-C489 HydrophobicContact CE2-CB 4.32Å; F367-C489 HydrophobicContact CZ-CB 4.23Å; M408-C489 HydrophobicContact CE-CB 3.87Å; L485-C489 PolarHBondContact O-N 3.21Å; L485-C489 PolarHBondContact O-SG 2.93Å; L485-C489 VanDerWaalsContact O-SG 3.34Å; S486-C489 WeakPolarHBondContact O-CB 3.48Å; S486-C489 PolarHBondContact O-N 3.4Å; S486-C489 VanDerWaalsContact O-N 3.11Å; C489-K491 PolarHBondContact O-N 3.45Å; C489-I492 PolarHBondContact O-N 3.07Å; C489-N493 WeakPolarHBondContact O-CB 3.19Å; C489-N493 PolarHBondContact O-N 3.47Å
490L98.5Very high97.3Very high2 Ų226.7 Ų26.71%0.0116%0.161CC..Hα-helixtrans-51.3-45174-66.5-175.1000112.1M362 F367 S486 N487 L488 A494 N500 V726M362-L490 HydrophobicContact SD-CD2 3.33Å; M362-L490 WeakPolarHBondContact SD-CD2 3.48Å; M362-L490 HydrophobicContact SD-CG 4.47Å; F367-L490 HydrophobicContact CE1-CD2 3.54Å; F367-L490 HydrophobicContact CZ-CD2 3.97Å; S486-L490 WeakPolarHBondContact O-CG 3.23Å; S486-L490 PolarHBondContact O-N 2.97Å; N487-L490 WeakPolarHBondContact O-CB 3.38Å; L488-L490 VanDerWaalsContact C-N 3.31Å; L488-L490 PolarHBondContact O-N 3.5Å; L490-A494 PolarHBondContact O-N 3.06Å; L490-N500 PolarHBondContact O-ND2 3.25Å; L490-V726 WeakPolarHBondContact CB-O 3.22Å
491K98.5Very high97.4Very high31 Ų3126 Ų2614%0.13516%0.156CC..Hα-helixtrans-74.8-40.3-178.6-65.3166.856.770.60111.9L488 C489 K495 R727 A794L488-K491 PolarHBondContact O-N 3.37Å; L488-K491 VanDerWaalsContact O-N 3.14Å; C489-K491 PolarHBondContact O-N 3.45Å; K491-K495 WeakPolarHBondContact O-CB 3.46Å; K491-K495 WeakPolarHBondContact O-CG 3.4Å; K491-K495 PolarHBondContact O-N 3.07Å; K491-K495 VanDerWaalsContact O-N 3.08Å; K491-R727 HydrophobicContact CG-CG 4.26Å; K491-A794 PolarHBondContact NZ-O 3.12Å; K491-A794 PolarHBondContact NZ-OXT 3.38Å
492I98.8Very high97.5Very high0 Ų024.1 Ų24.10%014%0.142CC..Hα-helixtrans-63.1-49.4179.5-67.7168.1000109.6I373 M408 L442 Q470 L488 C489 A494 K495 L496I373-I492 HydrophobicContact CD1-CG2 3.6Å; M408-I492 HydrophobicContact CE-CB 4.03Å; M408-I492 HydrophobicContact CE-CG2 3.83Å; M408-I492 HydrophobicContact SD-CB 4.05Å; M408-I492 HydrophobicContact SD-CG2 3.71Å; L442-I492 HydrophobicContact CD2-CD1 4.15Å; L442-I492 HydrophobicContact CD2-CG1 4.21Å; L442-I492 HydrophobicContact CD2-CG2 3.7Å; Q470-I492 HydrophobicContact CB-CG1 4.15Å; Q470-I492 HydrophobicContact CG-CD1 4.2Å; Q470-I492 HydrophobicContact CG-CG1 3.83Å; L488-I492 HydrophobicContact CD2-CD1 4.49Å; L488-I492 HydrophobicContact CG-CD1 3.99Å; L488-I492 WeakPolarHBondContact O-CG1 3.4Å; L488-I492 PolarHBondContact O-N 3.01Å; C489-I492 PolarHBondContact O-N 3.07Å; I492-A494 PolarHBondContact O-N 3.37Å; I492-K495 PolarHBondContact O-N 3Å; I492-K495 VanDerWaalsContact O-N 3.16Å; I492-L496 HydrophobicContact CG2-CD1 3.87Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.47Å; I492-L496 PolarHBondContact O-N 3.13Å; I492-L496 VanDerWaalsContact O-N 3.09Å
493N98.6Very high97.5Very high0 Ų019.9 Ų19.90%012%0.115CC..Hα-helixtrans-57.7-48.5-178.7-166.953.4000111.5F367 A369 G370 I371 M408 C489 K495 L496 G497 G498 N500F367-N493 HydrophobicContact CD2-CB 4.1Å; F367-N493 HydrophobicContact CE2-CB 3.83Å; F367-N493 HydrophobicContact CZ-CB 4.11Å; A369-N493 PolarHBondContact O-ND2 3.24Å; A369-N493 VanDerWaalsContact O-ND2 3.14Å; G370-N493 WeakPolarHBondContact CA-OD1 3.24Å; I371-N493 PolarHBondContact N-OD1 3.25Å; M408-N493 HydrophobicContact CG-CB 4.47Å; M408-N493 HydrophobicContact SD-CB 3.61Å; M408-N493 PolarHBondContact SD-N 3.5Å; C489-N493 WeakPolarHBondContact O-CB 3.19Å; C489-N493 PolarHBondContact O-N 3.47Å; N493-K495 PolarHBondContact O-N 2.94Å; N493-L496 PolarHBondContact O-N 3.29Å; N493-G497 PolarHBondContact O-N 2.87Å; N493-G498 WeakPolarHBondContact O-CA 3.31Å; N493-G498 PolarHBondContact O-N 2.81Å; N493-N500 WeakPolarHBondContact CB-OD1 3.43Å; N493-N500 PolarHBondContact ND2-OD1 2.71Å
494A97.8Very high97.6Very high2 Ų215.2 Ų15.22%0.0179%0.093CC..Hα-helixtrans-60.9-39.8177.400000113.3L490 I492 L496 G497 V726 A794L490-A494 PolarHBondContact O-N 3.06Å; I492-A494 PolarHBondContact O-N 3.37Å; A494-L496 VanDerWaalsContact C-N 3.29Å; A494-L496 PolarHBondContact O-N 2.97Å; A494-G497 PolarHBondContact O-N 2.99Å; A494-V726 HydrophobicContact CB-CB 4.2Å; A494-V726 HydrophobicContact CB-CG2 3.87Å; A494-A794 HydrophobicContact CB-CB 4.45Å
495K98.2Very high97.4Very high13 Ų1315.1 Ų15.16%0.0579%0.093CC..Hα-helixtrans-65.8-32.1177.5-79.4174.6177.41740113.4T469 K491 I492 N493 G497 A794T469-K495 PolarHBondContact O-NZ 3.37Å; K491-K495 WeakPolarHBondContact O-CB 3.46Å; K491-K495 WeakPolarHBondContact O-CG 3.4Å; K491-K495 PolarHBondContact O-N 3.07Å; K491-K495 VanDerWaalsContact O-N 3.08Å; I492-K495 PolarHBondContact O-N 3Å; I492-K495 VanDerWaalsContact O-N 3.16Å; N493-K495 PolarHBondContact O-N 2.94Å; K495-G497 VanDerWaalsContact C-N 3.26Å; K495-A794 WeakPolarHBondContact CE-O 3.24Å; K495-A794 HydrophobicContact CG-CB 4.36Å; K495-A794 PolarHBondContact NZ-O 2.88Å
496L97.6Very high97Very high35 Ų3522.3 Ų22.318%0.18313%0.127CC..THydrogen-bonded Turntrans-89.29.3179.2-58.7-179.4000112.7I371 I373 Q441 A468 I492 N493 A494I371-L496 HydrophobicContact CB-CB 4.21Å; I371-L496 HydrophobicContact CG1-CB 4Å; I371-L496 HydrophobicContact CG2-CB 3.97Å; I371-L496 HydrophobicContact CG2-CD1 4.22Å; I373-L496 HydrophobicContact CD1-CD1 3.59Å; I373-L496 HydrophobicContact CG1-CD1 3.65Å; Q441-L496 HydrophobicContact CB-CD2 4.4Å; Q441-L496 WeakPolarHBondContact O-CD2 3.36Å; A468-L496 HydrophobicContact CB-CD2 3.83Å; I492-L496 HydrophobicContact CG2-CD1 3.87Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.47Å; I492-L496 PolarHBondContact O-N 3.13Å; I492-L496 VanDerWaalsContact O-N 3.09Å; N493-L496 PolarHBondContact O-N 3.29Å; A494-L496 VanDerWaalsContact C-N 3.29Å; A494-L496 PolarHBondContact O-N 2.97Å
497G95.3Very high96.7Very high40 Ų4024.9 Ų24.941%0.41214%0.137SC..THydrogen-bonded Turntrans89.95.7174.600000115.4N493 A494 K495N493-G497 PolarHBondContact O-N 2.87Å; A494-G497 PolarHBondContact O-N 2.99Å; K495-G497 VanDerWaalsContact C-N 3.26Å
498G97.1Very high96.5Very high4 Ų425.3 Ų25.34%0.04113%0.134CC..  trans-72.8166.7175.700000113.6A369 N493A369-G498 CarbonylContact O-C 3.58Å; A369-G498 VanDerWaalsContact O-CA 3.26Å; A369-G498 WeakPolarHBondContact O-CA 3.04Å; N493-G498 WeakPolarHBondContact O-CA 3.31Å; N493-G498 PolarHBondContact O-N 2.81Å
499I98.2Very high96.2Very high22 Ų2225.2 Ų25.211%0.11314%0.135CC..BIsolated β-bridgetrans-116.8119.9177.6-60.7176000107.9Y368 A369 V502 R549Y368-I499 HydrophobicContact CD1-CB 4.12Å; Y368-I499 HydrophobicContact CD1-CD1 4.38Å; Y368-I499 HydrophobicContact CD1-CG2 3.77Å; Y368-I499 HydrophobicContact CG-CG2 4.16Å; Y368-I499 PolarHBondContact N-O 2.69Å; Y368-I499 VanDerWaalsContact N-O 3.15Å; A369-I499 HydrophobicContact CB-CB 3.94Å; A369-I499 HydrophobicContact CB-CG1 4.29Å; A369-I499 PolarHBondContact N-O 2.79Å; A369-I499 PolarHBondContact O-N 3.42Å; I499-V502 HydrophobicContact CG2-CG1 3.6Å; I499-R549 HydrophobicContact CG1-CG 4.16Å
500N98Very high96Very high2 Ų228.1 Ų28.11%0.01116%0.155CC..  trans-74.3-50.6-174.8-69.8-6.6000111.8Y345 F367 Y368 L490 N493 V726Y345-N500 WeakPolarHBondContact CD1-O 3.45Å; F367-N500 WeakPolarHBondContact CA-O 3.37Å; F367-N500 VanDerWaalsContact CD1-CA 3.48Å; F367-N500 HydrophobicContact CD1-CB 3.77Å; F367-N500 HydrophobicContact CE1-CB 3.88Å; F367-N500 WeakPolarHBondContact CE1-OD1 3.37Å; Y368-N500 PolarHBondContact N-O 3.19Å; L490-N500 PolarHBondContact O-ND2 3.25Å; N493-N500 WeakPolarHBondContact CB-OD1 3.43Å; N493-N500 PolarHBondContact ND2-OD1 2.71Å; N500-V726 PolarHBondContact ND2-O 2.69Å
501N97.4Very high95.9Very high16 Ų1628.1 Ų28.19%0.08616%0.155CC..  trans-157.8168176.154.763.5000108.2Q344 Y345Q344-N501 WeakPolarHBondContact O-CA 3.34Å; Q344-N501 WeakPolarHBondContact O-CB 3.4Å; Y345-N501 HydrophobicContact CD1-CB 4.16Å; Y345-N501 HydrophobicContact CD2-CB 4.15Å; Y345-N501 HydrophobicContact CE1-CB 3.95Å; Y345-N501 HydrophobicContact CE2-CB 3.92Å; Y345-N501 HydrophobicContact CG-CB 4.28Å; Y345-N501 PolarHBondContact OH-ND2 2.89Å
502V97.6Very high95.7Very high2 Ų227.9 Ų27.91%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-132.3155.1176.7-57.40000110.2L343 Q344 Y368 I499 H546L343-V502 CarbonylContact C-O 3.58Å; L343-V502 WeakPolarHBondContact CA-O 3.36Å; Q344-V502 HydrophobicContact CB-CG2 3.92Å; Q344-V502 PolarHBondContact N-O 3.45Å; Q344-V502 PolarHBondContact O-N 3.48Å; Y368-V502 HydrophobicContact CD1-CG1 3.92Å; Y368-V502 HydrophobicContact CD2-CG1 4.17Å; Y368-V502 HydrophobicContact CD2-CG2 3.72Å; Y368-V502 HydrophobicContact CE1-CG1 4.12Å; Y368-V502 HydrophobicContact CE2-CG1 4.38Å; Y368-V502 HydrophobicContact CE2-CG2 3.6Å; Y368-V502 HydrophobicContact CG-CG1 3.93Å; Y368-V502 HydrophobicContact CG-CG2 4.33Å; I499-V502 HydrophobicContact CG2-CG1 3.6Å; V502-H546 HydrophobicContact CB-CB 4.01Å; V502-H546 HydrophobicContact CG1-CB 3.65Å; V502-H546 VanDerWaalsContact CG1-CG 3.5Å
503L96.9Very high95.6Very high2 Ų235.9 Ų35.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-61.6137.1167.2-63.2169.8000109.1P341 L343 P505 R508 Q720 T724P341-L503 HydrophobicContact CB-CD2 3.71Å; P341-L503 HydrophobicContact CG-CD2 3.73Å; L343-L503 HydrophobicContact CD2-CD2 3.97Å; L503-P505 VanDerWaalsContact O-CD 3.31Å; L503-P505 WeakPolarHBondContact O-CD 3.31Å; L503-P505 VanDerWaalsContact O-N 3.16Å; L503-R508 HydrophobicContact CB-CG 4.08Å; L503-Q720 HydrophobicContact CD1-CB 3.91Å; L503-Q720 HydrophobicContact CD2-CB 4.11Å; L503-T724 HydrophobicContact CD1-CG2 3.85Å; L503-T724 HydrophobicContact CD2-CG2 4.12Å; L503-T724 HydrophobicContact CG-CG2 3.78Å
504V96.4Very high95.5Very high6 Ų640.3 Ų40.34%0.03621%0.212CC..  trans-57.5118.7176.61660000109.7M342 Q344 V352 H506 Q507M342-V504 HydrophobicContact CB-CB 4.17Å; M342-V504 HydrophobicContact CB-CG2 3.59Å; M342-V504 WeakPolarHBondContact O-CG2 3.48Å; M342-V504 PolarHBondContact O-N 3.05Å; Q344-V504 HydrophobicContact CB-CG2 4.1Å; V352-V504 HydrophobicContact CG1-CG2 4.2Å; V504-H506 VanDerWaalsContact C-N 3.33Å; V504-H506 WeakPolarHBondContact CG1-CE1 3.33Å; V504-H506 VanDerWaalsContact CG1-ND1 3.31Å; V504-H506 WeakPolarHBondContact CG1-ND1 3.37Å; V504-H506 PolarHBondContact O-N 2.88Å; V504-H506 VanDerWaalsContact O-N 3.13Å; V504-Q507 HydrophobicContact CG1-CG 4.14Å; V504-Q507 PolarHBondContact O-N 2.88Å; V504-Q507 VanDerWaalsContact O-N 3.1Å
505P91.1Very high95.5Very high49 Ų4942 Ų4232%0.31822%0.223SC..G310 helixtrans-58.7-33.8-162.7-32.637.3000117.1L503 R508L503-P505 VanDerWaalsContact O-CD 3.31Å; L503-P505 WeakPolarHBondContact O-CD 3.31Å; L503-P505 VanDerWaalsContact O-N 3.16Å; P505-R508 PolarHBondContact O-NE 3.3Å
506H89.6Confident95.5Very high153 Ų15341.9 Ų41.971%0.70822%0.223SC*.G310 helixtrans-84.7-8.4-176.759.2-85.1000113.9V504V504-H506 VanDerWaalsContact C-N 3.33Å; V504-H506 WeakPolarHBondContact CG1-CE1 3.33Å; V504-H506 VanDerWaalsContact CG1-ND1 3.31Å; V504-H506 WeakPolarHBondContact CG1-ND1 3.37Å; V504-H506 PolarHBondContact O-N 2.88Å; V504-H506 VanDerWaalsContact O-N 3.13Å
507Q91.3Very high95.6Very high76 Ų7640.2 Ų40.236%0.35522%0.215SC..G310 helixtrans-96.52.9173.8-66.1-168.6-38.800112.8V504 Q720V504-Q507 HydrophobicContact CG1-CG 4.14Å; V504-Q507 PolarHBondContact O-N 2.88Å; V504-Q507 VanDerWaalsContact O-N 3.1Å; Q507-Q720 PolarHBondContact O-NE2 3.35Å
508R92.8Very high95.7Very high61 Ų6138.4 Ų38.423%0.2320%0.195CC..SBendtrans-81.9145.3-178.3-65.8-178.2-59.6172.40.9110.6L503 P505 F512 G545L503-R508 HydrophobicContact CB-CG 4.08Å; P505-R508 PolarHBondContact O-NE 3.3Å; R508-F512 HydrophobicContact CB-CB 4.32Å; R508-F512 HydrophobicContact CB-CD2 3.58Å; R508-F512 HydrophobicContact CB-CE2 4.06Å; R508-F512 HydrophobicContact CB-CG 4.04Å; R508-F512 HydrophobicContact CG-CD2 4.3Å; R508-F512 HydrophobicContact CG-CE2 4.44Å; R508-G545 PolarHBondContact NH1-O 3.1Å
509P92.7Very high95.8Very high14 Ų1438.2 Ų38.29%0.09119%0.193CC..  trans-53.4158.6173.1-28.934.4000114.5V511 F512 E713 L717P509-V511 HydrophobicContact CB-CG1 4.16Å; P509-V511 PolarHBondContact O-N 3.25Å; P509-V511 VanDerWaalsContact O-N 3.14Å; P509-F512 WeakPolarHBondContact O-CD2 3.47Å; P509-F512 PolarHBondContact O-N 3.01Å; P509-F512 VanDerWaalsContact O-N 3.15Å; P509-E713 HydrophobicContact CB-CG 3.83Å; P509-L717 HydrophobicContact CG-CB 4.05Å; P509-L717 HydrophobicContact CG-CD1 4.29Å
510S93.8Very high95.9Very high60 Ų6037.1 Ų37.142%0.4219%0.188SC..G310 helixtrans-57.2-27.8-179.923.70000113.9F512 Q513 E713S510-F512 PolarHBondContact O-N 3.46Å; S510-Q513 VanDerWaalsContact O-CB 3.3Å; S510-Q513 WeakPolarHBondContact O-CB 3.48Å; S510-Q513 WeakPolarHBondContact O-CG 3.37Å; S510-Q513 PolarHBondContact O-N 2.85Å; S510-E713 PolarHBondContact N-OE1 3.35Å; S510-E713 VanDerWaalsContact OG-CD 3.31Å; S510-E713 PolarHBondContact OG-OE1 2.93Å
511V95.6Very high95.9Very high3 Ų337 Ų372%0.01819%0.187CC..G310 helixtrans-48.1-31.4174.575.90000113.6P509 Q513 V516 I600 F709 E713 L717P509-V511 HydrophobicContact CB-CG1 4.16Å; P509-V511 PolarHBondContact O-N 3.25Å; P509-V511 VanDerWaalsContact O-N 3.14Å; V511-Q513 VanDerWaalsContact C-N 3.3Å; V511-Q513 PolarHBondContact O-N 3.17Å; V511-V516 HydrophobicContact CG2-CB 4.37Å; V511-V516 HydrophobicContact CG2-CG2 4.01Å; V511-I600 HydrophobicContact CG2-CD1 4.4Å; V511-F709 HydrophobicContact CB-CE1 4.09Å; V511-F709 HydrophobicContact CB-CZ 4Å; V511-F709 HydrophobicContact CG2-CE1 4.27Å; V511-F709 HydrophobicContact CG2-CZ 3.67Å; V511-E713 PolarHBondContact N-OE1 3.41Å; V511-L717 HydrophobicContact CG1-CD1 4.13Å; V511-L717 HydrophobicContact CG1-CD2 4.14Å
512F96.1Very high95.8Very high26 Ų2637.1 Ų37.111%0.11419%0.187CC..G310 helixtrans-77.1-7.6-178.9-72.3-80.8000114.9R508 P509 S510 Q514 V516 F518 P547 L717R508-F512 HydrophobicContact CB-CB 4.32Å; R508-F512 HydrophobicContact CB-CD2 3.58Å; R508-F512 HydrophobicContact CB-CE2 4.06Å; R508-F512 HydrophobicContact CB-CG 4.04Å; R508-F512 HydrophobicContact CG-CD2 4.3Å; R508-F512 HydrophobicContact CG-CE2 4.44Å; P509-F512 WeakPolarHBondContact O-CD2 3.47Å; P509-F512 PolarHBondContact O-N 3.01Å; P509-F512 VanDerWaalsContact O-N 3.15Å; S510-F512 PolarHBondContact O-N 3.46Å; F512-Q514 PolarHBondContact O-N 3.15Å; F512-V516 HydrophobicContact CD1-CG1 4.2Å; F512-V516 HydrophobicContact CE1-CG1 4.5Å; F512-F518 HydrophobicContact CD1-CE2 4.39Å; F512-F518 AromaticContact CE1-CE2 3.47Å; F512-F518 HydrophobicContact CE1-CE2 3.47Å; F512-F518 VanDerWaalsContact CE1-CE2 3.47Å; F512-F518 AromaticContact CE1-CZ 3.65Å; F512-F518 HydrophobicContact CE1-CZ 3.65Å; F512-F518 HydrophobicContact CE2-CZ 4.19Å; F512-F518 AromaticContact CZ-CE2 3.73Å; F512-F518 HydrophobicContact CZ-CE2 3.73Å; F512-F518 AromaticContact CZ-CZ 3.46Å; F512-F518 HydrophobicContact CZ-CZ 3.46Å; F512-F518 VanDerWaalsContact CZ-CZ 3.46Å; F512-P547 HydrophobicContact CE1-CG 3.72Å; F512-P547 HydrophobicContact CZ-CG 4Å; F512-L717 HydrophobicContact CE2-CD1 3.56Å; F512-L717 HydrophobicContact CZ-CD1 3.95Å
513Q95.3Very high95.6Very high168 Ų16837.4 Ų37.479%0.78519%0.189SC*.G310 helixtrans-71.9-19.9178.8-65.9175.95.400112.7S510 V511S510-Q513 VanDerWaalsContact O-CB 3.3Å; S510-Q513 WeakPolarHBondContact O-CB 3.48Å; S510-Q513 WeakPolarHBondContact O-CG 3.37Å; S510-Q513 PolarHBondContact O-N 2.85Å; V511-Q513 VanDerWaalsContact C-N 3.3Å; V511-Q513 PolarHBondContact O-N 3.17Å
514Q96.4Very high95.2Very high92 Ų9238.3 Ų38.343%0.4320%0.195SC..SBendtrans-121.3160.3171.9-59.2175.5-19.100109.6F512 V516 T597 R598F512-Q514 PolarHBondContact O-N 3.15Å; Q514-V516 PolarHBondContact O-N 3.31Å; Q514-V516 VanDerWaalsContact O-N 3.16Å; Q514-T597 HydrophobicContact CB-CG2 4.41Å; Q514-T597 VanDerWaalsContact CB-OG1 3.28Å; Q514-T597 WeakPolarHBondContact CB-OG1 3.24Å; Q514-T597 PolarHBondContact OE1-OG1 3.48Å; Q514-R598 VanDerWaalsContact OE1-CZ 3.22Å
515P98.2Very high94.6Very high38 Ų3840.9 Ų40.925%0.24721%0.207CC..  trans-56.7123.3177.3-25.235.2000111.2F594 K595 P596 T597 R598P515-F594 HydrophobicContact CB-CB 3.75Å; P515-F594 HydrophobicContact CB-CG 4.38Å; P515-F594 HydrophobicContact CG-CB 3.64Å; P515-F594 HydrophobicContact CG-CD1 3.73Å; P515-F594 HydrophobicContact CG-CG 3.82Å; P515-K595 WeakPolarHBondContact CB-O 3.25Å; P515-P596 CarbonylContact O-C 3.26Å; P515-P596 WeakPolarHBondContact O-CA 3.44Å; P515-T597 PolarHBondContact O-N 2.88Å; P515-T597 PolarHBondContact O-OG1 3.23Å; P515-R598 PolarHBondContact O-N 3.38Å
516V98.6Very high94.1Very high11 Ų1139.7 Ų39.77%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-132.6138.7-179.654.40000109.3V511 F512 Q514 F518 R598 I600V511-V516 HydrophobicContact CG2-CB 4.37Å; V511-V516 HydrophobicContact CG2-CG2 4.01Å; F512-V516 HydrophobicContact CD1-CG1 4.2Å; F512-V516 HydrophobicContact CE1-CG1 4.5Å; Q514-V516 PolarHBondContact O-N 3.31Å; Q514-V516 VanDerWaalsContact O-N 3.16Å; V516-F518 HydrophobicContact CG1-CE2 3.75Å; V516-F518 HydrophobicContact CG1-CZ 4.01Å; V516-F518 HydrophobicContact CG2-CE1 4.41Å; V516-F518 HydrophobicContact CG2-CE2 4.08Å; V516-F518 HydrophobicContact CG2-CZ 3.98Å; V516-R598 WeakPolarHBondContact CA-O 3.33Å; V516-R598 HydrophobicContact CB-CB 4.24Å; V516-R598 HydrophobicContact CG2-CB 3.97Å; V516-I600 HydrophobicContact CG2-CG1 3.74Å
517I98.9Very high93.4Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-110.1129.8172.1-169.3174.4000110.1L519 L585 F588 P596 R598 I599 I600I517-L519 HydrophobicContact CD1-CD2 3.77Å; I517-L519 HydrophobicContact CG1-CD2 3.89Å; I517-L585 HydrophobicContact CD1-CD2 4.3Å; I517-L585 HydrophobicContact CG2-CD2 4.16Å; I517-F588 HydrophobicContact CB-CD2 4.05Å; I517-F588 HydrophobicContact CB-CE2 4.14Å; I517-F588 HydrophobicContact CD1-CB 3.93Å; I517-F588 HydrophobicContact CD1-CD2 3.94Å; I517-F588 HydrophobicContact CD1-CG 4.15Å; I517-F588 HydrophobicContact CG1-CD2 3.88Å; I517-F588 HydrophobicContact CG1-CE2 4.36Å; I517-P596 HydrophobicContact CB-CB 4.17Å; I517-P596 HydrophobicContact CB-CG 3.9Å; I517-P596 HydrophobicContact CG2-CB 3.79Å; I517-P596 HydrophobicContact CG2-CG 3.81Å; I517-R598 PolarHBondContact N-O 3.32Å; I517-I599 HydrophobicContact CG2-CB 4.24Å; I517-I599 HydrophobicContact CG2-CG1 3.79Å; I517-I599 HydrophobicContact CG2-CG2 4.24Å; I517-I600 PolarHBondContact O-N 2.99Å
518F98.9Very high92.1Very high1 Ų135 Ų350%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-97.4118.5173.7-62.3-85.1000109.2F512 V516 G541 S542 P547 I600 L717 L721F512-F518 HydrophobicContact CD1-CE2 4.39Å; F512-F518 AromaticContact CE1-CE2 3.47Å; F512-F518 HydrophobicContact CE1-CE2 3.47Å; F512-F518 VanDerWaalsContact CE1-CE2 3.47Å; F512-F518 AromaticContact CE1-CZ 3.65Å; F512-F518 HydrophobicContact CE1-CZ 3.65Å; F512-F518 HydrophobicContact CE2-CZ 4.19Å; F512-F518 AromaticContact CZ-CE2 3.73Å; F512-F518 HydrophobicContact CZ-CE2 3.73Å; F512-F518 AromaticContact CZ-CZ 3.46Å; F512-F518 HydrophobicContact CZ-CZ 3.46Å; F512-F518 VanDerWaalsContact CZ-CZ 3.46Å; V516-F518 HydrophobicContact CG1-CE2 3.75Å; V516-F518 HydrophobicContact CG1-CZ 4.01Å; V516-F518 HydrophobicContact CG2-CE1 4.41Å; V516-F518 HydrophobicContact CG2-CE2 4.08Å; V516-F518 HydrophobicContact CG2-CZ 3.98Å; F518-G541 CarbonylContact O-C 3.57Å; F518-G541 WeakPolarHBondContact O-CA 3.13Å; F518-S542 PolarHBondContact N-OG 3.43Å; F518-S542 PolarHBondContact O-N 3.01Å; F518-P547 HydrophobicContact CD2-CB 3.62Å; F518-P547 HydrophobicContact CD2-CG 3.72Å; F518-P547 HydrophobicContact CE2-CB 4.09Å; F518-P547 HydrophobicContact CE2-CG 3.67Å; F518-P547 HydrophobicContact CG-CB 4.41Å; F518-I600 HydrophobicContact CD1-CB 3.81Å; F518-I600 HydrophobicContact CD1-CG1 4.15Å; F518-I600 HydrophobicContact CD1-CG2 4.21Å; F518-I600 HydrophobicContact CE1-CB 4.04Å; F518-I600 HydrophobicContact CE1-CG1 3.9Å; F518-I600 HydrophobicContact CE1-CG2 4.37Å; F518-L717 HydrophobicContact CE1-CD1 3.85Å; F518-L717 HydrophobicContact CE1-CD2 4.13Å; F518-L717 HydrophobicContact CE1-CG 4.32Å; F518-L717 HydrophobicContact CZ-CD1 4.01Å; F518-L721 HydrophobicContact CD1-CD1 3.65Å; F518-L721 HydrophobicContact CD1-CD2 4.26Å; F518-L721 HydrophobicContact CE1-CD1 3.89Å; F518-L721 HydrophobicContact CE1-CD2 4.43Å; F518-L721 HydrophobicContact CG-CD1 4.45Å; F518-L721 HydrophobicContact CG-CD2 4.4Å
519L98.9Very high90.6Very high0 Ų036.2 Ų36.20%023%0.226CC..EExtended strand (participates in β ladder)trans-105.9140.9178-60.8-174.5000110.3I517 V540 V581 L584 I599 I600 Y601 Y602I517-L519 HydrophobicContact CD1-CD2 3.77Å; I517-L519 HydrophobicContact CG1-CD2 3.89Å; L519-V540 CarbonylContact C-O 3.57Å; L519-V540 WeakPolarHBondContact CA-O 3.44Å; L519-V581 HydrophobicContact CD1-CG1 4.35Å; L519-V581 HydrophobicContact CD1-CG2 4.22Å; L519-L584 HydrophobicContact CD2-CD1 4.01Å; L519-I599 HydrophobicContact CD1-CG2 3.6Å; L519-I599 HydrophobicContact CG-CG2 4.09Å; L519-I600 PolarHBondContact N-O 2.84Å; L519-Y601 HydrophobicContact CB-CD2 3.62Å; L519-Y601 HydrophobicContact CB-CE2 4.36Å; L519-Y601 HydrophobicContact CD1-CD2 4.02Å; L519-Y601 HydrophobicContact CG-CD2 4.48Å; L519-Y602 PolarHBondContact O-N 3.39Å
520G98.8Very high89.3Confident0 Ų037.2 Ų37.20%023%0.23CC..EExtended strand (participates in β ladder)trans-125.8137.3170.500000110V539 V540 Y602 A741G520-V539 CarbonylContact O-C 3.19Å; G520-V539 VanDerWaalsContact O-CA 3.25Å; G520-V539 WeakPolarHBondContact O-CA 3.43Å; G520-V540 PolarHBondContact N-O 3.38Å; G520-V540 PolarHBondContact O-N 3.33Å; G520-Y602 WeakPolarHBondContact CA-O 3.4Å; G520-A741 WeakPolarHBondContact O-CB 3.44Å
521A98.4Very high87.9Confident0 Ų035.8 Ų35.80%023%0.225CC..EExtended strand (participates in β ladder)trans-139.2140.9-177.500000112.5A538 V539 I574 Y601 Y602 G604A521-A538 VanDerWaalsContact CA-O 3.27Å; A521-A538 WeakPolarHBondContact CA-O 3.44Å; A521-V539 HydrophobicContact CB-CG1 4.49Å; A521-V539 HydrophobicContact CB-CG2 4Å; A521-I574 HydrophobicContact CB-CD1 3.78Å; A521-Y601 HydrophobicContact CB-CE1 4.45Å; A521-Y601 HydrophobicContact CB-CE2 3.65Å; A521-Y601 VanDerWaalsContact CB-CZ 3.48Å; A521-Y601 WeakPolarHBondContact CB-OH 3.27Å; A521-Y602 PolarHBondContact N-O 3.01Å; A521-G604 PolarHBondContact O-N 2.7Å
522D95.6Very high86.8Confident17 Ų1743.2 Ų43.29%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-147146.1179.2-17072.5000110.5T524 A538 A741 R742D522-T524 PolarHBondContact OD2-OG1 2.82Å; D522-A538 PolarHBondContact N-O 3.31Å; D522-A538 PolarHBondContact O-N 2.92Å; D522-A741 HydrophobicContact CB-CB 4.01Å; D522-R742 HydrophobicContact CB-CB 4.44Å
523V92.6Very high86Confident8 Ų846.1 Ų46.15%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-115.9123.2171177.20000108.5I536 A537 I574V523-I536 WeakPolarHBondContact CA-O 3.48Å; V523-A537 HydrophobicContact CG2-CB 4.15Å; V523-I574 HydrophobicContact CG2-CD1 4.33Å; V523-I574 HydrophobicContact CG2-CG1 3.65Å
524T88.8Confident85.5Confident21 Ų2138.8 Ų38.813%0.12924%0.236CC..EExtended strand (participates in β ladder)trans-109.8110.2177.7-69.10000110.7D522 I536 F746 R749D522-T524 PolarHBondContact OD2-OG1 2.82Å; T524-I536 PolarHBondContact N-O 3.15Å; T524-I536 PolarHBondContact O-N 3.06Å; T524-F746 HydrophobicContact CG2-CD1 4.3Å; T524-F746 HydrophobicContact CG2-CE1 4.03Å; T524-R749 PolarHBondContact O-NH2 2.83Å
