A0A096MYH8_PAPAN Loading...

Cyclin-dependent kinase 2

AlphaFold DB (G7N7A7), UniProt , Accession A0A096MYH8, Species PAPAN (Papio anubis, Olive baboon), Gene CDK2, Length 298 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M70.9Confident86.5Confident86 Ų8684.1 Ų84.142%0.42442%0.422SS..  0-25.60-86.8-83.2-83.300112.4N3 F4 K6 Y77M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 2.85Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-K6 HydrophobicContact CE-CD 4.49Å; M1-Y77 HydrophobicContact CG-CD2 4.43Å; M1-Y77 HydrophobicContact CG-CE2 4.09Å; M1-Y77 HydrophobicContact SD-CE1 4.29Å; M1-Y77 HydrophobicContact SD-CE2 4.25Å
2E76.4Confident86.2Confident167 Ų16785.7 Ų85.778%0.7843%0.427SS*.THydrogen-bonded Turntrans-57-36.9179.8-64.7179.8166.700113.5F4 K24E2-F4 VanDerWaalsContact C-N 3.33Å; E2-F4 PolarHBondContact O-N 3.06Å; E2-K24 WeakPolarHBondContact O-CD 3.48Å; E2-K24 WeakPolarHBondContact O-CE 3.47Å; E2-K24 PolarHBondContact O-NZ 3.41Å
3N85.5Confident85.1Confident79 Ų7982.2 Ų82.242%0.42243%0.425SS..THydrogen-bonded Turntrans-80.3-2.1-179-62.6-18.6000115.1M1 K24 L25M1-N3 VanDerWaalsContact C-N 3.25Å; M1-N3 PolarHBondContact O-N 2.85Å; N3-K24 PolarHBondContact O-N 3.24Å; N3-L25 HydrophobicContact CB-CD1 4.38Å
4F89.3Confident83.8Confident22 Ų2279.6 Ų79.610%0.09642%0.416CS..EExtended strand (participates in β ladder)trans-125.6132-177.7-63-84.6000111.6M1 E2 R22 N23 V30 L32 I70 V79M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.16Å; E2-F4 VanDerWaalsContact C-N 3.33Å; E2-F4 PolarHBondContact O-N 3.06Å; F4-R22 WeakPolarHBondContact CA-O 3.43Å; F4-N23 HydrophobicContact CD1-CB 4.13Å; F4-N23 HydrophobicContact CE1-CB 3.88Å; F4-V30 HydrophobicContact CD1-CG2 3.75Å; F4-V30 HydrophobicContact CE1-CG2 3.81Å; F4-L32 HydrophobicContact CB-CD1 3.93Å; F4-L32 HydrophobicContact CD1-CD2 4.41Å; F4-L32 HydrophobicContact CG-CD1 4.34Å; F4-L32 HydrophobicContact CG-CD2 4.39Å; F4-I70 HydrophobicContact CD2-CD1 3.66Å; F4-I70 HydrophobicContact CE2-CD1 3.53Å; F4-V79 HydrophobicContact CE1-CG1 3.87Å; F4-V79 HydrophobicContact CE2-CG2 4.33Å; F4-V79 HydrophobicContact CZ-CG1 3.92Å; F4-V79 HydrophobicContact CZ-CG2 4.14Å
5Q91.1Very high83Confident115 Ų11578.7 Ų78.754%0.53741%0.405SS..EExtended strand (participates in β ladder)trans-101.6114.2171.8-176.3179.58.100109.1V7 A21 R22 K24Q5-V7 PolarHBondContact O-N 3.4Å; Q5-A21 CarbonylContact O-C 3.48Å; Q5-A21 WeakPolarHBondContact O-CA 3.45Å; Q5-A21 WeakPolarHBondContact O-CB 3.02Å; Q5-R22 PolarHBondContact N-O 3.09Å; Q5-R22 PolarHBondContact O-N 3.36Å; Q5-K24 HydrophobicContact CB-CG 4.32Å
6K89.1Confident82.9Confident74 Ų7473.8 Ų73.832%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-66.6133.2173.3-69.4-178.2178176.30109.5M1 Y19 L32M1-K6 HydrophobicContact CE-CD 4.49Å; K6-Y19 HydrophobicContact CD-CD1 4.29Å; K6-Y19 HydrophobicContact CD-CG 4.24Å; K6-L32 HydrophobicContact CG-CD1 4.38Å
7V91.1Very high83.2Confident86 Ų8670.5 Ų70.552%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-101.6-60.7179.5179.90000109.1Q5 K20Q5-V7 PolarHBondContact O-N 3.4Å; V7-K20 WeakPolarHBondContact CB-O 3.39Å; V7-K20 PolarHBondContact N-O 2.74Å
8E92.8Very high83.7Confident94 Ų9468.3 Ų68.344%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-152.2157-17558.8-178.9147.100111.1I10 Y19 K20E8-I10 HydrophobicContact CG-CG2 3.79Å; E8-Y19 CarbonylContact O-C 3.49Å; E8-Y19 VanDerWaalsContact O-CA 3.24Å; E8-Y19 WeakPolarHBondContact O-CA 3.17Å; E8-K20 HydrophobicContact CG-CB 3.83Å; E8-K20 HydrophobicContact CG-CD 4.05Å; E8-K20 PolarHBondContact N-O 2.91Å; E8-K20 PolarHBondContact O-N 3.31Å; E8-K20 WeakPolarHBondContact OE1-CD 3.45Å; E8-K20 IonicContact OE1-NZ 2.96Å; E8-K20 PolarHBondContact OE1-NZ 2.8Å
9K92.8Very high84.2Confident111 Ų11167.5 Ų67.548%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-83.3121.4170178.1-178.5170.8-174.90108.1E12 V17 Y19K9-E12 WeakPolarHBondContact CE-OE2 3.37Å; K9-E12 IonicContact NZ-OE2 3.57Å; K9-E12 PolarHBondContact NZ-OE2 3.41Å; K9-V17 HydrophobicContact CD-CG1 3.85Å; K9-V17 HydrophobicContact CG-CG1 3.8Å; K9-Y19 HydrophobicContact CB-CD1 3.98Å; K9-Y19 HydrophobicContact CB-CE1 3.97Å; K9-Y19 HydrophobicContact CG-CE1 4.33Å
10I88.8Confident84.7Confident63 Ų6366.9 Ų66.932%0.32334%0.341SS..EExtended strand (participates in β ladder)trans-109-14.1-175.960.6176.5000113.6E8 V18 K20 F82E8-I10 HydrophobicContact CG-CG2 3.79Å; I10-V18 HydrophobicContact CD1-CG1 3.82Å; I10-V18 HydrophobicContact CG1-CB 4.09Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 PolarHBondContact N-O 3.41Å; I10-K20 HydrophobicContact CD1-CB 4.28Å; I10-K20 HydrophobicContact CG2-CB 3.71Å; I10-F82 HydrophobicContact CD1-CD2 4.35Å; I10-F82 HydrophobicContact CD1-CE2 3.89Å
11G83.8Confident85.2Confident28 Ų2863.7 Ų63.729%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-167.8158.2178.400000112.9V18G11-V18 PolarHBondContact N-O 2.92Å; G11-V18 PolarHBondContact O-N 2.75Å
12E82.8Confident86.4Confident103 Ų10365.3 Ų65.348%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-144.1131.8170.2176164.7-150.300108K9 V17 R36K9-E12 WeakPolarHBondContact CE-OE2 3.37Å; K9-E12 IonicContact NZ-OE2 3.57Å; K9-E12 PolarHBondContact NZ-OE2 3.41Å; E12-V17 HydrophobicContact CB-CG2 4.49Å; E12-V17 HydrophobicContact CG-CG2 4.09Å; E12-R36 IonicContact OE1-CZ 3.68Å; E12-R36 IonicContact OE1-NH2 3.48Å; E12-R36 PolarHBondContact OE1-NH2 2.85Å