525H85.3Confident85.2Confident61 Ų6134.4 Ų34.428%0.28222%0.216SC..PPolyproline II helixtrans-74156175.5-61.9-56.8000113.2S535 E572H525-S535 PolarHBondContact ND1-OG 3.43Å; H525-E572 IonicContact CD2-OE1 3.88Å; H525-E572 VanDerWaalsContact NE2-CD 3.28Å; H525-E572 IonicContact NE2-OE1 3.16Å; H525-E572 PolarHBondContact NE2-OE1 3.35Å; H525-E572 IonicContact NE2-OE2 2.72Å; H525-E572 PolarHBondContact NE2-OE2 2.72Å
526P80.8Confident84.9Confident24 Ų2432.6 Ų32.616%0.15620%0.204CC..PPolyproline II helixtrans-62.9160.9169.730.7-38.2000111.8D530 K533P526-D530 HydrophobicContact CB-CB 4.29Å; P526-K533 HydrophobicContact CB-CB 3.77Å
527P72.9Confident84.8Confident65 Ų6532.1 Ų32.142%0.42220%0.201SC..PPolyproline II helixtrans-55.1146.9174.3-23.434.1000111.9G529 D530P527-G529 PolarHBondContact O-N 3.49Å; P527-D530 WeakPolarHBondContact O-CB 3.38Å; P527-D530 PolarHBondContact O-N 2.89Å
528A65.4Low84.8Confident66 Ų6632.1 Ų32.155%0.54520%0.201SC..THydrogen-bonded Turntrans-58.2129.7-179.700000111.4I276I276-A528 HydrophobicContact CG2-CB 3.33Å
529G61.5Low84.8Confident86 Ų8632 Ų3289%0.88720%0.201SC*.THydrogen-bonded Turntrans94.9-8.9-175.600000114.9P527P527-G529 PolarHBondContact O-N 3.49Å
530D65Low84.8Confident34 Ų3432 Ų3218%0.18220%0.201CC..  trans-93.299.5173.2-168.3-24000110P526 P527 K532 K533P526-D530 HydrophobicContact CB-CB 4.29Å; P527-D530 WeakPolarHBondContact O-CB 3.38Å; P527-D530 PolarHBondContact O-N 2.89Å; D530-K532 PolarHBondContact OD1-N 3.29Å; D530-K532 VanDerWaalsContact OD1-N 3.15Å; D530-K533 PolarHBondContact OD1-N 3.21Å; D530-K533 VanDerWaalsContact OD1-N 3.17Å; D530-K533 WeakPolarHBondContact OD2-CD 3.42Å; D530-K533 WeakPolarHBondContact OD2-CE 3.48Å; D530-K533 WeakPolarHBondContact OD2-CG 3.46Å; D530-K533 IonicContact OD2-NZ 3.87Å; D530-K533 PolarHBondContact OD2-NZ 3.09Å
531G63.8Low84.8Confident31 Ų3132 Ų3232%0.3220%0.201SC..  trans-86.3-4.9178.300000114.5S559G531-S559 PolarHBondContact O-OG 3.11Å
532K72.5Confident84.8Confident158 Ų15832 Ų3269%0.68720%0.201SC*.SBendtrans-99.3-31.2-172.2-66.7-170.3175.8-167.40113D530D530-K532 PolarHBondContact OD1-N 3.29Å; D530-K532 VanDerWaalsContact OD1-N 3.15Å
533K80.1Confident84.9Confident88 Ų8831.4 Ų31.438%0.38320%0.198SC..SBendtrans-77.3143.5-178-72.1-176.6-1661590111.9P526 D530 S559P526-K533 HydrophobicContact CB-CB 3.77Å; D530-K533 PolarHBondContact OD1-N 3.21Å; D530-K533 VanDerWaalsContact OD1-N 3.17Å; D530-K533 WeakPolarHBondContact OD2-CD 3.42Å; D530-K533 WeakPolarHBondContact OD2-CE 3.48Å; D530-K533 WeakPolarHBondContact OD2-CG 3.46Å; D530-K533 IonicContact OD2-NZ 3.87Å; D530-K533 PolarHBondContact OD2-NZ 3.09Å; K533-S559 WeakPolarHBondContact O-CB 3.47Å
534P85.2Confident85Confident13 Ų1331.7 Ų31.78%0.08420%0.199CC..PPolyproline II helixtrans-72.9158.2177.832-37.2000111.4V556 Q557 R749 L752 L777P534-V556 HydrophobicContact CB-CB 4.13Å; P534-V556 HydrophobicContact CG-CB 4.24Å; P534-V556 HydrophobicContact CG-CG1 4.14Å; P534-Q557 WeakPolarHBondContact CB-O 3.32Å; P534-R749 PolarHBondContact O-NH1 3.11Å; P534-R749 PolarHBondContact O-NH2 3.25Å; P534-L752 HydrophobicContact CG-CD1 4.13Å; P534-L777 HydrophobicContact CG-CD1 4.18Å
535S88.9Confident85.1Confident1 Ų133.1 Ų33.11%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-74.8151.6160.1-61.30000109H525 Q557H525-S535 PolarHBondContact ND1-OG 3.43Å; S535-Q557 PolarHBondContact N-O 3.46Å; S535-Q557 PolarHBondContact O-N 3.31Å
536I93Very high85.4Confident0 Ų032.2 Ų32.20%021%0.214CC..EExtended strand (participates in β ladder)trans-120.1121.1180-59.5173.4000108.2V523 T524 V554 R555 A745 A748 R749 L752V523-I536 WeakPolarHBondContact CA-O 3.48Å; T524-I536 PolarHBondContact N-O 3.15Å; T524-I536 PolarHBondContact O-N 3.06Å; I536-V554 HydrophobicContact CG2-CG2 3.65Å; I536-R555 WeakPolarHBondContact CA-O 3.26Å; I536-A745 HydrophobicContact CG2-CB 4.11Å; I536-A748 HydrophobicContact CD1-CB 4.18Å; I536-A748 HydrophobicContact CG2-CB 3.89Å; I536-R749 HydrophobicContact CD1-CB 3.82Å; I536-L752 HydrophobicContact CD1-CD1 3.84Å; I536-L752 HydrophobicContact CG1-CD1 4.29Å
537A95.9Very high85.9Confident0 Ų031.1 Ų31.10%021%0.207CC..EExtended strand (participates in β ladder)trans-98.9135.4172.100000109.9V523 V554 R555 I574V523-A537 HydrophobicContact CG2-CB 4.15Å; A537-V554 WeakPolarHBondContact O-CA 3.24Å; A537-V554 WeakPolarHBondContact O-CG2 3.46Å; A537-R555 PolarHBondContact N-O 3.48Å; A537-R555 PolarHBondContact O-N 3.47Å; A537-I574 HydrophobicContact CB-CB 4.38Å; A537-I574 HydrophobicContact CB-CG1 4Å; A537-I574 HydrophobicContact CB-CG2 3.85Å
538A97.9Very high86.8Confident0 Ų028.2 Ų28.20%019%0.188CC..EExtended strand (participates in β ladder)trans-132.8138176.500000110.3A521 D522 T553 V554 A741 V744 A745A521-A538 VanDerWaalsContact CA-O 3.27Å; A521-A538 WeakPolarHBondContact CA-O 3.44Å; D522-A538 PolarHBondContact N-O 3.31Å; D522-A538 PolarHBondContact O-N 2.92Å; A538-T553 WeakPolarHBondContact CA-O 3.49Å; A538-V554 HydrophobicContact CB-CG2 4.4Å; A538-A741 VanDerWaalsContact CB-O 3.26Å; A538-A741 WeakPolarHBondContact CB-O 3.26Å; A538-V744 HydrophobicContact CB-CB 3.83Å; A538-V744 HydrophobicContact CB-CG1 3.63Å; A538-A745 HydrophobicContact CB-CB 3.95Å
539V98.7Very high88.3Confident0 Ų029.3 Ų29.30%018%0.178CC..EExtended strand (participates in β ladder)trans-130.1135.6173.9-172.90000108.4G520 A521 T553 I574 L577 M580 L584G520-V539 CarbonylContact O-C 3.19Å; G520-V539 VanDerWaalsContact O-CA 3.25Å; G520-V539 WeakPolarHBondContact O-CA 3.43Å; A521-V539 HydrophobicContact CB-CG1 4.49Å; A521-V539 HydrophobicContact CB-CG2 4Å; V539-T553 PolarHBondContact N-O 2.97Å; V539-T553 PolarHBondContact O-N 3.16Å; V539-T553 PolarHBondContact O-OG1 2.88Å; V539-I574 HydrophobicContact CG2-CD1 4.06Å; V539-L577 HydrophobicContact CG2-CD1 3.69Å; V539-M580 HydrophobicContact CB-CB 4.46Å; V539-M580 HydrophobicContact CB-CE 3.86Å; V539-M580 HydrophobicContact CG2-CB 4.35Å; V539-M580 HydrophobicContact CG2-CE 3.56Å; V539-M580 HydrophobicContact CG2-SD 4.04Å; V539-L584 HydrophobicContact CB-CD1 4.22Å; V539-L584 HydrophobicContact CG1-CD1 3.65Å
540V98.8Very high90.1Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-119.7153.5173.7-60.40000109.8L519 G520 Y550 C551 A552 P737 A741 V744L519-V540 CarbonylContact C-O 3.57Å; L519-V540 WeakPolarHBondContact CA-O 3.44Å; G520-V540 PolarHBondContact N-O 3.38Å; G520-V540 PolarHBondContact O-N 3.33Å; V540-Y550 HydrophobicContact CB-CD1 4.22Å; V540-Y550 HydrophobicContact CG2-CD1 3.98Å; V540-C551 CarbonylContact C-O 3.57Å; V540-C551 WeakPolarHBondContact CA-O 3.41Å; V540-C551 WeakPolarHBondContact CB-O 3.5Å; V540-A552 HydrophobicContact CG1-CB 3.98Å; V540-P737 HydrophobicContact CG2-CB 4.24Å; V540-P737 WeakPolarHBondContact CG2-O 3.46Å; V540-A741 HydrophobicContact CG2-CB 4.39Å; V540-V744 HydrophobicContact CG1-CG2 3.87Å
541G98.7Very high91.7Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-134.7140.6173.900000111.8F518 M543 Y550 C551F518-G541 CarbonylContact O-C 3.57Å; F518-G541 WeakPolarHBondContact O-CA 3.13Å; G541-M543 VanDerWaalsContact C-CE 3.44Å; G541-M543 WeakPolarHBondContact O-CE 3.49Å; G541-Y550 CarbonylContact O-C 3.29Å; G541-Y550 WeakPolarHBondContact O-CA 3.47Å; G541-Y550 WeakPolarHBondContact O-CD1 3.31Å; G541-C551 PolarHBondContact N-O 3.48Å; G541-C551 PolarHBondContact O-N 2.94Å
542S98.6Very high93.3Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-63.3146172.958.50000110.7F518 R549 Y550 F588F518-S542 PolarHBondContact N-OG 3.43Å; F518-S542 PolarHBondContact O-N 3.01Å; S542-R549 CarbonylContact C-O 3.51Å; S542-R549 WeakPolarHBondContact CA-O 3.32Å; S542-Y550 VanDerWaalsContact N-CD1 3.3Å; S542-F588 VanDerWaalsContact O-CD2 3.26Å; S542-F588 WeakPolarHBondContact O-CD2 3.19Å
543M98Very high94.5Very high4 Ų416.3 Ų16.32%0.029%0.091CC..  trans-125.417.8-172.1-60.8-68.5136.300113.4G541 R549 C551 L584 Q587 S591G541-M543 VanDerWaalsContact C-CE 3.44Å; G541-M543 WeakPolarHBondContact O-CE 3.49Å; M543-R549 HydrophobicContact CB-CB 4.42Å; M543-R549 PolarHBondContact N-O 3.48Å; M543-R549 PolarHBondContact O-NH2 3.44Å; M543-C551 HydrophobicContact CE-CB 3.87Å; M543-C551 HydrophobicContact CG-CB 3.95Å; M543-C551 HydrophobicContact SD-CB 4Å; M543-L584 HydrophobicContact CE-CB 4.37Å; M543-L584 HydrophobicContact CE-CD2 3.85Å; M543-Q587 HydrophobicContact SD-CB 4.03Å; M543-Q587 HydrophobicContact SD-CG 3.68Å; M543-S591 WeakPolarHBondContact O-CB 3.36Å
544D95.4Very high95.3Very high14 Ų1412.6 Ų12.68%0.0758%0.076CC..SBendtrans-156.8168.4177.354.259.9000110.4H546 P547 S548 R549D544-H546 PolarHBondContact O-N 2.7Å; D544-H546 WeakPolarHBondContact OD1-CA 3.47Å; D544-H546 WeakPolarHBondContact OD1-CB 3.12Å; D544-H546 PolarHBondContact OD1-N 3.24Å; D544-P547 VanDerWaalsContact OD1-CA 3.29Å; D544-P547 WeakPolarHBondContact OD1-CA 3.49Å; D544-S548 PolarHBondContact OD1-N 3.18Å; D544-R549 VanDerWaalsContact OD2-CB 3.23Å; D544-R549 WeakPolarHBondContact OD2-CB 3.46Å; D544-R549 WeakPolarHBondContact OD2-CG 3.34Å; D544-R549 PolarHBondContact OD2-N 3.37Å; D544-R549 IonicContact OD2-NE 3.1Å; D544-R549 PolarHBondContact OD2-NE 3.12Å
545G91.4Very high95.8Very high51 Ų5115 Ų1553%0.5268%0.083SC..SBendtrans-76.4-3.5176.600000114.6R508 P547R508-G545 PolarHBondContact NH1-O 3.1Å; G545-P547 WeakPolarHBondContact O-CD 3.44Å
546H91Very high96Very high42 Ų4216.3 Ų16.319%0.1949%0.091CC..SBendtrans-93.27.1177.4-68.9-61.4000113.7Y368 V502 D544 S548Y368-H546 AromaticContact CE1-NE2 3.98Å; Y368-H546 AromaticContact CZ-NE2 3.91Å; Y368-H546 PolarHBondContact OH-NE2 3.46Å; V502-H546 HydrophobicContact CB-CB 4.01Å; V502-H546 HydrophobicContact CG1-CB 3.65Å; V502-H546 VanDerWaalsContact CG1-CG 3.5Å; D544-H546 PolarHBondContact O-N 2.7Å; D544-H546 WeakPolarHBondContact OD1-CA 3.47Å; D544-H546 WeakPolarHBondContact OD1-CB 3.12Å; D544-H546 PolarHBondContact OD1-N 3.24Å; H546-S548 PolarHBondContact O-N 3.33Å
547P90.4Very high95.7Very high1 Ų116.8 Ų16.81%0.0069%0.093CC..SBendtrans1.667.1-136.623.9-41.2000116.5F512 F518 D544 G545 Y550 L721F512-P547 HydrophobicContact CE1-CG 3.72Å; F512-P547 HydrophobicContact CZ-CG 4Å; F518-P547 HydrophobicContact CD2-CB 3.62Å; F518-P547 HydrophobicContact CD2-CG 3.72Å; F518-P547 HydrophobicContact CE2-CB 4.09Å; F518-P547 HydrophobicContact CE2-CG 3.67Å; F518-P547 HydrophobicContact CG-CB 4.41Å; D544-P547 VanDerWaalsContact OD1-CA 3.29Å; D544-P547 WeakPolarHBondContact OD1-CA 3.49Å; G545-P547 WeakPolarHBondContact O-CD 3.44Å; P547-Y550 WeakPolarHBondContact O-CE2 3.49Å; P547-L721 HydrophobicContact CG-CD2 4.02Å
548S93.4Very high94.5Very high4 Ų419.4 Ų19.43%0.02811%0.109CC..  trans-97.1-47.2175.2-177.70000113.1D544 H546D544-S548 PolarHBondContact OD1-N 3.18Å; H546-S548 PolarHBondContact O-N 3.33Å
549R96.8Very high92.8Very high89 Ų8920.5 Ų20.534%0.33612%0.117SC..  trans-88.8143.3-179.9-59-177.6-56.4163.88.5110.4I499 S542 M543 D544I499-R549 HydrophobicContact CG1-CG 4.16Å; S542-R549 CarbonylContact C-O 3.51Å; S542-R549 WeakPolarHBondContact CA-O 3.32Å; M543-R549 HydrophobicContact CB-CB 4.42Å; M543-R549 PolarHBondContact N-O 3.48Å; M543-R549 PolarHBondContact O-NH2 3.44Å; D544-R549 VanDerWaalsContact OD2-CB 3.23Å; D544-R549 WeakPolarHBondContact OD2-CB 3.46Å; D544-R549 WeakPolarHBondContact OD2-CG 3.34Å; D544-R549 PolarHBondContact OD2-N 3.37Å; D544-R549 IonicContact OD2-NE 3.1Å; D544-R549 PolarHBondContact OD2-NE 3.12Å
550Y98.4Very high90.6Very high3 Ų330.8 Ų30.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-131.9140177.5-73.9-103.6000111.2V540 G541 S542 P547 P737 Y740 M791V540-Y550 HydrophobicContact CB-CD1 4.22Å; V540-Y550 HydrophobicContact CG2-CD1 3.98Å; G541-Y550 CarbonylContact O-C 3.29Å; G541-Y550 WeakPolarHBondContact O-CA 3.47Å; G541-Y550 WeakPolarHBondContact O-CD1 3.31Å; S542-Y550 VanDerWaalsContact N-CD1 3.3Å; P547-Y550 WeakPolarHBondContact O-CE2 3.49Å; Y550-P737 HydrophobicContact CE1-CB 3.78Å; Y550-P737 HydrophobicContact CE1-CG 4.44Å; Y550-Y740 HydrophobicContact CD1-CD2 4.17Å; Y550-Y740 AromaticContact CD2-CD2 3.67Å; Y550-Y740 HydrophobicContact CD2-CD2 3.67Å; Y550-Y740 AromaticContact CD2-CE2 3.41Å; Y550-Y740 HydrophobicContact CD2-CE2 3.41Å; Y550-Y740 VanDerWaalsContact CD2-CE2 3.41Å; Y550-Y740 HydrophobicContact CE2-CD2 4.09Å; Y550-Y740 AromaticContact CE2-CE2 3.68Å; Y550-Y740 HydrophobicContact CE2-CE2 3.68Å; Y550-Y740 AromaticContact CG-CD2 3.73Å; Y550-Y740 HydrophobicContact CG-CD2 3.73Å; Y550-Y740 AromaticContact CG-CE2 3.98Å; Y550-Y740 HydrophobicContact CG-CE2 3.98Å; Y550-M791 HydrophobicContact CD2-CE 4.45Å; Y550-M791 WeakPolarHBondContact O-CG 3.45Å
551C97.9Very high88Confident7 Ų738.3 Ų38.35%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-99.5160.7163.6-72.10000110V540 G541 M543 L584 Q587V540-C551 CarbonylContact C-O 3.57Å; V540-C551 WeakPolarHBondContact CA-O 3.41Å; V540-C551 WeakPolarHBondContact CB-O 3.5Å; G541-C551 PolarHBondContact N-O 3.48Å; G541-C551 PolarHBondContact O-N 2.94Å; M543-C551 HydrophobicContact CE-CB 3.87Å; M543-C551 HydrophobicContact CG-CB 3.95Å; M543-C551 HydrophobicContact SD-CB 4Å; C551-L584 HydrophobicContact CB-CD2 4.09Å; C551-Q587 HydrophobicContact CB-CG 4.39Å
552A98.1Very high85.3Confident17 Ų1745.2 Ų45.214%0.1422%0.223CC..EExtended strand (participates in β ladder)trans-129.5142.8-174.500000112.1V540 V744 Y792 F793V540-A552 HydrophobicContact CG1-CB 3.98Å; A552-V744 HydrophobicContact CB-CB 4.45Å; A552-V744 HydrophobicContact CB-CG1 4.08Å; A552-V744 HydrophobicContact CB-CG2 3.51Å; A552-Y792 HydrophobicContact CB-CE1 4.25Å; A552-F793 HydrophobicContact CB-CD1 3.94Å; A552-F793 HydrophobicContact CB-CE1 3.68Å
553T98.2Very high82.7Confident8 Ų849.9 Ų49.95%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-122.1144.5166.3570000108.4A538 V539 M580 E583 L584A538-T553 WeakPolarHBondContact CA-O 3.49Å; V539-T553 PolarHBondContact N-O 2.97Å; V539-T553 PolarHBondContact O-N 3.16Å; V539-T553 PolarHBondContact O-OG1 2.88Å; T553-M580 VanDerWaalsContact C-CE 3.48Å; T553-M580 VanDerWaalsContact O-CE 3.24Å; T553-M580 WeakPolarHBondContact O-CE 3.43Å; T553-M580 WeakPolarHBondContact OG1-CB 3.35Å; T553-M580 WeakPolarHBondContact OG1-CE 3.36Å; T553-E583 HydrophobicContact CG2-CB 3.97Å; T553-E583 VanDerWaalsContact CG2-OE2 3.25Å; T553-E583 WeakPolarHBondContact CG2-OE2 3.35Å; T553-L584 HydrophobicContact CG2-CD2 4.16Å; T553-L584 HydrophobicContact CG2-CG 4.01Å
554V97.4Very high80Confident10 Ų1054.5 Ų54.56%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-144.9143.6-176.666.70000110.8I536 A537 A538 V744 A748 V781I536-V554 HydrophobicContact CG2-CG2 3.65Å; A537-V554 WeakPolarHBondContact O-CA 3.24Å; A537-V554 WeakPolarHBondContact O-CG2 3.46Å; A538-V554 HydrophobicContact CB-CG2 4.4Å; V554-V744 HydrophobicContact CB-CG1 3.83Å; V554-V744 HydrophobicContact CG2-CG1 4.1Å; V554-A748 HydrophobicContact CG2-CB 3.6Å; V554-V781 HydrophobicContact CG1-CB 4.32Å; V554-V781 WeakPolarHBondContact CG1-O 3.29Å
555R94.9Very high77.4Confident63 Ų6362.8 Ų62.824%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-141.6147.9-178.5-62.4-65.3-173.5-88.8-3111.2I536 A537 D576 M580 E583I536-R555 WeakPolarHBondContact CA-O 3.26Å; A537-R555 PolarHBondContact N-O 3.48Å; A537-R555 PolarHBondContact O-N 3.47Å; R555-D576 HydrophobicContact CG-CB 4.09Å; R555-D576 IonicContact CZ-OD2 3.06Å; R555-D576 IonicContact NE-OD2 3.01Å; R555-D576 PolarHBondContact NE-OD2 3.29Å; R555-D576 IonicContact NH2-OD2 2.72Å; R555-D576 PolarHBondContact NH2-OD2 2.87Å; R555-M580 HydrophobicContact CB-SD 4.34Å; R555-M580 HydrophobicContact CG-CE 4.22Å; R555-M580 HydrophobicContact CG-CG 4.01Å; R555-M580 HydrophobicContact CG-SD 3.66Å; R555-E583 IonicContact CZ-OE1 4Å; R555-E583 IonicContact NH2-OE1 2.73Å; R555-E583 PolarHBondContact NH2-OE1 3.39Å; R555-E583 IonicContact NH2-OE2 2.72Å
556V92.4Very high75Confident30 Ų3069 Ų6918%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-91140.2164.1-65.70000108.4P534 L752 L777 A778 V781P534-V556 HydrophobicContact CB-CB 4.13Å; P534-V556 HydrophobicContact CG-CB 4.24Å; P534-V556 HydrophobicContact CG-CG1 4.14Å; V556-L752 HydrophobicContact CG1-CD1 4.07Å; V556-L777 HydrophobicContact CG1-CB 4.46Å; V556-L777 HydrophobicContact CG2-CB 4Å; V556-A778 HydrophobicContact CG2-CB 4.1Å; V556-V781 HydrophobicContact CG1-CG1 3.9Å; V556-V781 HydrophobicContact CG1-CG2 4Å
557Q86.6Confident72.8Confident9 Ų972 Ų724%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-135.2151.917461.9-173.258.800110.9P534 S535 Q571 V573 Q575P534-Q557 WeakPolarHBondContact CB-O 3.32Å; S535-Q557 PolarHBondContact N-O 3.46Å; S535-Q557 PolarHBondContact O-N 3.31Å; Q557-Q571 PolarHBondContact NE2-O 2.91Å; Q557-V573 PolarHBondContact NE2-O 3.38Å; Q557-Q575 HydrophobicContact CB-CG 4.35Å
558T71.7Confident70.7Confident55 Ų5579.8 Ų79.834%0.33739%0.391SS..  trans-58.3149.9-16822.70000113.8
559S61.3Low68.8Low23 Ų2385.7 Ų85.716%0.16141%0.414CS..  trans-94.7166.7175.2130.40000111G531 K533 Q561G531-S559 PolarHBondContact O-OG 3.11Å; K533-S559 WeakPolarHBondContact O-CB 3.47Å; S559-Q561 PolarHBondContact O-N 3.37Å
560R53.4Low67.2Low217 Ų21782.5 Ų82.582%0.81941%0.405SS*.THydrogen-bonded Turntrans-44.7-4.4-167.5-156.8173.2-179.7-176.81119.9
561Q43.8Very low66Low157 Ų15785.8 Ų85.873%0.73442%0.42SS*.THydrogen-bonded Turntrans-112.4-7.7-163.3-75.4-173.6-29.300117S559S559-Q561 PolarHBondContact O-N 3.37Å
562E42.5Very low65.4Low145 Ų14586.5 Ų86.568%0.67842%0.423SS*.  trans-112.23.7-169.6-75.9-177.317600116.8S564E562-S564 PolarHBondContact O-N 2.86Å
563I44.5Very low65.1Low99 Ų9986.1 Ų86.151%0.50842%0.419SS..  trans-93.8101.7-178.4-56.8178.8000110.1
564S41Very low64.9Low101 Ų10185.9 Ų85.971%0.70642%0.417SS*.  trans-54.8145.8153.5450000109.8E562 E566E562-S564 PolarHBondContact O-N 2.86Å; S564-E566 PolarHBondContact O-N 3.45Å
565Q39.6Very low64.7Low188 Ų18890.6 Ų90.688%0.87944%0.438SS*.THydrogen-bonded Turntrans-44.23.6-161.8-98.8159.7-35.800121.5
566E41.9Very low64.7Low181 Ų18189.8 Ų89.885%0.84644%0.439SS*.THydrogen-bonded Turntrans-107.4-16.2-163.7-70.7-176.4165.800117.1S564S564-E566 PolarHBondContact O-N 3.45Å
567L44.3Very low65Low105 Ų10588.4 Ų88.455%0.5543%0.43SS..  trans-13780174.1-78.9140.9000112Y569L567-Y569 HydrophobicContact CB-CD2 4.24Å; L567-Y569 HydrophobicContact CB-CE2 4.19Å; L567-Y569 HydrophobicContact CD2-CD2 4.17Å; L567-Y569 HydrophobicContact CD2-CE2 3.29Å; L567-Y569 HydrophobicContact CG-CE2 4.3Å; L567-Y569 PolarHBondContact O-N 3.38Å
568L46.4Very low65.5Low164 Ų16489.7 Ų89.786%0.85944%0.439SS*.  trans-7261.9173.2-85.5148.1000111.8
569Y53.9Low66.8Low129 Ų12990.8 Ų90.851%0.50644%0.443SS..  trans-73.6132.3164.1-66.2-64.6000109.4L567 Q571L567-Y569 HydrophobicContact CB-CD2 4.24Å; L567-Y569 HydrophobicContact CB-CE2 4.19Å; L567-Y569 HydrophobicContact CD2-CD2 4.17Å; L567-Y569 HydrophobicContact CD2-CE2 3.29Å; L567-Y569 HydrophobicContact CG-CE2 4.3Å; L567-Y569 PolarHBondContact O-N 3.38Å; Y569-Q571 PolarHBondContact O-N 3.37Å
570S62.7Low68.6Low21 Ų2189.7 Ų89.715%0.14744%0.435CS..  trans-51.8136.8170.1173.80000109.4E572 V573 Q610S570-E572 PolarHBondContact O-N 3.23Å; S570-E572 WeakPolarHBondContact OG-CB 3.5Å; S570-E572 PolarHBondContact OG-N 3.43Å; S570-V573 WeakPolarHBondContact O-CB 3.48Å; S570-V573 WeakPolarHBondContact O-CG2 3.42Å; S570-V573 PolarHBondContact O-N 3.34Å; S570-Q610 PolarHBondContact OG-NE2 2.79Å; S570-Q610 VanDerWaalsContact OG-NE2 3.13Å
571Q73.5Confident70.7Confident73 Ų7379.3 Ų79.334%0.34140%0.396SS..THydrogen-bonded Turntrans-58.3-16.6175.7-68.3-179.50.600113.3Q557 Y569 V573Q557-Q571 PolarHBondContact NE2-O 2.91Å; Y569-Q571 PolarHBondContact O-N 3.37Å; Q571-V573 VanDerWaalsContact C-N 3.35Å
572E84.8Confident73.3Confident22 Ų2275.9 Ų75.910%0.10338%0.376CS..THydrogen-bonded Turntrans-76.3-19.7175.4-60.9-66.817400112.8H525 S570 I574 R603 V614H525-E572 IonicContact CD2-OE1 3.88Å; H525-E572 VanDerWaalsContact NE2-CD 3.28Å; H525-E572 IonicContact NE2-OE1 3.16Å; H525-E572 PolarHBondContact NE2-OE1 3.35Å; H525-E572 IonicContact NE2-OE2 2.72Å; H525-E572 PolarHBondContact NE2-OE2 2.72Å; S570-E572 PolarHBondContact O-N 3.23Å; S570-E572 WeakPolarHBondContact OG-CB 3.5Å; S570-E572 PolarHBondContact OG-N 3.43Å; E572-I574 PolarHBondContact O-N 2.99Å; E572-R603 PolarHBondContact O-NH2 3.49Å; E572-V614 HydrophobicContact CB-CG2 3.59Å
573V91.5Very high76Confident8 Ų873.1 Ų73.15%0.04836%0.364CS..SBendtrans-70.5128178.3179.80000109.2Q557 S570 Q571 Q575 V614 P617 E618Q557-V573 PolarHBondContact NE2-O 3.38Å; S570-V573 WeakPolarHBondContact O-CB 3.48Å; S570-V573 WeakPolarHBondContact O-CG2 3.42Å; S570-V573 PolarHBondContact O-N 3.34Å; Q571-V573 VanDerWaalsContact C-N 3.35Å; V573-Q575 PolarHBondContact O-N 3.08Å; V573-Q575 VanDerWaalsContact O-N 3.15Å; V573-V614 HydrophobicContact CG2-CB 4.49Å; V573-V614 HydrophobicContact CG2-CG2 4.13Å; V573-P617 HydrophobicContact CG1-CB 4.07Å; V573-E618 HydrophobicContact CG1-CG 4.32Å
574I94.8Very high78.6Confident4 Ų468.5 Ų68.52%0.02134%0.34CS..  trans-74.1104.3172.5-61.1173.7000109.1A521 V523 A537 V539 E572 D576 L577 M580 E618A521-I574 HydrophobicContact CB-CD1 3.78Å; V523-I574 HydrophobicContact CG2-CD1 4.33Å; V523-I574 HydrophobicContact CG2-CG1 3.65Å; A537-I574 HydrophobicContact CB-CB 4.38Å; A537-I574 HydrophobicContact CB-CG1 4Å; A537-I574 HydrophobicContact CB-CG2 3.85Å; V539-I574 HydrophobicContact CG2-CD1 4.06Å; E572-I574 PolarHBondContact O-N 2.99Å; I574-D576 PolarHBondContact O-N 3.48Å; I574-L577 HydrophobicContact CB-CB 4.06Å; I574-L577 HydrophobicContact CB-CD1 4.49Å; I574-L577 HydrophobicContact CD1-CD1 4.43Å; I574-L577 HydrophobicContact CG2-CB 3.78Å; I574-L577 HydrophobicContact CG2-CD1 4.15Å; I574-L577 WeakPolarHBondContact O-CB 3.45Å; I574-L577 PolarHBondContact O-N 2.87Å; I574-M580 HydrophobicContact CG2-SD 3.76Å; I574-E618 WeakPolarHBondContact CG1-OE1 3.26Å; I574-E618 PolarHBondContact N-OE1 3.09Å
575Q92.4Very high81.3Confident108 Ų10864 Ų6451%0.50531%0.308SS..THydrogen-bonded Turntrans-63-39.8-170.7-67.7177.9-9.200113.2Q557 V573Q557-Q575 HydrophobicContact CB-CG 4.35Å; V573-Q575 PolarHBondContact O-N 3.08Å; V573-Q575 VanDerWaalsContact O-N 3.15Å
576D95.3Very high84.1Confident47 Ų4757.8 Ų57.825%0.25128%0.28SS..THydrogen-bonded Turntrans-102.627.1-176.2-166.237.3000112.8R555 I574 T578 N579 M580R555-D576 HydrophobicContact CG-CB 4.09Å; R555-D576 IonicContact CZ-OD2 3.06Å; R555-D576 IonicContact NE-OD2 3.01Å; R555-D576 PolarHBondContact NE-OD2 3.29Å; R555-D576 IonicContact NH2-OD2 2.72Å; R555-D576 PolarHBondContact NH2-OD2 2.87Å; I574-D576 PolarHBondContact O-N 3.48Å; D576-T578 VanDerWaalsContact C-N 3.26Å; D576-T578 PolarHBondContact O-N 3.45Å; D576-N579 PolarHBondContact O-N 3.41Å; D576-N579 WeakPolarHBondContact OD1-CB 3.38Å; D576-N579 PolarHBondContact OD1-ND2 3.47Å; D576-M580 VanDerWaalsContact O-CG 3.3Å; D576-M580 WeakPolarHBondContact O-CG 3.35Å; D576-M580 PolarHBondContact O-N 3.25Å; D576-M580 VanDerWaalsContact O-N 3.15Å
577L98Very high86.8Confident0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-59.2-36.4-173.4-175.560.6000112.6V539 I574 N579 M580 V581 Y601 E618 A621 I622V539-L577 HydrophobicContact CG2-CD1 3.69Å; I574-L577 HydrophobicContact CB-CB 4.06Å; I574-L577 HydrophobicContact CB-CD1 4.49Å; I574-L577 HydrophobicContact CD1-CD1 4.43Å; I574-L577 HydrophobicContact CG2-CB 3.78Å; I574-L577 HydrophobicContact CG2-CD1 4.15Å; I574-L577 WeakPolarHBondContact O-CB 3.45Å; I574-L577 PolarHBondContact O-N 2.87Å; L577-N579 PolarHBondContact O-N 2.93Å; L577-M580 PolarHBondContact O-N 3.25Å; L577-V581 HydrophobicContact CD1-CG2 3.69Å; L577-V581 HydrophobicContact CG-CG2 4Å; L577-V581 WeakPolarHBondContact O-CB 3.44Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.47Å; L577-V581 PolarHBondContact O-N 2.92Å; L577-Y601 HydrophobicContact CD1-CE2 4.41Å; L577-E618 HydrophobicContact CD2-CB 3.5Å; L577-E618 VanDerWaalsContact CD2-CB 3.5Å; L577-E618 HydrophobicContact CD2-CG 3.68Å; L577-A621 HydrophobicContact CB-CB 3.89Å; L577-A621 HydrophobicContact CD2-CB 4.2Å; L577-A621 HydrophobicContact CG-CB 4.21Å; L577-I622 HydrophobicContact CD2-CD1 4.41Å; L577-I622 HydrophobicContact CD2-CG1 4.02Å; L577-I622 HydrophobicContact CG-CG1 4.45Å
578T98.6Very high89.4Confident37 Ų3745.6 Ų45.623%0.22722%0.22CC..Hα-helixtrans-54.3-51.1178.6-53.70000111.5D576 R582 A621 K624 A625D576-T578 VanDerWaalsContact C-N 3.26Å; D576-T578 PolarHBondContact O-N 3.45Å; T578-R582 VanDerWaalsContact O-CB 3.31Å; T578-R582 WeakPolarHBondContact O-CB 3.39Å; T578-R582 PolarHBondContact O-N 3.28Å; T578-A621 WeakPolarHBondContact OG1-CB 3.48Å; T578-K624 HydrophobicContact CG2-CB 3.89Å; T578-A625 HydrophobicContact CG2-CB 4.23Å; T578-A625 VanDerWaalsContact O-CB 3.23Å; T578-A625 WeakPolarHBondContact O-CB 3.47Å
579N98.3Very high91.9Very high77 Ų7742.8 Ų42.841%0.41220%0.199SC..Hα-helixtrans-72-40.6-178.3-68.9-43.4000111.4D576 L577 V581 R582 E583D576-N579 PolarHBondContact O-N 3.41Å; D576-N579 WeakPolarHBondContact OD1-CB 3.38Å; D576-N579 PolarHBondContact OD1-ND2 3.47Å; L577-N579 PolarHBondContact O-N 2.93Å; N579-V581 VanDerWaalsContact C-N 3.32Å; N579-V581 PolarHBondContact O-N 3.46Å; N579-R582 WeakPolarHBondContact O-CB 3.29Å; N579-R582 PolarHBondContact O-N 2.94Å; N579-E583 WeakPolarHBondContact O-CG 3.46Å; N579-E583 PolarHBondContact O-N 3.22Å
580M98.6Very high93.9Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-57.9-43176.5-68.9177.484.400112.3V539 T553 R555 I574 D576 L577 L584V539-M580 HydrophobicContact CB-CB 4.46Å; V539-M580 HydrophobicContact CB-CE 3.86Å; V539-M580 HydrophobicContact CG2-CB 4.35Å; V539-M580 HydrophobicContact CG2-CE 3.56Å; V539-M580 HydrophobicContact CG2-SD 4.04Å; T553-M580 VanDerWaalsContact C-CE 3.48Å; T553-M580 VanDerWaalsContact O-CE 3.24Å; T553-M580 WeakPolarHBondContact O-CE 3.43Å; T553-M580 WeakPolarHBondContact OG1-CB 3.35Å; T553-M580 WeakPolarHBondContact OG1-CE 3.36Å; R555-M580 HydrophobicContact CB-SD 4.34Å; R555-M580 HydrophobicContact CG-CE 4.22Å; R555-M580 HydrophobicContact CG-CG 4.01Å; R555-M580 HydrophobicContact CG-SD 3.66Å; I574-M580 HydrophobicContact CG2-SD 3.76Å; D576-M580 VanDerWaalsContact O-CG 3.3Å; D576-M580 WeakPolarHBondContact O-CG 3.35Å; D576-M580 PolarHBondContact O-N 3.25Å; D576-M580 VanDerWaalsContact O-N 3.15Å; L577-M580 PolarHBondContact O-N 3.25Å; M580-L584 VanDerWaalsContact O-CG 3.31Å; M580-L584 WeakPolarHBondContact O-CG 3.32Å; M580-L584 PolarHBondContact O-N 2.95Å
581V98.9Very high95.6Very high0 Ų043.5 Ų43.50%021%0.208CC..Hα-helixtrans-72-41.9177.2172.50000110.9L519 L577 N579 E583 L584 L585 I622 A625L519-V581 HydrophobicContact CD1-CG1 4.35Å; L519-V581 HydrophobicContact CD1-CG2 4.22Å; L577-V581 HydrophobicContact CD1-CG2 3.69Å; L577-V581 HydrophobicContact CG-CG2 4Å; L577-V581 WeakPolarHBondContact O-CB 3.44Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.47Å; L577-V581 PolarHBondContact O-N 2.92Å; N579-V581 VanDerWaalsContact C-N 3.32Å; N579-V581 PolarHBondContact O-N 3.46Å; V581-E583 VanDerWaalsContact C-N 3.34Å; V581-E583 PolarHBondContact O-N 2.87Å; V581-L584 PolarHBondContact O-N 3.16Å; V581-L584 VanDerWaalsContact O-N 3.16Å; V581-L585 HydrophobicContact CG1-CD1 3.81Å; V581-L585 HydrophobicContact CG1-CG 4.13Å; V581-L585 WeakPolarHBondContact O-CG 3.42Å; V581-L585 PolarHBondContact O-N 3.38Å; V581-I622 HydrophobicContact CG1-CG2 4.44Å; V581-I622 HydrophobicContact CG2-CG1 4.17Å; V581-A625 HydrophobicContact CB-CB 3.85Å; V581-A625 HydrophobicContact CG1-CB 3.74Å
582R98.7Very high96.7Very high84 Ų8441.4 Ų41.432%0.31720%0.2SC..Hα-helixtrans-55.1-48.2175.9-177.8-172.6171.291.40.3111.5T578 N579 L584 L585 I586 A625 S628 L629T578-R582 VanDerWaalsContact O-CB 3.31Å; T578-R582 WeakPolarHBondContact O-CB 3.39Å; T578-R582 PolarHBondContact O-N 3.28Å; N579-R582 WeakPolarHBondContact O-CB 3.29Å; N579-R582 PolarHBondContact O-N 2.94Å; R582-L584 VanDerWaalsContact C-N 3.34Å; R582-L584 PolarHBondContact O-N 3.37Å; R582-L585 PolarHBondContact O-N 3.34Å; R582-I586 HydrophobicContact CG-CD1 4.08Å; R582-I586 WeakPolarHBondContact O-CG1 3.48Å; R582-I586 PolarHBondContact O-N 3Å; R582-A625 HydrophobicContact CB-CB 4.31Å; R582-S628 VanDerWaalsContact NH1-CB 3.34Å; R582-S628 PolarHBondContact NH1-O 2.72Å; R582-S628 PolarHBondContact NH1-OG 3.43Å; R582-L629 HydrophobicContact CG-CD1 4.39Å; R582-L629 HydrophobicContact CG-CD2 3.76Å; R582-L629 HydrophobicContact CG-CG 4.04Å
583E98.3Very high97.3Very high88 Ų8848.6 Ų48.641%0.41123%0.226SC..Hα-helixtrans-57.3-45.5176.5-75.2174.1-145.900111.8T553 R555 N579 V581 I586 Q587T553-E583 HydrophobicContact CG2-CB 3.97Å; T553-E583 VanDerWaalsContact CG2-OE2 3.25Å; T553-E583 WeakPolarHBondContact CG2-OE2 3.35Å; R555-E583 IonicContact CZ-OE1 4Å; R555-E583 IonicContact NH2-OE1 2.73Å; R555-E583 PolarHBondContact NH2-OE1 3.39Å; R555-E583 IonicContact NH2-OE2 2.72Å; N579-E583 WeakPolarHBondContact O-CG 3.46Å; N579-E583 PolarHBondContact O-N 3.22Å; V581-E583 VanDerWaalsContact C-N 3.34Å; V581-E583 PolarHBondContact O-N 2.87Å; E583-I586 PolarHBondContact O-N 2.93Å; E583-Q587 WeakPolarHBondContact O-CB 3.28Å; E583-Q587 PolarHBondContact O-N 2.83Å
584L98.7Very high97.7Very high2 Ų254.2 Ų54.21%0.0125%0.25CS..Hα-helixtrans-67.8-38.5-180-68.3170.8000112.6L519 V539 M543 C551 T553 M580 V581 R582 Q587 F588L519-L584 HydrophobicContact CD2-CD1 4.01Å; V539-L584 HydrophobicContact CB-CD1 4.22Å; V539-L584 HydrophobicContact CG1-CD1 3.65Å; M543-L584 HydrophobicContact CE-CB 4.37Å; M543-L584 HydrophobicContact CE-CD2 3.85Å; C551-L584 HydrophobicContact CB-CD2 4.09Å; T553-L584 HydrophobicContact CG2-CD2 4.16Å; T553-L584 HydrophobicContact CG2-CG 4.01Å; M580-L584 VanDerWaalsContact O-CG 3.31Å; M580-L584 WeakPolarHBondContact O-CG 3.32Å; M580-L584 PolarHBondContact O-N 2.95Å; V581-L584 PolarHBondContact O-N 3.16Å; V581-L584 VanDerWaalsContact O-N 3.16Å; R582-L584 VanDerWaalsContact C-N 3.34Å; R582-L584 PolarHBondContact O-N 3.37Å; L584-Q587 PolarHBondContact O-N 2.83Å; L584-F588 WeakPolarHBondContact O-CB 3.45Å; L584-F588 PolarHBondContact O-N 3.27Å
585L98.8Very high97.8Very high6 Ų658.6 Ų58.63%0.03127%0.269CS..Hα-helixtrans-65.7-43.4176.1-71.7172.9000111.7I517 V581 R582 Q587 F588 Y589 P596 I599 L629 Y633I517-L585 HydrophobicContact CD1-CD2 4.3Å; I517-L585 HydrophobicContact CG2-CD2 4.16Å; V581-L585 HydrophobicContact CG1-CD1 3.81Å; V581-L585 HydrophobicContact CG1-CG 4.13Å; V581-L585 WeakPolarHBondContact O-CG 3.42Å; V581-L585 PolarHBondContact O-N 3.38Å; R582-L585 PolarHBondContact O-N 3.34Å; L585-Q587 VanDerWaalsContact C-N 3.3Å; L585-Q587 PolarHBondContact O-N 3.5Å; L585-F588 PolarHBondContact O-N 2.94Å; L585-Y589 PolarHBondContact O-N 3.12Å; L585-P596 HydrophobicContact CD2-CG 3.9Å; L585-I599 HydrophobicContact CD2-CD1 4.32Å; L585-L629 HydrophobicContact CB-CD1 3.66Å; L585-L629 HydrophobicContact CD1-CD1 3.72Å; L585-L629 HydrophobicContact CG-CD1 4.36Å; L585-Y633 HydrophobicContact CD1-CE1 4.27Å
586I98.5Very high98.1Very high58 Ų5853.6 Ų53.630%0.29725%0.246SC..Hα-helixtrans-59.3-45.6173.4-68.7167.5000109.9R582 E583 Y589 K590 L629R582-I586 HydrophobicContact CG-CD1 4.08Å; R582-I586 WeakPolarHBondContact O-CG1 3.48Å; R582-I586 PolarHBondContact O-N 3Å; E583-I586 PolarHBondContact O-N 2.93Å; I586-Y589 PolarHBondContact O-N 3.21Å; I586-K590 HydrophobicContact CG2-CD 4.21Å; I586-K590 WeakPolarHBondContact O-CG 3.25Å; I586-K590 PolarHBondContact O-N 3.32Å; I586-L629 HydrophobicContact CD1-CD2 3.79Å; I586-L629 HydrophobicContact CG1-CD2 3.58Å
587Q98.1Very high98.3Very high24 Ų2454 Ų5411%0.11225%0.25CS..Hα-helixtrans-68.7-35.6-178.6-171.256.725.100112.7M543 C551 E583 L584 L585 K590 S591 H789M543-Q587 HydrophobicContact SD-CB 4.03Å; M543-Q587 HydrophobicContact SD-CG 3.68Å; C551-Q587 HydrophobicContact CB-CG 4.39Å; E583-Q587 WeakPolarHBondContact O-CB 3.28Å; E583-Q587 PolarHBondContact O-N 2.83Å; L584-Q587 PolarHBondContact O-N 2.83Å; L585-Q587 VanDerWaalsContact C-N 3.3Å; L585-Q587 PolarHBondContact O-N 3.5Å; Q587-K590 PolarHBondContact O-N 3.13Å; Q587-S591 PolarHBondContact NE2-OG 3.43Å; Q587-S591 WeakPolarHBondContact O-CB 3.36Å; Q587-S591 PolarHBondContact O-N 2.98Å; Q587-S591 PolarHBondContact O-OG 2.79Å; Q587-H789 VanDerWaalsContact CD-CE1 3.47Å; Q587-H789 PolarHBondContact NE2-ND1 3.35Å; Q587-H789 PolarHBondContact OE1-CE1 3.25Å; Q587-H789 PolarHBondContact OE1-ND1 3.1Å
588F98.5Very high98.3Very high6 Ų656.7 Ų56.73%0.02626%0.26CS..Hα-helixtrans-59.8-48.5172.4-178.5-84.4000110.7I517 S542 L584 L585 K590 S591 T592 F594 P596I517-F588 HydrophobicContact CB-CD2 4.05Å; I517-F588 HydrophobicContact CB-CE2 4.14Å; I517-F588 HydrophobicContact CD1-CB 3.93Å; I517-F588 HydrophobicContact CD1-CD2 3.94Å; I517-F588 HydrophobicContact CD1-CG 4.15Å; I517-F588 HydrophobicContact CG1-CD2 3.88Å; I517-F588 HydrophobicContact CG1-CE2 4.36Å; S542-F588 VanDerWaalsContact O-CD2 3.26Å; S542-F588 WeakPolarHBondContact O-CD2 3.19Å; L584-F588 WeakPolarHBondContact O-CB 3.45Å; L584-F588 PolarHBondContact O-N 3.27Å; L585-F588 PolarHBondContact O-N 2.94Å; F588-K590 PolarHBondContact O-N 3.07Å; F588-S591 PolarHBondContact O-N 2.69Å; F588-S591 VanDerWaalsContact O-N 3.15Å; F588-T592 HydrophobicContact CD1-CG2 4.41Å; F588-T592 WeakPolarHBondContact CD1-OG1 3.27Å; F588-T592 HydrophobicContact CD2-CG2 4.33Å; F588-T592 HydrophobicContact CE1-CG2 4.15Å; F588-T592 VanDerWaalsContact CE1-OG1 3.23Å; F588-T592 WeakPolarHBondContact CE1-OG1 3.2Å; F588-T592 HydrophobicContact CE2-CG2 4.08Å; F588-T592 HydrophobicContact CZ-CG2 3.99Å; F588-T592 WeakPolarHBondContact O-CB 3.3Å; F588-T592 WeakPolarHBondContact O-CG2 3.49Å; F588-T592 PolarHBondContact O-N 2.89Å; F588-T592 PolarHBondContact O-OG1 3.38Å; F588-F594 VanDerWaalsContact CD1-O 3.26Å; F588-F594 WeakPolarHBondContact CD1-O 3.3Å; F588-F594 HydrophobicContact CE1-CB 4.32Å; F588-F594 VanDerWaalsContact CE1-O 3.31Å; F588-F594 WeakPolarHBondContact CE1-O 3.41Å; F588-P596 HydrophobicContact CD1-CG 3.49Å; F588-P596 VanDerWaalsContact CD1-CG 3.49Å; F588-P596 HydrophobicContact CE1-CG 3.61Å; F588-P596 HydrophobicContact CG-CG 4.01Å; F588-P596 HydrophobicContact CZ-CG 4.21Å
589Y98.4Very high98.3Very high105 Ų10554.9 Ų54.941%0.41225%0.249SC..Hα-helixtrans-62.5-41.6177.7-178-105.2000112L585 I586 S591 R593 K595L585-Y589 PolarHBondContact O-N 3.12Å; I586-Y589 PolarHBondContact O-N 3.21Å; Y589-S591 VanDerWaalsContact C-N 3.28Å; Y589-S591 PolarHBondContact O-N 3.04Å; Y589-R593 WeakPolarHBondContact O-CA 3.22Å; Y589-R593 PolarHBondContact O-N 3.38Å; Y589-K595 HydrophobicContact CD2-CG 4.01Å; Y589-K595 HydrophobicContact CE2-CG 4.2Å
590K97.5Very high98.3Very high119 Ų11951.2 Ų51.252%0.51723%0.23SC..Hα-helixtrans-60.3-38.3174.2-73.7177.7179.2179.80112.5I586 Q587 F588I586-K590 HydrophobicContact CG2-CD 4.21Å; I586-K590 WeakPolarHBondContact O-CG 3.25Å; I586-K590 PolarHBondContact O-N 3.32Å; Q587-K590 PolarHBondContact O-N 3.13Å; F588-K590 PolarHBondContact O-N 3.07Å
591S96.8Very high98.3Very high45 Ų4551.2 Ų51.232%0.31523%0.23SC..Hα-helixtrans-81.2-31.1-175.4-56.70000113.5M543 Q587 F588 Y589M543-S591 WeakPolarHBondContact O-CB 3.36Å; Q587-S591 PolarHBondContact NE2-OG 3.43Å; Q587-S591 WeakPolarHBondContact O-CB 3.36Å; Q587-S591 PolarHBondContact O-N 2.98Å; Q587-S591 PolarHBondContact O-OG 2.79Å; F588-S591 PolarHBondContact O-N 2.69Å; F588-S591 VanDerWaalsContact O-N 3.15Å; Y589-S591 VanDerWaalsContact C-N 3.28Å; Y589-S591 PolarHBondContact O-N 3.04Å
592T97.5Very high98.3Very high29 Ų2951.2 Ų51.218%0.17823%0.23CC..Hα-helixtrans-117.8-20-170.567.20000114F588 F594F588-T592 HydrophobicContact CD1-CG2 4.41Å; F588-T592 WeakPolarHBondContact CD1-OG1 3.27Å; F588-T592 HydrophobicContact CD2-CG2 4.33Å; F588-T592 HydrophobicContact CE1-CG2 4.15Å; F588-T592 VanDerWaalsContact CE1-OG1 3.23Å; F588-T592 WeakPolarHBondContact CE1-OG1 3.2Å; F588-T592 HydrophobicContact CE2-CG2 4.08Å; F588-T592 HydrophobicContact CZ-CG2 3.99Å; F588-T592 WeakPolarHBondContact O-CB 3.3Å; F588-T592 WeakPolarHBondContact O-CG2 3.49Å; F588-T592 PolarHBondContact O-N 2.89Å; F588-T592 PolarHBondContact O-OG1 3.38Å; T592-F594 WeakPolarHBondContact O-CD2 3.45Å; T592-F594 PolarHBondContact O-N 2.69Å; T592-F594 PolarHBondContact OG1-N 3.33Å; T592-F594 VanDerWaalsContact OG1-N 3.14Å; T592-F594 PolarHBondContact OG1-O 3.15Å
593R98.2Very high98.3Very high173 Ų17347.2 Ų47.265%0.65322%0.215SC*.SBendtrans6115.1-167.6-53.7-59-1781730.4114.8Y589Y589-R593 WeakPolarHBondContact O-CA 3.22Å; Y589-R593 PolarHBondContact O-N 3.38Å
594F98.3Very high98.1Very high127 Ų12743.4 Ų43.456%0.55720%0.199SC*.  trans-112.8144.2174.3-68.5-76.7000111.3P515 F588 T592P515-F594 HydrophobicContact CB-CB 3.75Å; P515-F594 HydrophobicContact CB-CG 4.38Å; P515-F594 HydrophobicContact CG-CB 3.64Å; P515-F594 HydrophobicContact CG-CD1 3.73Å; P515-F594 HydrophobicContact CG-CG 3.82Å; F588-F594 VanDerWaalsContact CD1-O 3.26Å; F588-F594 WeakPolarHBondContact CD1-O 3.3Å; F588-F594 HydrophobicContact CE1-CB 4.32Å; F588-F594 VanDerWaalsContact CE1-O 3.31Å; F588-F594 WeakPolarHBondContact CE1-O 3.41Å; T592-F594 WeakPolarHBondContact O-CD2 3.45Å; T592-F594 PolarHBondContact O-N 2.69Å; T592-F594 PolarHBondContact OG1-N 3.33Å; T592-F594 VanDerWaalsContact OG1-N 3.14Å; T592-F594 PolarHBondContact OG1-O 3.15Å
595K98.3Very high97Very high95 Ų9545.4 Ų45.441%0.41322%0.22SC..  trans-87.2127.6165.9-61.6-178.6-173.9173.50108P515 Y589 T597 E630 Y633P515-K595 WeakPolarHBondContact CB-O 3.25Å; Y589-K595 HydrophobicContact CD2-CG 4.01Å; Y589-K595 HydrophobicContact CE2-CG 4.2Å; K595-T597 PolarHBondContact O-N 3.26Å; K595-E630 VanDerWaalsContact NZ-CD 3.34Å; K595-E630 IonicContact NZ-OE1 2.86Å; K595-E630 PolarHBondContact NZ-OE1 2.83Å; K595-E630 IonicContact NZ-OE2 3.58Å; K595-E630 PolarHBondContact NZ-OE2 3.04Å; K595-Y633 HydrophobicContact CB-CE2 4.28Å
596P98.4Very high96.5Very high3 Ų345.3 Ų45.32%0.01922%0.219CC..  trans-57.2128.8175.2-24.232.9000111.4P515 I517 L585 F588 Y633 P635P515-P596 CarbonylContact O-C 3.26Å; P515-P596 WeakPolarHBondContact O-CA 3.44Å; I517-P596 HydrophobicContact CB-CB 4.17Å; I517-P596 HydrophobicContact CB-CG 3.9Å; I517-P596 HydrophobicContact CG2-CB 3.79Å; I517-P596 HydrophobicContact CG2-CG 3.81Å; L585-P596 HydrophobicContact CD2-CG 3.9Å; F588-P596 HydrophobicContact CD1-CG 3.49Å; F588-P596 VanDerWaalsContact CD1-CG 3.49Å; F588-P596 HydrophobicContact CE1-CG 3.61Å; F588-P596 HydrophobicContact CG-CG 4.01Å; F588-P596 HydrophobicContact CZ-CG 4.21Å; P596-Y633 WeakPolarHBondContact CD-OH 3.46Å; P596-Y633 VanDerWaalsContact O-CE2 3.24Å; P596-Y633 WeakPolarHBondContact O-CE2 3.44Å; P596-Y633 PolarHBondContact O-OH 3.41Å; P596-P635 WeakPolarHBondContact O-CB 3.38Å
597T98.4Very high95.6Very high57 Ų5744.9 Ų44.935%0.3522%0.222SC..SBendtrans-83.7-21.2168.356.90000111.4Q514 P515 K595 P635 G636Q514-T597 HydrophobicContact CB-CG2 4.41Å; Q514-T597 VanDerWaalsContact CB-OG1 3.28Å; Q514-T597 WeakPolarHBondContact CB-OG1 3.24Å; Q514-T597 PolarHBondContact OE1-OG1 3.48Å; P515-T597 PolarHBondContact O-N 2.88Å; P515-T597 PolarHBondContact O-OG1 3.23Å; K595-T597 PolarHBondContact O-N 3.26Å; T597-P635 CarbonylContact O-C 3.58Å; T597-P635 VanDerWaalsContact O-CA 3.28Å; T597-P635 WeakPolarHBondContact O-CA 3.42Å; T597-P635 WeakPolarHBondContact O-CB 3.47Å; T597-G636 PolarHBondContact O-N 3.36Å
598R98.6Very high94.6Very high55 Ų5547 Ų4721%0.20823%0.231CC..EExtended strand (participates in β ladder)trans-135.2142.2-178.8-54.7-171.1176.383.612111.6Q514 P515 V516 I517 G636 N707Q514-R598 VanDerWaalsContact OE1-CZ 3.22Å; P515-R598 PolarHBondContact O-N 3.38Å; V516-R598 WeakPolarHBondContact CA-O 3.33Å; V516-R598 HydrophobicContact CB-CB 4.24Å; V516-R598 HydrophobicContact CG2-CB 3.97Å; I517-R598 PolarHBondContact N-O 3.32Å; R598-G636 CarbonylContact C-O 3.44Å; R598-G636 WeakPolarHBondContact CA-O 3.4Å; R598-N707 VanDerWaalsContact CD-OD1 3.27Å; R598-N707 WeakPolarHBondContact CD-OD1 3.38Å; R598-N707 WeakPolarHBondContact CG-OD1 3.2Å
599I98.9Very high93.5Very high0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-120.1115.3173.4-58.5179.6000108.4I517 L519 L585 I622 P635 G636 I637 T638I517-I599 HydrophobicContact CG2-CB 4.24Å; I517-I599 HydrophobicContact CG2-CG1 3.79Å; I517-I599 HydrophobicContact CG2-CG2 4.24Å; L519-I599 HydrophobicContact CD1-CG2 3.6Å; L519-I599 HydrophobicContact CG-CG2 4.09Å; L585-I599 HydrophobicContact CD2-CD1 4.32Å; I599-I622 HydrophobicContact CD1-CG2 3.97Å; I599-I622 HydrophobicContact CG2-CG2 4.42Å; I599-P635 HydrophobicContact CD1-CB 4.43Å; I599-P635 HydrophobicContact CD1-CG 3.65Å; I599-P635 HydrophobicContact CG1-CB 4.24Å; I599-P635 HydrophobicContact CG1-CG 4.01Å; I599-G636 PolarHBondContact N-O 2.66Å; I599-I637 HydrophobicContact CB-CG1 4.37Å; I599-I637 WeakPolarHBondContact O-CA 3.02Å; I599-T638 PolarHBondContact O-N 2.76Å
600I98.9Very high92.8Very high0 Ų047.3 Ų47.30%025%0.254CS..EExtended strand (participates in β ladder)trans-104.4110.9176-47.2-56.4000108.5V511 V516 I517 F518 L519 Y602 I640 F709V511-I600 HydrophobicContact CG2-CD1 4.4Å; V516-I600 HydrophobicContact CG2-CG1 3.74Å; I517-I600 PolarHBondContact O-N 2.99Å; F518-I600 HydrophobicContact CD1-CB 3.81Å; F518-I600 HydrophobicContact CD1-CG1 4.15Å; F518-I600 HydrophobicContact CD1-CG2 4.21Å; F518-I600 HydrophobicContact CE1-CB 4.04Å; F518-I600 HydrophobicContact CE1-CG1 3.9Å; F518-I600 HydrophobicContact CE1-CG2 4.37Å; L519-I600 PolarHBondContact N-O 2.84Å; I600-Y602 HydrophobicContact CG2-CD2 4.28Å; I600-Y602 HydrophobicContact CG2-CE2 3.65Å; I600-I640 HydrophobicContact CG2-CD1 3.95Å; I600-F709 HydrophobicContact CD1-CE2 3.57Å; I600-F709 HydrophobicContact CD1-CZ 3.76Å
601Y98.9Very high92.3Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-110.3108.9-170.1-175.8-104.3000111.9L519 A521 L577 R603 E618 I622 T638 Y639 I640L519-Y601 HydrophobicContact CB-CD2 3.62Å; L519-Y601 HydrophobicContact CB-CE2 4.36Å; L519-Y601 HydrophobicContact CD1-CD2 4.02Å; L519-Y601 HydrophobicContact CG-CD2 4.48Å; A521-Y601 HydrophobicContact CB-CE1 4.45Å; A521-Y601 HydrophobicContact CB-CE2 3.65Å; A521-Y601 VanDerWaalsContact CB-CZ 3.48Å; A521-Y601 WeakPolarHBondContact CB-OH 3.27Å; L577-Y601 HydrophobicContact CD1-CE2 4.41Å; Y601-R603 HydrophobicContact CD1-CB 4.16Å; Y601-R603 HydrophobicContact CE1-CB 3.69Å; Y601-R603 HydrophobicContact CE1-CG 4.19Å; Y601-R603 WeakPolarHBondContact OH-CD 3.09Å; Y601-E618 PolarHBondContact OH-OE2 3.1Å; Y601-I622 HydrophobicContact CD1-CD1 4.14Å; Y601-I622 HydrophobicContact CD2-CD1 4.02Å; Y601-I622 HydrophobicContact CE1-CD1 4.39Å; Y601-I622 HydrophobicContact CE2-CD1 4.32Å; Y601-I622 HydrophobicContact CG-CD1 3.94Å; Y601-T638 PolarHBondContact N-O 3.06Å; Y601-Y639 AromaticContact CD1-CD2 3.46Å; Y601-Y639 HydrophobicContact CD1-CD2 3.46Å; Y601-Y639 VanDerWaalsContact CD1-CD2 3.46Å; Y601-Y639 HydrophobicContact CD1-CE1 4.46Å; Y601-Y639 AromaticContact CD1-CE2 3.39Å; Y601-Y639 HydrophobicContact CD1-CE2 3.39Å; Y601-Y639 HydrophobicContact CD1-CG 4.04Å; Y601-Y639 AromaticContact CD1-CZ 3.93Å; Y601-Y639 AromaticContact CE1-CD2 3.91Å; Y601-Y639 HydrophobicContact CE1-CD2 3.91Å; Y601-Y639 AromaticContact CE1-CE2 3.31Å; Y601-Y639 HydrophobicContact CE1-CE2 3.31Å; Y601-Y639 AromaticContact CE1-CZ 3.67Å; Y601-Y639 HydrophobicContact CG-CD2 4.44Å; Y601-I640 PolarHBondContact O-N 2.94Å
602Y98.8Very high91.6Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-95.2107.5174.1-70-86.5000111.1L519 G520 A521 I600 I640 V642 Y700 T718 L721 P735 P737L519-Y602 PolarHBondContact O-N 3.39Å; G520-Y602 WeakPolarHBondContact CA-O 3.4Å; A521-Y602 PolarHBondContact N-O 3.01Å; I600-Y602 HydrophobicContact CG2-CD2 4.28Å; I600-Y602 HydrophobicContact CG2-CE2 3.65Å; Y602-I640 CarbonylContact C-O 3.47Å; Y602-I640 WeakPolarHBondContact CA-O 3.15Å; Y602-I640 HydrophobicContact CD1-CB 4.1Å; Y602-I640 HydrophobicContact CD1-CD1 4.11Å; Y602-I640 HydrophobicContact CD1-CG2 4.12Å; Y602-I640 HydrophobicContact CE1-CB 4.31Å; Y602-I640 HydrophobicContact CE1-CD1 3.62Å; Y602-I640 HydrophobicContact CE1-CG2 4.15Å; Y602-I640 HydrophobicContact CE2-CD1 4.26Å; Y602-V642 HydrophobicContact CD1-CG2 3.62Å; Y602-V642 HydrophobicContact CG-CG2 4.34Å; Y602-Y700 HydrophobicContact CE1-CD1 4.36Å; Y602-Y700 HydrophobicContact CE1-CE1 4.39Å; Y602-T718 HydrophobicContact CE1-CG2 4.22Å; Y602-T718 PolarHBondContact OH-OG1 3.32Å; Y602-L721 HydrophobicContact CD2-CD1 4.5Å; Y602-L721 HydrophobicContact CE2-CD1 3.53Å; Y602-P735 HydrophobicContact CD1-CB 4.49Å; Y602-P735 HydrophobicContact CD1-CG 3.9Å; Y602-P735 HydrophobicContact CE1-CG 3.77Å; Y602-P735 HydrophobicContact CG-CG 4.4Å; Y602-P737 HydrophobicContact CD2-CG 4.13Å
603R97.9Very high91.1Very high0 Ų049.4 Ų49.40%026%0.257CS..EExtended strand (participates in β ladder)trans-97.5108.7179.8-174.873.4-177.672.814111.4E572 Y601 V606 E618 Y639 I640 V641 V642E572-R603 PolarHBondContact O-NH2 3.49Å; Y601-R603 HydrophobicContact CD1-CB 4.16Å; Y601-R603 HydrophobicContact CE1-CB 3.69Å; Y601-R603 HydrophobicContact CE1-CG 4.19Å; Y601-R603 WeakPolarHBondContact OH-CD 3.09Å; R603-V606 HydrophobicContact CG-CG2 3.67Å; R603-E618 WeakPolarHBondContact CD-OE2 3.45Å; R603-E618 IonicContact CZ-OE1 3.21Å; R603-E618 IonicContact NE-OE1 3.93Å; R603-E618 PolarHBondContact NE-OE1 2.72Å; R603-E618 IonicContact NE-OE2 3.82Å; R603-E618 PolarHBondContact NE-OE2 3.34Å; R603-E618 IonicContact NH2-OE1 3.49Å; R603-Y639 HydrophobicContact CB-CE1 4.02Å; R603-Y639 HydrophobicContact CG-CE1 4.45Å; R603-Y639 WeakPolarHBondContact CG-OH 3.08Å; R603-I640 PolarHBondContact N-O 2.83Å; R603-V641 HydrophobicContact CB-CG2 4.49Å; R603-V641 CarbonylContact O-C 3.58Å; R603-V641 WeakPolarHBondContact O-CA 3.42Å; R603-V642 PolarHBondContact O-N 3.1Å
604G93.4Very high90.8Very high8 Ų841.2 Ų41.28%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-96.8146176.800000114A521A521-G604 PolarHBondContact O-N 2.7Å
605G76.3Confident90.6Very high43 Ų4335.5 Ų35.544%0.44320%0.203SC..SBendtrans95.11.7170.100000116.1
606V87.2Confident90.3Very high4 Ų437.5 Ų37.52%0.02421%0.208CC..  trans-82.1133.2174.3-176.90000110.6R603 Q610 M611 V614 V641 Q643R603-V606 HydrophobicContact CG-CG2 3.67Å; V606-Q610 HydrophobicContact CG1-CB 4.34Å; V606-M611 HydrophobicContact CG1-CG 4.13Å; V606-V614 HydrophobicContact CG1-CB 4.16Å; V606-V614 HydrophobicContact CG1-CG2 4.06Å; V606-V614 HydrophobicContact CG2-CB 4.47Å; V606-V614 HydrophobicContact CG2-CG1 3.96Å; V606-V641 HydrophobicContact CB-CG1 4.2Å; V606-Q643 PolarHBondContact O-NE2 3.09Å
607S79.7Confident90.1Very high50 Ų5039.1 Ų39.135%0.3522%0.219SC..  trans-76.4149.817380.70000111.2G609 Q610 M611S607-G609 VanDerWaalsContact C-N 3.33Å; S607-G609 PolarHBondContact O-N 3.4Å; S607-Q610 PolarHBondContact O-N 3.21Å; S607-Q610 WeakPolarHBondContact OG-CG 3.35Å; S607-Q610 PolarHBondContact OG-OE1 3.29Å; S607-M611 PolarHBondContact O-N 3.25Å