13G71.6Confident87.2Confident40 Ų4058.5 Ų58.541%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-141.9-173.2177.100000110.8Y15 G16G13-Y15 PolarHBondContact O-N 3.36Å; G13-G16 PolarHBondContact N-O 3.04Å; G13-G16 PolarHBondContact O-N 3.44Å; G13-G16 VanDerWaalsContact O-O 3.13Å
14T67.2Low87.5Confident47 Ų4760.8 Ų60.829%0.28830%0.301SS..THydrogen-bonded Turntrans-56.2-38-174.9-52.90000112.6E162T14-E162 PolarHBondContact OG1-OE1 3.09Å
15Y72Confident87.5Confident65 Ų6566 Ų6626%0.25533%0.33SS..THydrogen-bonded Turntrans-86.6-4.4-177.7-52.3-69.2000114.3G13 I35 R36 A149G13-Y15 PolarHBondContact O-N 3.36Å; Y15-I35 WeakPolarHBondContact O-CA 3.43Å; Y15-R36 PolarHBondContact O-N 3.09Å; Y15-A149 HydrophobicContact CE1-CB 4.29Å
16G81.1Confident87.6Confident1 Ų164.3 Ų64.31%0.0133%0.327CS..EExtended strand (participates in β ladder)trans134.7-154.917400000114.7G13 K34G13-G16 PolarHBondContact N-O 3.04Å; G13-G16 PolarHBondContact O-N 3.44Å; G13-G16 VanDerWaalsContact O-O 3.13Å; G16-K34 WeakPolarHBondContact CA-O 3.44Å
17V88.4Confident87.7Confident17 Ų1762.3 Ų62.310%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-114.8131.8-166.3-174.60000110.3K9 E12 Y19 K33 K34K9-V17 HydrophobicContact CD-CG1 3.85Å; K9-V17 HydrophobicContact CG-CG1 3.8Å; E12-V17 HydrophobicContact CB-CG2 4.49Å; E12-V17 HydrophobicContact CG-CG2 4.09Å; V17-Y19 HydrophobicContact CB-CE2 3.86Å; V17-Y19 HydrophobicContact CG1-CD2 4.21Å; V17-Y19 HydrophobicContact CG1-CE1 4.11Å; V17-Y19 HydrophobicContact CG1-CE2 3.54Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.47Å; V17-K33 CarbonylContact O-C 3.5Å; V17-K34 PolarHBondContact N-O 3.16Å; V17-K34 PolarHBondContact O-N 3.05Å
18V91.5Very high87.8Confident32 Ų3263.8 Ų63.819%0.19433%0.329CS..EExtended strand (participates in β ladder)trans-103.2128.2178.3-168.70000109.7I10 G11 A31 L32 K33I10-V18 HydrophobicContact CD1-CG1 3.82Å; I10-V18 HydrophobicContact CG1-CB 4.09Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 PolarHBondContact N-O 3.41Å; G11-V18 PolarHBondContact N-O 2.92Å; G11-V18 PolarHBondContact O-N 2.75Å; V18-A31 HydrophobicContact CG1-CB 4.21Å; V18-L32 WeakPolarHBondContact CA-O 3.42Å; V18-K33 HydrophobicContact CG2-CB 4.26Å; V18-K33 HydrophobicContact CG2-CD 4.16Å; V18-K33 HydrophobicContact CG2-CG 3.99Å
19Y93.9Very high87.9Confident52 Ų5261.8 Ų61.820%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-116.2138.8175.6-58.9-89.5000110K6 E8 K9 V17 A31 L32 K34K6-Y19 HydrophobicContact CD-CD1 4.29Å; K6-Y19 HydrophobicContact CD-CG 4.24Å; E8-Y19 CarbonylContact O-C 3.49Å; E8-Y19 VanDerWaalsContact O-CA 3.24Å; E8-Y19 WeakPolarHBondContact O-CA 3.17Å; K9-Y19 HydrophobicContact CB-CD1 3.98Å; K9-Y19 HydrophobicContact CB-CE1 3.97Å; K9-Y19 HydrophobicContact CG-CE1 4.33Å; V17-Y19 HydrophobicContact CB-CE2 3.86Å; V17-Y19 HydrophobicContact CG1-CD2 4.21Å; V17-Y19 HydrophobicContact CG1-CE1 4.11Å; V17-Y19 HydrophobicContact CG1-CE2 3.54Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.47Å; Y19-A31 CarbonylContact O-C 3.59Å; Y19-L32 PolarHBondContact N-O 2.74Å; Y19-L32 PolarHBondContact O-N 2.82Å; Y19-K34 HydrophobicContact CE2-CB 4.22Å
20K94.6Very high88Confident55 Ų5556.6 Ų56.624%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-73.9133.6159.3-175.9-178.4-176.8178.40107.9V7 E8 I10 V29 F82V7-K20 WeakPolarHBondContact CB-O 3.39Å; V7-K20 PolarHBondContact N-O 2.74Å; E8-K20 HydrophobicContact CG-CB 3.83Å; E8-K20 HydrophobicContact CG-CD 4.05Å; E8-K20 PolarHBondContact N-O 2.91Å; E8-K20 PolarHBondContact O-N 3.31Å; E8-K20 WeakPolarHBondContact OE1-CD 3.45Å; E8-K20 IonicContact OE1-NZ 2.96Å; E8-K20 PolarHBondContact OE1-NZ 2.8Å; I10-K20 HydrophobicContact CD1-CB 4.28Å; I10-K20 HydrophobicContact CG2-CB 3.71Å; K20-V29 HydrophobicContact CD-CG1 4.31Å; K20-V29 HydrophobicContact CG-CG1 3.73Å; K20-F82 HydrophobicContact CB-CE2 4.19Å; K20-F82 HydrophobicContact CD-CE2 3.94Å; K20-F82 HydrophobicContact CD-CZ 4.01Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.82Å; K20-F82 HydrophobicContact CG-CZ 4.35Å
21A95.3Very high88.3Confident0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-139.7162.3178.400000110.8Q5 V29 V30 L32Q5-A21 CarbonylContact O-C 3.48Å; Q5-A21 WeakPolarHBondContact O-CA 3.45Å; Q5-A21 WeakPolarHBondContact O-CB 3.02Å; A21-V29 WeakPolarHBondContact O-CA 3.33Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 3.16Å; A21-V30 PolarHBondContact O-N 3.38Å; A21-L32 HydrophobicContact CB-CD1 3.37Å; A21-L32 HydrophobicContact CB-CG 3.7Å
22R95.4Very high88.7Confident120 Ų12052.9 Ų52.945%0.45328%0.277SS..EExtended strand (participates in β ladder)trans-110.5129.6171.5-169.6176.5-67.1-89.45.7109.3F4 Q5 K24 G27 E28F4-R22 WeakPolarHBondContact CA-O 3.43Å; Q5-R22 PolarHBondContact N-O 3.09Å; Q5-R22 PolarHBondContact O-N 3.36Å; R22-K24 PolarHBondContact O-N 2.83Å; R22-G27 WeakPolarHBondContact CG-O 3.4Å; R22-G27 PolarHBondContact NH1-O 2.7Å; R22-E28 CarbonylContact C-O 3.58Å; R22-E28 WeakPolarHBondContact CA-O 3.34Å