608E77.6Confident90.1Very high67 Ų6736.4 Ų36.431%0.31320%0.202SC..G310 helixtrans-52.2-48.3-177.9-178.8179.4-157.400112.8R102 R130 Q610 M611R102-E608 IonicContact NH1-OE2 2.87Å; R130-E608 IonicContact CZ-OE1 3.9Å; R130-E608 IonicContact CZ-OE2 3.44Å; R130-E608 IonicContact NH1-OE1 3.51Å; R130-E608 PolarHBondContact NH1-OE1 2.68Å; R130-E608 IonicContact NH1-OE2 2.75Å; R130-E608 PolarHBondContact NH1-OE2 3.15Å; R130-E608 IonicContact NH2-OE1 2.77Å; R130-E608 PolarHBondContact NH2-OE1 2.84Å; R130-E608 IonicContact NH2-OE2 3.76Å; E608-Q610 PolarHBondContact O-N 3.13Å; E608-M611 WeakPolarHBondContact O-CG 3.21Å; E608-M611 PolarHBondContact O-N 3.29Å
609G76.1Confident90Very high64 Ų6434 Ų3466%0.6619%0.193SC*.G310 helixtrans-69.3-1.318000000115.3S607S607-G609 VanDerWaalsContact C-N 3.33Å; S607-G609 PolarHBondContact O-N 3.4Å
610Q82.6Confident90Very high55 Ų5537.9 Ų37.926%0.25721%0.213SC..G310 helixtrans-118.8-2.4178.8-66.7173.5-55.300112.8S570 V606 S607 E608 K612 Q613 V614S570-Q610 PolarHBondContact OG-NE2 2.79Å; S570-Q610 VanDerWaalsContact OG-NE2 3.13Å; V606-Q610 HydrophobicContact CG1-CB 4.34Å; S607-Q610 PolarHBondContact O-N 3.21Å; S607-Q610 WeakPolarHBondContact OG-CG 3.35Å; S607-Q610 PolarHBondContact OG-OE1 3.29Å; E608-Q610 PolarHBondContact O-N 3.13Å; Q610-K612 PolarHBondContact O-N 2.91Å; Q610-Q613 PolarHBondContact O-N 3.32Å; Q610-V614 HydrophobicContact CB-CG2 4.33Å; Q610-V614 VanDerWaalsContact O-CG2 3.3Å; Q610-V614 WeakPolarHBondContact O-CG2 3.17Å; Q610-V614 PolarHBondContact O-N 2.93Å
611M87.1Confident89.9Confident7 Ų738.5 Ų38.53%0.03422%0.218CC..Hα-helixtrans-54.2-57.2-174.4-76.5172.1168.300112.8V606 S607 E608 Q613 V614 A615 V641 Q643 Q701 L703V606-M611 HydrophobicContact CG1-CG 4.13Å; S607-M611 PolarHBondContact O-N 3.25Å; E608-M611 WeakPolarHBondContact O-CG 3.21Å; E608-M611 PolarHBondContact O-N 3.29Å; M611-Q613 VanDerWaalsContact C-N 3.3Å; M611-Q613 PolarHBondContact O-N 2.85Å; M611-V614 PolarHBondContact O-N 3.06Å; M611-V614 VanDerWaalsContact O-N 3.16Å; M611-A615 WeakPolarHBondContact O-CB 3.3Å; M611-A615 PolarHBondContact O-N 2.91Å; M611-V641 HydrophobicContact CE-CB 4.33Å; M611-V641 HydrophobicContact CE-CG1 3.81Å; M611-V641 HydrophobicContact CG-CG1 4.45Å; M611-V641 HydrophobicContact CG-CG2 4.49Å; M611-Q643 HydrophobicContact CE-CG 3.94Å; M611-Q643 VanDerWaalsContact CE-NE2 3.27Å; M611-Q701 HydrophobicContact CE-CB 4.5Å; M611-Q701 PolarHBondContact SD-OE1 3.15Å; M611-L703 HydrophobicContact CB-CD1 4.02Å
612K83.6Confident89.9Confident103 Ų10338.5 Ų38.545%0.44822%0.218SC..Hα-helixtrans-60.6-39.8179.8-65.6-174.9178.2-178.70111.8Q610 V614 E680Q610-K612 PolarHBondContact O-N 2.91Å; K612-V614 VanDerWaalsContact C-N 3.3Å; K612-V614 PolarHBondContact O-N 3.2Å; K612-E680 IonicContact NZ-OE1 3.3Å
613Q86.8Confident89.9Confident127 Ų12742.8 Ų42.859%0.59323%0.234SC*.Hα-helixtrans-66.3-29.7178.6-66.1179.5-6.100113.3Q610 M611 P617Q610-Q613 PolarHBondContact O-N 3.32Å; M611-Q613 VanDerWaalsContact C-N 3.3Å; M611-Q613 PolarHBondContact O-N 2.85Å; Q613-P617 WeakPolarHBondContact O-CD 3.44Å; Q613-P617 WeakPolarHBondContact O-CG 3.45Å
614V91.3Very high90Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-87.9-39.4179.2174.40000111.7E572 V573 V606 Q610 M611 K612 W616 P617 E618E572-V614 HydrophobicContact CB-CG2 3.59Å; V573-V614 HydrophobicContact CG2-CB 4.49Å; V573-V614 HydrophobicContact CG2-CG2 4.13Å; V606-V614 HydrophobicContact CG1-CB 4.16Å; V606-V614 HydrophobicContact CG1-CG2 4.06Å; V606-V614 HydrophobicContact CG2-CB 4.47Å; V606-V614 HydrophobicContact CG2-CG1 3.96Å; Q610-V614 HydrophobicContact CB-CG2 4.33Å; Q610-V614 VanDerWaalsContact O-CG2 3.3Å; Q610-V614 WeakPolarHBondContact O-CG2 3.17Å; Q610-V614 PolarHBondContact O-N 2.93Å; M611-V614 PolarHBondContact O-N 3.06Å; M611-V614 VanDerWaalsContact O-N 3.16Å; K612-V614 VanDerWaalsContact C-N 3.3Å; K612-V614 PolarHBondContact O-N 3.2Å; V614-W616 PolarHBondContact O-N 2.88Å; V614-P617 WeakPolarHBondContact O-CD 3.31Å; V614-E618 HydrophobicContact CG1-CG 4.26Å; V614-E618 WeakPolarHBondContact CG1-OE1 3.43Å; V614-E618 WeakPolarHBondContact O-CB 3.34Å; V614-E618 WeakPolarHBondContact O-CG 3.44Å; V614-E618 PolarHBondContact O-N 3.29Å
615A92.9Very high90.2Very high8 Ų848.2 Ų48.27%0.06626%0.256CS..Hα-helixtrans-63.5-45-173.900000112.9M611 E618 L619 Y639 L703M611-A615 WeakPolarHBondContact O-CB 3.3Å; M611-A615 PolarHBondContact O-N 2.91Å; A615-E618 PolarHBondContact O-N 3.35Å; A615-L619 VanDerWaalsContact O-CB 3.25Å; A615-L619 WeakPolarHBondContact O-CB 3.4Å; A615-L619 PolarHBondContact O-N 3.39Å; A615-Y639 HydrophobicContact CB-CE1 4.09Å; A615-L703 HydrophobicContact CB-CB 4.24Å; A615-L703 HydrophobicContact CB-CD1 3.56Å
616W92.6Very high91.3Very high136 Ų13646.3 Ų46.352%0.51524%0.235SC..Hα-helixtrans-63-52.4-175.8-66.9123.4000113.7V614 E618 L619 I620 W704V614-W616 PolarHBondContact O-N 2.88Å; W616-E618 VanDerWaalsContact C-N 3.3Å; W616-E618 PolarHBondContact O-N 2.85Å; W616-L619 HydrophobicContact CE3-CD2 4.22Å; W616-L619 HydrophobicContact CZ3-CD2 4.06Å; W616-L619 PolarHBondContact O-N 2.83Å; W616-I620 WeakPolarHBondContact O-CD1 3.45Å; W616-I620 VanDerWaalsContact O-CG1 3.28Å; W616-I620 WeakPolarHBondContact O-CG1 3.4Å; W616-I620 PolarHBondContact O-N 2.87Å; W616-I620 VanDerWaalsContact O-N 3.11Å; W616-W704 AromaticContact CH2-CE3 3.94Å; W616-W704 HydrophobicContact CH2-CE3 3.94Å; W616-W704 AromaticContact CH2-CZ3 3.74Å; W616-W704 HydrophobicContact CH2-CZ3 3.74Å; W616-W704 AromaticContact CZ3-CE3 3.82Å; W616-W704 HydrophobicContact CZ3-CE3 3.82Å; W616-W704 AromaticContact CZ3-CZ3 3.75Å; W616-W704 HydrophobicContact CZ3-CZ3 3.75Å
617P94.9Very high91.8Very high38 Ų3849.6 Ų49.625%0.24725%0.252CS..Hα-helixtrans-60.6-38.4177-23.634.7000112.9V573 Q613 V614 A621V573-P617 HydrophobicContact CG1-CB 4.07Å; Q613-P617 WeakPolarHBondContact O-CD 3.44Å; Q613-P617 WeakPolarHBondContact O-CG 3.45Å; V614-P617 WeakPolarHBondContact O-CD 3.31Å; P617-A621 WeakPolarHBondContact O-CB 3.26Å; P617-A621 PolarHBondContact O-N 3.5Å
618E97.4Very high92.7Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-72.2-40.6-178.8-72.7-171.9177.100112.7V573 I574 L577 Y601 R603 V614 A615 W616 I620 A621 I622 Y639V573-E618 HydrophobicContact CG1-CG 4.32Å; I574-E618 WeakPolarHBondContact CG1-OE1 3.26Å; I574-E618 PolarHBondContact N-OE1 3.09Å; L577-E618 HydrophobicContact CD2-CB 3.5Å; L577-E618 VanDerWaalsContact CD2-CB 3.5Å; L577-E618 HydrophobicContact CD2-CG 3.68Å; Y601-E618 PolarHBondContact OH-OE2 3.1Å; R603-E618 WeakPolarHBondContact CD-OE2 3.45Å; R603-E618 IonicContact CZ-OE1 3.21Å; R603-E618 IonicContact NE-OE1 3.93Å; R603-E618 PolarHBondContact NE-OE1 2.72Å; R603-E618 IonicContact NE-OE2 3.82Å; R603-E618 PolarHBondContact NE-OE2 3.34Å; R603-E618 IonicContact NH2-OE1 3.49Å; V614-E618 HydrophobicContact CG1-CG 4.26Å; V614-E618 WeakPolarHBondContact CG1-OE1 3.43Å; V614-E618 WeakPolarHBondContact O-CB 3.34Å; V614-E618 WeakPolarHBondContact O-CG 3.44Å; V614-E618 PolarHBondContact O-N 3.29Å; A615-E618 PolarHBondContact O-N 3.35Å; W616-E618 VanDerWaalsContact C-N 3.3Å; W616-E618 PolarHBondContact O-N 2.85Å; E618-I620 VanDerWaalsContact C-N 3.31Å; E618-I620 PolarHBondContact O-N 3.33Å; E618-A621 WeakPolarHBondContact O-CB 3.47Å; E618-A621 PolarHBondContact O-N 3.39Å; E618-A621 VanDerWaalsContact O-N 3.12Å; E618-I622 WeakPolarHBondContact O-CG1 3.4Å; E618-I622 PolarHBondContact O-N 3.31Å; E618-Y639 HydrophobicContact CB-CE2 3.99Å; E618-Y639 PolarHBondContact OE2-OH 3.45Å
619L97.8Very high93.7Very high4 Ų449.6 Ų49.62%0.02125%0.254CS..Hα-helixtrans-60-44.1174-179.665.9000110.9A615 W616 A621 I622 R623 I637 W704A615-L619 VanDerWaalsContact O-CB 3.25Å; A615-L619 WeakPolarHBondContact O-CB 3.4Å; A615-L619 PolarHBondContact O-N 3.39Å; W616-L619 HydrophobicContact CE3-CD2 4.22Å; W616-L619 HydrophobicContact CZ3-CD2 4.06Å; W616-L619 PolarHBondContact O-N 2.83Å; L619-A621 VanDerWaalsContact C-N 3.3Å; L619-A621 PolarHBondContact O-N 3.36Å; L619-I622 PolarHBondContact O-N 3.34Å; L619-R623 WeakPolarHBondContact O-CG 3.49Å; L619-R623 PolarHBondContact O-N 3.19Å; L619-I637 HydrophobicContact CD1-CB 4.17Å; L619-I637 HydrophobicContact CD1-CD1 3.94Å; L619-I637 HydrophobicContact CD1-CG2 3.75Å; L619-W704 HydrophobicContact CD1-CB 4.44Å; L619-W704 HydrophobicContact CD1-CG 4.04Å; L619-W704 HydrophobicContact CD2-CB 4.16Å; L619-W704 HydrophobicContact CD2-CD2 3.51Å; L619-W704 HydrophobicContact CD2-CE3 3.83Å; L619-W704 HydrophobicContact CD2-CG 3.63Å
620I97.8Very high94.7Very high82 Ų8250.7 Ų50.742%0.42124%0.242SC..Hα-helixtrans-60.1-42.2174.2-68.4166.5000110.5W616 E618 R623 K624W616-I620 WeakPolarHBondContact O-CD1 3.45Å; W616-I620 VanDerWaalsContact O-CG1 3.28Å; W616-I620 WeakPolarHBondContact O-CG1 3.4Å; W616-I620 PolarHBondContact O-N 2.87Å; W616-I620 VanDerWaalsContact O-N 3.11Å; E618-I620 VanDerWaalsContact C-N 3.31Å; E618-I620 PolarHBondContact O-N 3.33Å; I620-R623 PolarHBondContact O-N 2.81Å; I620-K624 HydrophobicContact CG2-CD 3.99Å; I620-K624 HydrophobicContact CG2-CG 4.3Å; I620-K624 WeakPolarHBondContact O-CB 3.42Å; I620-K624 VanDerWaalsContact O-CG 3.32Å; I620-K624 WeakPolarHBondContact O-CG 3.42Å; I620-K624 PolarHBondContact O-N 2.87Å
621A98.3Very high95.3Very high12 Ų1255.4 Ų55.410%0.09926%0.264CS..Hα-helixtrans-64.1-40.7178.200000112.7L577 T578 P617 E618 L619 K624 A625L577-A621 HydrophobicContact CB-CB 3.89Å; L577-A621 HydrophobicContact CD2-CB 4.2Å; L577-A621 HydrophobicContact CG-CB 4.21Å; T578-A621 WeakPolarHBondContact OG1-CB 3.48Å; P617-A621 WeakPolarHBondContact O-CB 3.26Å; P617-A621 PolarHBondContact O-N 3.5Å; E618-A621 WeakPolarHBondContact O-CB 3.47Å; E618-A621 PolarHBondContact O-N 3.39Å; E618-A621 VanDerWaalsContact O-N 3.12Å; L619-A621 VanDerWaalsContact C-N 3.3Å; L619-A621 PolarHBondContact O-N 3.36Å; A621-K624 PolarHBondContact O-N 2.78Å; A621-A625 PolarHBondContact O-N 2.86Å
622I98.8Very high95.7Very high0 Ų061.5 Ų61.50%030%0.297CS..Hα-helixtrans-62.4-45.2174.6-63.9164.3000110.4L577 V581 I599 Y601 E618 L619 A625 C626 I637 Y639L577-I622 HydrophobicContact CD2-CD1 4.41Å; L577-I622 HydrophobicContact CD2-CG1 4.02Å; L577-I622 HydrophobicContact CG-CG1 4.45Å; V581-I622 HydrophobicContact CG1-CG2 4.44Å; V581-I622 HydrophobicContact CG2-CG1 4.17Å; I599-I622 HydrophobicContact CD1-CG2 3.97Å; I599-I622 HydrophobicContact CG2-CG2 4.42Å; Y601-I622 HydrophobicContact CD1-CD1 4.14Å; Y601-I622 HydrophobicContact CD2-CD1 4.02Å; Y601-I622 HydrophobicContact CE1-CD1 4.39Å; Y601-I622 HydrophobicContact CE2-CD1 4.32Å; Y601-I622 HydrophobicContact CG-CD1 3.94Å; E618-I622 WeakPolarHBondContact O-CG1 3.4Å; E618-I622 PolarHBondContact O-N 3.31Å; L619-I622 PolarHBondContact O-N 3.34Å; I622-A625 WeakPolarHBondContact O-CB 3.3Å; I622-A625 PolarHBondContact O-N 3.27Å; I622-C626 PolarHBondContact O-N 3.41Å; I622-C626 PolarHBondContact O-SG 3.13Å; I622-I637 HydrophobicContact CB-CD1 4.2Å; I622-I637 HydrophobicContact CG2-CD1 3.59Å; I622-I637 HydrophobicContact CG2-CG1 4.13Å; I622-Y639 HydrophobicContact CD1-CD2 4.47Å
623R98.6Very high96.5Very high90 Ų9057.8 Ų57.834%0.3428%0.28SS..Hα-helixtrans-61.7-45.2176-72.3179173.3165.60.1111.9L619 I620 A625 C626 I627 I637 D706L619-R623 WeakPolarHBondContact O-CG 3.49Å; L619-R623 PolarHBondContact O-N 3.19Å; I620-R623 PolarHBondContact O-N 2.81Å; R623-A625 VanDerWaalsContact C-N 3.28Å; R623-A625 PolarHBondContact O-N 3.47Å; R623-C626 WeakPolarHBondContact O-CB 3.47Å; R623-C626 PolarHBondContact O-N 2.97Å; R623-C626 VanDerWaalsContact O-N 3.13Å; R623-I627 WeakPolarHBondContact O-CD1 3.3Å; R623-I627 WeakPolarHBondContact O-CG1 3.48Å; R623-I627 PolarHBondContact O-N 3.01Å; R623-I637 HydrophobicContact CG-CD1 3.62Å; R623-D706 IonicContact NH2-OD1 2.7Å; R623-D706 IonicContact NH2-OD2 3.97Å
624K98.5Very high97Very high123 Ų12358.5 Ų58.554%0.53528%0.278SS..Hα-helixtrans-58.4-39.2175-77.5178.1177.6179.50112T578 I620 A621 C626 I627 S628T578-K624 HydrophobicContact CG2-CB 3.89Å; I620-K624 HydrophobicContact CG2-CD 3.99Å; I620-K624 HydrophobicContact CG2-CG 4.3Å; I620-K624 WeakPolarHBondContact O-CB 3.42Å; I620-K624 VanDerWaalsContact O-CG 3.32Å; I620-K624 WeakPolarHBondContact O-CG 3.42Å; I620-K624 PolarHBondContact O-N 2.87Å; A621-K624 PolarHBondContact O-N 2.78Å; K624-C626 VanDerWaalsContact C-N 3.33Å; K624-C626 PolarHBondContact O-N 2.74Å; K624-I627 PolarHBondContact O-N 2.72Å; K624-S628 VanDerWaalsContact O-CB 3.25Å; K624-S628 WeakPolarHBondContact O-CB 3.42Å; K624-S628 PolarHBondContact O-N 2.79Å; K624-S628 PolarHBondContact O-OG 2.7Å
625A98.7Very high97.3Very high0 Ų059.1 Ų59.10%028%0.281CS..Hα-helixtrans-61.1-43.6176.200000111.3T578 V581 R582 A621 I622 R623 S628 L629T578-A625 HydrophobicContact CG2-CB 4.23Å; T578-A625 VanDerWaalsContact O-CB 3.23Å; T578-A625 WeakPolarHBondContact O-CB 3.47Å; V581-A625 HydrophobicContact CB-CB 3.85Å; V581-A625 HydrophobicContact CG1-CB 3.74Å; R582-A625 HydrophobicContact CB-CB 4.31Å; A621-A625 PolarHBondContact O-N 2.86Å; I622-A625 WeakPolarHBondContact O-CB 3.3Å; I622-A625 PolarHBondContact O-N 3.27Å; R623-A625 VanDerWaalsContact C-N 3.28Å; R623-A625 PolarHBondContact O-N 3.47Å; A625-S628 PolarHBondContact O-N 3.18Å; A625-S628 PolarHBondContact O-OG 3.03Å; A625-L629 WeakPolarHBondContact O-CG 3.28Å; A625-L629 PolarHBondContact O-N 3.42Å
626C98.7Very high97.6Very high3 Ų359.4 Ų59.42%0.0229%0.285CS..Hα-helixtrans-64.3-52.5177.5-58.10000111.6I622 R623 K624 S628 L629 E630 Y633 P635I622-C626 PolarHBondContact O-N 3.41Å; I622-C626 PolarHBondContact O-SG 3.13Å; R623-C626 WeakPolarHBondContact O-CB 3.47Å; R623-C626 PolarHBondContact O-N 2.97Å; R623-C626 VanDerWaalsContact O-N 3.13Å; K624-C626 VanDerWaalsContact C-N 3.33Å; K624-C626 PolarHBondContact O-N 2.74Å; C626-S628 VanDerWaalsContact C-N 3.25Å; C626-S628 PolarHBondContact O-N 2.67Å; C626-L629 WeakPolarHBondContact O-CB 3.42Å; C626-L629 PolarHBondContact O-N 3.07Å; C626-E630 PolarHBondContact O-N 2.75Å; C626-Y633 HydrophobicContact CB-CD1 3.6Å; C626-Y633 HydrophobicContact CB-CE1 3.88Å; C626-Y633 HydrophobicContact CB-CG 4.45Å; C626-Y633 WeakPolarHBondContact CB-O 3.42Å; C626-P635 HydrophobicContact CB-CG 4.39Å
627I98.3Very high97.9Very high72 Ų7253 Ų5337%0.36926%0.261SS..Hα-helixtrans-54.8-42.3177.2-65.6156.1000111.4R623 K624 L629 E630R623-I627 WeakPolarHBondContact O-CD1 3.3Å; R623-I627 WeakPolarHBondContact O-CG1 3.48Å; R623-I627 PolarHBondContact O-N 3.01Å; K624-I627 PolarHBondContact O-N 2.72Å; I627-L629 PolarHBondContact O-N 2.92Å; I627-E630 CarbonylContact O-C 3.45Å; I627-E630 VanDerWaalsContact O-C 3.29Å; I627-E630 PolarHBondContact O-N 3.49Å
628S98.3Very high98.1Very high56 Ų5651.2 Ų51.239%0.39225%0.249SC..Hα-helixtrans-66.2-21.9-177.575.70000113.5R582 K624 A625 C626R582-S628 VanDerWaalsContact NH1-CB 3.34Å; R582-S628 PolarHBondContact NH1-O 2.72Å; R582-S628 PolarHBondContact NH1-OG 3.43Å; K624-S628 VanDerWaalsContact O-CB 3.25Å; K624-S628 WeakPolarHBondContact O-CB 3.42Å; K624-S628 PolarHBondContact O-N 2.79Å; K624-S628 PolarHBondContact O-OG 2.7Å; A625-S628 PolarHBondContact O-N 3.18Å; A625-S628 PolarHBondContact O-OG 3.03Å; C626-S628 VanDerWaalsContact C-N 3.25Å; C626-S628 PolarHBondContact O-N 2.67Å
629L98Very high98.2Very high61 Ų6151.3 Ų51.332%0.31925%0.25SC..Hα-helixtrans-85-38.7178.2-72167.9000111.3R582 L585 I586 A625 C626 I627R582-L629 HydrophobicContact CG-CD1 4.39Å; R582-L629 HydrophobicContact CG-CD2 3.76Å; R582-L629 HydrophobicContact CG-CG 4.04Å; L585-L629 HydrophobicContact CB-CD1 3.66Å; L585-L629 HydrophobicContact CD1-CD1 3.72Å; L585-L629 HydrophobicContact CG-CD1 4.36Å; I586-L629 HydrophobicContact CD1-CD2 3.79Å; I586-L629 HydrophobicContact CG1-CD2 3.58Å; A625-L629 WeakPolarHBondContact O-CG 3.28Å; A625-L629 PolarHBondContact O-N 3.42Å; C626-L629 WeakPolarHBondContact O-CB 3.42Å; C626-L629 PolarHBondContact O-N 3.07Å; I627-L629 PolarHBondContact O-N 2.92Å
630E97.9Very high98.2Very high88 Ų8851.1 Ų51.141%0.41125%0.249SC..  trans-160.1132.1179.8175.6172.4121.900108.9K595 C626 I627 D632 Y633K595-E630 VanDerWaalsContact NZ-CD 3.34Å; K595-E630 IonicContact NZ-OE1 2.86Å; K595-E630 PolarHBondContact NZ-OE1 2.83Å; K595-E630 IonicContact NZ-OE2 3.58Å; K595-E630 PolarHBondContact NZ-OE2 3.04Å; C626-E630 PolarHBondContact O-N 2.75Å; I627-E630 CarbonylContact O-C 3.45Å; I627-E630 VanDerWaalsContact O-C 3.29Å; I627-E630 PolarHBondContact O-N 3.49Å; E630-D632 VanDerWaalsContact C-N 3.3Å; E630-D632 PolarHBondContact O-N 3.42Å; E630-Y633 WeakPolarHBondContact O-CB 3.24Å; E630-Y633 PolarHBondContact O-N 3.46Å
631E95Very high98.2Very high154 Ų15447.2 Ų47.272%0.7223%0.229SC*.THydrogen-bonded Turntrans-54.8-43-167.6-172.4170.6-176.900112.9R634E631-R634 PolarHBondContact O-NH1 2.95Å; E631-R634 PolarHBondContact O-NH2 3.23Å
632D96.6Very high98.2Very high134 Ų13446.9 Ų46.972%0.71723%0.226SC*.THydrogen-bonded Turntrans-96.33.6-178-65.1-41.6000114.5E630 R634E630-D632 VanDerWaalsContact C-N 3.3Å; E630-D632 PolarHBondContact O-N 3.42Å; D632-R634 PolarHBondContact O-N 2.95Å
633Y98.4Very high98Very high26 Ų2648 Ų4810%0.10223%0.23CC..  trans-73.1106.1-179.2178.9-125.2000110.7L585 K595 P596 C626 E630 P635L585-Y633 HydrophobicContact CD1-CE1 4.27Å; K595-Y633 HydrophobicContact CB-CE2 4.28Å; P596-Y633 WeakPolarHBondContact CD-OH 3.46Å; P596-Y633 VanDerWaalsContact O-CE2 3.24Å; P596-Y633 WeakPolarHBondContact O-CE2 3.44Å; P596-Y633 PolarHBondContact O-OH 3.41Å; C626-Y633 HydrophobicContact CB-CD1 3.6Å; C626-Y633 HydrophobicContact CB-CE1 3.88Å; C626-Y633 HydrophobicContact CB-CG 4.45Å; C626-Y633 WeakPolarHBondContact CB-O 3.42Å; E630-Y633 WeakPolarHBondContact O-CB 3.24Å; E630-Y633 PolarHBondContact O-N 3.46Å; Y633-P635 HydrophobicContact CE1-CG 4.03Å; Y633-P635 HydrophobicContact CE2-CB 4.17Å; Y633-P635 HydrophobicContact CE2-CG 4.02Å
634R98.1Very high97.6Very high142 Ų14246.7 Ų46.754%0.53623%0.227SC..  trans-130.167.4-175.7-61.5-68.7-179.8-74.6-11.9111.2E631 D632E631-R634 PolarHBondContact O-NH1 2.95Å; E631-R634 PolarHBondContact O-NH2 3.23Å; D632-R634 PolarHBondContact O-N 2.95Å
635P98.4Very high97.2Very high12 Ų1250.6 Ų50.68%0.07824%0.239CC..  trans-65.8148.417631-36000110.8P596 T597 I599 C626 Y633 I637P596-P635 WeakPolarHBondContact O-CB 3.38Å; T597-P635 CarbonylContact O-C 3.58Å; T597-P635 VanDerWaalsContact O-CA 3.28Å; T597-P635 WeakPolarHBondContact O-CA 3.42Å; T597-P635 WeakPolarHBondContact O-CB 3.47Å; I599-P635 HydrophobicContact CD1-CB 4.43Å; I599-P635 HydrophobicContact CD1-CG 3.65Å; I599-P635 HydrophobicContact CG1-CB 4.24Å; I599-P635 HydrophobicContact CG1-CG 4.01Å; C626-P635 HydrophobicContact CB-CG 4.39Å; Y633-P635 HydrophobicContact CE1-CG 4.03Å; Y633-P635 HydrophobicContact CE2-CB 4.17Å; Y633-P635 HydrophobicContact CE2-CG 4.02Å; P635-I637 PolarHBondContact O-N 3.42Å
636G98.6Very high96.8Very high14 Ų1451.7 Ų51.714%0.14424%0.244CC..EExtended strand (participates in β ladder)trans-68128.5176.300000111.5T597 R598 I599 N707T597-G636 PolarHBondContact O-N 3.36Å; R598-G636 CarbonylContact C-O 3.44Å; R598-G636 WeakPolarHBondContact CA-O 3.4Å; I599-G636 PolarHBondContact N-O 2.66Å; G636-N707 PolarHBondContact O-ND2 3.44Å
637I98.9Very high96.6Very high2 Ų253.9 Ų53.91%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-104.8131.9-178.5-57.5166.8000110I599 L619 I622 R623 P635 D706I599-I637 HydrophobicContact CB-CG1 4.37Å; I599-I637 WeakPolarHBondContact O-CA 3.02Å; L619-I637 HydrophobicContact CD1-CB 4.17Å; L619-I637 HydrophobicContact CD1-CD1 3.94Å; L619-I637 HydrophobicContact CD1-CG2 3.75Å; I622-I637 HydrophobicContact CB-CD1 4.2Å; I622-I637 HydrophobicContact CG2-CD1 3.59Å; I622-I637 HydrophobicContact CG2-CG1 4.13Å; R623-I637 HydrophobicContact CG-CD1 3.62Å; P635-I637 PolarHBondContact O-N 3.42Å; I637-D706 PolarHBondContact N-OD2 2.8Å; I637-D706 PolarHBondContact O-N 2.73Å
638T98.9Very high96.5Very high0 Ų051.1 Ų51.10%024%0.24CC..EExtended strand (participates in β ladder)trans-115.2117165.5-49.70000108.9I599 Y601 I640 V702 W704 D705 N707 F709I599-T638 PolarHBondContact O-N 2.76Å; Y601-T638 PolarHBondContact N-O 3.06Å; T638-I640 HydrophobicContact CG2-CD1 4.1Å; T638-I640 HydrophobicContact CG2-CG1 3.96Å; T638-V702 HydrophobicContact CG2-CG1 4.32Å; T638-W704 CarbonylContact C-O 3.18Å; T638-W704 WeakPolarHBondContact CA-O 3.05Å; T638-D705 WeakPolarHBondContact CB-OD1 3.3Å; T638-D705 HydrophobicContact CG2-CB 4.14Å; T638-D705 WeakPolarHBondContact CG2-OD1 3.26Å; T638-D705 PolarHBondContact OG1-OD1 2.73Å; T638-N707 PolarHBondContact OG1-ND2 3.18Å; T638-F709 HydrophobicContact CG2-CD2 4Å; T638-F709 HydrophobicContact CG2-CE2 4.22Å; T638-F709 WeakPolarHBondContact OG1-CE2 3.36Å
639Y98.7Very high96.5Very high2 Ų249.5 Ų49.51%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-105.7115.8-176.4-168.3-69.1000110.2Y601 R603 A615 E618 I622 V641 L703 W704Y601-Y639 AromaticContact CD1-CD2 3.46Å; Y601-Y639 HydrophobicContact CD1-CD2 3.46Å; Y601-Y639 VanDerWaalsContact CD1-CD2 3.46Å; Y601-Y639 HydrophobicContact CD1-CE1 4.46Å; Y601-Y639 AromaticContact CD1-CE2 3.39Å; Y601-Y639 HydrophobicContact CD1-CE2 3.39Å; Y601-Y639 HydrophobicContact CD1-CG 4.04Å; Y601-Y639 AromaticContact CD1-CZ 3.93Å; Y601-Y639 AromaticContact CE1-CD2 3.91Å; Y601-Y639 HydrophobicContact CE1-CD2 3.91Å; Y601-Y639 AromaticContact CE1-CE2 3.31Å; Y601-Y639 HydrophobicContact CE1-CE2 3.31Å; Y601-Y639 AromaticContact CE1-CZ 3.67Å; Y601-Y639 HydrophobicContact CG-CD2 4.44Å; R603-Y639 HydrophobicContact CB-CE1 4.02Å; R603-Y639 HydrophobicContact CG-CE1 4.45Å; R603-Y639 WeakPolarHBondContact CG-OH 3.08Å; A615-Y639 HydrophobicContact CB-CE1 4.09Å; E618-Y639 HydrophobicContact CB-CE2 3.99Å; E618-Y639 PolarHBondContact OE2-OH 3.45Å; I622-Y639 HydrophobicContact CD1-CD2 4.47Å; Y639-V641 HydrophobicContact CD1-CG2 4.37Å; Y639-V641 HydrophobicContact CE1-CG2 3.75Å; Y639-L703 HydrophobicContact CD1-CB 4.04Å; Y639-L703 HydrophobicContact CD1-CD1 4.21Å; Y639-L703 HydrophobicContact CD1-CG 4.43Å; Y639-L703 HydrophobicContact CE1-CD1 4.07Å; Y639-L703 PolarHBondContact O-N 3.17Å; Y639-W704 PolarHBondContact N-O 3.28Å
640I98.6Very high96.5Very high0 Ų047.5 Ų47.50%022%0.215CC..EExtended strand (participates in β ladder)trans-125.8117.4-172.3-49.8159.3000109I600 Y601 Y602 R603 T638 Y700 Q701 V702 L714I600-I640 HydrophobicContact CG2-CD1 3.95Å; Y601-I640 PolarHBondContact O-N 2.94Å; Y602-I640 CarbonylContact C-O 3.47Å; Y602-I640 WeakPolarHBondContact CA-O 3.15Å; Y602-I640 HydrophobicContact CD1-CB 4.1Å; Y602-I640 HydrophobicContact CD1-CD1 4.11Å; Y602-I640 HydrophobicContact CD1-CG2 4.12Å; Y602-I640 HydrophobicContact CE1-CB 4.31Å; Y602-I640 HydrophobicContact CE1-CD1 3.62Å; Y602-I640 HydrophobicContact CE1-CG2 4.15Å; Y602-I640 HydrophobicContact CE2-CD1 4.26Å; R603-I640 PolarHBondContact N-O 2.83Å; T638-I640 HydrophobicContact CG2-CD1 4.1Å; T638-I640 HydrophobicContact CG2-CG1 3.96Å; I640-Y700 HydrophobicContact CG2-CD1 4.13Å; I640-Q701 WeakPolarHBondContact CA-O 3.05Å; I640-V702 HydrophobicContact CG1-CG2 4.37Å; I640-L714 HydrophobicContact CD1-CD1 3.76Å; I640-L714 HydrophobicContact CD1-CD2 4.37Å