23N92.8Very high89.1Confident24 Ų2448.3 Ų48.313%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-69.1121.1167.2-175.2-27.5000108.2F4 L25 T26 G27 E28F4-N23 HydrophobicContact CD1-CB 4.13Å; F4-N23 HydrophobicContact CE1-CB 3.88Å; N23-L25 VanDerWaalsContact C-N 3.26Å; N23-L25 PolarHBondContact O-N 2.8Å; N23-L25 WeakPolarHBondContact OD1-CB 3.41Å; N23-L25 PolarHBondContact OD1-N 2.86Å; N23-T26 WeakPolarHBondContact CB-OG1 3.42Å; N23-T26 PolarHBondContact ND2-OG1 3Å; N23-T26 PolarHBondContact OD1-N 2.84Å; N23-G27 WeakPolarHBondContact O-CA 3.37Å; N23-G27 PolarHBondContact O-N 3.37Å; N23-E28 PolarHBondContact N-O 3.26Å
24K92.1Very high90Very high127 Ų12750 Ų5055%0.55225%0.251SS*.THydrogen-bonded Turntrans-71.2-22.5-176.8-64-177-172.3167.10113E2 N3 Q5 R22E2-K24 WeakPolarHBondContact O-CD 3.48Å; E2-K24 WeakPolarHBondContact O-CE 3.47Å; E2-K24 PolarHBondContact O-NZ 3.41Å; N3-K24 PolarHBondContact O-N 3.24Å; Q5-K24 HydrophobicContact CB-CG 4.32Å; R22-K24 PolarHBondContact O-N 2.83Å
25L90.1Very high90.8Very high132 Ų13248 Ų4869%0.69124%0.239SC*.THydrogen-bonded Turntrans-84.9-47.6-179.4-59.6174.7000111.3N3 N23N3-L25 HydrophobicContact CB-CD1 4.38Å; N23-L25 VanDerWaalsContact C-N 3.26Å; N23-L25 PolarHBondContact O-N 2.8Å; N23-L25 WeakPolarHBondContact OD1-CB 3.41Å; N23-L25 PolarHBondContact OD1-N 2.86Å
26T91.8Very high91Very high79 Ų7951.9 Ų51.949%0.48525%0.253SS..THydrogen-bonded Turntrans-94.6-16.5-176650000113.3N23 E28N23-T26 WeakPolarHBondContact CB-OG1 3.42Å; N23-T26 PolarHBondContact ND2-OG1 3Å; N23-T26 PolarHBondContact OD1-N 2.84Å; T26-E28 PolarHBondContact O-N 3.27Å; T26-E28 WeakPolarHBondContact OG1-CB 3.48Å; T26-E28 WeakPolarHBondContact OG1-CG 3.27Å; T26-E28 PolarHBondContact OG1-N 3.39Å; T26-E28 PolarHBondContact OG1-OE2 3.26Å; T26-E28 VanDerWaalsContact OG1-OE2 3.06Å
27G91.3Very high90.6Very high33 Ų3354 Ų5434%0.3426%0.264SS..  trans74.5-4.1-171.100000113.9R22 N23R22-G27 WeakPolarHBondContact CG-O 3.4Å; R22-G27 PolarHBondContact NH1-O 2.7Å; N23-G27 WeakPolarHBondContact O-CA 3.37Å; N23-G27 PolarHBondContact O-N 3.37Å
28E93.2Very high89.6Confident117 Ų11759.1 Ų59.155%0.54729%0.291SS..  trans-69.7146.8-175.9-66.7172.1148.600112.5R22 N23 T26R22-E28 CarbonylContact C-O 3.58Å; R22-E28 WeakPolarHBondContact CA-O 3.34Å; N23-E28 PolarHBondContact N-O 3.26Å; T26-E28 PolarHBondContact O-N 3.27Å; T26-E28 WeakPolarHBondContact OG1-CB 3.48Å; T26-E28 WeakPolarHBondContact OG1-CG 3.27Å; T26-E28 PolarHBondContact OG1-N 3.39Å; T26-E28 PolarHBondContact OG1-OE2 3.26Å; T26-E28 VanDerWaalsContact OG1-OE2 3.06Å
29V95Very high87.9Confident51 Ų5164.6 Ų64.631%0.30932%0.324SS..EExtended strand (participates in β ladder)trans-86.8131.7174.2-176.30000109.2K20 A21 F82K20-V29 HydrophobicContact CD-CG1 4.31Å; K20-V29 HydrophobicContact CG-CG1 3.73Å; A21-V29 WeakPolarHBondContact O-CA 3.33Å; V29-F82 HydrophobicContact CB-CB 4.46Å; V29-F82 HydrophobicContact CG1-CB 3.99Å; V29-F82 HydrophobicContact CG1-CD1 3.91Å; V29-F82 HydrophobicContact CG1-CD2 4.17Å; V29-F82 HydrophobicContact CG1-CE1 4.47Å; V29-F82 HydrophobicContact CG1-CG 3.74Å; V29-F82 WeakPolarHBondContact O-CB 3.47Å
30V95.5Very high86Confident3 Ų371.2 Ų71.22%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-132.1160.4-177.3-60.10000111.1F4 A21 L32 L67 V79 F80F4-V30 HydrophobicContact CD1-CG2 3.75Å; F4-V30 HydrophobicContact CE1-CG2 3.81Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 3.16Å; A21-V30 PolarHBondContact O-N 3.38Å; V30-L32 HydrophobicContact CG2-CD2 4.44Å; V30-L32 HydrophobicContact CG2-CG 4.34Å; V30-L67 HydrophobicContact CG1-CD1 3.93Å; V30-V79 HydrophobicContact CB-CG1 3.95Å; V30-V79 HydrophobicContact CG1-CG1 4.2Å; V30-V79 HydrophobicContact CG2-CG1 3.98Å; V30-F80 WeakPolarHBondContact CB-O 3.4Å
31A94.9Very high84.1Confident12 Ų1272.3 Ų72.310%0.09937%0.369CS..EExtended strand (participates in β ladder)trans-100.4118168.500000110.1V18 Y19 F80V18-A31 HydrophobicContact CG1-CB 4.21Å; Y19-A31 CarbonylContact O-C 3.59Å; A31-F80 HydrophobicContact CB-CB 4.3Å; A31-F80 PolarHBondContact N-O 3.46Å; A31-F80 PolarHBondContact O-N 3.42Å
32L93.1Very high82.4Confident0 Ų082.3 Ų82.30%042%0.415CS..EExtended strand (participates in β ladder)trans-98.5106.8175.1-69.2179.9000110.3F4 K6 V18 Y19 A21 V30 V79F4-L32 HydrophobicContact CB-CD1 3.93Å; F4-L32 HydrophobicContact CD1-CD2 4.41Å; F4-L32 HydrophobicContact CG-CD1 4.34Å; F4-L32 HydrophobicContact CG-CD2 4.39Å; K6-L32 HydrophobicContact CG-CD1 4.38Å; V18-L32 WeakPolarHBondContact CA-O 3.42Å; Y19-L32 PolarHBondContact N-O 2.74Å; Y19-L32 PolarHBondContact O-N 2.82Å; A21-L32 HydrophobicContact CB-CD1 3.37Å; A21-L32 HydrophobicContact CB-CG 3.7Å; V30-L32 HydrophobicContact CG2-CD2 4.44Å; V30-L32 HydrophobicContact CG2-CG 4.34Å; L32-V79 HydrophobicContact CD2-CB 4.09Å; L32-V79 HydrophobicContact CD2-CG1 3.93Å; L32-V79 HydrophobicContact CD2-CG2 3.57Å
33K90.6Very high80.9Confident8 Ų877.5 Ų77.54%0.03540%0.403CS..EExtended strand (participates in β ladder)trans-92.1105.2173.3-172.4165.2-178.6169.20109.9V17 V18 I35 Y77 L78 F80 D145 L148V17-K33 CarbonylContact O-C 3.5Å; V18-K33 HydrophobicContact CG2-CB 4.26Å; V18-K33 HydrophobicContact CG2-CD 4.16Å; V18-K33 HydrophobicContact CG2-CG 3.99Å; K33-I35 HydrophobicContact CD-CD1 4.45Å; K33-I35 HydrophobicContact CG-CD1 4.09Å; K33-I35 PolarHBondContact O-N 3.4Å; K33-Y77 WeakPolarHBondContact O-CA 3.14Å; K33-L78 HydrophobicContact CB-CB 4.4Å; K33-L78 PolarHBondContact N-O 3.5Å; K33-L78 PolarHBondContact O-N 3.44Å; K33-F80 HydrophobicContact CB-CD2 4.33Å; K33-F80 HydrophobicContact CB-CE2 4.06Å; K33-F80 HydrophobicContact CD-CE2 4.36Å; K33-D145 IonicContact NZ-OD1 2.7Å; K33-D145 PolarHBondContact NZ-OD1 3.14Å; K33-D145 IonicContact NZ-OD2 3.31Å; K33-D145 PolarHBondContact NZ-OD2 3.18Å; K33-L148 HydrophobicContact CD-CD1 4.12Å