641V98.1Very high96.6Very high1 Ų145.1 Ų45.11%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-82.1132.1170.7178.80000109.5R603 V606 M611 Y639 Q643 Y700 Q701 L703R603-V641 HydrophobicContact CB-CG2 4.49Å; R603-V641 CarbonylContact O-C 3.58Å; R603-V641 WeakPolarHBondContact O-CA 3.42Å; V606-V641 HydrophobicContact CB-CG1 4.2Å; M611-V641 HydrophobicContact CE-CB 4.33Å; M611-V641 HydrophobicContact CE-CG1 3.81Å; M611-V641 HydrophobicContact CG-CG1 4.45Å; M611-V641 HydrophobicContact CG-CG2 4.49Å; Y639-V641 HydrophobicContact CD1-CG2 4.37Å; Y639-V641 HydrophobicContact CE1-CG2 3.75Å; V641-Q643 HydrophobicContact CG1-CG 3.97Å; V641-Y700 WeakPolarHBondContact O-CA 3.38Å; V641-Q701 PolarHBondContact N-O 2.76Å; V641-Q701 PolarHBondContact O-N 2.96Å; V641-L703 HydrophobicContact CG2-CD1 3.46Å; V641-L703 VanDerWaalsContact CG2-CD1 3.46Å; V641-L703 HydrophobicContact CG2-CG 4.15Å
642V97.6Very high96.7Very high5 Ų538.1 Ų38.13%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-111.5115177.5-171.90000110.1Y602 R603 Y700 I734Y602-V642 HydrophobicContact CD1-CG2 3.62Å; Y602-V642 HydrophobicContact CG-CG2 4.34Å; R603-V642 PolarHBondContact O-N 3.1Å; V642-Y700 HydrophobicContact CB-CD1 4.47Å; V642-Y700 HydrophobicContact CB-CE1 4.33Å; V642-Y700 HydrophobicContact CG1-CD1 4.23Å; V642-Y700 HydrophobicContact CG1-CE1 3.72Å; V642-Y700 HydrophobicContact CG2-CD1 3.82Å; V642-Y700 HydrophobicContact CG2-CE1 3.78Å; V642-I734 HydrophobicContact CG1-CB 4.16Å; V642-I734 HydrophobicContact CG1-CG2 3.63Å
643Q94.2Very high96.7Very high22 Ų2236.2 Ų36.210%0.10317%0.174CC..EExtended strand (participates in β ladder)trans-115.2111.5177.8-60.7-174.8-53.700111.3V606 M611 V641 H646 H699V606-Q643 PolarHBondContact O-NE2 3.09Å; M611-Q643 HydrophobicContact CE-CG 3.94Å; M611-Q643 VanDerWaalsContact CE-NE2 3.27Å; V641-Q643 HydrophobicContact CG1-CG 3.97Å; Q643-H646 PolarHBondContact O-CD2 3.34Å; Q643-H699 HydrophobicContact CB-CB 4.25Å; Q643-H699 PolarHBondContact N-O 3.39Å; Q643-H699 PolarHBondContact O-N 2.88Å; Q643-H699 PolarHBondContact OE1-ND1 2.89Å
644K91.4Very high96.6Very high63 Ų6338.7 Ų38.727%0.27419%0.189SC..  trans-92.2-20.4170.7-174.3174.5178.51770113.1S733 I734K644-S733 WeakPolarHBondContact CE-OG 3.49Å; K644-S733 PolarHBondContact NZ-OG 3.48Å; K644-I734 HydrophobicContact CB-CG2 4.32Å; K644-I734 HydrophobicContact CD-CG2 4.42Å
645R88.9Confident96.4Very high206 Ų20639.3 Ų39.378%0.77720%0.196SC*.SBendtrans-103.179.9-174.3-67.4-176.6-179177.12.6110.5
646H92.1Very high96.3Very high23 Ų2344.2 Ų44.211%0.10623%0.225CC..SBendtrans-140.3179.7173.358.788000109.9Q643 T648 R649 Y684 R696 P697Q643-H646 PolarHBondContact O-CD2 3.34Å; H646-T648 WeakPolarHBondContact ND1-CB 3.45Å; H646-T648 PolarHBondContact ND1-N 3.15Å; H646-T648 PolarHBondContact ND1-OG1 2.72Å; H646-R649 PolarHBondContact O-NH1 3.41Å; H646-R649 PolarHBondContact O-NH2 3.29Å; H646-Y684 AromaticContact CE1-CE1 3.9Å; H646-Y684 AromaticContact ND1-CE1 3.98Å; H646-R696 PolarHBondContact O-NH1 3.13Å; H646-P697 PolarHBondContact CE1-O 2.84Å; H646-P697 PolarHBondContact NE2-O 3.18Å
647H94.4Very high96.2Very high48 Ų4848.8 Ų48.822%0.22224%0.243CC..SBendtrans-105.7-6.8-172.8-70.3-86.1000114.7H126 D141 R649H126-H647 HydrophobicContact CB-CB 4.33Å; H126-H647 VanDerWaalsContact CB-ND1 3.28Å; H126-H647 WeakPolarHBondContact CB-ND1 3.41Å; H126-H647 WeakPolarHBondContact CD2-CB 3.34Å; H126-H647 AromaticContact CD2-CD2 3.73Å; H126-H647 AromaticContact CD2-CG 3.3Å; H126-H647 AromaticContact CD2-ND1 3.84Å; H126-H647 AromaticContact CE1-CD2 3.39Å; H126-H647 PolarHBondContact CE1-CD2 2.82Å; H126-H647 AromaticContact CE1-CG 3.8Å; H126-H647 AromaticContact CE1-NE2 3.98Å; H126-H647 AromaticContact CG-CD2 3.44Å; H126-H647 VanDerWaalsContact CG-CD2 3.44Å; H126-H647 AromaticContact CG-CE1 3.6Å; H126-H647 AromaticContact CG-CG 3.18Å; H126-H647 AromaticContact CG-ND1 3.33Å; H126-H647 VanDerWaalsContact CG-ND1 3.33Å; H126-H647 AromaticContact CG-NE2 3.75Å; H126-H647 AromaticContact ND1-CD2 3.23Å; H126-H647 PolarHBondContact ND1-CD2 2.99Å; H126-H647 AromaticContact ND1-CE1 3.7Å; H126-H647 AromaticContact ND1-CG 3.54Å; H126-H647 AromaticContact ND1-ND1 3.84Å; H126-H647 AromaticContact ND1-NE2 3.4Å; H126-H647 PolarHBondContact ND1-NE2 3.4Å; H126-H647 AromaticContact NE2-CD2 3.69Å; H126-H647 AromaticContact NE2-CG 3.68Å; D141-H647 HydrophobicContact CB-CB 4.02Å; D141-H647 IonicContact OD2-ND1 3.56Å; D141-H647 PolarHBondContact OD2-ND1 3.48Å; H647-R649 PolarHBondContact O-N 3Å
648T96.3Very high96.1Very high14 Ų1452.3 Ų52.39%0.08626%0.256CS..  trans-58.2129.2169.2-37.10000111.5N139 H646 I675 Y684N139-T648 PolarHBondContact ND2-N 3.19Å; H646-T648 WeakPolarHBondContact ND1-CB 3.45Å; H646-T648 PolarHBondContact ND1-N 3.15Å; H646-T648 PolarHBondContact ND1-OG1 2.72Å; T648-I675 HydrophobicContact CG2-CD1 3.96Å; T648-Y684 HydrophobicContact CG2-CD1 4.36Å; T648-Y684 HydrophobicContact CG2-CE1 3.82Å; T648-Y684 HydrophobicContact CG2-CE2 4.36Å; T648-Y684 PolarHBondContact OG1-OH 3.47Å; T648-Y684 VanDerWaalsContact OG1-OH 3.04Å
649R97.8Very high96Very high23 Ų2353.4 Ų53.49%0.08726%0.263CS..  trans-126.9144.9173.2-61.4-63.8172.6-92-15.6108.8D141 H646 H647 F651 R696D141-R649 IonicContact OD2-CZ 3.7Å; D141-R649 IonicContact OD2-NE 2.78Å; D141-R649 IonicContact OD2-NH2 3.89Å; D141-R649 PolarHBondContact OD2-NH2 3.01Å; H646-R649 PolarHBondContact O-NH1 3.41Å; H646-R649 PolarHBondContact O-NH2 3.29Å; H647-R649 PolarHBondContact O-N 3Å; R649-F651 HydrophobicContact CB-CE1 4.38Å; R649-F651 HydrophobicContact CB-CE2 3.65Å; R649-F651 HydrophobicContact CB-CZ 3.57Å; R649-F651 HydrophobicContact CG-CZ 4.27Å; R649-R696 VanDerWaalsContact NH2-NH1 3.11Å
650L98.3Very high95.7Very high18 Ų1856.1 Ų56.19%0.09429%0.292CS..  trans-118.6136176.1-62.2174000108.1L333 V665 T669 V671 I675 P697L333-L650 HydrophobicContact CD2-CD2 4.44Å; L650-V665 HydrophobicContact CB-CG1 4.13Å; L650-T669 HydrophobicContact CD1-CG2 4.49Å; L650-V671 HydrophobicContact CD1-CG2 3.74Å; L650-V671 HydrophobicContact CD2-CG2 4.18Å; L650-I675 HydrophobicContact CD2-CD1 4.03Å; L650-P697 HydrophobicContact CD1-CB 3.95Å; L650-P697 HydrophobicContact CD1-CG 3.92Å; L650-P697 HydrophobicContact CG-CG 4.01Å
651F98.4Very high95.4Very high38 Ų3866.3 Ų66.317%0.16734%0.336CS..  trans-130.1145.9-178.5-53.9-78000108.8A295 R298 Q299 I302 M330 R649 A653 T694A295-F651 HydrophobicContact CB-CD1 4.09Å; A295-F651 HydrophobicContact CB-CE1 4.35Å; A295-F651 WeakPolarHBondContact O-CD1 3.34Å; A295-F651 WeakPolarHBondContact O-CE1 3.33Å; R298-F651 HydrophobicContact CB-CE1 4.4Å; Q299-F651 HydrophobicContact CB-CD1 3.7Å; Q299-F651 HydrophobicContact CB-CD2 4.16Å; Q299-F651 HydrophobicContact CB-CE1 3.81Å; Q299-F651 HydrophobicContact CB-CE2 4.26Å; Q299-F651 HydrophobicContact CB-CG 3.88Å; Q299-F651 HydrophobicContact CB-CZ 4.09Å; Q299-F651 HydrophobicContact CG-CB 4.19Å; Q299-F651 HydrophobicContact CG-CD1 4.21Å; Q299-F651 HydrophobicContact CG-CD2 3.9Å; Q299-F651 HydrophobicContact CG-CE2 4.3Å; Q299-F651 HydrophobicContact CG-CG 3.85Å; I302-F651 HydrophobicContact CD1-CE2 4.33Å; I302-F651 HydrophobicContact CD1-CZ 4.04Å; M330-F651 HydrophobicContact CE-CD2 4.44Å; M330-F651 HydrophobicContact CE-CE2 4.03Å; M330-F651 HydrophobicContact SD-CD2 3.92Å; M330-F651 HydrophobicContact SD-CE2 4.07Å; R649-F651 HydrophobicContact CB-CE1 4.38Å; R649-F651 HydrophobicContact CB-CE2 3.65Å; R649-F651 HydrophobicContact CB-CZ 3.57Å; R649-F651 HydrophobicContact CG-CZ 4.27Å; F651-A653 PolarHBondContact O-N 2.93Å; F651-T694 HydrophobicContact CD1-CG2 4.43Å; F651-T694 HydrophobicContact CE1-CG2 3.68Å; F651-T694 HydrophobicContact CZ-CG2 4.33Å
652C98.2Very high95.3Very high8 Ų866.6 Ų66.65%0.05434%0.338CS..  trans-71.6125.3173.4-51.30000109.3D654 E657 R658C652-D654 WeakPolarHBondContact CB-O 3.35Å; C652-E657 HydrophobicContact CB-CB 4.12Å; C652-R658 HydrophobicContact CB-CG 3.95Å
653A96.4Very high95.3Very high93 Ų9366.7 Ų66.777%0.76934%0.34SS*.SBendtrans-64.7-49.3171.100000109.9F651F651-A653 PolarHBondContact O-N 2.93Å
654D95.7Very high95.5Very high79 Ų7965.8 Ų65.842%0.42234%0.336SS..SBendtrans-77132.8170-167.5-10000111C652 T656 E657C652-D654 WeakPolarHBondContact CB-O 3.35Å; D654-T656 VanDerWaalsContact C-N 3.26Å; D654-T656 PolarHBondContact O-N 3.29Å; D654-T656 WeakPolarHBondContact OD1-CG2 3.15Å; D654-T656 PolarHBondContact OD1-N 3.04Å; D654-T656 PolarHBondContact OD1-OG1 3.42Å; D654-T656 PolarHBondContact OD2-OG1 3.41Å; D654-E657 HydrophobicContact CB-CG 4.39Å
655K94.9Very high95.8Very high154 Ų15463.2 Ų63.267%0.6733%0.326SS*.SBendtrans-67-27.4174.8-60.7-177.5-177.7172.70112E657 R658K655-E657 VanDerWaalsContact C-N 3.31Å; K655-E657 PolarHBondContact O-N 3.42Å; K655-R658 WeakPolarHBondContact O-CB 3.31Å; K655-R658 WeakPolarHBondContact O-CG 3.35Å; K655-R658 PolarHBondContact O-N 3.01Å
656T96.4Very high96.2Very high115 Ų11554.6 Ų54.671%0.70630%0.296SS*.THydrogen-bonded Turntrans-69.9-27.6-177.970.40000112.8D654 R658D654-T656 VanDerWaalsContact C-N 3.26Å; D654-T656 PolarHBondContact O-N 3.29Å; D654-T656 WeakPolarHBondContact OD1-CG2 3.15Å; D654-T656 PolarHBondContact OD1-N 3.04Å; D654-T656 PolarHBondContact OD1-OG1 3.42Å; D654-T656 PolarHBondContact OD2-OG1 3.41Å; T656-R658 VanDerWaalsContact C-N 3.25Å; T656-R658 PolarHBondContact O-N 3.39Å
657E96.5Very high96.5Very high111 Ų11153.9 Ų53.952%0.51929%0.294SS..THydrogen-bonded Turntrans-79.9-5.3179-67.7-170-167.100113.8C652 D654 K655 V659C652-E657 HydrophobicContact CB-CB 4.12Å; D654-E657 HydrophobicContact CB-CG 4.39Å; K655-E657 VanDerWaalsContact C-N 3.31Å; K655-E657 PolarHBondContact O-N 3.42Å; E657-V659 PolarHBondContact O-N 2.95Å
658R96.9Very high96.7Very high75 Ų7551.6 Ų51.628%0.28328%0.283SS..  trans-68.8122.6-177.5-67.6176.3-179.7-175.2-4.5110.4C652 K655 T656C652-R658 HydrophobicContact CB-CG 3.95Å; K655-R658 WeakPolarHBondContact O-CB 3.31Å; K655-R658 WeakPolarHBondContact O-CG 3.35Å; K655-R658 PolarHBondContact O-N 3.01Å; T656-R658 VanDerWaalsContact C-N 3.25Å; T656-R658 PolarHBondContact O-N 3.39Å
659V96.1Very high96.8Very high23 Ų2351.5 Ų51.514%0.13928%0.283CS..BIsolated β-bridgetrans-96.2123.5-176.3-178.60000112.1Q357 E657 G663 N664 P666Q357-V659 HydrophobicContact CB-CG1 4.42Å; Q357-V659 HydrophobicContact CG-CG1 4.36Å; E657-V659 PolarHBondContact O-N 2.95Å; V659-G663 PolarHBondContact O-N 3.21Å; V659-N664 PolarHBondContact N-O 2.84Å; V659-N664 PolarHBondContact O-N 2.72Å; V659-P666 HydrophobicContact CG2-CB 3.93Å
660G92.9Very high96.9Very high59 Ų5950.4 Ų50.461%0.60828%0.279SS*.THydrogen-bonded Turntrans68.9-175.4172.400000114.4S662 G663G660-S662 PolarHBondContact O-N 3.35Å; G660-G663 PolarHBondContact O-N 3.49Å
661K92.4Very high96.9Very high215 Ų21549.6 Ų49.694%0.93528%0.275SS*.THydrogen-bonded Turntrans-60.8-28.5-177.1-177175.4179.6177.60113.6G663K661-G663 VanDerWaalsContact C-N 3.32Å
662S94.7Very high96.8Very high7 Ų749.8 Ų49.85%0.04928%0.277CS..THydrogen-bonded Turntrans-80.1-15-18065.60000113.1S294 A295 P296 G660 N664 G690S294-S662 WeakPolarHBondContact CB-O 3.26Å; A295-S662 PolarHBondContact N-O 2.89Å; P296-S662 WeakPolarHBondContact CD-O 3.32Å; G660-S662 PolarHBondContact O-N 3.35Å; S662-N664 WeakPolarHBondContact CB-ND2 3.48Å; S662-N664 PolarHBondContact O-N 3.46Å; S662-N664 PolarHBondContact OG-ND2 2.75Å; S662-G690 WeakPolarHBondContact CB-O 3.32Å; S662-G690 PolarHBondContact OG-O 2.87Å
663G97.5Very high96.6Very high7 Ų751.4 Ų51.47%0.07229%0.289CS..THydrogen-bonded Turntrans64.433.7176.300000115.2A295 V659 G660 K661A295-G663 WeakPolarHBondContact CB-O 3.19Å; V659-G663 PolarHBondContact O-N 3.21Å; G660-G663 PolarHBondContact O-N 3.49Å; K661-G663 VanDerWaalsContact C-N 3.32Å
664N98.3Very high96.5Very high2 Ų248.8 Ų48.81%0.01126%0.263CS..BIsolated β-bridgetrans-82.4166.4-177.9-78.6-78.8000113.1A295 V659 S662 G693 T694 S695A295-N664 WeakPolarHBondContact CB-OD1 3.47Å; V659-N664 PolarHBondContact N-O 2.84Å; V659-N664 PolarHBondContact O-N 2.72Å; S662-N664 WeakPolarHBondContact CB-ND2 3.48Å; S662-N664 PolarHBondContact O-N 3.46Å; S662-N664 PolarHBondContact OG-ND2 2.75Å; N664-G693 PolarHBondContact ND2-O 2.66Å; N664-T694 WeakPolarHBondContact OD1-CA 3.17Å; N664-S695 WeakPolarHBondContact OD1-CB 3.47Å; N664-S695 PolarHBondContact OD1-N 3.16Å; N664-S695 PolarHBondContact OD1-OG 3.42Å
665V98.2Very high96.4Very high10 Ų1046.4 Ų46.46%0.06125%0.25CS..PPolyproline II helixtrans-57.4147.6165-59.70000111.5L650 T669 C686L650-V665 HydrophobicContact CB-CG1 4.13Å; V665-T669 HydrophobicContact CB-CG2 4.24Å; V665-T669 HydrophobicContact CG2-CG2 4.36Å; V665-C686 HydrophobicContact CG2-CB 3.95Å
666P98.1Very high96.4Very high24 Ų2439.1 Ų39.116%0.15622%0.219CC..PPolyproline II helixtrans-64.3153.2179.224.9-33.1000112.5V337 V659 G668 T669V337-P666 HydrophobicContact CG1-CG 4.39Å; V337-P666 HydrophobicContact CG2-CG 3.72Å; V659-P666 HydrophobicContact CG2-CB 3.93Å; P666-G668 PolarHBondContact O-N 2.81Å; P666-T669 WeakPolarHBondContact CD-OG1 3.29Å; P666-T669 WeakPolarHBondContact CG-OG1 3.49Å; P666-T669 WeakPolarHBondContact O-CB 3.42Å; P666-T669 PolarHBondContact O-N 3.25Å; P666-T669 PolarHBondContact O-OG1 3.29Å
667A98.3Very high96.2Very high8 Ų835 Ų357%0.06619%0.192CC..THydrogen-bonded Turntrans-62.6132172.900000110.2C686 Y719A667-C686 CarbonylContact C-O 3.57Å; A667-C686 WeakPolarHBondContact CA-O 3.48Å; A667-Y719 VanDerWaalsContact C-OH 3.29Å; A667-Y719 PolarHBondContact O-OH 3.15Å
668G98.3Very high95.9Very high0 Ų030.8 Ų30.80%017%0.174CC..THydrogen-bonded Turntrans97.3-1.8-174.500000114L338 P666 T670 C686 Y719L338-G668 PolarHBondContact N-O 3.39Å; P666-G668 PolarHBondContact O-N 2.81Å; G668-T670 PolarHBondContact O-N 2.87Å; G668-T670 PolarHBondContact O-OG1 3.14Å; G668-C686 PolarHBondContact N-O 3.16Å; G668-Y719 VanDerWaalsContact CA-CZ 3.4Å; G668-Y719 WeakPolarHBondContact CA-OH 3.43Å; G668-Y719 PolarHBondContact N-OH 3.19Å
669T98.8Very high95.5Very high13 Ų1330.2 Ų30.28%0.0818%0.181CC..EExtended strand (participates in β ladder)trans-59.8119.9172.5-57.30000110.1R336 L650 V665 P666 C686R336-T669 CarbonylContact O-C 3.57Å; R336-T669 WeakPolarHBondContact O-CA 3.26Å; L650-T669 HydrophobicContact CD1-CG2 4.49Å; V665-T669 HydrophobicContact CB-CG2 4.24Å; V665-T669 HydrophobicContact CG2-CG2 4.36Å; P666-T669 WeakPolarHBondContact CD-OG1 3.29Å; P666-T669 WeakPolarHBondContact CG-OG1 3.49Å; P666-T669 WeakPolarHBondContact O-CB 3.42Å; P666-T669 PolarHBondContact O-N 3.25Å; P666-T669 PolarHBondContact O-OG1 3.29Å; T669-C686 PolarHBondContact O-N 2.99Å
670T98.8Very high95.3Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-123.6136-176.4-59.30000109.8G335 R336 L338 G668 F683 Y684 L685 Q715G335-T670 WeakPolarHBondContact CA-O 3.42Å; R336-T670 PolarHBondContact N-O 3.42Å; R336-T670 PolarHBondContact O-N 3.38Å; L338-T670 VanDerWaalsContact CD1-OG1 3.23Å; L338-T670 WeakPolarHBondContact CD1-OG1 3.13Å; L338-T670 WeakPolarHBondContact CG-OG1 3.36Å; G668-T670 PolarHBondContact O-N 2.87Å; G668-T670 PolarHBondContact O-OG1 3.14Å; T670-F683 HydrophobicContact CG2-CD2 4.47Å; T670-Y684 CarbonylContact C-O 3.49Å; T670-Y684 VanDerWaalsContact CA-O 3.22Å; T670-Y684 WeakPolarHBondContact CA-O 3.49Å; T670-L685 VanDerWaalsContact OG1-CD1 3.31Å; T670-L685 WeakPolarHBondContact OG1-CD1 3.44Å; T670-Q715 HydrophobicContact CG2-CG 4.18Å
671V98.5Very high95.4Very high1 Ų132 Ų321%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-134116.3177.9179.20000108.3L333 L650 S673 I675 F683 Y684L333-V671 HydrophobicContact CD1-CB 4.41Å; L333-V671 HydrophobicContact CD1-CG1 3.83Å; L333-V671 HydrophobicContact CD1-CG2 3.64Å; L333-V671 HydrophobicContact CD2-CG1 4.08Å; L650-V671 HydrophobicContact CD1-CG2 3.74Å; L650-V671 HydrophobicContact CD2-CG2 4.18Å; V671-S673 WeakPolarHBondContact CG1-O 3.38Å; V671-I675 HydrophobicContact CG1-CD1 4.04Å; V671-I675 HydrophobicContact CG1-CG1 3.84Å; V671-F683 WeakPolarHBondContact O-CA 3.41Å; V671-Y684 PolarHBondContact N-O 3.45Å; V671-Y684 PolarHBondContact O-N 2.85Å
672D97.1Very high95.6Very high41 Ų4122.2 Ų22.222%0.21913%0.129CC..  trans-12715.6-179.658-16.7000112.4R336 T676 F683 Q715R336-D672 IonicContact CZ-OD2 3.94Å; R336-D672 IonicContact NH2-OD1 3.01Å; R336-D672 PolarHBondContact NH2-OD1 3.08Å; R336-D672 IonicContact NH2-OD2 3.39Å; R336-D672 PolarHBondContact NH2-OD2 3.3Å; D672-T676 PolarHBondContact O-OG1 3.19Å; D672-T676 VanDerWaalsContact O-OG1 3.12Å; D672-F683 HydrophobicContact CB-CB 3.81Å; D672-Q715 PolarHBondContact OD2-NE2 3.35Å
673S93.8Very high95.8Very high42 Ų4221.9 Ų21.929%0.29413%0.127SC..SBendtrans-138.2168.9178.266.60000111.8V671 I675 T676V671-S673 WeakPolarHBondContact CG1-O 3.38Å; S673-I675 PolarHBondContact O-N 3.44Å; S673-T676 WeakPolarHBondContact CA-OG1 3.47Å; S673-T676 PolarHBondContact N-OG1 3.05Å
674T93.7Very high95.8Very high38 Ų3821.7 Ų21.723%0.23312%0.124CC..SBendtrans68.7-55.5172.9-48.20000115A132 M137 T331 L333A132-T674 WeakPolarHBondContact CB-O 3.46Å; M137-T674 WeakPolarHBondContact CE-O 3.37Å; T331-T674 HydrophobicContact CG2-CG2 3.66Å; L333-T674 HydrophobicContact CB-CG2 4.27Å
675I95.1Very high95.9Very high29 Ų2921.6 Ų21.615%0.14912%0.123CC..SBendtrans-109.5-0.7-175.263.8165.8000113.4T331 L333 T648 L650 V671 S673 Y684T331-I675 HydrophobicContact CG2-CG2 4.36Å; L333-I675 HydrophobicContact CD2-CB 4.42Å; L333-I675 HydrophobicContact CD2-CD1 3.7Å; L333-I675 HydrophobicContact CD2-CG1 3.84Å; L333-I675 HydrophobicContact CD2-CG2 3.73Å; T648-I675 HydrophobicContact CG2-CD1 3.96Å; L650-I675 HydrophobicContact CD2-CD1 4.03Å; V671-I675 HydrophobicContact CG1-CD1 4.04Å; V671-I675 HydrophobicContact CG1-CG1 3.84Å; S673-I675 PolarHBondContact O-N 3.44Å; I675-Y684 HydrophobicContact CD1-CD2 4.29Å; I675-Y684 HydrophobicContact CD1-CE2 4.24Å; I675-Y684 HydrophobicContact CG1-CE2 4.37Å
676T94.9Very high95.9Very high1 Ų121.1 Ų21.11%0.00612%0.12CC..SBendtrans-85.8167.7173.942.80000111.4A132 M133 D672 S673 D682 Y684A132-T676 WeakPolarHBondContact CA-O 3.44Å; M133-T676 PolarHBondContact N-O 3.25Å; M133-T676 VanDerWaalsContact N-O 3.14Å; D672-T676 PolarHBondContact O-OG1 3.19Å; D672-T676 VanDerWaalsContact O-OG1 3.12Å; S673-T676 WeakPolarHBondContact CA-OG1 3.47Å; S673-T676 PolarHBondContact N-OG1 3.05Å; T676-D682 WeakPolarHBondContact CA-OD2 3.07Å; T676-D682 WeakPolarHBondContact CB-OD1 3.08Å; T676-D682 WeakPolarHBondContact CB-OD2 3.4Å; T676-Y684 HydrophobicContact CG2-CD2 4.07Å; T676-Y684 HydrophobicContact CG2-CE2 4.18Å
677H92.3Very high95.9Very high30 Ų3020 Ų2014%0.13911%0.113CC..  trans-57.9143.2-177.6-168.6-77.3000111.2M133 S679 E680 D682M133-H677 WeakPolarHBondContact CE-O 3.47Å; M133-H677 WeakPolarHBondContact CG-O 3.19Å; H677-S679 PolarHBondContact CE1-OG 2.92Å; H677-S679 PolarHBondContact ND1-N 3.28Å; H677-S679 VanDerWaalsContact ND1-N 3.16Å; H677-S679 PolarHBondContact O-N 2.86Å; H677-E680 HydrophobicContact CB-CB 4.18Å; H677-E680 WeakPolarHBondContact ND1-CB 3.44Å; H677-E680 PolarHBondContact ND1-N 3.41Å; H677-D682 WeakPolarHBondContact CB-OD1 3.42Å; H677-D682 VanDerWaalsContact N-CG 3.35Å; H677-D682 PolarHBondContact N-OD1 3.13Å; H677-D682 PolarHBondContact N-OD2 3.39Å; H677-D682 VanDerWaalsContact N-OD2 3.11Å
678P89.8Confident95.9Very high22 Ų2221 Ų2114%0.14312%0.117CC..SBendtrans-63.5-38-176.522.7-35.3000114.8L70 V77 P131L70-P678 HydrophobicContact CD2-CG 4.34Å; V77-P678 HydrophobicContact CG2-CG 3.65Å; P131-P678 HydrophobicContact CB-CG 4.45Å
679S87.7Confident95.8Very high62 Ų6221.9 Ų21.943%0.43412%0.124SC..SBendtrans-122.6-37.8-175.657.90000115.8N75 H677N75-S679 PolarHBondContact O-OG 3.15Å; H677-S679 PolarHBondContact CE1-OG 2.92Å; H677-S679 PolarHBondContact ND1-N 3.28Å; H677-S679 VanDerWaalsContact ND1-N 3.16Å; H677-S679 PolarHBondContact O-N 2.86Å
680E91.7Very high95.6Very high55 Ų5521.9 Ų21.926%0.25713%0.126SC..SBendtrans-67.3160.2176.1-60.9-177.2179.600113.8K612 H677 D682 Q701K612-E680 IonicContact NZ-OE1 3.3Å; H677-E680 HydrophobicContact CB-CB 4.18Å; H677-E680 WeakPolarHBondContact ND1-CB 3.44Å; H677-E680 PolarHBondContact ND1-N 3.41Å; E680-D682 PolarHBondContact O-N 3.43Å; E680-Q701 PolarHBondContact OE2-NE2 2.98Å
681F95.6Very high95.3Very high65 Ų6528 Ų2829%0.28516%0.157SC..EExtended strand (participates in β ladder)trans-92.793.5-178.3-176.345000111.2V702 A711 L714F681-V702 HydrophobicContact CB-CB 4.23Å; F681-V702 HydrophobicContact CD2-CB 3.49Å; F681-V702 VanDerWaalsContact CD2-CB 3.49Å; F681-V702 HydrophobicContact CD2-CG1 3.94Å; F681-V702 HydrophobicContact CD2-CG2 3.31Å; F681-V702 HydrophobicContact CE2-CB 4.24Å; F681-V702 HydrophobicContact CE2-CG2 3.62Å; F681-V702 HydrophobicContact CG-CB 4.22Å; F681-V702 HydrophobicContact CG-CG2 4.14Å; F681-V702 PolarHBondContact O-N 3.06Å; F681-A711 HydrophobicContact CE1-CB 3.92Å; F681-A711 HydrophobicContact CZ-CB 4.33Å; F681-L714 HydrophobicContact CD2-CD2 4.45Å; F681-L714 HydrophobicContact CE2-CD2 3.52Å; F681-L714 HydrophobicContact CZ-CB 4.43Å; F681-L714 HydrophobicContact CZ-CD2 4.04Å
682D96.6Very high94.8Very high9 Ų934.4 Ų34.45%0.04819%0.187CC..EExtended strand (participates in β ladder)trans-129.6156.217673.3-48.7000113.2T676 H677 E680 H699 Y700 Q701T676-D682 WeakPolarHBondContact CA-OD2 3.07Å; T676-D682 WeakPolarHBondContact CB-OD1 3.08Å; T676-D682 WeakPolarHBondContact CB-OD2 3.4Å; H677-D682 WeakPolarHBondContact CB-OD1 3.42Å; H677-D682 VanDerWaalsContact N-CG 3.35Å; H677-D682 PolarHBondContact N-OD1 3.13Å; H677-D682 PolarHBondContact N-OD2 3.39Å; H677-D682 VanDerWaalsContact N-OD2 3.11Å; E680-D682 PolarHBondContact O-N 3.43Å; D682-H699 IonicContact OD2-CE1 3.75Å; D682-H699 IonicContact OD2-NE2 3.48Å; D682-H699 PolarHBondContact OD2-NE2 3.25Å; D682-Y700 CarbonylContact C-O 3.29Å; D682-Y700 WeakPolarHBondContact CA-O 3.27Å; D682-Y700 WeakPolarHBondContact CB-O 3.47Å; D682-Q701 HydrophobicContact CB-CB 4.3Å; D682-Q701 HydrophobicContact CB-CG 4.22Å
683F98.6Very high94.7Very high0 Ų033.2 Ų33.20%018%0.184CC..EExtended strand (participates in β ladder)trans-155.7153.7173.961.4-87.7000112T670 V671 D672 L685 Y700 L714 Q715 T718T670-F683 HydrophobicContact CG2-CD2 4.47Å; V671-F683 WeakPolarHBondContact O-CA 3.41Å; D672-F683 HydrophobicContact CB-CB 3.81Å; F683-L685 HydrophobicContact CD2-CB 4.24Å; F683-L685 HydrophobicContact CE2-CB 4.24Å; F683-Y700 AromaticContact CD2-CD2 3.91Å; F683-Y700 HydrophobicContact CD2-CD2 3.91Å; F683-Y700 HydrophobicContact CD2-CG 4.32Å; F683-Y700 HydrophobicContact CE1-CG 4.49Å; F683-Y700 AromaticContact CE2-CD2 3.49Å; F683-Y700 HydrophobicContact CE2-CD2 3.49Å; F683-Y700 VanDerWaalsContact CE2-CD2 3.49Å; F683-Y700 HydrophobicContact CE2-CE2 4.27Å; F683-Y700 AromaticContact CE2-CG 3.67Å; F683-Y700 HydrophobicContact CE2-CG 3.67Å; F683-Y700 HydrophobicContact CZ-CD1 4.45Å; F683-Y700 HydrophobicContact CZ-CD2 4.1Å; F683-Y700 AromaticContact CZ-CG 3.77Å; F683-Y700 HydrophobicContact CZ-CG 3.77Å; F683-Y700 PolarHBondContact N-O 3.38Å; F683-Y700 PolarHBondContact O-N 2.76Å; F683-L714 HydrophobicContact CE1-CD2 4.22Å; F683-L714 HydrophobicContact CE1-CG 4.36Å; F683-Q715 HydrophobicContact CD1-CG 3.99Å; F683-Q715 HydrophobicContact CD2-CG 3.77Å; F683-Q715 HydrophobicContact CE1-CG 4.03Å; F683-Q715 HydrophobicContact CE2-CB 4.41Å; F683-Q715 HydrophobicContact CE2-CG 3.82Å; F683-Q715 HydrophobicContact CG-CG 3.86Å; F683-Q715 HydrophobicContact CZ-CG 3.95Å; F683-T718 HydrophobicContact CE2-CG2 4.41Å; F683-T718 HydrophobicContact CZ-CG2 4.46Å