34K89.3Confident79.6Confident74 Ų7477 Ų7732%0.32240%0.401SS..EExtended strand (participates in β ladder)trans-76114.5170.4-174.6-171.8174.1-163.70108.5G16 V17 Y19 Y77G16-K34 WeakPolarHBondContact CA-O 3.44Å; V17-K34 PolarHBondContact N-O 3.16Å; V17-K34 PolarHBondContact O-N 3.05Å; Y19-K34 HydrophobicContact CE2-CB 4.22Å; K34-Y77 HydrophobicContact CB-CD1 3.7Å; K34-Y77 HydrophobicContact CB-CE1 3.5Å; K34-Y77 HydrophobicContact CD-CE1 4.04Å; K34-Y77 HydrophobicContact CG-CD1 4.06Å; K34-Y77 HydrophobicContact CG-CE1 3.57Å
35I84.9Confident78.4Confident6 Ų673.5 Ų73.53%0.03139%0.391CS..EExtended strand (participates in β ladder)trans-74.3136.2177.5-54.8-60.2000109.6Y15 K33 L37 L76 L78 F152Y15-I35 WeakPolarHBondContact O-CA 3.43Å; K33-I35 HydrophobicContact CD-CD1 4.45Å; K33-I35 HydrophobicContact CG-CD1 4.09Å; K33-I35 PolarHBondContact O-N 3.4Å; I35-L37 HydrophobicContact CG2-CD2 4.17Å; I35-L76 HydrophobicContact CB-CB 4.23Å; I35-L76 HydrophobicContact CB-CD2 4.31Å; I35-L76 HydrophobicContact CB-CG 4.48Å; I35-L76 HydrophobicContact CG1-CB 4.42Å; I35-L76 HydrophobicContact CG1-CD2 4.04Å; I35-L76 HydrophobicContact CG1-CG 4.17Å; I35-L76 PolarHBondContact N-O 3.26Å; I35-L78 HydrophobicContact CD1-CD1 3.92Å; I35-L78 HydrophobicContact CD1-CG 4.14Å; I35-L78 HydrophobicContact CG1-CD1 4.36Å; I35-L78 HydrophobicContact CG1-CG 4.14Å; I35-F152 HydrophobicContact CB-CZ 4.19Å; I35-F152 HydrophobicContact CD1-CE2 3.92Å; I35-F152 HydrophobicContact CD1-CZ 4.02Å; I35-F152 HydrophobicContact CG1-CE2 4.13Å; I35-F152 HydrophobicContact CG1-CZ 3.72Å; I35-F152 HydrophobicContact CG2-CD1 4.22Å; I35-F152 HydrophobicContact CG2-CD2 4.26Å; I35-F152 HydrophobicContact CG2-CE1 3.79Å; I35-F152 HydrophobicContact CG2-CE2 3.83Å; I35-F152 HydrophobicContact CG2-CG 4.47Å; I35-F152 HydrophobicContact CG2-CZ 3.59Å
36R77.1Confident77.3Confident147 Ų14771.9 Ų71.956%0.55539%0.391SS*.  trans-77.6119.8166.6-77.3172.3-178-167.51.7108.1E12 Y15E12-R36 IonicContact OE1-CZ 3.68Å; E12-R36 IonicContact OE1-NH2 3.48Å; E12-R36 PolarHBondContact OE1-NH2 2.85Å; Y15-R36 PolarHBondContact O-N 3.09Å
37L72.8Confident76.1Confident46 Ų4672.4 Ų72.424%0.24139%0.394CS..  trans-104.5138174.6-61.1169.9000107.7I35 T39 V44 L76I35-L37 HydrophobicContact CG2-CD2 4.17Å; L37-T39 PolarHBondContact O-N 3.49Å; L37-V44 HydrophobicContact CD1-CG2 3.54Å; L37-V44 HydrophobicContact CD2-CG2 3.82Å; L37-V44 HydrophobicContact CG-CG2 4.34Å; L37-L76 HydrophobicContact CD1-CB 4.32Å
38D66Low75Confident124 Ų12470.9 Ų70.966%0.66338%0.378SS*.  trans-69.9126.5173.6-81.4-29.3000109.3E40 T41D38-E40 PolarHBondContact O-N 3.25Å; D38-E40 VanDerWaalsContact O-N 3.08Å; D38-T41 PolarHBondContact O-N 3.38Å; D38-T41 PolarHBondContact O-OG1 3.04Å
39T55.8Low74Confident146 Ų14668 Ų6890%0.89637%0.366SS*.THydrogen-bonded Turntrans-65.5-9.4-173.337.70000114.5L37L37-T39 PolarHBondContact O-N 3.49Å
40E55Low72.7Confident191 Ų19174.6 Ų74.689%0.89339%0.385SS*.THydrogen-bonded Turntrans-91.2-6.6179.9-61.3-163167.300113.9D38D38-E40 PolarHBondContact O-N 3.25Å; D38-E40 VanDerWaalsContact O-N 3.08Å
41T55.2Low71.4Confident79 Ų7977.1 Ų77.149%0.48540%0.397SS..SBendtrans-100.5140-18051.20000111.9D38 G43D38-T41 PolarHBondContact O-N 3.38Å; D38-T41 PolarHBondContact O-OG1 3.04Å; T41-G43 PolarHBondContact O-N 3.37Å
42E58Low70.5Confident209 Ų20976.6 Ų76.698%0.97739%0.392SS*.SBendtrans-66.370.8174.9-69.1-171.3157.900111.6
43G64.3Low69.3Low19 Ų1979.2 Ų79.220%0.19641%0.41CS..SBendtrans77-161.2179.300000114.1T41T41-G43 PolarHBondContact O-N 3.37Å
44V66.2Low68.2Low15 Ų1582.8 Ų82.89%0.09143%0.43CS..SBendtrans-84.1124.4-179-176.10000109.1L37 S46 A48 I49 L76L37-V44 HydrophobicContact CD1-CG2 3.54Å; L37-V44 HydrophobicContact CD2-CG2 3.82Å; L37-V44 HydrophobicContact CG-CG2 4.34Å; V44-S46 PolarHBondContact O-N 2.99Å; V44-A48 HydrophobicContact CG1-CB 4.06Å; V44-I49 HydrophobicContact CB-CD1 4.4Å; V44-I49 HydrophobicContact CB-CG1 4.41Å; V44-I49 HydrophobicContact CG1-CD1 4.3Å; V44-I49 HydrophobicContact CG1-CG1 3.78Å; V44-L76 HydrophobicContact CG1-CD2 4Å; V44-L76 HydrophobicContact CG2-CB 4Å; V44-L76 HydrophobicContact CG2-CD2 4.23Å
45P67.1Low67.4Low53 Ų5380.4 Ų80.434%0.34442%0.42SS..  trans-54.9135.3175.5-25.233.5000111.7T47 A48 I49P45-T47 WeakPolarHBondContact CB-OG1 3.47Å; P45-T47 PolarHBondContact O-N 3.43Å; P45-T47 VanDerWaalsContact O-N 3.16Å; P45-A48 HydrophobicContact CB-CB 4.37Å; P45-A48 WeakPolarHBondContact O-CA 3.36Å; P45-A48 VanDerWaalsContact O-CB 3.31Å; P45-A48 WeakPolarHBondContact O-CB 3.35Å; P45-A48 PolarHBondContact O-N 3.32Å; P45-I49 PolarHBondContact O-N 3.08Å
46S66.7Low67.1Low97 Ų9784.6 Ų84.668%0.67844%0.438SS*.Hα-helixtrans-59-29.2178.359.10000112.7V44 I49 R50V44-S46 PolarHBondContact O-N 2.99Å; S46-I49 PolarHBondContact O-N 3.39Å; S46-R50 PolarHBondContact O-N 3.14Å
47T65.6Low67.3Low91 Ų9184.6 Ų84.656%0.55844%0.444SS*.Hα-helixtrans-61.4-40.9171.450.20000112.1P45 R50 E51P45-T47 WeakPolarHBondContact CB-OG1 3.47Å; P45-T47 PolarHBondContact O-N 3.43Å; P45-T47 VanDerWaalsContact O-N 3.16Å; T47-R50 PolarHBondContact O-N 3.48Å; T47-E51 WeakPolarHBondContact O-CG 3.47Å; T47-E51 PolarHBondContact O-N 3.31Å
48A69.1Low67.8Low0 Ų082.9 Ų82.90%044%0.436CS..Hα-helixtrans-66.3-43.1176.900000111.9V44 P45 R50 E51 I52 A151 F152V44-A48 HydrophobicContact CG1-CB 4.06Å; P45-A48 HydrophobicContact CB-CB 4.37Å; P45-A48 WeakPolarHBondContact O-CA 3.36Å; P45-A48 VanDerWaalsContact O-CB 3.31Å; P45-A48 WeakPolarHBondContact O-CB 3.35Å; P45-A48 PolarHBondContact O-N 3.32Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.89Å; A48-E51 PolarHBondContact O-N 3.41Å; A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 VanDerWaalsContact O-CD1 3.26Å; A48-I52 WeakPolarHBondContact O-CD1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 2.72Å; A48-A151 WeakPolarHBondContact CA-O 3.15Å; A48-A151 WeakPolarHBondContact CB-O 3.35Å; A48-F152 HydrophobicContact CB-CD1 3.94Å; A48-F152 HydrophobicContact CB-CE1 4.2Å
49I71.3Confident69Low56 Ų5682.2 Ų82.229%0.28743%0.432SS..Hα-helixtrans-60.6-42.2175.5-58.8178.6000110.4V44 P45 S46 I52 S53V44-I49 HydrophobicContact CB-CD1 4.4Å; V44-I49 HydrophobicContact CB-CG1 4.41Å; V44-I49 HydrophobicContact CG1-CD1 4.3Å; V44-I49 HydrophobicContact CG1-CG1 3.78Å; P45-I49 PolarHBondContact O-N 3.08Å; S46-I49 PolarHBondContact O-N 3.39Å; I49-I52 PolarHBondContact O-N 2.84Å; I49-S53 WeakPolarHBondContact O-CB 3.32Å; I49-S53 PolarHBondContact O-N 3.47Å; I49-S53 PolarHBondContact O-OG 3.27Å
50R67.5Low70.9Confident191 Ų19176.9 Ų76.972%0.72140%0.397SS*.Hα-helixtrans-62.9-47176.2-173.3177.2-177.5174.11112.2S46 T47 A48 I52 S53 L54S46-R50 PolarHBondContact O-N 3.14Å; T47-R50 PolarHBondContact O-N 3.48Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.89Å; R50-I52 PolarHBondContact O-N 3.49Å; R50-S53 WeakPolarHBondContact O-CB 3.26Å; R50-S53 PolarHBondContact O-N 3.41Å; R50-S53 VanDerWaalsContact O-N 3.14Å; R50-L54 PolarHBondContact O-N 3.14Å; R50-L54 VanDerWaalsContact O-N 3.08Å
51E69Low72.9Confident56 Ų5671.9 Ų71.926%0.26238%0.381SS..Hα-helixtrans-65.1-37.8178.5-70.8-152.8170.900112.5T47 A48 S53 L54 L55 R150 A151T47-E51 WeakPolarHBondContact O-CG 3.47Å; T47-E51 PolarHBondContact O-N 3.31Å; A48-E51 PolarHBondContact O-N 3.41Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 3.18Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 2.92Å; E51-L55 PolarHBondContact O-N 3.21Å; E51-R150 IonicContact OE1-NE 3.39Å; E51-R150 PolarHBondContact OE1-NE 3.26Å; E51-R150 IonicContact OE1-NH2 3.82Å; E51-R150 WeakPolarHBondContact OE2-CG 3.32Å; E51-R150 IonicContact OE2-NE 3.61Å; E51-A151 HydrophobicContact CB-CB 3.53Å; E51-A151 WeakPolarHBondContact OE2-CA 3.46Å; E51-A151 PolarHBondContact OE2-N 3Å
52I75.4Confident74.9Confident0 Ų068.3 Ų68.30%036%0.359CS..Hα-helixtrans-64.9-36.9172.2-66159.4000111A48 I49 R50 L54 L55 K56 L66 V69 L76 L78 A151 F152A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 VanDerWaalsContact O-CD1 3.26Å; A48-I52 WeakPolarHBondContact O-CD1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 2.72Å; I49-I52 PolarHBondContact O-N 2.84Å; R50-I52 PolarHBondContact O-N 3.49Å; I52-L54 VanDerWaalsContact C-N 3.28Å; I52-L54 PolarHBondContact O-N 3.02Å; I52-L55 WeakPolarHBondContact O-CA 3.26Å; I52-L55 VanDerWaalsContact O-CB 3.24Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.17Å; I52-K56 PolarHBondContact O-N 3.24Å; I52-L66 HydrophobicContact CG2-CD2 3.81Å; I52-L66 WeakPolarHBondContact O-CD2 3.47Å; I52-V69 HydrophobicContact CG2-CG1 4.41Å; I52-V69 HydrophobicContact CG2-CG2 3.56Å; I52-L76 HydrophobicContact CD1-CD2 3.79Å; I52-L78 HydrophobicContact CD1-CD2 4.3Å; I52-L78 HydrophobicContact CG2-CD2 3.56Å; I52-A151 HydrophobicContact CG1-CB 4.01Å; I52-F152 HydrophobicContact CD1-CE1 3.7Å; I52-F152 HydrophobicContact CD1-CE2 4.27Å; I52-F152 HydrophobicContact CD1-CZ 3.38Å; I52-F152 HydrophobicContact CG1-CZ 4.2Å
53S68.1Low76.7Confident55 Ų5558.5 Ų58.539%0.38531%0.313SS..Hα-helixtrans-67-32.5179-58.80000111.5I49 R50 E51 L55 K56I49-S53 WeakPolarHBondContact O-CB 3.32Å; I49-S53 PolarHBondContact O-N 3.47Å; I49-S53 PolarHBondContact O-OG 3.27Å; R50-S53 WeakPolarHBondContact O-CB 3.26Å; R50-S53 PolarHBondContact O-N 3.41Å; R50-S53 VanDerWaalsContact O-N 3.14Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 3.18Å; S53-L55 PolarHBondContact O-N 3.18Å; S53-K56 VanDerWaalsContact O-CB 3.32Å; S53-K56 WeakPolarHBondContact O-CB 3.36Å; S53-K56 PolarHBondContact O-N 3.26Å
54L68.3Low78.1Confident84 Ų8458.3 Ų58.344%0.4431%0.308SS..Hα-helixtrans-64-28.2169.9-64.7172.6000112.2R50 E51 I52 K56 E57R50-L54 PolarHBondContact O-N 3.14Å; R50-L54 VanDerWaalsContact O-N 3.08Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 2.92Å; I52-L54 VanDerWaalsContact C-N 3.28Å; I52-L54 PolarHBondContact O-N 3.02Å; L54-K56 PolarHBondContact O-N 3.38Å; L54-E57 WeakPolarHBondContact O-CB 3.28Å; L54-E57 PolarHBondContact O-N 3.18Å; L54-E57 VanDerWaalsContact O-N 3.16Å
55L72.3Confident79.3Confident24 Ų2462 Ų6213%0.12632%0.323CS..Hα-helixtrans-67.4-23.2172.5-58.8173.8000112.5E51 I52 S53 E57 L58 L66 F146 L148E51-L55 PolarHBondContact O-N 3.21Å; I52-L55 WeakPolarHBondContact O-CA 3.26Å; I52-L55 VanDerWaalsContact O-CB 3.24Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.17Å; S53-L55 PolarHBondContact O-N 3.18Å; L55-E57 PolarHBondContact O-N 3.15Å; L55-L58 HydrophobicContact CD2-CD1 3.8Å; L55-L58 PolarHBondContact O-N 3.37Å; L55-L66 HydrophobicContact CB-CD2 4.06Å; L55-F146 HydrophobicContact CD2-CB 3.99Å; L55-L148 HydrophobicContact CD1-CD2 4.27Å