684Y98.7Very high94.8Very high4 Ų432 Ų322%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-97.7136.6168-65.6-89.2000109.9H646 T648 T670 V671 I675 T676 P697 S698 H699H646-Y684 AromaticContact CE1-CE1 3.9Å; H646-Y684 AromaticContact ND1-CE1 3.98Å; T648-Y684 HydrophobicContact CG2-CD1 4.36Å; T648-Y684 HydrophobicContact CG2-CE1 3.82Å; T648-Y684 HydrophobicContact CG2-CE2 4.36Å; T648-Y684 PolarHBondContact OG1-OH 3.47Å; T648-Y684 VanDerWaalsContact OG1-OH 3.04Å; T670-Y684 CarbonylContact C-O 3.49Å; T670-Y684 VanDerWaalsContact CA-O 3.22Å; T670-Y684 WeakPolarHBondContact CA-O 3.49Å; V671-Y684 PolarHBondContact N-O 3.45Å; V671-Y684 PolarHBondContact O-N 2.85Å; I675-Y684 HydrophobicContact CD1-CD2 4.29Å; I675-Y684 HydrophobicContact CD1-CE2 4.24Å; I675-Y684 HydrophobicContact CG1-CE2 4.37Å; T676-Y684 HydrophobicContact CG2-CD2 4.07Å; T676-Y684 HydrophobicContact CG2-CE2 4.18Å; Y684-P697 HydrophobicContact CD1-CG 4.4Å; Y684-S698 CarbonylContact C-O 3.51Å; Y684-S698 WeakPolarHBondContact CA-O 3.32Å; Y684-H699 HydrophobicContact CD1-CB 3.83Å; Y684-H699 AromaticContact CD1-CD2 3.96Å; Y684-H699 HydrophobicContact CE1-CB 3.63Å; Y684-H699 AromaticContact CE1-CD2 3.62Å; Y684-H699 AromaticContact CE1-CG 3.8Å; Y684-H699 AromaticContact CE2-CD2 3.76Å; Y684-H699 AromaticContact CZ-CD2 3.5Å; Y684-H699 VanDerWaalsContact CZ-CD2 3.5Å
685L98.8Very high95Very high0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-133.9114.2171.9164.167.5000110.2L338 T670 F683 S687 S698 Y700 T718 Y719L338-L685 HydrophobicContact CD1-CD1 4.27Å; T670-L685 VanDerWaalsContact OG1-CD1 3.31Å; T670-L685 WeakPolarHBondContact OG1-CD1 3.44Å; F683-L685 HydrophobicContact CD2-CB 4.24Å; F683-L685 HydrophobicContact CE2-CB 4.24Å; L685-S687 VanDerWaalsContact C-N 3.32Å; L685-S687 PolarHBondContact O-N 3.04Å; L685-S687 VanDerWaalsContact O-N 3.15Å; L685-S698 PolarHBondContact N-O 3.31Å; L685-S698 PolarHBondContact O-N 3.46Å; L685-Y700 HydrophobicContact CB-CD2 4.22Å; L685-Y700 HydrophobicContact CB-CE2 3.77Å; L685-Y700 HydrophobicContact CD2-CE2 4.33Å; L685-Y700 HydrophobicContact CG-CE2 4.45Å; L685-T718 HydrophobicContact CD2-CG2 3.86Å; L685-Y719 HydrophobicContact CD1-CD2 4.05Å; L685-Y719 HydrophobicContact CD1-CG 4.33Å; L685-Y719 HydrophobicContact CD2-CD2 4.27Å; L685-Y719 HydrophobicContact CD2-CG 4.44Å
686C98.7Very high95.1Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-83.874.8168.4-165.30000110.2V665 A667 G668 T669 H688 P697V665-C686 HydrophobicContact CG2-CB 3.95Å; A667-C686 CarbonylContact C-O 3.57Å; A667-C686 WeakPolarHBondContact CA-O 3.48Å; G668-C686 PolarHBondContact N-O 3.16Å; T669-C686 PolarHBondContact O-N 2.99Å; C686-H688 PolarHBondContact O-N 3.21Å; C686-H688 VanDerWaalsContact O-N 3.11Å; C686-P697 HydrophobicContact CB-CB 3.93Å
687S98.6Very high95.3Very high0 Ų033.4 Ų33.40%018%0.176CC..  trans-70-6.3-174.458.40000115.5L685 Y719 C722 S731 V732 S733L685-S687 VanDerWaalsContact C-N 3.32Å; L685-S687 PolarHBondContact O-N 3.04Å; L685-S687 VanDerWaalsContact O-N 3.15Å; S687-Y719 WeakPolarHBondContact O-CE2 3.37Å; S687-C722 VanDerWaalsContact CB-SG 3.58Å; S687-S731 WeakPolarHBondContact O-CB 3.4Å; S687-S731 PolarHBondContact O-OG 3.22Å; S687-V732 PolarHBondContact OG-O 2.99Å; S687-S733 VanDerWaalsContact OG-C 3.22Å; S687-S733 VanDerWaalsContact OG-CA 3.28Å; S687-S733 WeakPolarHBondContact OG-CA 3.36Å; S687-S733 PolarHBondContact OG-O 3.18Å
688H98.3Very high95.5Very high30 Ų3032 Ų3214%0.13917%0.169CC..SBendtrans-126.9152.4-167.663-67.6000112.2C686 R696 S731 S733C686-H688 PolarHBondContact O-N 3.21Å; C686-H688 VanDerWaalsContact O-N 3.11Å; H688-R696 PolarHBondContact CE1-O 2.72Å; H688-S731 WeakPolarHBondContact CB-O 3.35Å; H688-S733 WeakPolarHBondContact ND1-CB 3.48Å
689A96.9Very high95.9Very high18 Ų1831 Ų3115%0.14916%0.163CC..  trans-72.4127.7172.500000111Q357 V359 I691Q357-A689 VanDerWaalsContact O-CB 3.3Å; Q357-A689 WeakPolarHBondContact O-CB 3Å; V359-A689 HydrophobicContact CG2-CB 4.47Å; A689-I691 PolarHBondContact O-N 3.44Å; A689-I691 VanDerWaalsContact O-N 3.08Å
690G93.9Very high96.5Very high13 Ų1328.1 Ų28.113%0.13414%0.142CC..  trans-74.193.217600000111.8S662 S695S662-G690 WeakPolarHBondContact CB-O 3.32Å; S662-G690 PolarHBondContact OG-O 2.87Å; G690-S695 WeakPolarHBondContact CA-OG 3.44Å
691I91.3Very high96.7Very high128 Ų12826.3 Ų26.366%0.65613%0.134SC*.  trans-72.6-40.7-179.2-60.6160.9000111.6A689A689-I691 PolarHBondContact O-N 3.44Å; A689-I691 VanDerWaalsContact O-N 3.08Å
692Q89.9Confident96.8Very high136 Ų13624 Ų2464%0.63613%0.125SC*.SBendtrans-145.3144.1-174.7-178.9-178.5-8.900109.4
693G93.9Very high96.8Very high15 Ų1525.3 Ų25.316%0.15513%0.132CC..SBendtrans71.9-162.1178.300000112.2R293 N664R293-G693 CarbonylContact O-C 3.53Å; R293-G693 WeakPolarHBondContact O-CA 3.45Å; N664-G693 PolarHBondContact ND2-O 2.66Å
694T97Very high96.8Very high16 Ų1629.1 Ų29.110%0.09815%0.146CC..  trans-92.1128.6168.2-38.20000110.4R293 S294 A295 R298 F651 N664R293-T694 PolarHBondContact O-N 3.06Å; R293-T694 PolarHBondContact O-OG1 3.47Å; S294-T694 PolarHBondContact O-OG1 3.03Å; A295-T694 HydrophobicContact CB-CG2 3.98Å; R298-T694 WeakPolarHBondContact CB-OG1 3.47Å; R298-T694 WeakPolarHBondContact CD-OG1 3.17Å; F651-T694 HydrophobicContact CD1-CG2 4.43Å; F651-T694 HydrophobicContact CE1-CG2 3.68Å; F651-T694 HydrophobicContact CZ-CG2 4.33Å; N664-T694 WeakPolarHBondContact OD1-CA 3.17Å
695S97.1Very high96.7Very high9 Ų930.9 Ų30.96%0.06316%0.156CC..  trans-59148.9174.7-70.70000111.3N664 G690N664-S695 WeakPolarHBondContact OD1-CB 3.47Å; N664-S695 PolarHBondContact OD1-N 3.16Å; N664-S695 PolarHBondContact OD1-OG 3.42Å; G690-S695 WeakPolarHBondContact CA-OG 3.44Å
696R97.2Very high96.7Very high88 Ų8834 Ų3433%0.33217%0.172SC..  trans-108.5104.4171.6-66.7-175.2179-114.70.1108.2H646 R649 H688 S698H646-R696 PolarHBondContact O-NH1 3.13Å; R649-R696 VanDerWaalsContact NH2-NH1 3.11Å; H688-R696 PolarHBondContact CE1-O 2.72Å; R696-S698 PolarHBondContact O-N 2.99Å
697P98.1Very high96.7Very high2 Ų235.6 Ų35.61%0.01318%0.181CC..PPolyproline II helixtrans-68.4120.117828.7-33000108.5H646 L650 Y684 C686 H699H646-P697 PolarHBondContact CE1-O 2.84Å; H646-P697 PolarHBondContact NE2-O 3.18Å; L650-P697 HydrophobicContact CD1-CB 3.95Å; L650-P697 HydrophobicContact CD1-CG 3.92Å; L650-P697 HydrophobicContact CG-CG 4.01Å; Y684-P697 HydrophobicContact CD1-CG 4.4Å; C686-P697 HydrophobicContact CB-CB 3.93Å; P697-H699 PolarHBondContact O-N 2.78Å
698S98.3Very high96.6Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-67.1138.1-177.3-66.90000110.2Y684 L685 R696 Y700 S733 I734Y684-S698 CarbonylContact C-O 3.51Å; Y684-S698 WeakPolarHBondContact CA-O 3.32Å; L685-S698 PolarHBondContact N-O 3.31Å; L685-S698 PolarHBondContact O-N 3.46Å; R696-S698 PolarHBondContact O-N 2.99Å; S698-Y700 WeakPolarHBondContact O-CD2 3.42Å; S698-Y700 VanDerWaalsContact O-CE2 3.29Å; S698-Y700 WeakPolarHBondContact O-CE2 3.47Å; S698-S733 WeakPolarHBondContact CB-O 3.24Å; S698-S733 PolarHBondContact OG-O 2.8Å; S698-I734 VanDerWaalsContact OG-CG2 3.3Å; S698-I734 WeakPolarHBondContact OG-CG2 3.38Å
699H98.1Very high96.6Very high2 Ų240.2 Ų40.21%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-95.2131.5177.1-178.5-124.8000109.8Q643 D682 Y684 P697Q643-H699 HydrophobicContact CB-CB 4.25Å; Q643-H699 PolarHBondContact N-O 3.39Å; Q643-H699 PolarHBondContact O-N 2.88Å; Q643-H699 PolarHBondContact OE1-ND1 2.89Å; D682-H699 IonicContact OD2-CE1 3.75Å; D682-H699 IonicContact OD2-NE2 3.48Å; D682-H699 PolarHBondContact OD2-NE2 3.25Å; Y684-H699 HydrophobicContact CD1-CB 3.83Å; Y684-H699 AromaticContact CD1-CD2 3.96Å; Y684-H699 HydrophobicContact CE1-CB 3.63Å; Y684-H699 AromaticContact CE1-CD2 3.62Å; Y684-H699 AromaticContact CE1-CG 3.8Å; Y684-H699 AromaticContact CE2-CD2 3.76Å; Y684-H699 AromaticContact CZ-CD2 3.5Å; Y684-H699 VanDerWaalsContact CZ-CD2 3.5Å; P697-H699 PolarHBondContact O-N 2.78Å
700Y98.4Very high96.7Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-120.3124.9-179.4-60.9-94.1000108Y602 I640 V641 V642 D682 F683 L685 S698 T718 P735Y602-Y700 HydrophobicContact CE1-CD1 4.36Å; Y602-Y700 HydrophobicContact CE1-CE1 4.39Å; I640-Y700 HydrophobicContact CG2-CD1 4.13Å; V641-Y700 WeakPolarHBondContact O-CA 3.38Å; V642-Y700 HydrophobicContact CB-CD1 4.47Å; V642-Y700 HydrophobicContact CB-CE1 4.33Å; V642-Y700 HydrophobicContact CG1-CD1 4.23Å; V642-Y700 HydrophobicContact CG1-CE1 3.72Å; V642-Y700 HydrophobicContact CG2-CD1 3.82Å; V642-Y700 HydrophobicContact CG2-CE1 3.78Å; D682-Y700 CarbonylContact C-O 3.29Å; D682-Y700 WeakPolarHBondContact CA-O 3.27Å; D682-Y700 WeakPolarHBondContact CB-O 3.47Å; F683-Y700 AromaticContact CD2-CD2 3.91Å; F683-Y700 HydrophobicContact CD2-CD2 3.91Å; F683-Y700 HydrophobicContact CD2-CG 4.32Å; F683-Y700 HydrophobicContact CE1-CG 4.49Å; F683-Y700 AromaticContact CE2-CD2 3.49Å; F683-Y700 HydrophobicContact CE2-CD2 3.49Å; F683-Y700 VanDerWaalsContact CE2-CD2 3.49Å; F683-Y700 HydrophobicContact CE2-CE2 4.27Å; F683-Y700 AromaticContact CE2-CG 3.67Å; F683-Y700 HydrophobicContact CE2-CG 3.67Å; F683-Y700 HydrophobicContact CZ-CD1 4.45Å; F683-Y700 HydrophobicContact CZ-CD2 4.1Å; F683-Y700 AromaticContact CZ-CG 3.77Å; F683-Y700 HydrophobicContact CZ-CG 3.77Å; F683-Y700 PolarHBondContact N-O 3.38Å; F683-Y700 PolarHBondContact O-N 2.76Å; L685-Y700 HydrophobicContact CB-CD2 4.22Å; L685-Y700 HydrophobicContact CB-CE2 3.77Å; L685-Y700 HydrophobicContact CD2-CE2 4.33Å; L685-Y700 HydrophobicContact CG-CE2 4.45Å; S698-Y700 WeakPolarHBondContact O-CD2 3.42Å; S698-Y700 VanDerWaalsContact O-CE2 3.29Å; S698-Y700 WeakPolarHBondContact O-CE2 3.47Å; Y700-T718 HydrophobicContact CD1-CG2 3.74Å; Y700-T718 HydrophobicContact CD2-CG2 4.43Å; Y700-T718 HydrophobicContact CE1-CG2 3.27Å; Y700-T718 HydrophobicContact CE2-CG2 4.05Å; Y700-T718 HydrophobicContact CG-CG2 4.29Å; Y700-T718 VanDerWaalsContact CZ-CG2 3.44Å; Y700-P735 HydrophobicContact CE1-CG 4Å; Y700-P735 WeakPolarHBondContact OH-CD 3.4Å
701Q97Very high96.9Very high17 Ų1744.4 Ų44.48%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-126.8121.7179.3-170.7166.6-6.700109M611 I640 V641 E680 D682 L703M611-Q701 HydrophobicContact CE-CB 4.5Å; M611-Q701 PolarHBondContact SD-OE1 3.15Å; I640-Q701 WeakPolarHBondContact CA-O 3.05Å; V641-Q701 PolarHBondContact N-O 2.76Å; V641-Q701 PolarHBondContact O-N 2.96Å; E680-Q701 PolarHBondContact OE2-NE2 2.98Å; D682-Q701 HydrophobicContact CB-CB 4.3Å; D682-Q701 HydrophobicContact CB-CG 4.22Å; Q701-L703 HydrophobicContact CG-CD2 3.96Å
702V97.7Very high97.2Very high16 Ų1642.9 Ų42.910%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-90.4112.9-177.6-174.30000108.4T638 I640 F681 D705 L714T638-V702 HydrophobicContact CG2-CG1 4.32Å; I640-V702 HydrophobicContact CG1-CG2 4.37Å; F681-V702 HydrophobicContact CB-CB 4.23Å; F681-V702 HydrophobicContact CD2-CB 3.49Å; F681-V702 VanDerWaalsContact CD2-CB 3.49Å; F681-V702 HydrophobicContact CD2-CG1 3.94Å; F681-V702 HydrophobicContact CD2-CG2 3.31Å; F681-V702 HydrophobicContact CE2-CB 4.24Å; F681-V702 HydrophobicContact CE2-CG2 3.62Å; F681-V702 HydrophobicContact CG-CB 4.22Å; F681-V702 HydrophobicContact CG-CG2 4.14Å; F681-V702 PolarHBondContact O-N 3.06Å; V702-D705 HydrophobicContact CG1-CB 4.02Å; V702-L714 HydrophobicContact CG2-CD2 3.48Å; V702-L714 VanDerWaalsContact CG2-CD2 3.48Å
703L96.2Very high97.5Very high37 Ų3738.3 Ų38.319%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-98.4-15.3-176.8-59-177.6000112.6M611 A615 Y639 V641 Q701M611-L703 HydrophobicContact CB-CD1 4.02Å; A615-L703 HydrophobicContact CB-CB 4.24Å; A615-L703 HydrophobicContact CB-CD1 3.56Å; Y639-L703 HydrophobicContact CD1-CB 4.04Å; Y639-L703 HydrophobicContact CD1-CD1 4.21Å; Y639-L703 HydrophobicContact CD1-CG 4.43Å; Y639-L703 HydrophobicContact CE1-CD1 4.07Å; Y639-L703 PolarHBondContact O-N 3.17Å; V641-L703 HydrophobicContact CG2-CD1 3.46Å; V641-L703 VanDerWaalsContact CG2-CD1 3.46Å; V641-L703 HydrophobicContact CG2-CG 4.15Å; Q701-L703 HydrophobicContact CG-CD2 3.96Å
704W98Very high97.8Very high81 Ų8137.6 Ų37.631%0.30720%0.202SC..EExtended strand (participates in β ladder)trans-158.6140.1176.5-167.4-92.9000109.8W616 L619 T638 Y639 D706W616-W704 AromaticContact CH2-CE3 3.94Å; W616-W704 HydrophobicContact CH2-CE3 3.94Å; W616-W704 AromaticContact CH2-CZ3 3.74Å; W616-W704 HydrophobicContact CH2-CZ3 3.74Å; W616-W704 AromaticContact CZ3-CE3 3.82Å; W616-W704 HydrophobicContact CZ3-CE3 3.82Å; W616-W704 AromaticContact CZ3-CZ3 3.75Å; W616-W704 HydrophobicContact CZ3-CZ3 3.75Å; L619-W704 HydrophobicContact CD1-CB 4.44Å; L619-W704 HydrophobicContact CD1-CG 4.04Å; L619-W704 HydrophobicContact CD2-CB 4.16Å; L619-W704 HydrophobicContact CD2-CD2 3.51Å; L619-W704 HydrophobicContact CD2-CE3 3.83Å; L619-W704 HydrophobicContact CD2-CG 3.63Å; T638-W704 CarbonylContact C-O 3.18Å; T638-W704 WeakPolarHBondContact CA-O 3.05Å; Y639-W704 PolarHBondContact N-O 3.28Å; W704-D706 PolarHBondContact NE1-OD1 2.93Å; W704-D706 PolarHBondContact NE1-OD2 3.06Å; W704-D706 VanDerWaalsContact NE1-OD2 3.14Å
705D98.3Very high97.9Very high40 Ų4036.8 Ų36.821%0.21420%0.198CC..EExtended strand (participates in β ladder)trans-15294.1176.2-170.220.6000113.5T638 V702 N707 C708 F709T638-D705 WeakPolarHBondContact CB-OD1 3.3Å; T638-D705 HydrophobicContact CG2-CB 4.14Å; T638-D705 WeakPolarHBondContact CG2-OD1 3.26Å; T638-D705 PolarHBondContact OG1-OD1 2.73Å; V702-D705 HydrophobicContact CG1-CB 4.02Å; D705-N707 PolarHBondContact O-N 2.95Å; D705-N707 WeakPolarHBondContact OD1-CB 3.48Å; D705-N707 PolarHBondContact OD1-N 3.17Å; D705-C708 PolarHBondContact OD1-N 2.8Å; D705-C708 PolarHBondContact OD2-N 2.88Å; D705-F709 WeakPolarHBondContact OD2-CB 3.35Å; D705-F709 PolarHBondContact OD2-N 3.04Å
706D98.5Very high97.9Very high65 Ų6538.6 Ų38.635%0.34821%0.207SC..THydrogen-bonded Turntrans-73.7-14.3171.3-59.1-47.7000112.4R623 I637 W704R623-D706 IonicContact NH2-OD1 2.7Å; R623-D706 IonicContact NH2-OD2 3.97Å; I637-D706 PolarHBondContact N-OD2 2.8Å; I637-D706 PolarHBondContact O-N 2.73Å; W704-D706 PolarHBondContact NE1-OD1 2.93Å; W704-D706 PolarHBondContact NE1-OD2 3.06Å; W704-D706 VanDerWaalsContact NE1-OD2 3.14Å
707N98Very high98Very high34 Ų3434.5 Ų34.518%0.18219%0.191CC..THydrogen-bonded Turntrans-93.8-2.5-173.3-63.9-60.8000113.3R598 G636 T638 D705 F709R598-N707 VanDerWaalsContact CD-OD1 3.27Å; R598-N707 WeakPolarHBondContact CD-OD1 3.38Å; R598-N707 WeakPolarHBondContact CG-OD1 3.2Å; G636-N707 PolarHBondContact O-ND2 3.44Å; T638-N707 PolarHBondContact OG1-ND2 3.18Å; D705-N707 PolarHBondContact O-N 2.95Å; D705-N707 WeakPolarHBondContact OD1-CB 3.48Å; D705-N707 PolarHBondContact OD1-N 3.17Å; N707-F709 HydrophobicContact CB-CD2 3.87Å; N707-F709 HydrophobicContact CB-CE2 3.63Å; N707-F709 PolarHBondContact O-N 3.29Å
708C97.3Very high98Very high109 Ų10934.4 Ų34.474%0.73619%0.19SC*.  trans51.848.7176-56.90000113.3D705D705-C708 PolarHBondContact OD1-N 2.8Å; D705-C708 PolarHBondContact OD2-N 2.88Å
709F98.2Very high98Very high19 Ų1934.5 Ų34.58%0.08319%0.191CC..  trans-62.4140.6177.3-81.1-83.3000111.6V511 I600 T638 D705 N707 E713 L714 L717V511-F709 HydrophobicContact CB-CE1 4.09Å; V511-F709 HydrophobicContact CB-CZ 4Å; V511-F709 HydrophobicContact CG2-CE1 4.27Å; V511-F709 HydrophobicContact CG2-CZ 3.67Å; I600-F709 HydrophobicContact CD1-CE2 3.57Å; I600-F709 HydrophobicContact CD1-CZ 3.76Å; T638-F709 HydrophobicContact CG2-CD2 4Å; T638-F709 HydrophobicContact CG2-CE2 4.22Å; T638-F709 WeakPolarHBondContact OG1-CE2 3.36Å; D705-F709 WeakPolarHBondContact OD2-CB 3.35Å; D705-F709 PolarHBondContact OD2-N 3.04Å; N707-F709 HydrophobicContact CB-CD2 3.87Å; N707-F709 HydrophobicContact CB-CE2 3.63Å; N707-F709 PolarHBondContact O-N 3.29Å; F709-E713 HydrophobicContact CD1-CB 4.07Å; F709-E713 HydrophobicContact CD1-CG 3.83Å; F709-E713 HydrophobicContact CE1-CG 4.02Å; F709-L714 HydrophobicContact CB-CB 3.99Å; F709-L714 HydrophobicContact CD1-CB 4.23Å; F709-L714 HydrophobicContact CD1-CD1 4.41Å; F709-L714 HydrophobicContact CD2-CD1 4.48Å; F709-L714 HydrophobicContact CG-CB 4.22Å; F709-L714 HydrophobicContact CG-CD1 4.31Å; F709-L717 HydrophobicContact CE1-CD2 3.9Å; F709-L717 HydrophobicContact CZ-CD2 3.98Å
710T98.3Very high98.1Very high84 Ų8434.7 Ų34.752%0.51519%0.192SC..  trans-76.6158.5161.865.40000110.6D712 E713 L714T710-D712 VanDerWaalsContact C-N 3.33Å; T710-D712 PolarHBondContact O-N 2.57Å; T710-E713 PolarHBondContact O-N 2.88Å; T710-E713 VanDerWaalsContact OG1-CB 3.3Å; T710-E713 WeakPolarHBondContact OG1-CB 3.35Å; T710-E713 PolarHBondContact OG1-N 2.99Å; T710-L714 PolarHBondContact O-N 2.96Å
711A97.8Very high98.1Very high34 Ų3434.7 Ų34.728%0.28119%0.192SC..Hα-helixtrans-50.9-52.1172.500000111.9F681 E713 L714 Q715F681-A711 HydrophobicContact CE1-CB 3.92Å; F681-A711 HydrophobicContact CZ-CB 4.33Å; A711-E713 PolarHBondContact O-N 2.93Å; A711-L714 PolarHBondContact O-N 3.3Å; A711-Q715 VanDerWaalsContact O-CB 3.22Å; A711-Q715 WeakPolarHBondContact O-CB 3.4Å; A711-Q715 WeakPolarHBondContact O-CG 3.45Å; A711-Q715 PolarHBondContact O-N 2.84Å
712D97.6Very high98.1Very high96 Ų9633.9 Ų33.951%0.51319%0.188SC..Hα-helixtrans-63.4-43.5-178.1-73.1-35.1000112.6R336 T710 L716R336-D712 IonicContact CZ-OD1 2.98Å; R336-D712 IonicContact NH1-OD1 3.88Å; R336-D712 PolarHBondContact NH1-OD1 2.89Å; R336-D712 IonicContact NH2-OD1 3.98Å; T710-D712 VanDerWaalsContact C-N 3.33Å; T710-D712 PolarHBondContact O-N 2.57Å; D712-L716 WeakPolarHBondContact O-CB 3.35Å; D712-L716 PolarHBondContact O-N 3.26Å
713E97.6Very high98.2Very high40 Ų4033.1 Ų33.119%0.18718%0.183CC..Hα-helixtrans-63.2-46.1-179.7-168.1179.6-176.100111.2P509 S510 V511 F709 T710 A711 L717P509-E713 HydrophobicContact CB-CG 3.83Å; S510-E713 PolarHBondContact N-OE1 3.35Å; S510-E713 VanDerWaalsContact OG-CD 3.31Å; S510-E713 PolarHBondContact OG-OE1 2.93Å; V511-E713 PolarHBondContact N-OE1 3.41Å; F709-E713 HydrophobicContact CD1-CB 4.07Å; F709-E713 HydrophobicContact CD1-CG 3.83Å; F709-E713 HydrophobicContact CE1-CG 4.02Å; T710-E713 PolarHBondContact O-N 2.88Å; T710-E713 VanDerWaalsContact OG1-CB 3.3Å; T710-E713 WeakPolarHBondContact OG1-CB 3.35Å; T710-E713 PolarHBondContact OG1-N 2.99Å; A711-E713 PolarHBondContact O-N 2.93Å; E713-L717 WeakPolarHBondContact O-CB 3.14Å; E713-L717 PolarHBondContact O-N 3.47Å
714L98.6Very high98.3Very high0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-71.8-40.3-177.8-173.359.6000112.5I640 F681 F683 V702 F709 T710 A711 L717 T718I640-L714 HydrophobicContact CD1-CD1 3.76Å; I640-L714 HydrophobicContact CD1-CD2 4.37Å; F681-L714 HydrophobicContact CD2-CD2 4.45Å; F681-L714 HydrophobicContact CE2-CD2 3.52Å; F681-L714 HydrophobicContact CZ-CB 4.43Å; F681-L714 HydrophobicContact CZ-CD2 4.04Å; F683-L714 HydrophobicContact CE1-CD2 4.22Å; F683-L714 HydrophobicContact CE1-CG 4.36Å; V702-L714 HydrophobicContact CG2-CD2 3.48Å; V702-L714 VanDerWaalsContact CG2-CD2 3.48Å; F709-L714 HydrophobicContact CB-CB 3.99Å; F709-L714 HydrophobicContact CD1-CB 4.23Å; F709-L714 HydrophobicContact CD1-CD1 4.41Å; F709-L714 HydrophobicContact CD2-CD1 4.48Å; F709-L714 HydrophobicContact CG-CB 4.22Å; F709-L714 HydrophobicContact CG-CD1 4.31Å; T710-L714 PolarHBondContact O-N 2.96Å; A711-L714 PolarHBondContact O-N 3.3Å; L714-L717 HydrophobicContact CD1-CD2 4.29Å; L714-L717 PolarHBondContact O-N 3.27Å; L714-T718 VanDerWaalsContact O-CB 3.26Å; L714-T718 WeakPolarHBondContact O-CB 3.14Å; L714-T718 PolarHBondContact O-N 3.26Å; L714-T718 PolarHBondContact O-OG1 2.96Å
715Q98.8Very high98.3Very high0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-65.2-43.7177.9-70.3164.77.300111L338 T670 D672 F683 A711 T718 Y719L338-Q715 HydrophobicContact CD1-CB 4.05Å; T670-Q715 HydrophobicContact CG2-CG 4.18Å; D672-Q715 PolarHBondContact OD2-NE2 3.35Å; F683-Q715 HydrophobicContact CD1-CG 3.99Å; F683-Q715 HydrophobicContact CD2-CG 3.77Å; F683-Q715 HydrophobicContact CE1-CG 4.03Å; F683-Q715 HydrophobicContact CE2-CB 4.41Å; F683-Q715 HydrophobicContact CE2-CG 3.82Å; F683-Q715 HydrophobicContact CG-CG 3.86Å; F683-Q715 HydrophobicContact CZ-CG 3.95Å; A711-Q715 VanDerWaalsContact O-CB 3.22Å; A711-Q715 WeakPolarHBondContact O-CB 3.4Å; A711-Q715 WeakPolarHBondContact O-CG 3.45Å; A711-Q715 PolarHBondContact O-N 2.84Å; Q715-T718 PolarHBondContact O-N 3.42Å; Q715-Y719 WeakPolarHBondContact O-CB 3.43Å; Q715-Y719 PolarHBondContact O-N 2.8Å
716L98.2Very high98.3Very high47 Ų4727.3 Ų27.325%0.24616%0.158CC..Hα-helixtrans-63.5-48.2175.2-17663.9000111P339 D712 T718 Y719 Q720P339-L716 HydrophobicContact CG-CD1 4.37Å; D712-L716 WeakPolarHBondContact O-CB 3.35Å; D712-L716 PolarHBondContact O-N 3.26Å; L716-T718 VanDerWaalsContact C-N 3.32Å; L716-T718 PolarHBondContact O-N 2.9Å; L716-Y719 PolarHBondContact O-N 2.87Å; L716-Y719 VanDerWaalsContact O-N 3.16Å; L716-Q720 HydrophobicContact CD1-CG 4.42Å; L716-Q720 HydrophobicContact CG-CG 4.41Å; L716-Q720 VanDerWaalsContact O-CG 3.29Å; L716-Q720 WeakPolarHBondContact O-CG 3.35Å; L716-Q720 PolarHBondContact O-N 3.25Å
717L98.6Very high98.2Very high1 Ų128.1 Ų28.11%0.00516%0.156CC..Hα-helixtrans-54-49.4175.6177.260.6000111.6P509 V511 F512 F518 F709 E713 L714 Y719 Q720 L721P509-L717 HydrophobicContact CG-CB 4.05Å; P509-L717 HydrophobicContact CG-CD1 4.29Å; V511-L717 HydrophobicContact CG1-CD1 4.13Å; V511-L717 HydrophobicContact CG1-CD2 4.14Å; F512-L717 HydrophobicContact CE2-CD1 3.56Å; F512-L717 HydrophobicContact CZ-CD1 3.95Å; F518-L717 HydrophobicContact CE1-CD1 3.85Å; F518-L717 HydrophobicContact CE1-CD2 4.13Å; F518-L717 HydrophobicContact CE1-CG 4.32Å; F518-L717 HydrophobicContact CZ-CD1 4.01Å; F709-L717 HydrophobicContact CE1-CD2 3.9Å; F709-L717 HydrophobicContact CZ-CD2 3.98Å; E713-L717 WeakPolarHBondContact O-CB 3.14Å; E713-L717 PolarHBondContact O-N 3.47Å; L714-L717 HydrophobicContact CD1-CD2 4.29Å; L714-L717 PolarHBondContact O-N 3.27Å; L717-Y719 VanDerWaalsContact C-N 3.31Å; L717-Y719 PolarHBondContact O-N 3.49Å; L717-Q720 PolarHBondContact O-N 3.25Å; L717-L721 HydrophobicContact CD1-CD1 4.34Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.32Å; L717-L721 WeakPolarHBondContact O-CG 3.46Å; L717-L721 PolarHBondContact O-N 2.85Å
718T98.8Very high98.2Very high0 Ų027.8 Ų27.80%016%0.156CC..Hα-helixtrans-57.3-45.5178-59.70000111Y602 F683 L685 Y700 L714 Q715 L716 L721 C722 P735Y602-T718 HydrophobicContact CE1-CG2 4.22Å; Y602-T718 PolarHBondContact OH-OG1 3.32Å; F683-T718 HydrophobicContact CE2-CG2 4.41Å; F683-T718 HydrophobicContact CZ-CG2 4.46Å; L685-T718 HydrophobicContact CD2-CG2 3.86Å; Y700-T718 HydrophobicContact CD1-CG2 3.74Å; Y700-T718 HydrophobicContact CD2-CG2 4.43Å; Y700-T718 HydrophobicContact CE1-CG2 3.27Å; Y700-T718 HydrophobicContact CE2-CG2 4.05Å; Y700-T718 HydrophobicContact CG-CG2 4.29Å; Y700-T718 VanDerWaalsContact CZ-CG2 3.44Å; L714-T718 VanDerWaalsContact O-CB 3.26Å; L714-T718 WeakPolarHBondContact O-CB 3.14Å; L714-T718 PolarHBondContact O-N 3.26Å; L714-T718 PolarHBondContact O-OG1 2.96Å; Q715-T718 PolarHBondContact O-N 3.42Å; L716-T718 VanDerWaalsContact C-N 3.32Å; L716-T718 PolarHBondContact O-N 2.9Å; T718-L721 PolarHBondContact O-N 2.88Å; T718-C722 PolarHBondContact O-N 2.93Å; T718-C722 PolarHBondContact O-SG 3.42Å; T718-P735 HydrophobicContact CG2-CG 3.91Å