56K78.9Confident80.5Confident94 Ų9460 Ų6041%0.40931%0.309SS..THydrogen-bonded Turntrans-66-24.8172.4-74.6-170.3161.6-177.80112.3I52 S53 L54 L58 L66 D68I52-K56 PolarHBondContact O-N 3.24Å; S53-K56 VanDerWaalsContact O-CB 3.32Å; S53-K56 WeakPolarHBondContact O-CB 3.36Å; S53-K56 PolarHBondContact O-N 3.26Å; L54-K56 PolarHBondContact O-N 3.38Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L66 HydrophobicContact CG-CB 4.44Å; K56-L66 HydrophobicContact CG-CD2 3.74Å; K56-L66 HydrophobicContact CG-CG 3.98Å; K56-D68 IonicContact NZ-OD1 3.09Å; K56-D68 PolarHBondContact NZ-OD1 3.08Å; K56-D68 VanDerWaalsContact NZ-OD1 3.09Å
57E80Confident81.6Confident146 Ų14658.6 Ų58.668%0.68229%0.293SS*.THydrogen-bonded Turntrans-77.2-16178.2-60.4-179.6175.600112.5L54 L55 N59L54-E57 WeakPolarHBondContact O-CB 3.28Å; L54-E57 PolarHBondContact O-N 3.18Å; L54-E57 VanDerWaalsContact O-N 3.16Å; L55-E57 PolarHBondContact O-N 3.15Å; E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.23Å
58L85.1Confident82.7Confident11 Ų1157.3 Ų57.36%0.05828%0.283CS..  trans-76.183.7176.2-60.8179.8000110.8L55 K56 I63 F117 V123L55-L58 HydrophobicContact CD2-CD1 3.8Å; L55-L58 PolarHBondContact O-N 3.37Å; K56-L58 VanDerWaalsContact C-N 3.28Å; L58-I63 HydrophobicContact CB-CG2 4.27Å; L58-F117 HydrophobicContact CB-CE1 4.44Å; L58-F117 HydrophobicContact CD2-CD1 4.48Å; L58-F117 HydrophobicContact CD2-CE1 3.83Å; L58-V123 HydrophobicContact CD1-CG1 4.3Å; L58-V123 HydrophobicContact CD2-CG2 4.24Å
59N90.9Very high83.6Confident109 Ų10958.8 Ų58.858%0.58329%0.292SS*.  trans-109.195.4178.7-173.833.9000111E57E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.23Å
60H95.3Very high84.4Confident35 Ų3557.1 Ų57.116%0.16228%0.284CS..  trans-144143.5179.8-174.3-91.5000110.2N62 I63 F117H60-N62 PolarHBondContact CE1-OD1 3.3Å; H60-N62 PolarHBondContact ND1-N 3.05Å; H60-N62 PolarHBondContact O-N 2.93Å; H60-I63 HydrophobicContact CB-CB 4.19Å; H60-I63 HydrophobicContact CB-CD1 3.73Å; H60-I63 HydrophobicContact CB-CG1 3.96Å; H60-I63 PolarHBondContact O-N 3.41Å; H60-F117 HydrophobicContact CB-CB 4.49Å; H60-F117 HydrophobicContact CB-CD1 3.92Å; H60-F117 HydrophobicContact CB-CD2 4.35Å; H60-F117 HydrophobicContact CB-CE1 4.18Å; H60-F117 HydrophobicContact CB-CG 3.99Å; H60-F117 AromaticContact CD2-CD2 3.83Å; H60-F117 AromaticContact CD2-CG 3.79Å; H60-F117 AromaticContact CG-CG 3.99Å
61P96.7Very high85.1Confident86 Ų8652.3 Ų52.356%0.55827%0.269SS*.THydrogen-bonded Turntrans-56.9-26-178.820.8-34.7000114.4K142P61-K142 WeakPolarHBondContact O-CD 3.38Å; P61-K142 WeakPolarHBondContact O-CE 3.36Å; P61-K142 WeakPolarHBondContact O-CG 3.33Å; P61-K142 PolarHBondContact O-NZ 3Å
62N97.3Very high85.6Confident4 Ų452.5 Ų52.52%0.02127%0.274CS..THydrogen-bonded Turntrans-104.720.9179.7-54.2107.1000114.2H60 Q110 I141 K142 L143H60-N62 PolarHBondContact CE1-OD1 3.3Å; H60-N62 PolarHBondContact ND1-N 3.05Å; H60-N62 PolarHBondContact O-N 2.93Å; N62-Q110 WeakPolarHBondContact CB-O 3.38Å; N62-Q110 VanDerWaalsContact ND2-CB 3.33Å; N62-Q110 WeakPolarHBondContact ND2-CB 3.4Å; N62-Q110 PolarHBondContact ND2-OE1 2.92Å; N62-Q110 PolarHBondContact OD1-O 2.97Å; N62-I141 PolarHBondContact ND2-O 3.08Å; N62-K142 WeakPolarHBondContact O-CA 3.31Å; N62-L143 PolarHBondContact O-N 2.95Å
63I94.8Very high85.6Confident3 Ų360.7 Ų60.72%0.01531%0.313CS..BIsolated β-bridgetrans-125.9134.8173-64.2174.7000107.6L58 H60 K65 F117 C118 L143 F146L58-I63 HydrophobicContact CB-CG2 4.27Å; H60-I63 HydrophobicContact CB-CB 4.19Å; H60-I63 HydrophobicContact CB-CD1 3.73Å; H60-I63 HydrophobicContact CB-CG1 3.96Å; H60-I63 PolarHBondContact O-N 3.41Å; I63-K65 PolarHBondContact O-N 2.8Å; I63-F117 HydrophobicContact CD1-CD1 3.45Å; I63-F117 VanDerWaalsContact CD1-CD1 3.45Å; I63-F117 HydrophobicContact CD1-CE1 4.01Å; I63-F117 HydrophobicContact CD1-CG 4.38Å; I63-C118 WeakPolarHBondContact CD1-SG 3.42Å; I63-L143 HydrophobicContact CG1-CD1 4.48Å; I63-F146 HydrophobicContact CB-CE2 4.33Å; I63-F146 HydrophobicContact CD1-CE2 4.47Å; I63-F146 HydrophobicContact CD1-CZ 4.43Å; I63-F146 HydrophobicContact CG1-CE2 4.03Å; I63-F146 HydrophobicContact CG1-CZ 4.25Å; I63-F146 HydrophobicContact CG2-CD2 4.04Å; I63-F146 HydrophobicContact CG2-CE2 3.69Å
64V94.1Very high86Confident14 Ų1464.2 Ų64.29%0.08533%0.327CS..  trans-66.6119.8176.4177.70000109.3L66 F80 E81 L83 L134 K142 L143 A144V64-L66 PolarHBondContact O-N 3.32Å; V64-F80 HydrophobicContact CG1-CB 3.91Å; V64-F80 HydrophobicContact CG1-CD1 3.87Å; V64-F80 HydrophobicContact CG1-CG 4.2Å; V64-E81 HydrophobicContact CG1-CG 3.93Å; V64-L83 HydrophobicContact CG1-CD1 4.13Å; V64-L83 HydrophobicContact CG2-CD1 3.73Å; V64-L134 HydrophobicContact CG2-CD1 4.14Å; V64-K142 HydrophobicContact CG2-CB 3.68Å; V64-K142 HydrophobicContact CG2-CD 4.5Å; V64-L143 WeakPolarHBondContact CG2-O 3.35Å; V64-L143 PolarHBondContact N-O 3.31Å; V64-A144 HydrophobicContact CB-CB 4.31Å; V64-A144 HydrophobicContact CG2-CB 3.69Å
65K92.4Very high86.6Confident94 Ų9465 Ų6541%0.40933%0.327SS..  trans-73.5124.1-176.7-169173.8-178.11760111.3I63 L67 F80 E81I63-K65 PolarHBondContact O-N 2.8Å; K65-L67 HydrophobicContact CB-CD2 4.42Å; K65-L67 HydrophobicContact CD-CD2 3.89Å; K65-L67 HydrophobicContact CG-CD2 4Å; K65-L67 PolarHBondContact O-N 3.42Å; K65-F80 WeakPolarHBondContact O-CA 3.45Å; K65-E81 HydrophobicContact CB-CG 4.2Å; K65-E81 VanDerWaalsContact CB-OE1 3.27Å; K65-E81 WeakPolarHBondContact CB-OE1 3.47Å; K65-E81 PolarHBondContact N-OE1 2.91Å; K65-E81 PolarHBondContact O-N 2.86Å; K65-E81 VanDerWaalsContact O-N 3.09Å
66L91.2Very high87.3Confident9 Ų963.8 Ų63.85%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-76.8107.2164.1-179.762.8000108.5I52 L55 K56 V64 D68 V69 L78 F80I52-L66 HydrophobicContact CG2-CD2 3.81Å; I52-L66 WeakPolarHBondContact O-CD2 3.47Å; L55-L66 HydrophobicContact CB-CD2 4.06Å; K56-L66 HydrophobicContact CG-CB 4.44Å; K56-L66 HydrophobicContact CG-CD2 3.74Å; K56-L66 HydrophobicContact CG-CG 3.98Å; V64-L66 PolarHBondContact O-N 3.32Å; L66-D68 WeakPolarHBondContact CD1-O 3.4Å; L66-V69 HydrophobicContact CD1-CG2 4.4Å; L66-V69 HydrophobicContact CD2-CG2 4Å; L66-V69 HydrophobicContact CG-CG2 4.44Å; L66-L78 HydrophobicContact CD1-CB 3.9Å; L66-L78 HydrophobicContact CD1-CD2 4.41Å; L66-F80 HydrophobicContact CB-CD1 4.13Å; L66-F80 HydrophobicContact CB-CE1 3.9Å; L66-F80 HydrophobicContact CD1-CD1 4.08Å; L66-F80 HydrophobicContact CD1-CE1 3.73Å; L66-F80 HydrophobicContact CD1-CE2 4.4Å; L66-F80 HydrophobicContact CD1-CZ 3.91Å; L66-F80 HydrophobicContact CG-CE1 4.37Å
67L90.5Very high87.7Confident68 Ų6859.6 Ų59.636%0.35630%0.302SS..EExtended strand (participates in β ladder)trans-78.4-45.9-179.5-57.6176.4000110.8V30 K65 V79V30-L67 HydrophobicContact CG1-CD1 3.93Å; K65-L67 HydrophobicContact CB-CD2 4.42Å; K65-L67 HydrophobicContact CD-CD2 3.89Å; K65-L67 HydrophobicContact CG-CD2 4Å; K65-L67 PolarHBondContact O-N 3.42Å; L67-V79 WeakPolarHBondContact CA-O 3.43Å; L67-V79 HydrophobicContact CB-CG1 4.37Å; L67-V79 WeakPolarHBondContact CB-O 3.45Å; L67-V79 PolarHBondContact N-O 3.14Å
68D88.7Confident88.1Confident65 Ų6552.7 Ų52.735%0.34827%0.27SS..EExtended strand (participates in β ladder)trans-154.9163.8-176.9-156.415.1000114.2K56 L66 V79K56-D68 IonicContact NZ-OD1 3.09Å; K56-D68 PolarHBondContact NZ-OD1 3.08Å; K56-D68 VanDerWaalsContact NZ-OD1 3.09Å; L66-D68 WeakPolarHBondContact CD1-O 3.4Å; D68-V79 HydrophobicContact CB-CB 4Å; D68-V79 HydrophobicContact CB-CG2 3.92Å; D68-V79 PolarHBondContact N-O 2.85Å; D68-V79 PolarHBondContact O-N 3.3Å
69V88.1Confident88.5Confident31 Ų3152.2 Ų52.219%0.18827%0.268CS..EExtended strand (participates in β ladder)trans-126.7116.8176.7-179.30000108I52 L66 L76 L78I52-V69 HydrophobicContact CG2-CG1 4.41Å; I52-V69 HydrophobicContact CG2-CG2 3.56Å; L66-V69 HydrophobicContact CD1-CG2 4.4Å; L66-V69 HydrophobicContact CD2-CG2 4Å; L66-V69 HydrophobicContact CG-CG2 4.44Å; V69-L76 HydrophobicContact CG1-CD1 3.68Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG1-CD2 4.05Å; V69-L78 HydrophobicContact CG2-CD2 4Å
70I87.1Confident88.6Confident20 Ų2048.2 Ų48.210%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-106.5111.8179.4-51.8169000107.9F4 L76 Y77 V79F4-I70 HydrophobicContact CD2-CD1 3.66Å; F4-I70 HydrophobicContact CE2-CD1 3.53Å; I70-L76 WeakPolarHBondContact O-CA 3.25Å; I70-Y77 PolarHBondContact N-O 3.13Å; I70-Y77 PolarHBondContact O-N 3.08Å; I70-V79 HydrophobicContact CD1-CG2 3.7Å; I70-V79 HydrophobicContact CG1-CG2 3.94Å
71H83.8Confident88.5Confident91 Ų9148.6 Ų48.642%0.42125%0.247SC..EExtended strand (participates in β ladder)trans-106.9131.5172.2-178.155.3000110L76H71-L76 HydrophobicContact CB-CD1 4.17Å
72T79.5Confident88.4Confident60 Ų6046.5 Ų46.537%0.36823%0.229SC..EExtended strand (participates in β ladder)trans-130.8160.4168.855.60000106.8N74 K75T72-N74 VanDerWaalsContact C-N 3.25Å; T72-N74 PolarHBondContact O-N 3.25Å; T72-K75 PolarHBondContact N-O 3.28Å; T72-K75 PolarHBondContact O-N 3.39Å; T72-K75 VanDerWaalsContact O-O 3.05Å; T72-K75 WeakPolarHBondContact OG1-CB 3.47Å; T72-K75 PolarHBondContact OG1-O 3.05Å; T72-K75 VanDerWaalsContact OG1-O 3.08Å
73E74.2Confident88.3Confident172 Ų17246.9 Ų46.980%0.80423%0.231SC*.THydrogen-bonded Turntrans-33.8-53.1-169.6-68175.3176.500114.4
74N76.3Confident88.2Confident129 Ų12950.5 Ų50.569%0.6925%0.248SC*.THydrogen-bonded Turntrans-120.115.1-178.2-64.3-13.4000114.6T72T72-N74 VanDerWaalsContact C-N 3.25Å; T72-N74 PolarHBondContact O-N 3.25Å
75K82.5Confident88.2Confident99 Ų9950.7 Ų50.743%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-140.7132.6-178.4-53.5173.7-174.8162.60111.4T72 Y77T72-K75 PolarHBondContact N-O 3.28Å; T72-K75 PolarHBondContact O-N 3.39Å; T72-K75 VanDerWaalsContact O-O 3.05Å; T72-K75 WeakPolarHBondContact OG1-CB 3.47Å; T72-K75 PolarHBondContact OG1-O 3.05Å; T72-K75 VanDerWaalsContact OG1-O 3.08Å; K75-Y77 HydrophobicContact CB-CD2 4.33Å; K75-Y77 HydrophobicContact CB-CE2 3.66Å; K75-Y77 HydrophobicContact CD-CE2 4.23Å
76L85.4Confident88.3Confident0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-114.4128.8171.8-177.166.8000109.8I35 L37 V44 I52 V69 I70 H71 F152I35-L76 HydrophobicContact CB-CB 4.23Å; I35-L76 HydrophobicContact CB-CD2 4.31Å; I35-L76 HydrophobicContact CB-CG 4.48Å; I35-L76 HydrophobicContact CG1-CB 4.42Å; I35-L76 HydrophobicContact CG1-CD2 4.04Å; I35-L76 HydrophobicContact CG1-CG 4.17Å; I35-L76 PolarHBondContact N-O 3.26Å; L37-L76 HydrophobicContact CD1-CB 4.32Å; V44-L76 HydrophobicContact CG1-CD2 4Å; V44-L76 HydrophobicContact CG2-CB 4Å; V44-L76 HydrophobicContact CG2-CD2 4.23Å; I52-L76 HydrophobicContact CD1-CD2 3.79Å; V69-L76 HydrophobicContact CG1-CD1 3.68Å; I70-L76 WeakPolarHBondContact O-CA 3.25Å; H71-L76 HydrophobicContact CB-CD1 4.17Å; L76-F152 HydrophobicContact CD2-CE1 3.36Å; L76-F152 HydrophobicContact CD2-CZ 3.54Å