719Y98.8Very high98.2Very high3 Ų323.1 Ų23.11%0.01212%0.124CC..Hα-helixtrans-67.6-39.5178.9-171.4-140.2000112.1L338 A340 A667 G668 L685 S687 Q715 L716 L717 L721 C722 H723L338-Y719 HydrophobicContact CB-CD1 3.72Å; L338-Y719 HydrophobicContact CB-CE1 4.06Å; L338-Y719 HydrophobicContact CD1-CD1 4.41Å; L338-Y719 HydrophobicContact CD1-CG 4.49Å; L338-Y719 WeakPolarHBondContact O-CE1 3.41Å; A340-Y719 HydrophobicContact CB-CE1 4.28Å; A667-Y719 VanDerWaalsContact C-OH 3.29Å; A667-Y719 PolarHBondContact O-OH 3.15Å; G668-Y719 VanDerWaalsContact CA-CZ 3.4Å; G668-Y719 WeakPolarHBondContact CA-OH 3.43Å; G668-Y719 PolarHBondContact N-OH 3.19Å; L685-Y719 HydrophobicContact CD1-CD2 4.05Å; L685-Y719 HydrophobicContact CD1-CG 4.33Å; L685-Y719 HydrophobicContact CD2-CD2 4.27Å; L685-Y719 HydrophobicContact CD2-CG 4.44Å; S687-Y719 WeakPolarHBondContact O-CE2 3.37Å; Q715-Y719 WeakPolarHBondContact O-CB 3.43Å; Q715-Y719 PolarHBondContact O-N 2.8Å; L716-Y719 PolarHBondContact O-N 2.87Å; L716-Y719 VanDerWaalsContact O-N 3.16Å; L717-Y719 VanDerWaalsContact C-N 3.31Å; L717-Y719 PolarHBondContact O-N 3.49Å; Y719-L721 PolarHBondContact O-N 2.86Å; Y719-C722 VanDerWaalsContact O-CB 3.27Å; Y719-C722 WeakPolarHBondContact O-CB 3.14Å; Y719-C722 PolarHBondContact O-N 2.85Å; Y719-C722 VanDerWaalsContact O-N 3.09Å; Y719-H723 AromaticContact CD2-CE1 3.84Å; Y719-H723 AromaticContact CE2-CE1 3.48Å; Y719-H723 VanDerWaalsContact CE2-CE1 3.48Å; Y719-H723 WeakPolarHBondContact CE2-CE1 3.41Å; Y719-H723 AromaticContact CZ-CE1 3.58Å; Y719-H723 PolarHBondContact O-CE1 2.9Å; Y719-H723 PolarHBondContact O-ND1 2.93Å
720Q98.6Very high98.2Very high5 Ų525.8 Ų25.82%0.02313%0.133CC..Hα-helixtrans-62.5-42.3175.7-69.5-170.9-1.400112.1P341 L503 Q507 L716 L717 C722 H723P341-Q720 HydrophobicContact CB-CG 3.94Å; P341-Q720 HydrophobicContact CG-CB 4.38Å; P341-Q720 HydrophobicContact CG-CG 4.04Å; L503-Q720 HydrophobicContact CD1-CB 3.91Å; L503-Q720 HydrophobicContact CD2-CB 4.11Å; Q507-Q720 PolarHBondContact O-NE2 3.35Å; L716-Q720 HydrophobicContact CD1-CG 4.42Å; L716-Q720 HydrophobicContact CG-CG 4.41Å; L716-Q720 VanDerWaalsContact O-CG 3.29Å; L716-Q720 WeakPolarHBondContact O-CG 3.35Å; L716-Q720 PolarHBondContact O-N 3.25Å; L717-Q720 PolarHBondContact O-N 3.25Å; Q720-C722 PolarHBondContact O-N 2.72Å; Q720-H723 WeakPolarHBondContact O-CB 3.44Å; Q720-H723 PolarHBondContact O-N 3.01Å
721L98.8Very high98.2Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-65.8-16.7175.5-67173.3000113.5F518 P547 Y602 L717 T718 Y719 H723 T724 P735 A736F518-L721 HydrophobicContact CD1-CD1 3.65Å; F518-L721 HydrophobicContact CD1-CD2 4.26Å; F518-L721 HydrophobicContact CE1-CD1 3.89Å; F518-L721 HydrophobicContact CE1-CD2 4.43Å; F518-L721 HydrophobicContact CG-CD1 4.45Å; F518-L721 HydrophobicContact CG-CD2 4.4Å; P547-L721 HydrophobicContact CG-CD2 4.02Å; Y602-L721 HydrophobicContact CD2-CD1 4.5Å; Y602-L721 HydrophobicContact CE2-CD1 3.53Å; L717-L721 HydrophobicContact CD1-CD1 4.34Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.32Å; L717-L721 WeakPolarHBondContact O-CG 3.46Å; L717-L721 PolarHBondContact O-N 2.85Å; T718-L721 PolarHBondContact O-N 2.88Å; Y719-L721 PolarHBondContact O-N 2.86Å; L721-H723 PolarHBondContact O-N 3.38Å; L721-T724 PolarHBondContact O-OG1 3.45Å; L721-T724 VanDerWaalsContact O-OG1 3.08Å; L721-P735 HydrophobicContact CB-CB 3.87Å; L721-A736 WeakPolarHBondContact O-CB 3.45Å; L721-A736 PolarHBondContact O-N 2.85Å
722C98.7Very high98.2Very high0 Ų021 Ų210%010%0.101CC..THydrogen-bonded Turntrans-73.5-14.1170.2-65.20000113.1S687 T718 Y719 Q720 S731 V732 I734S687-C722 VanDerWaalsContact CB-SG 3.58Å; T718-C722 PolarHBondContact O-N 2.93Å; T718-C722 PolarHBondContact O-SG 3.42Å; Y719-C722 VanDerWaalsContact O-CB 3.27Å; Y719-C722 WeakPolarHBondContact O-CB 3.14Å; Y719-C722 PolarHBondContact O-N 2.85Å; Y719-C722 VanDerWaalsContact O-N 3.09Å; Q720-C722 PolarHBondContact O-N 2.72Å; C722-S731 WeakPolarHBondContact O-CA 3.31Å; C722-V732 VanDerWaalsContact CB-O 3.31Å; C722-V732 WeakPolarHBondContact CB-O 3.46Å; C722-V732 WeakPolarHBondContact O-CG2 3.47Å; C722-V732 PolarHBondContact O-N 3.26Å; C722-I734 VanDerWaalsContact SG-C 3.55Å
723H98.6Very high98.2Very high0 Ų016.6 Ų16.60%08%0.078CC..SBendtrans-98.1-8.9179.3-63.774.8000113.4P341 L343 W360 Y719 Q720 L721 Y725 S731P341-H723 HydrophobicContact CG-CB 3.95Å; L343-H723 HydrophobicContact CD2-CB 4.19Å; W360-H723 HydrophobicContact CH2-CB 4.27Å; W360-H723 AromaticContact CZ3-CD2 3.7Å; Y719-H723 AromaticContact CD2-CE1 3.84Å; Y719-H723 AromaticContact CE2-CE1 3.48Å; Y719-H723 VanDerWaalsContact CE2-CE1 3.48Å; Y719-H723 WeakPolarHBondContact CE2-CE1 3.41Å; Y719-H723 AromaticContact CZ-CE1 3.58Å; Y719-H723 PolarHBondContact O-CE1 2.9Å; Y719-H723 PolarHBondContact O-ND1 2.93Å; Q720-H723 WeakPolarHBondContact O-CB 3.44Å; Q720-H723 PolarHBondContact O-N 3.01Å; L721-H723 PolarHBondContact O-N 3.38Å; H723-Y725 VanDerWaalsContact C-N 3.32Å; H723-Y725 PolarHBondContact O-N 3.41Å; H723-S731 PolarHBondContact CE1-OG 3.19Å; H723-S731 VanDerWaalsContact CE1-OG 3.29Å; H723-S731 WeakPolarHBondContact NE2-CB 3.42Å
724T98.2Very high98.2Very high7 Ų715.3 Ų15.34%0.0437%0.072CC..  trans-90.48.8-178.662.50000113.6L503 L721 V726 A736 Y740L503-T724 HydrophobicContact CD1-CG2 3.85Å; L503-T724 HydrophobicContact CD2-CG2 4.12Å; L503-T724 HydrophobicContact CG-CG2 3.78Å; L721-T724 PolarHBondContact O-OG1 3.45Å; L721-T724 VanDerWaalsContact O-OG1 3.08Å; T724-V726 PolarHBondContact O-N 2.97Å; T724-A736 VanDerWaalsContact OG1-CB 3.3Å; T724-A736 WeakPolarHBondContact OG1-CB 3.47Å; T724-Y740 PolarHBondContact O-OH 2.82Å; T724-Y740 VanDerWaalsContact O-OH 3.1Å
725Y98.4Very high98.2Very high20 Ų2015.3 Ų15.38%0.0787%0.072CC..  trans-76.3112.8179.6-177.3-112.2000111.9H723 R727 V732 Y739 Y740 L743H723-Y725 VanDerWaalsContact C-N 3.32Å; H723-Y725 PolarHBondContact O-N 3.41Å; Y725-R727 VanDerWaalsContact C-N 3.27Å; Y725-R727 HydrophobicContact CD1-CB 4.17Å; Y725-R727 HydrophobicContact CE1-CB 3.61Å; Y725-R727 HydrophobicContact CE1-CG 4.2Å; Y725-R727 HydrophobicContact CE2-CG 4.46Å; Y725-R727 PolarHBondContact O-N 3.23Å; Y725-R727 VanDerWaalsContact O-N 3.11Å; Y725-R727 WeakPolarHBondContact OH-CD 3.37Å; Y725-V732 HydrophobicContact CD1-CB 4.49Å; Y725-V732 HydrophobicContact CD1-CG1 3.51Å; Y725-V732 HydrophobicContact CD1-CG2 4.3Å; Y725-V732 HydrophobicContact CE1-CG1 4.06Å; Y725-V732 HydrophobicContact CG-CG1 4.09Å; Y725-V732 HydrophobicContact CG-CG2 4.02Å; Y725-Y739 HydrophobicContact CD2-CG 4.39Å; Y725-Y739 HydrophobicContact CE2-CD1 4.1Å; Y725-Y739 HydrophobicContact CE2-CG 4.01Å; Y725-Y740 WeakPolarHBondContact CA-OH 3.48Å; Y725-Y740 AromaticContact CD2-CD1 3.95Å; Y725-Y740 HydrophobicContact CD2-CD1 3.95Å; Y725-Y740 AromaticContact CD2-CE1 3.31Å; Y725-Y740 HydrophobicContact CD2-CE1 3.31Å; Y725-Y740 AromaticContact CD2-CZ 3.85Å; Y725-Y740 AromaticContact CE2-CD1 3.83Å; Y725-Y740 HydrophobicContact CE2-CD1 3.83Å; Y725-Y740 AromaticContact CE2-CE1 3.51Å; Y725-Y740 HydrophobicContact CE2-CE1 3.51Å; Y725-Y740 HydrophobicContact CG-CE1 4.44Å; Y725-L743 HydrophobicContact CE2-CD1 4.17Å
726V97.6Very high98.2Very high9 Ų915.3 Ų15.36%0.0557%0.072CC..THydrogen-bonded Turntrans-70.2-14.1-165.4-64.30000115.3L490 A494 N500 T724 Y740 M791 A794L490-V726 WeakPolarHBondContact CB-O 3.22Å; A494-V726 HydrophobicContact CB-CB 4.2Å; A494-V726 HydrophobicContact CB-CG2 3.87Å; N500-V726 PolarHBondContact ND2-O 2.69Å; T724-V726 PolarHBondContact O-N 2.97Å; V726-Y740 WeakPolarHBondContact CG1-OH 3.31Å; V726-Y740 HydrophobicContact CG2-CE1 4.13Å; V726-Y740 WeakPolarHBondContact CG2-OH 3.34Å; V726-Y740 PolarHBondContact N-OH 3.47Å; V726-M791 HydrophobicContact CG1-CE 4.47Å; V726-M791 HydrophobicContact CG2-CE 3.97Å; V726-A794 HydrophobicContact CG2-CB 4.46Å
727R97.6Very high98.3Very high82 Ų8213.1 Ų13.131%0.3096%0.06SC..THydrogen-bonded Turntrans-86.4-8-170.6-62.6-178.458.6173.1-0.7114.9K491 Y725 A794K491-R727 HydrophobicContact CG-CG 4.26Å; Y725-R727 VanDerWaalsContact C-N 3.27Å; Y725-R727 HydrophobicContact CD1-CB 4.17Å; Y725-R727 HydrophobicContact CE1-CB 3.61Å; Y725-R727 HydrophobicContact CE1-CG 4.2Å; Y725-R727 HydrophobicContact CE2-CG 4.46Å; Y725-R727 PolarHBondContact O-N 3.23Å; Y725-R727 VanDerWaalsContact O-N 3.11Å; Y725-R727 WeakPolarHBondContact OH-CD 3.37Å; R727-A794 WeakPolarHBondContact CD-OXT 3.4Å; R727-A794 VanDerWaalsContact CG-OXT 3.27Å; R727-A794 WeakPolarHBondContact CG-OXT 3.41Å; R727-A794 PolarHBondContact NE-OXT 3.44Å
728C96.8Very high98.2Very high27 Ų2713.2 Ų13.218%0.1826%0.061CC..SBendtrans-155.4159.8177.356.10000111.2R730C728-R730 HydrophobicContact CB-CG 4.38Å; C728-R730 PolarHBondContact O-N 3.22Å
729T97.3Very high98.2Very high11 Ų1115.6 Ų15.67%0.0677%0.071CC..SBendtrans-90.256.1170.952.80000111.4W360 M362W360-T729 VanDerWaalsContact CE2-CA 3.41Å; W360-T729 VanDerWaalsContact CZ2-CA 3.48Å; W360-T729 PolarHBondContact N-O 3.36Å; W360-T729 WeakPolarHBondContact O-CB 3.47Å; W360-T729 PolarHBondContact O-OG1 3.24Å; M362-T729 HydrophobicContact CG-CG2 3.74Å
730R97.8Very high98.2Very high75 Ų7515.5 Ų15.528%0.2837%0.07SC..BIsolated β-bridgetrans-143.4147.2-177.4-56.1-179.969.688.34109.8G358 V359 W360 C728 V732G358-R730 WeakPolarHBondContact O-CA 3.43Å; V359-R730 HydrophobicContact CG1-CG 4.38Å; V359-R730 HydrophobicContact CG2-CG 4.48Å; V359-R730 VanDerWaalsContact CG2-CZ 3.4Å; V359-R730 VanDerWaalsContact CG2-NH1 3.34Å; W360-R730 VanDerWaalsContact CH2-C 3.42Å; W360-R730 VanDerWaalsContact CH2-N 3.31Å; W360-R730 VanDerWaalsContact CZ3-CA 3.45Å; C728-R730 HydrophobicContact CB-CG 4.38Å; C728-R730 PolarHBondContact O-N 3.22Å; R730-V732 PolarHBondContact O-N 3.32Å
731S98.4Very high98.2Very high3 Ų315.2 Ų15.22%0.0217%0.069CC..  trans-69.3124.9164.1-1730000108.9G358 S687 H688 C722 H723G358-S731 PolarHBondContact O-N 3.35Å; S687-S731 WeakPolarHBondContact O-CB 3.4Å; S687-S731 PolarHBondContact O-OG 3.22Å; H688-S731 WeakPolarHBondContact CB-O 3.35Å; C722-S731 WeakPolarHBondContact O-CA 3.31Å; H723-S731 PolarHBondContact CE1-OG 3.19Å; H723-S731 VanDerWaalsContact CE1-OG 3.29Å; H723-S731 WeakPolarHBondContact NE2-CB 3.42Å
732V98.3Very high98Very high14 Ų1418.6 Ų18.69%0.0858%0.082CC..  trans-96163.1-179.3-65.60000111.5S687 C722 Y725 R730 I734 Y739S687-V732 PolarHBondContact OG-O 2.99Å; C722-V732 VanDerWaalsContact CB-O 3.31Å; C722-V732 WeakPolarHBondContact CB-O 3.46Å; C722-V732 WeakPolarHBondContact O-CG2 3.47Å; C722-V732 PolarHBondContact O-N 3.26Å; Y725-V732 HydrophobicContact CD1-CB 4.49Å; Y725-V732 HydrophobicContact CD1-CG1 3.51Å; Y725-V732 HydrophobicContact CD1-CG2 4.3Å; Y725-V732 HydrophobicContact CE1-CG1 4.06Å; Y725-V732 HydrophobicContact CG-CG1 4.09Å; Y725-V732 HydrophobicContact CG-CG2 4.02Å; R730-V732 PolarHBondContact O-N 3.32Å; V732-I734 VanDerWaalsContact C-N 3.25Å; V732-I734 VanDerWaalsContact CG2-O 3.3Å; V732-I734 WeakPolarHBondContact CG2-O 3.07Å; V732-I734 PolarHBondContact O-N 2.9Å; V732-Y739 HydrophobicContact CB-CD2 4.03Å; V732-Y739 HydrophobicContact CB-CE2 3.91Å; V732-Y739 HydrophobicContact CG2-CD2 3.82Å; V732-Y739 HydrophobicContact CG2-CE2 4.23Å
733S98Very high98Very high5 Ų519.9 Ų19.94%0.0359%0.088CC..SBendtrans-71.2-12.6-167.9620000116.1K644 S687 H688 S698K644-S733 WeakPolarHBondContact CE-OG 3.49Å; K644-S733 PolarHBondContact NZ-OG 3.48Å; S687-S733 VanDerWaalsContact OG-C 3.22Å; S687-S733 VanDerWaalsContact OG-CA 3.28Å; S687-S733 WeakPolarHBondContact OG-CA 3.36Å; S687-S733 PolarHBondContact OG-O 3.18Å; H688-S733 WeakPolarHBondContact ND1-CB 3.48Å; S698-S733 WeakPolarHBondContact CB-O 3.24Å; S698-S733 PolarHBondContact OG-O 2.8Å
734I98.5Very high98Very high13 Ų1319.9 Ų19.97%0.0679%0.088CC..SBendtrans-145.2156.8179.857.2177.4000107.8V642 K644 S698 C722 V732 A738 Y739V642-I734 HydrophobicContact CG1-CB 4.16Å; V642-I734 HydrophobicContact CG1-CG2 3.63Å; K644-I734 HydrophobicContact CB-CG2 4.32Å; K644-I734 HydrophobicContact CD-CG2 4.42Å; S698-I734 VanDerWaalsContact OG-CG2 3.3Å; S698-I734 WeakPolarHBondContact OG-CG2 3.38Å; C722-I734 VanDerWaalsContact SG-C 3.55Å; V732-I734 VanDerWaalsContact C-N 3.25Å; V732-I734 VanDerWaalsContact CG2-O 3.3Å; V732-I734 WeakPolarHBondContact CG2-O 3.07Å; V732-I734 PolarHBondContact O-N 2.9Å; I734-A738 HydrophobicContact CD1-CB 4.2Å; I734-Y739 HydrophobicContact CD1-CD2 3.83Å; I734-Y739 HydrophobicContact CD1-CE2 4.25Å; I734-Y739 HydrophobicContact CD1-CG 4.05Å; I734-Y739 HydrophobicContact CG1-CD2 3.25Å; I734-Y739 HydrophobicContact CG1-CE2 3.72Å; I734-Y739 HydrophobicContact CG1-CG 3.91Å
735P98.7Very high97.8Very high0 Ų019.5 Ų19.50%09%0.086CC..  trans-54.3143.5-179.7-29.538.8000112.1Y602 Y700 T718 L721 P737 A738 Y739Y602-P735 HydrophobicContact CD1-CB 4.49Å; Y602-P735 HydrophobicContact CD1-CG 3.9Å; Y602-P735 HydrophobicContact CE1-CG 3.77Å; Y602-P735 HydrophobicContact CG-CG 4.4Å; Y700-P735 HydrophobicContact CE1-CG 4Å; Y700-P735 WeakPolarHBondContact OH-CD 3.4Å; T718-P735 HydrophobicContact CG2-CG 3.91Å; L721-P735 HydrophobicContact CB-CB 3.87Å; P735-P737 VanDerWaalsContact C-CD 3.44Å; P735-P737 VanDerWaalsContact C-N 3.32Å; P735-P737 HydrophobicContact CB-CG 4.01Å; P735-A738 PolarHBondContact O-N 3.25Å; P735-A738 VanDerWaalsContact O-N 3.09Å; P735-Y739 PolarHBondContact O-N 3.08Å
736A98.6Very high97.6Very high0 Ų022.6 Ų22.60%010%0.1CC..Hα-helixtrans-45.8-46.2176.500000114.1L721 T724 A738 Y739 Y740L721-A736 WeakPolarHBondContact O-CB 3.45Å; L721-A736 PolarHBondContact O-N 2.85Å; T724-A736 VanDerWaalsContact OG1-CB 3.3Å; T724-A736 WeakPolarHBondContact OG1-CB 3.47Å; A736-A738 PolarHBondContact O-N 3.25Å; A736-Y739 WeakPolarHBondContact O-CB 3.48Å; A736-Y739 PolarHBondContact O-N 2.75Å; A736-Y739 VanDerWaalsContact O-N 3.15Å; A736-Y740 HydrophobicContact CB-CD2 4.32Å; A736-Y740 HydrophobicContact CB-CE2 3.71Å; A736-Y740 WeakPolarHBondContact O-CB 3.48Å; A736-Y740 WeakPolarHBondContact O-CD2 3.37Å; A736-Y740 PolarHBondContact O-N 3.29Å
737P98.6Very high97.5Very high0 Ų022.8 Ų22.80%010%0.1CC..Hα-helixtrans-55.8-48.5176.715.8-29.5000113.4V540 Y550 Y602 P735 Y739 Y740 A741V540-P737 HydrophobicContact CG2-CB 4.24Å; V540-P737 WeakPolarHBondContact CG2-O 3.46Å; Y550-P737 HydrophobicContact CE1-CB 3.78Å; Y550-P737 HydrophobicContact CE1-CG 4.44Å; Y602-P737 HydrophobicContact CD2-CG 4.13Å; P735-P737 VanDerWaalsContact C-CD 3.44Å; P735-P737 VanDerWaalsContact C-N 3.32Å; P735-P737 HydrophobicContact CB-CG 4.01Å; P737-Y739 VanDerWaalsContact C-N 3.3Å; P737-Y739 PolarHBondContact O-N 3.41Å; P737-Y740 PolarHBondContact O-N 2.98Å; P737-A741 PolarHBondContact O-N 2.86Å
738A98Very high97.4Very high3 Ų318.9 Ų18.93%0.0259%0.085CC..Hα-helixtrans-63.7-37.8177.800000111.7I734 P735 A736 R742I734-A738 HydrophobicContact CD1-CB 4.2Å; P735-A738 PolarHBondContact O-N 3.25Å; P735-A738 VanDerWaalsContact O-N 3.09Å; A736-A738 PolarHBondContact O-N 3.25Å; A738-R742 PolarHBondContact O-N 2.83Å
739Y97.9Very high97.1Very high51 Ų5119.9 Ų19.920%0.29%0.085CC..Hα-helixtrans-64.9-41.8175.6-128.8-56.5000112.1Y725 V732 I734 P735 A736 P737 R742 L743Y725-Y739 HydrophobicContact CD2-CG 4.39Å; Y725-Y739 HydrophobicContact CE2-CD1 4.1Å; Y725-Y739 HydrophobicContact CE2-CG 4.01Å; V732-Y739 HydrophobicContact CB-CD2 4.03Å; V732-Y739 HydrophobicContact CB-CE2 3.91Å; V732-Y739 HydrophobicContact CG2-CD2 3.82Å; V732-Y739 HydrophobicContact CG2-CE2 4.23Å; I734-Y739 HydrophobicContact CD1-CD2 3.83Å; I734-Y739 HydrophobicContact CD1-CE2 4.25Å; I734-Y739 HydrophobicContact CD1-CG 4.05Å; I734-Y739 HydrophobicContact CG1-CD2 3.25Å; I734-Y739 HydrophobicContact CG1-CE2 3.72Å; I734-Y739 HydrophobicContact CG1-CG 3.91Å; P735-Y739 PolarHBondContact O-N 3.08Å; A736-Y739 WeakPolarHBondContact O-CB 3.48Å; A736-Y739 PolarHBondContact O-N 2.75Å; A736-Y739 VanDerWaalsContact O-N 3.15Å; P737-Y739 VanDerWaalsContact C-N 3.3Å; P737-Y739 PolarHBondContact O-N 3.41Å; Y739-R742 PolarHBondContact O-N 3.35Å; Y739-L743 WeakPolarHBondContact O-CG 3.33Å; Y739-L743 PolarHBondContact O-N 3.4Å; Y739-L743 VanDerWaalsContact O-N 3.15Å
740Y98.6Very high96.9Very high0 Ų024.5 Ų24.50%010%0.102CC..Hα-helixtrans-67.7-42.9179.4-65-34.9000112.4Y550 T724 Y725 V726 A736 P737 R742 L743 V744 M791 F793Y550-Y740 HydrophobicContact CD1-CD2 4.17Å; Y550-Y740 AromaticContact CD2-CD2 3.67Å; Y550-Y740 HydrophobicContact CD2-CD2 3.67Å; Y550-Y740 AromaticContact CD2-CE2 3.41Å; Y550-Y740 HydrophobicContact CD2-CE2 3.41Å; Y550-Y740 VanDerWaalsContact CD2-CE2 3.41Å; Y550-Y740 HydrophobicContact CE2-CD2 4.09Å; Y550-Y740 AromaticContact CE2-CE2 3.68Å; Y550-Y740 HydrophobicContact CE2-CE2 3.68Å; Y550-Y740 AromaticContact CG-CD2 3.73Å; Y550-Y740 HydrophobicContact CG-CD2 3.73Å; Y550-Y740 AromaticContact CG-CE2 3.98Å; Y550-Y740 HydrophobicContact CG-CE2 3.98Å; T724-Y740 PolarHBondContact O-OH 2.82Å; T724-Y740 VanDerWaalsContact O-OH 3.1Å; Y725-Y740 WeakPolarHBondContact CA-OH 3.48Å; Y725-Y740 AromaticContact CD2-CD1 3.95Å; Y725-Y740 HydrophobicContact CD2-CD1 3.95Å; Y725-Y740 AromaticContact CD2-CE1 3.31Å; Y725-Y740 HydrophobicContact CD2-CE1 3.31Å; Y725-Y740 AromaticContact CD2-CZ 3.85Å; Y725-Y740 AromaticContact CE2-CD1 3.83Å; Y725-Y740 HydrophobicContact CE2-CD1 3.83Å; Y725-Y740 AromaticContact CE2-CE1 3.51Å; Y725-Y740 HydrophobicContact CE2-CE1 3.51Å; Y725-Y740 HydrophobicContact CG-CE1 4.44Å; V726-Y740 WeakPolarHBondContact CG1-OH 3.31Å; V726-Y740 HydrophobicContact CG2-CE1 4.13Å; V726-Y740 WeakPolarHBondContact CG2-OH 3.34Å; V726-Y740 PolarHBondContact N-OH 3.47Å; A736-Y740 HydrophobicContact CB-CD2 4.32Å; A736-Y740 HydrophobicContact CB-CE2 3.71Å; A736-Y740 WeakPolarHBondContact O-CB 3.48Å; A736-Y740 WeakPolarHBondContact O-CD2 3.37Å; A736-Y740 PolarHBondContact O-N 3.29Å; P737-Y740 PolarHBondContact O-N 2.98Å; Y740-R742 PolarHBondContact O-N 2.72Å; Y740-L743 HydrophobicContact CD1-CD1 4.29Å; Y740-L743 WeakPolarHBondContact O-CA 3.39Å; Y740-L743 WeakPolarHBondContact O-CB 3.36Å; Y740-L743 PolarHBondContact O-N 3.24Å; Y740-V744 WeakPolarHBondContact O-CG2 3.25Å; Y740-V744 PolarHBondContact O-N 3.34Å; Y740-M791 HydrophobicContact CD2-CE 4.36Å; Y740-M791 HydrophobicContact CE1-CE 4.03Å; Y740-M791 HydrophobicContact CE2-CE 3.87Å; Y740-F793 HydrophobicContact CD1-CD2 4.26Å; Y740-F793 AromaticContact CD1-CE2 3.77Å; Y740-F793 HydrophobicContact CD1-CE2 3.77Å; Y740-F793 HydrophobicContact CD2-CE2 4.42Å; Y740-F793 HydrophobicContact CG-CD2 4.48Å; Y740-F793 AromaticContact CG-CE2 3.72Å; Y740-F793 HydrophobicContact CG-CE2 3.72Å
741A98.3Very high96.7Very high0 Ų021.2 Ų21.20%09%0.09CC..Hα-helixtrans-53.7-44.1174.600000111.6G520 D522 A538 V540 P737 L743 V744 A745G520-A741 WeakPolarHBondContact O-CB 3.44Å; D522-A741 HydrophobicContact CB-CB 4.01Å; A538-A741 VanDerWaalsContact CB-O 3.26Å; A538-A741 WeakPolarHBondContact CB-O 3.26Å; V540-A741 HydrophobicContact CG2-CB 4.39Å; P737-A741 PolarHBondContact O-N 2.86Å; A741-L743 PolarHBondContact O-N 3.5Å; A741-V744 WeakPolarHBondContact O-CB 3.42Å; A741-V744 PolarHBondContact O-N 2.94Å; A741-A745 PolarHBondContact O-N 2.93Å
742R95.8Very high96.2Very high71 Ų7121.9 Ų21.927%0.2689%0.093SC..Hα-helixtrans-64.2-37.1175.1-172.3172.3176.9-160-5.9113.4D522 A738 Y739 Y740 F746D522-R742 HydrophobicContact CB-CB 4.44Å; A738-R742 PolarHBondContact O-N 2.83Å; Y739-R742 PolarHBondContact O-N 3.35Å; Y740-R742 PolarHBondContact O-N 2.72Å; R742-F746 HydrophobicContact CG-CD2 3.93Å; R742-F746 HydrophobicContact CG-CE2 3.51Å; R742-F746 HydrophobicContact CG-CZ 4.11Å; R742-F746 VanDerWaalsContact NE-CE2 3.29Å; R742-F746 WeakPolarHBondContact O-CD2 3.36Å; R742-F746 WeakPolarHBondContact O-CG 3.45Å; R742-F746 PolarHBondContact O-N 2.69Å
743L97.5Very high95.4Very high26 Ų2624 Ų2414%0.13611%0.106CC..Hα-helixtrans-65.8-38.6174.2-67.5-178.8000112Y725 Y739 Y740 A741 F746 R747 F793Y725-L743 HydrophobicContact CE2-CD1 4.17Å; Y739-L743 WeakPolarHBondContact O-CG 3.33Å; Y739-L743 PolarHBondContact O-N 3.4Å; Y739-L743 VanDerWaalsContact O-N 3.15Å; Y740-L743 HydrophobicContact CD1-CD1 4.29Å; Y740-L743 WeakPolarHBondContact O-CA 3.39Å; Y740-L743 WeakPolarHBondContact O-CB 3.36Å; Y740-L743 PolarHBondContact O-N 3.24Å; A741-L743 PolarHBondContact O-N 3.5Å; L743-F746 PolarHBondContact O-N 3.01Å; L743-R747 WeakPolarHBondContact O-CB 3.47Å; L743-R747 PolarHBondContact O-N 2.79Å; L743-F793 HydrophobicContact CB-CB 4.27Å; L743-F793 HydrophobicContact CB-CD2 4.41Å
744V98.4Very high93.9Very high0 Ų026.8 Ų26.80%012%0.121CC..Hα-helixtrans-63.9-49.3176172.30000110.4A538 V540 A552 V554 Y740 A741 F746 R747 A748 F793A538-V744 HydrophobicContact CB-CB 3.83Å; A538-V744 HydrophobicContact CB-CG1 3.63Å; V540-V744 HydrophobicContact CG1-CG2 3.87Å; A552-V744 HydrophobicContact CB-CB 4.45Å; A552-V744 HydrophobicContact CB-CG1 4.08Å; A552-V744 HydrophobicContact CB-CG2 3.51Å; V554-V744 HydrophobicContact CB-CG1 3.83Å; V554-V744 HydrophobicContact CG2-CG1 4.1Å; Y740-V744 WeakPolarHBondContact O-CG2 3.25Å; Y740-V744 PolarHBondContact O-N 3.34Å; A741-V744 WeakPolarHBondContact O-CB 3.42Å; A741-V744 PolarHBondContact O-N 2.94Å; V744-F746 VanDerWaalsContact C-N 3.33Å; V744-F746 PolarHBondContact O-N 3.17Å; V744-R747 WeakPolarHBondContact O-CB 3.26Å; V744-R747 PolarHBondContact O-N 2.85Å; V744-A748 PolarHBondContact O-N 2.82Å; V744-F793 HydrophobicContact CG2-CB 3.78Å; V744-F793 HydrophobicContact CG2-CD1 3.44Å; V744-F793 VanDerWaalsContact CG2-CD1 3.44Å; V744-F793 HydrophobicContact CG2-CD2 4.15Å; V744-F793 HydrophobicContact CG2-CE1 4.02Å; V744-F793 HydrophobicContact CG2-CG 3.51Å
745A95.2Very high91.6Very high0 Ų031.7 Ų31.70%014%0.141CC..Hα-helixtrans-59.6-42.4177.600000112I536 A538 A741 R747 A748 R749I536-A745 HydrophobicContact CG2-CB 4.11Å; A538-A745 HydrophobicContact CB-CB 3.95Å; A741-A745 PolarHBondContact O-N 2.93Å; A745-R747 PolarHBondContact O-N 2.88Å; A745-A748 PolarHBondContact O-N 2.84Å; A745-R749 PolarHBondContact O-N 3.14Å; A745-R749 VanDerWaalsContact O-N 3.12Å
746F93.6Very high88.7Confident84 Ų8438.8 Ų38.837%0.36818%0.179SC..Hα-helixtrans-65.8-35.9174-73.5-39.2000113.3T524 R742 L743 V744 R749 Y750T524-F746 HydrophobicContact CG2-CD1 4.3Å; T524-F746 HydrophobicContact CG2-CE1 4.03Å; R742-F746 HydrophobicContact CG-CD2 3.93Å; R742-F746 HydrophobicContact CG-CE2 3.51Å; R742-F746 HydrophobicContact CG-CZ 4.11Å; R742-F746 VanDerWaalsContact NE-CE2 3.29Å; R742-F746 WeakPolarHBondContact O-CD2 3.36Å; R742-F746 WeakPolarHBondContact O-CG 3.45Å; R742-F746 PolarHBondContact O-N 2.69Å; L743-F746 PolarHBondContact O-N 3.01Å; V744-F746 VanDerWaalsContact C-N 3.33Å; V744-F746 PolarHBondContact O-N 3.17Å; F746-R749 WeakPolarHBondContact O-CB 3.32Å; F746-R749 PolarHBondContact O-N 2.85Å; F746-Y750 WeakPolarHBondContact O-CD2 3.4Å; F746-Y750 PolarHBondContact O-N 3.44Å
747R95.9Very high86Confident13 Ų1342.7 Ų42.75%0.04920%0.197CC..Hα-helixtrans-65.5-45.7176.3-177.661.164.571.716.2111.3D462 L743 V744 A745 R749 Y750 H751 Y792 F793D462-R747 IonicContact OD1-NH1 2.99Å; D462-R747 WeakPolarHBondContact OD2-CD 3.1Å; D462-R747 IonicContact OD2-CZ 3.76Å; D462-R747 IonicContact OD2-NE 3.41Å; D462-R747 IonicContact OD2-NH1 3.49Å; D462-R747 PolarHBondContact OD2-NH1 2.79Å; L743-R747 WeakPolarHBondContact O-CB 3.47Å; L743-R747 PolarHBondContact O-N 2.79Å; V744-R747 WeakPolarHBondContact O-CB 3.26Å; V744-R747 PolarHBondContact O-N 2.85Å; A745-R747 PolarHBondContact O-N 2.88Å; R747-R749 PolarHBondContact O-N 3.12Å; R747-Y750 WeakPolarHBondContact O-CA 3.3Å; R747-Y750 WeakPolarHBondContact O-CB 3.29Å; R747-Y750 PolarHBondContact O-N 3.12Å; R747-H751 PolarHBondContact O-N 2.76Å; R747-H751 VanDerWaalsContact O-N 3.13Å; R747-Y792 HydrophobicContact CB-CE2 4.42Å; R747-Y792 HydrophobicContact CG-CD2 4.12Å; R747-Y792 HydrophobicContact CG-CE2 3.68Å; R747-Y792 VanDerWaalsContact CZ-O 3.31Å; R747-Y792 PolarHBondContact NH1-O 2.83Å; R747-Y792 PolarHBondContact NH2-O 3.4Å; R747-F793 PolarHBondContact NH2-O 2.94Å
748A95.2Very high82.9Confident0 Ų047.7 Ų47.70%022%0.224CC..Hα-helixtrans-60.3-33.3175.600000112.4I536 V554 V744 A745 Y750 H751 L752 V781I536-A748 HydrophobicContact CD1-CB 4.18Å; I536-A748 HydrophobicContact CG2-CB 3.89Å; V554-A748 HydrophobicContact CG2-CB 3.6Å; V744-A748 PolarHBondContact O-N 2.82Å; A745-A748 PolarHBondContact O-N 2.84Å; A748-Y750 VanDerWaalsContact C-N 3.26Å; A748-Y750 PolarHBondContact O-N 2.84Å; A748-H751 WeakPolarHBondContact O-CB 3.29Å; A748-H751 PolarHBondContact O-N 3.21Å; A748-H751 VanDerWaalsContact O-N 3.1Å; A748-L752 WeakPolarHBondContact O-CG 3.15Å; A748-L752 PolarHBondContact O-N 2.9Å; A748-L752 VanDerWaalsContact O-N 3.09Å; A748-V781 HydrophobicContact CB-CB 4.16Å; A748-V781 HydrophobicContact CB-CG1 3.83Å
749R91.4Very high79.7Confident48 Ų4850.1 Ų50.118%0.18124%0.241CC..Hα-helixtrans-61.4-34172.1-170.36570.1-170.33.6112.7T524 P534 I536 A745 F746 R747T524-R749 PolarHBondContact O-NH2 2.83Å; P534-R749 PolarHBondContact O-NH1 3.11Å; P534-R749 PolarHBondContact O-NH2 3.25Å; I536-R749 HydrophobicContact CD1-CB 3.82Å; A745-R749 PolarHBondContact O-N 3.14Å; A745-R749 VanDerWaalsContact O-N 3.12Å; F746-R749 WeakPolarHBondContact O-CB 3.32Å; F746-R749 PolarHBondContact O-N 2.85Å; R747-R749 PolarHBondContact O-N 3.12Å
750Y91.7Very high76.8Confident109 Ų10950.7 Ų50.743%0.42726%0.256SS..Hα-helixtrans-72-33.6172.9-81.2-74.2000112.6Y454 A455 F746 R747 A748 L752 V753Y454-Y750 AromaticContact CD1-CD1 3.85Å; Y454-Y750 HydrophobicContact CD1-CD1 3.85Å; Y454-Y750 AromaticContact CD1-CE1 3.72Å; Y454-Y750 HydrophobicContact CD1-CE1 3.72Å; Y454-Y750 HydrophobicContact CD1-CE2 4.47Å; Y454-Y750 HydrophobicContact CD1-CG 4.28Å; Y454-Y750 HydrophobicContact CE1-CD1 4.01Å; Y454-Y750 AromaticContact CE1-CD2 3.93Å; Y454-Y750 HydrophobicContact CE1-CD2 3.93Å; Y454-Y750 AromaticContact CE1-CE1 3.95Å; Y454-Y750 HydrophobicContact CE1-CE1 3.95Å; Y454-Y750 AromaticContact CE1-CE2 3.86Å; Y454-Y750 HydrophobicContact CE1-CE2 3.86Å; Y454-Y750 AromaticContact CE1-CG 4Å; Y454-Y750 HydrophobicContact CE1-CG 4Å; Y454-Y750 AromaticContact CE1-CZ 3.87Å; A455-Y750 HydrophobicContact CB-CD1 4.04Å; F746-Y750 WeakPolarHBondContact O-CD2 3.4Å; F746-Y750 PolarHBondContact O-N 3.44Å; R747-Y750 WeakPolarHBondContact O-CA 3.3Å; R747-Y750 WeakPolarHBondContact O-CB 3.29Å; R747-Y750 PolarHBondContact O-N 3.12Å; A748-Y750 VanDerWaalsContact C-N 3.26Å; A748-Y750 PolarHBondContact O-N 2.84Å; Y750-L752 PolarHBondContact O-N 2.85Å; Y750-V753 WeakPolarHBondContact O-CB 3.27Å; Y750-V753 WeakPolarHBondContact O-CG2 3.4Å; Y750-V753 PolarHBondContact O-N 2.77Å
751H93.5Very high73.7Confident5 Ų556.6 Ų56.62%0.02328%0.284CS..Hα-helixtrans-67.5-25.3175.4-57.1155.4000113.1K458 D462 T463 R747 A748 V753 A780K458-H751 PolarHBondContact O-NE2 3.02Å; D462-H751 IonicContact OD2-CE1 2.72Å; D462-H751 IonicContact OD2-NE2 3.71Å; D462-H751 PolarHBondContact OD2-NE2 3.42Å; T463-H751 HydrophobicContact CG2-CB 4.46Å; R747-H751 PolarHBondContact O-N 2.76Å; R747-H751 VanDerWaalsContact O-N 3.13Å; A748-H751 WeakPolarHBondContact O-CB 3.29Å; A748-H751 PolarHBondContact O-N 3.21Å; A748-H751 VanDerWaalsContact O-N 3.1Å; H751-V753 VanDerWaalsContact C-N 3.32Å; H751-A780 WeakPolarHBondContact CB-O 3.34Å
752L89Confident70.6Confident18 Ų1858.5 Ų58.59%0.09430%0.304CS..THydrogen-bonded Turntrans-83.31175.7-69174.4000114.6P534 I536 V556 A748 Y750 D754 L777 A780 V781P534-L752 HydrophobicContact CG-CD1 4.13Å; I536-L752 HydrophobicContact CD1-CD1 3.84Å; I536-L752 HydrophobicContact CG1-CD1 4.29Å; V556-L752 HydrophobicContact CG1-CD1 4.07Å; A748-L752 WeakPolarHBondContact O-CG 3.15Å; A748-L752 PolarHBondContact O-N 2.9Å; A748-L752 VanDerWaalsContact O-N 3.09Å; Y750-L752 PolarHBondContact O-N 2.85Å; L752-D754 PolarHBondContact O-N 2.87Å; L752-L777 HydrophobicContact CD2-CB 4.46Å; L752-L777 HydrophobicContact CD2-CD2 3.79Å; L752-A780 HydrophobicContact CD2-CB 3.83Å; L752-V781 HydrophobicContact CD1-CG1 4.05Å; L752-V781 HydrophobicContact CD2-CG1 3.83Å; L752-V781 HydrophobicContact CG-CG1 3.71Å
753V82.2Confident67.7Low58 Ų5859 Ų5935%0.35232%0.318SS..  trans-76121.2175.6179.70000108.4A455 Y750 H751A455-V753 HydrophobicContact CB-CB 4.19Å; A455-V753 HydrophobicContact CB-CG1 4.41Å; A455-V753 HydrophobicContact CB-CG2 4.43Å; Y750-V753 WeakPolarHBondContact O-CB 3.27Å; Y750-V753 WeakPolarHBondContact O-CG2 3.4Å; Y750-V753 PolarHBondContact O-N 2.77Å; H751-V753 VanDerWaalsContact C-N 3.32Å
754D65.4Low64.6Low64 Ų6461.5 Ų61.534%0.34233%0.328SS..  trans-76.9149.6177.3-87.121.4000111.7L752 D756 H757 R772L752-D754 PolarHBondContact O-N 2.87Å; D754-D756 PolarHBondContact O-N 3.32Å; D754-H757 HydrophobicContact CB-CB 4.13Å; D754-H757 PolarHBondContact O-N 2.75Å; D754-R772 IonicContact OD1-CZ 3.93Å; D754-R772 IonicContact OD1-NH1 3.09Å; D754-R772 PolarHBondContact OD1-NH1 3.14Å; D754-R772 IonicContact OD1-NH2 2.72Å; D754-R772 PolarHBondContact OD1-NH2 3.08Å; D754-R772 VanDerWaalsContact OD1-NH2 3.16Å; D754-R772 IonicContact OD2-CZ 2.78Å; D754-R772 IonicContact OD2-NE 2.68Å; D754-R772 IonicContact OD2-NH1 3.81Å; D754-R772 PolarHBondContact OD2-NH1 2.92Å; D754-R772 IonicContact OD2-NH2 3.13Å; D754-R772 PolarHBondContact OD2-NH2 3.2Å
755K50Low61.4Low116 Ų11667 Ų6750%0.50436%0.362SS..THydrogen-bonded Turntrans-60.5-31.9173.6-70.1-172174.5-166.90112.7E427 E456E427-K755 IonicContact OE2-NZ 3.3Å; E456-K755 VanDerWaalsContact CD-CE 3.5Å; E456-K755 WeakPolarHBondContact OE1-CE 3.42Å; E456-K755 IonicContact OE1-NZ 3.75Å; E456-K755 PolarHBondContact OE1-NZ 3.13Å; E456-K755 WeakPolarHBondContact OE2-CE 3.31Å
756D37.9Very low58.2Low149 Ų14972.4 Ų72.480%0.79740%0.4SS*.THydrogen-bonded Turntrans-95.74.6-178.2-60.1-41.6000114.2D754D754-D756 PolarHBondContact O-N 3.32Å
757H41.6Very low55.2Low82 Ų8271.6 Ų71.638%0.3842%0.415SS..SBendtrans-127.8104.2-179.5-77.5-50.7000112.4D754D754-H757 HydrophobicContact CB-CB 4.13Å; D754-H757 PolarHBondContact O-N 2.75Å
758D33.7Very low52.2Low105 Ų10580.7 Ų80.756%0.56146%0.458SS*.  trans-15.4122.4173.3-77.9-46000117.1A760 H764D758-A760 PolarHBondContact O-N 2.91Å; D758-A760 VanDerWaalsContact O-N 3.13Å; D758-H764 IonicContact OD2-CD2 3.84Å; D758-H764 IonicContact OD2-NE2 2.69Å
759S31.6Very low49.2Very low53 Ų5385 Ų8537%0.37149%0.488SS..THydrogen-bonded Turntrans-22108.1149.6-20.70000112.9P452 E761P452-S759 WeakPolarHBondContact CB-OG 3.46Å; P452-S759 WeakPolarHBondContact CD-OG 3.46Å; S759-E761 PolarHBondContact O-N 3.12Å
760A35.4Very low46.6Very low64 Ų6490.3 Ų90.353%0.52952%0.52SS..THydrogen-bonded Turntrans38.742.2148.100000117.5D758D758-A760 PolarHBondContact O-N 2.91Å; D758-A760 VanDerWaalsContact O-N 3.13Å
761E34.4Very low44.5Very low124 Ų12488.6 Ų88.658%0.57954%0.535SS*.SBendtrans-169.5108.2159.8-111.1167.9-145.100108.6S759S759-E761 PolarHBondContact O-N 3.12Å
762G34Very low42.8Very low40 Ų4093.4 Ų93.441%0.41255%0.553SS.*  trans73.6100.6162.900000116.9K183 H764K183-G762 PolarHBondContact NZ-O 3.02Å; G762-H764 PolarHBondContact O-N 2.93Å; G762-H764 VanDerWaalsContact O-N 3.14Å
763S34Very low42.1Very low81 Ų8196.7 Ų96.757%0.56657%0.571SS**  trans-47.8117.116048.70000111.4K183K183-S763 WeakPolarHBondContact CE-O 3.5Å
764H32.1Very low41.8Very low78 Ų7898 Ų9836%0.36158%0.581SS.*  trans-78.7133.7162-80.2-82.8000108.8V179 K183 D758 G762V179-H764 WeakPolarHBondContact CG1-CE1 3.42Å; K183-H764 PolarHBondContact NZ-CD2 2.99Å; K183-H764 PolarHBondContact NZ-CE1 2.77Å; K183-H764 PolarHBondContact NZ-ND1 3.37Å; K183-H764 PolarHBondContact NZ-NE2 3.46Å; D758-H764 IonicContact OD2-CD2 3.84Å; D758-H764 IonicContact OD2-NE2 2.69Å; G762-H764 PolarHBondContact O-N 2.93Å; G762-H764 VanDerWaalsContact O-N 3.14Å
765V32.5Very low42.7Very low117 Ų117101.9 Ų101.971%0.70960%0.597SS**  trans-106.8120.5159.9179.60000105.9
766S27.5Very low44.3Very low113 Ų11398.9 Ų98.979%0.7959%0.594SS**  trans-144.5119.5153.651.50000108
767G30.5Very low46.6Very low66 Ų6693 Ų9368%0.6856%0.562SS**SBendtrans68.5104.4160.800000116.4S769G767-S769 PolarHBondContact O-N 2.51Å
768Q31.8Very low48.9Very low205 Ų20591.3 Ų91.396%0.95856%0.562SS**  trans45.871.2152.5-65.8176-16.400116.4
769S33.6Very low51.5Low91 Ų9193.8 Ų93.864%0.63657%0.568SS**  trans-117.7106.6145.853.50000107.9G767G767-S769 PolarHBondContact O-N 2.51Å
770N37.2Very low54.2Low158 Ų15892.9 Ų92.985%0.84556%0.564SS**  trans-46.7144.8159-77.7-18.5000108.2R772N770-R772 PolarHBondContact O-N 2.79Å
771G47.5Very low57Low73 Ų7390 Ų9075%0.75354%0.539SS*.  trans-41.6128.3179.700000110.4D773G771-D773 PolarHBondContact O-N 2.89Å
772R57.8Low59.8Low106 Ų10689.9 Ų89.940%0.454%0.539SS..  trans-52.9132.8-178.9-70.4-174.8-165.4167.49.2108.7D754 N770 P774 L777D754-R772 IonicContact OD1-CZ 3.93Å; D754-R772 IonicContact OD1-NH1 3.09Å; D754-R772 PolarHBondContact OD1-NH1 3.14Å; D754-R772 IonicContact OD1-NH2 2.72Å; D754-R772 PolarHBondContact OD1-NH2 3.08Å; D754-R772 VanDerWaalsContact OD1-NH2 3.16Å; D754-R772 IonicContact OD2-CZ 2.78Å; D754-R772 IonicContact OD2-NE 2.68Å; D754-R772 IonicContact OD2-NH1 3.81Å; D754-R772 PolarHBondContact OD2-NH1 2.92Å; D754-R772 IonicContact OD2-NH2 3.13Å; D754-R772 PolarHBondContact OD2-NH2 3.2Å; N770-R772 PolarHBondContact O-N 2.79Å; R772-P774 WeakPolarHBondContact O-CD 3.31Å; R772-P774 VanDerWaalsContact O-N 3.16Å; R772-L777 HydrophobicContact CB-CD1 4.35Å; R772-L777 HydrophobicContact CB-CD2 4.38Å; R772-L777 HydrophobicContact CB-CG 4.16Å
773D72.8Confident62.7Low88 Ų8888.8 Ų88.847%0.47152%0.523SS..  trans-44.3120.6171.4175.27000109.7G771 Q775 A776 L777G771-D773 PolarHBondContact O-N 2.89Å; D773-Q775 PolarHBondContact O-N 3.48Å; D773-Q775 WeakPolarHBondContact OD1-CB 3.18Å; D773-Q775 PolarHBondContact OD1-N 2.91Å; D773-A776 HydrophobicContact CB-CB 4.28Å; D773-A776 WeakPolarHBondContact O-CB 3.43Å; D773-A776 PolarHBondContact O-N 3.36Å; D773-L777 PolarHBondContact O-N 3.2Å
774P77.3Confident65.7Low85 Ų8586.6 Ų86.655%0.55250%0.504SS*.Hα-helixtrans-48.7-32.2175.6-29.535.9000113.2R772 L777 A778R772-P774 WeakPolarHBondContact O-CD 3.31Å; R772-P774 VanDerWaalsContact O-N 3.16Å; P774-L777 PolarHBondContact O-N 3.41Å; P774-A778 WeakPolarHBondContact O-CB 3.48Å; P774-A778 PolarHBondContact O-N 2.95Å
775Q82.8Confident68.7Low146 Ų14688.6 Ų88.668%0.68251%0.513SS*.Hα-helixtrans-67.5-37.6177.9-164.2172.91000112.4D773 A778 K779D773-Q775 PolarHBondContact O-N 3.48Å; D773-Q775 WeakPolarHBondContact OD1-CB 3.18Å; D773-Q775 PolarHBondContact OD1-N 2.91Å; Q775-A778 PolarHBondContact O-N 2.82Å; Q775-K779 WeakPolarHBondContact O-CB 3.35Å; Q775-K779 PolarHBondContact O-N 3.33Å
776A85.4Confident71.6Confident53 Ų5386.8 Ų86.844%0.43850%0.5SS..Hα-helixtrans-66.7-40.4175.400000111.7D773 K779 A780D773-A776 HydrophobicContact CB-CB 4.28Å; D773-A776 WeakPolarHBondContact O-CB 3.43Å; D773-A776 PolarHBondContact O-N 3.36Å; A776-K779 PolarHBondContact O-N 3.42Å; A776-A780 WeakPolarHBondContact O-CB 3.33Å; A776-A780 PolarHBondContact O-N 2.94Å
777L86.1Confident74.8Confident26 Ų2681.7 Ų81.714%0.13646%0.464CS..Hα-helixtrans-64.3-40.9175-67.9172.2000111.7P534 V556 L752 R772 D773 P774 A780P534-L777 HydrophobicContact CG-CD1 4.18Å; V556-L777 HydrophobicContact CG1-CB 4.46Å; V556-L777 HydrophobicContact CG2-CB 4Å; L752-L777 HydrophobicContact CD2-CB 4.46Å; L752-L777 HydrophobicContact CD2-CD2 3.79Å; R772-L777 HydrophobicContact CB-CD1 4.35Å; R772-L777 HydrophobicContact CB-CD2 4.38Å; R772-L777 HydrophobicContact CB-CG 4.16Å; D773-L777 PolarHBondContact O-N 3.2Å; P774-L777 PolarHBondContact O-N 3.41Å; L777-A780 PolarHBondContact O-N 3.46Å
778A88Confident77.7Confident46 Ų4682.4 Ų82.438%0.3845%0.45SS..Hα-helixtrans-64.2-43.817600000111.8V556 P774 Q775 A780 V781 Q782V556-A778 HydrophobicContact CG2-CB 4.1Å; P774-A778 WeakPolarHBondContact O-CB 3.48Å; P774-A778 PolarHBondContact O-N 2.95Å; Q775-A778 PolarHBondContact O-N 2.82Å; A778-A780 VanDerWaalsContact C-N 3.32Å; A778-A780 PolarHBondContact O-N 3.25Å; A778-V781 VanDerWaalsContact O-CG2 3.26Å; A778-V781 WeakPolarHBondContact O-CG2 3.36Å; A778-V781 PolarHBondContact O-N 3.35Å; A778-Q782 PolarHBondContact O-N 3.08Å
779K88.8Confident80.5Confident157 Ų15777.6 Ų77.668%0.68343%0.427SS*.Hα-helixtrans-63-37.3176.5-172.9174.9-178.1177.60112.4Q775 A776 V781 Q782Q775-K779 WeakPolarHBondContact O-CB 3.35Å; Q775-K779 PolarHBondContact O-N 3.33Å; A776-K779 PolarHBondContact O-N 3.42Å; K779-V781 VanDerWaalsContact C-N 3.28Å; K779-V781 PolarHBondContact O-N 3.14Å; K779-Q782 WeakPolarHBondContact O-CB 3.43Å; K779-Q782 PolarHBondContact O-N 3.41Å
780A89.8Confident83.4Confident33 Ų3375.1 Ų75.127%0.27341%0.408SS..Hα-helixtrans-64.6-30-17900000113.6H751 L752 A776 L777 A778H751-A780 WeakPolarHBondContact CB-O 3.34Å; L752-A780 HydrophobicContact CD2-CB 3.83Å; A776-A780 WeakPolarHBondContact O-CB 3.33Å; A776-A780 PolarHBondContact O-N 2.94Å; L777-A780 PolarHBondContact O-N 3.46Å; A778-A780 VanDerWaalsContact C-N 3.32Å; A778-A780 PolarHBondContact O-N 3.25Å
781V93.1Very high86.3Confident3 Ų368 Ų682%0.01837%0.37CS..Hα-helixtrans-93.5-4.1177.3-58.90000113.4V554 V556 A748 L752 A778 K779 I783V554-V781 HydrophobicContact CG1-CB 4.32Å; V554-V781 WeakPolarHBondContact CG1-O 3.29Å; V556-V781 HydrophobicContact CG1-CG1 3.9Å; V556-V781 HydrophobicContact CG1-CG2 4Å; A748-V781 HydrophobicContact CB-CB 4.16Å; A748-V781 HydrophobicContact CB-CG1 3.83Å; L752-V781 HydrophobicContact CD1-CG1 4.05Å; L752-V781 HydrophobicContact CD2-CG1 3.83Å; L752-V781 HydrophobicContact CG-CG1 3.71Å; A778-V781 VanDerWaalsContact O-CG2 3.26Å; A778-V781 WeakPolarHBondContact O-CG2 3.36Å; A778-V781 PolarHBondContact O-N 3.35Å; K779-V781 VanDerWaalsContact C-N 3.28Å; K779-V781 PolarHBondContact O-N 3.14Å; V781-I783 PolarHBondContact O-N 3.44Å
782Q93.3Very high88.7Confident122 Ų12265.1 Ų65.157%0.5734%0.336SS*.PPolyproline II helixtrans-70.8124.3178.7-169.9173.211.400110.2T463 A778 K779T463-Q782 VanDerWaalsContact CB-O 3.3Å; T463-Q782 WeakPolarHBondContact CB-O 3.43Å; T463-Q782 WeakPolarHBondContact CG2-O 3.09Å; A778-Q782 PolarHBondContact O-N 3.08Å; K779-Q782 WeakPolarHBondContact O-CB 3.43Å; K779-Q782 PolarHBondContact O-N 3.41Å
783I94.9Very high90.6Very high17 Ų1760.2 Ų60.29%0.08732%0.318CS..PPolyproline II helixtrans-82142.6-178.3-57.9-55.9000109.9D462 T463 V781 T787 Q788 Y792D462-I783 HydrophobicContact CB-CD1 4.4Å; D462-I783 WeakPolarHBondContact O-CG2 3.45Å; T463-I783 HydrophobicContact CG2-CD1 4.18Å; V781-I783 PolarHBondContact O-N 3.44Å; I783-T787 HydrophobicContact CG2-CG2 3.38Å; I783-Q788 HydrophobicContact CB-CG 4.49Å; I783-Q788 HydrophobicContact CG2-CG 4.46Å; I783-Y792 HydrophobicContact CD1-CD2 4.39Å; I783-Y792 HydrophobicContact CD1-CE1 4.25Å; I783-Y792 HydrophobicContact CD1-CE2 3.56Å; I783-Y792 VanDerWaalsContact CD1-CZ 3.5Å; I783-Y792 WeakPolarHBondContact CD1-OH 2.93Å; I783-Y792 HydrophobicContact CG1-CE1 4.08Å; I783-Y792 HydrophobicContact CG1-CE2 4.29Å; I783-Y792 WeakPolarHBondContact CG1-OH 3.26Å; I783-Y792 HydrophobicContact CG2-CE1 4.39Å
784H97.1Very high91.5Very high36 Ų3656 Ų5617%0.16730%0.295CS..PPolyproline II helixtrans-59147.2176.2-171.9-92000110.9D462 T463 L464 G466 D786 T787 Q788D462-H784 PolarHBondContact O-N 3.34Å; T463-H784 WeakPolarHBondContact O-CB 3.26Å; L464-H784 PolarHBondContact O-CD2 2.94Å; L464-H784 VanDerWaalsContact O-CD2 3.25Å; G466-H784 WeakPolarHBondContact CA-ND1 3.49Å; H784-D786 VanDerWaalsContact C-N 3.34Å; H784-D786 IonicContact CE1-OD2 2.67Å; H784-D786 PolarHBondContact CE1-OD2 3.21Å; H784-D786 PolarHBondContact ND1-N 3.49Å; H784-D786 IonicContact ND1-OD2 3.01Å; H784-D786 PolarHBondContact O-N 3.06Å; H784-T787 WeakPolarHBondContact O-CA 3.41Å; H784-T787 WeakPolarHBondContact O-CB 3.49Å; H784-T787 PolarHBondContact O-N 2.88Å; H784-Q788 PolarHBondContact O-N 3.4Å; H784-Q788 VanDerWaalsContact O-N 3.1Å
785H94.3Very high92.2Very high119 Ų11954.6 Ų54.655%0.55128%0.282SS*.Hα-helixtrans-53.5-46.5-175.979.4-79.9000113T787 Q788H785-T787 PolarHBondContact O-N 3.33Å; H785-T787 VanDerWaalsContact O-N 3.09Å; H785-Q788 WeakPolarHBondContact O-CB 3.27Å; H785-Q788 PolarHBondContact O-N 3.44Å
786D93.7Very high92.7Very high79 Ų7949.7 Ų49.742%0.42226%0.261SS..Hα-helixtrans-59.8-20.2175.2-66.1-36.1000114.5K434 H784 T790K434-D786 IonicContact NZ-OD2 3.07Å; H784-D786 VanDerWaalsContact C-N 3.34Å; H784-D786 IonicContact CE1-OD2 2.67Å; H784-D786 PolarHBondContact CE1-OD2 3.21Å; H784-D786 PolarHBondContact ND1-N 3.49Å; H784-D786 IonicContact ND1-OD2 3.01Å; H784-D786 PolarHBondContact O-N 3.06Å; D786-T790 WeakPolarHBondContact O-CG2 3.21Å
787T95.3Very high93.1Very high6 Ų649.6 Ų49.64%0.03725%0.252CS..Hα-helixtrans-99.8-18.1-177.4-58.70000112.7D462 G466 I783 H784 H785 H789 T790 Y792D462-T787 HydrophobicContact CB-CG2 4.4Å; G466-T787 WeakPolarHBondContact CA-OG1 3.27Å; I783-T787 HydrophobicContact CG2-CG2 3.38Å; H784-T787 WeakPolarHBondContact O-CA 3.41Å; H784-T787 WeakPolarHBondContact O-CB 3.49Å; H784-T787 PolarHBondContact O-N 2.88Å; H785-T787 PolarHBondContact O-N 3.33Å; H785-T787 VanDerWaalsContact O-N 3.09Å; T787-H789 PolarHBondContact O-N 3.13Å; T787-H789 VanDerWaalsContact O-N 3.08Å; T787-T790 WeakPolarHBondContact CG2-OG1 3.35Å; T787-T790 PolarHBondContact O-N 3.08Å; T787-T790 PolarHBondContact O-OG1 2.6Å; T787-Y792 HydrophobicContact CG2-CD1 3.83Å; T787-Y792 HydrophobicContact CG2-CD2 4.39Å; T787-Y792 HydrophobicContact CG2-CG 3.67Å
788Q90.8Very high93.5Very high82 Ų8250.9 Ų50.938%0.38326%0.258SS..Hα-helixtrans-56-30.2-178.4-73.1178.5-8.500113.3I783 H784 H785I783-Q788 HydrophobicContact CB-CG 4.49Å; I783-Q788 HydrophobicContact CG2-CG 4.46Å; H784-Q788 PolarHBondContact O-N 3.4Å; H784-Q788 VanDerWaalsContact O-N 3.1Å; H785-Q788 WeakPolarHBondContact O-CB 3.27Å; H785-Q788 PolarHBondContact O-N 3.44Å
789H90.6Very high93.9Very high103 Ų10351.3 Ų51.348%0.47725%0.251SS..THydrogen-bonded Turntrans-102.417.5-176.8-52.1-41.8000113.6Q587 T787Q587-H789 VanDerWaalsContact CD-CE1 3.47Å; Q587-H789 PolarHBondContact NE2-ND1 3.35Å; Q587-H789 PolarHBondContact OE1-CE1 3.25Å; Q587-H789 PolarHBondContact OE1-ND1 3.1Å; T787-H789 PolarHBondContact O-N 3.13Å; T787-H789 VanDerWaalsContact O-N 3.08Å
790T95Very high94.2Very high40 Ų4044.2 Ų44.225%0.24522%0.222CC..SBendtrans-117.5157.7-175.373.70000111.9D786 T787 Y792D786-T790 WeakPolarHBondContact O-CG2 3.21Å; T787-T790 WeakPolarHBondContact CG2-OG1 3.35Å; T787-T790 PolarHBondContact O-N 3.08Å; T787-T790 PolarHBondContact O-OG1 2.6Å; T790-Y792 PolarHBondContact O-N 3.29Å; T790-Y792 VanDerWaalsContact O-N 3.11Å; T790-Y792 PolarHBondContact OG1-N 3.48Å
791M97.8Very high94.5Very high9 Ų945 Ų454%0.04422%0.218CC..  trans-84.649.7169.5-64.5-177.176.500111.6Y550 V726 Y740 F793 A794Y550-M791 HydrophobicContact CD2-CE 4.45Å; Y550-M791 WeakPolarHBondContact O-CG 3.45Å; V726-M791 HydrophobicContact CG1-CE 4.47Å; V726-M791 HydrophobicContact CG2-CE 3.97Å; Y740-M791 HydrophobicContact CD2-CE 4.36Å; Y740-M791 HydrophobicContact CE1-CE 4.03Å; Y740-M791 HydrophobicContact CE2-CE 3.87Å; M791-F793 HydrophobicContact CB-CE1 4.38Å; M791-F793 HydrophobicContact CB-CE2 4.37Å; M791-F793 HydrophobicContact CB-CZ 4.07Å; M791-F793 HydrophobicContact CE-CE2 3.97Å; M791-F793 HydrophobicContact CE-CZ 4.15Å; M791-F793 HydrophobicContact CG-CZ 3.97Å; M791-F793 PolarHBondContact O-N 2.86Å; M791-A794 HydrophobicContact CB-CB 4.26Å; M791-A794 WeakPolarHBondContact O-CB 3.49Å; M791-A794 PolarHBondContact O-N 3.04Å
792Y97.9Very high94.6Very high12 Ų1248.2 Ų48.25%0.04723%0.234CC..THydrogen-bonded Turntrans-55.2-28.5-17871.7-81000113.4D462 A552 R747 I783 T787 T790 A794D462-Y792 HydrophobicContact CB-CD2 3.93Å; D462-Y792 HydrophobicContact CB-CE2 4.41Å; A552-Y792 HydrophobicContact CB-CE1 4.25Å; R747-Y792 HydrophobicContact CB-CE2 4.42Å; R747-Y792 HydrophobicContact CG-CD2 4.12Å; R747-Y792 HydrophobicContact CG-CE2 3.68Å; R747-Y792 VanDerWaalsContact CZ-O 3.31Å; R747-Y792 PolarHBondContact NH1-O 2.83Å; R747-Y792 PolarHBondContact NH2-O 3.4Å; I783-Y792 HydrophobicContact CD1-CD2 4.39Å; I783-Y792 HydrophobicContact CD1-CE1 4.25Å; I783-Y792 HydrophobicContact CD1-CE2 3.56Å; I783-Y792 VanDerWaalsContact CD1-CZ 3.5Å; I783-Y792 WeakPolarHBondContact CD1-OH 2.93Å; I783-Y792 HydrophobicContact CG1-CE1 4.08Å; I783-Y792 HydrophobicContact CG1-CE2 4.29Å; I783-Y792 WeakPolarHBondContact CG1-OH 3.26Å; I783-Y792 HydrophobicContact CG2-CE1 4.39Å; T787-Y792 HydrophobicContact CG2-CD1 3.83Å; T787-Y792 HydrophobicContact CG2-CD2 4.39Å; T787-Y792 HydrophobicContact CG2-CG 3.67Å; T790-Y792 PolarHBondContact O-N 3.29Å; T790-Y792 VanDerWaalsContact O-N 3.11Å; T790-Y792 PolarHBondContact OG1-N 3.48Å; Y792-A794 PolarHBondContact O-N 3.13Å
793F97.3Very high94.7Very high2 Ų242.1 Ų42.11%0.00921%0.206CC..THydrogen-bonded Turntrans-70-13.9177.652.4-94.6000114A552 Y740 L743 V744 R747 M791A552-F793 HydrophobicContact CB-CD1 3.94Å; A552-F793 HydrophobicContact CB-CE1 3.68Å; Y740-F793 HydrophobicContact CD1-CD2 4.26Å; Y740-F793 AromaticContact CD1-CE2 3.77Å; Y740-F793 HydrophobicContact CD1-CE2 3.77Å; Y740-F793 HydrophobicContact CD2-CE2 4.42Å; Y740-F793 HydrophobicContact CG-CD2 4.48Å; Y740-F793 AromaticContact CG-CE2 3.72Å; Y740-F793 HydrophobicContact CG-CE2 3.72Å; L743-F793 HydrophobicContact CB-CB 4.27Å; L743-F793 HydrophobicContact CB-CD2 4.41Å; V744-F793 HydrophobicContact CG2-CB 3.78Å; V744-F793 HydrophobicContact CG2-CD1 3.44Å; V744-F793 VanDerWaalsContact CG2-CD1 3.44Å; V744-F793 HydrophobicContact CG2-CD2 4.15Å; V744-F793 HydrophobicContact CG2-CE1 4.02Å; V744-F793 HydrophobicContact CG2-CG 3.51Å; R747-F793 PolarHBondContact NH2-O 2.94Å; M791-F793 HydrophobicContact CB-CE1 4.38Å; M791-F793 HydrophobicContact CB-CE2 4.37Å; M791-F793 HydrophobicContact CB-CZ 4.07Å; M791-F793 HydrophobicContact CE-CE2 3.97Å; M791-F793 HydrophobicContact CE-CZ 4.15Å; M791-F793 HydrophobicContact CG-CZ 3.97Å; M791-F793 PolarHBondContact O-N 2.86Å
794A92.3Very high94.7Very high0 Ų044.4 Ų44.40%022%0.217CC..  trans-64.60-175.800000115.8K491 A494 K495 V726 R727 M791 Y792K491-A794 PolarHBondContact NZ-O 3.12Å; K491-A794 PolarHBondContact NZ-OXT 3.38Å; A494-A794 HydrophobicContact CB-CB 4.45Å; K495-A794 WeakPolarHBondContact CE-O 3.24Å; K495-A794 HydrophobicContact CG-CB 4.36Å; K495-A794 PolarHBondContact NZ-O 2.88Å; V726-A794 HydrophobicContact CG2-CB 4.46Å; R727-A794 WeakPolarHBondContact CD-OXT 3.4Å; R727-A794 VanDerWaalsContact CG-OXT 3.27Å; R727-A794 WeakPolarHBondContact CG-OXT 3.41Å; R727-A794 PolarHBondContact NE-OXT 3.44Å; M791-A794 HydrophobicContact CB-CB 4.26Å; M791-A794 WeakPolarHBondContact O-CB 3.49Å; M791-A794 PolarHBondContact O-N 3.04Å; Y792-A794 PolarHBondContact O-N 3.13Å

Retrieved 794 of 794 residues in 247.3 ms (Link to these results)

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