77Y88.1Confident88.6Confident6 Ų646.9 Ų46.92%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-121.7133.4172.5-60-98.1000109.6M1 K33 K34 I70 K75M1-Y77 HydrophobicContact CG-CD2 4.43Å; M1-Y77 HydrophobicContact CG-CE2 4.09Å; M1-Y77 HydrophobicContact SD-CE1 4.29Å; M1-Y77 HydrophobicContact SD-CE2 4.25Å; K33-Y77 WeakPolarHBondContact O-CA 3.14Å; K34-Y77 HydrophobicContact CB-CD1 3.7Å; K34-Y77 HydrophobicContact CB-CE1 3.5Å; K34-Y77 HydrophobicContact CD-CE1 4.04Å; K34-Y77 HydrophobicContact CG-CD1 4.06Å; K34-Y77 HydrophobicContact CG-CE1 3.57Å; I70-Y77 PolarHBondContact N-O 3.13Å; I70-Y77 PolarHBondContact O-N 3.08Å; K75-Y77 HydrophobicContact CB-CD2 4.33Å; K75-Y77 HydrophobicContact CB-CE2 3.66Å; K75-Y77 HydrophobicContact CD-CE2 4.23Å
78L89.4Confident88.8Confident0 Ų046.2 Ų46.20%023%0.226CC..EExtended strand (participates in β ladder)trans-100.8128.3168.6-54.6-174.4000108.4K33 I35 I52 L66 V69 F80 L148K33-L78 HydrophobicContact CB-CB 4.4Å; K33-L78 PolarHBondContact N-O 3.5Å; K33-L78 PolarHBondContact O-N 3.44Å; I35-L78 HydrophobicContact CD1-CD1 3.92Å; I35-L78 HydrophobicContact CD1-CG 4.14Å; I35-L78 HydrophobicContact CG1-CD1 4.36Å; I35-L78 HydrophobicContact CG1-CG 4.14Å; I52-L78 HydrophobicContact CD1-CD2 4.3Å; I52-L78 HydrophobicContact CG2-CD2 3.56Å; L66-L78 HydrophobicContact CD1-CB 3.9Å; L66-L78 HydrophobicContact CD1-CD2 4.41Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG1-CD2 4.05Å; V69-L78 HydrophobicContact CG2-CD2 4Å; L78-F80 HydrophobicContact CB-CD2 4.11Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.84Å; L78-F80 HydrophobicContact CD1-CE2 4.08Å; L78-F80 HydrophobicContact CD1-CZ 3.92Å; L78-F80 HydrophobicContact CG-CE2 4.38Å; L78-L148 HydrophobicContact CD1-CD2 3.45Å; L78-L148 VanDerWaalsContact CD1-CD2 3.45Å
79V91.9Very high89Confident2 Ų248.5 Ų48.51%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-101.6112.6179.7-168.20000108F4 V30 L32 L67 D68 I70F4-V79 HydrophobicContact CE1-CG1 3.87Å; F4-V79 HydrophobicContact CE2-CG2 4.33Å; F4-V79 HydrophobicContact CZ-CG1 3.92Å; F4-V79 HydrophobicContact CZ-CG2 4.14Å; V30-V79 HydrophobicContact CB-CG1 3.95Å; V30-V79 HydrophobicContact CG1-CG1 4.2Å; V30-V79 HydrophobicContact CG2-CG1 3.98Å; L32-V79 HydrophobicContact CD2-CB 4.09Å; L32-V79 HydrophobicContact CD2-CG1 3.93Å; L32-V79 HydrophobicContact CD2-CG2 3.57Å; L67-V79 WeakPolarHBondContact CA-O 3.43Å; L67-V79 HydrophobicContact CB-CG1 4.37Å; L67-V79 WeakPolarHBondContact CB-O 3.45Å; L67-V79 PolarHBondContact N-O 3.14Å; D68-V79 HydrophobicContact CB-CB 4Å; D68-V79 HydrophobicContact CB-CG2 3.92Å; D68-V79 PolarHBondContact N-O 2.85Å; D68-V79 PolarHBondContact O-N 3.3Å; I70-V79 HydrophobicContact CD1-CG2 3.7Å; I70-V79 HydrophobicContact CG1-CG2 3.94Å
80F93.3Very high89.3Confident25 Ų2547.5 Ų47.511%0.1123%0.226CC..EExtended strand (participates in β ladder)trans-109.4159178-63.9-82.8000111.2V30 A31 K33 V64 K65 L66 L78V30-F80 WeakPolarHBondContact CB-O 3.4Å; A31-F80 HydrophobicContact CB-CB 4.3Å; A31-F80 PolarHBondContact N-O 3.46Å; A31-F80 PolarHBondContact O-N 3.42Å; K33-F80 HydrophobicContact CB-CD2 4.33Å; K33-F80 HydrophobicContact CB-CE2 4.06Å; K33-F80 HydrophobicContact CD-CE2 4.36Å; V64-F80 HydrophobicContact CG1-CB 3.91Å; V64-F80 HydrophobicContact CG1-CD1 3.87Å; V64-F80 HydrophobicContact CG1-CG 4.2Å; K65-F80 WeakPolarHBondContact O-CA 3.45Å; L66-F80 HydrophobicContact CB-CD1 4.13Å; L66-F80 HydrophobicContact CB-CE1 3.9Å; L66-F80 HydrophobicContact CD1-CD1 4.08Å; L66-F80 HydrophobicContact CD1-CE1 3.73Å; L66-F80 HydrophobicContact CD1-CE2 4.4Å; L66-F80 HydrophobicContact CD1-CZ 3.91Å; L66-F80 HydrophobicContact CG-CE1 4.37Å; L78-F80 HydrophobicContact CB-CD2 4.11Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.84Å; L78-F80 HydrophobicContact CD1-CE2 4.08Å; L78-F80 HydrophobicContact CD1-CZ 3.92Å; L78-F80 HydrophobicContact CG-CE2 4.38Å
81E93.9Very high89.7Confident42 Ų4247.2 Ų47.220%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-55.6144.3161.965.6177.2126.300110.3V64 K65 L83 K142V64-E81 HydrophobicContact CG1-CG 3.93Å; K65-E81 HydrophobicContact CB-CG 4.2Å; K65-E81 VanDerWaalsContact CB-OE1 3.27Å; K65-E81 WeakPolarHBondContact CB-OE1 3.47Å; K65-E81 PolarHBondContact N-OE1 2.91Å; K65-E81 PolarHBondContact O-N 2.86Å; K65-E81 VanDerWaalsContact O-N 3.09Å; E81-L83 HydrophobicContact CG-CD1 3.92Å; E81-K142 IonicContact OE1-NZ 2.82Å; E81-K142 PolarHBondContact OE1-NZ 3.22Å; E81-K142 WeakPolarHBondContact OE2-CE 3.28Å; E81-K142 IonicContact OE2-NZ 2.75Å; E81-K142 PolarHBondContact OE2-NZ 3.45Å
82F94.8Very high90.2Very high42 Ų4247.1 Ų47.118%0.18423%0.227CC..  trans-86130178.7180-99.9000110.6I10 K20 V29I10-F82 HydrophobicContact CD1-CD2 4.35Å; I10-F82 HydrophobicContact CD1-CE2 3.89Å; K20-F82 HydrophobicContact CB-CE2 4.19Å; K20-F82 HydrophobicContact CD-CE2 3.94Å; K20-F82 HydrophobicContact CD-CZ 4.01Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.82Å; K20-F82 HydrophobicContact CG-CZ 4.35Å; V29-F82 HydrophobicContact CB-CB 4.46Å; V29-F82 HydrophobicContact CG1-CB 3.99Å; V29-F82 HydrophobicContact CG1-CD1 3.91Å; V29-F82 HydrophobicContact CG1-CD2 4.17Å; V29-F82 HydrophobicContact CG1-CE1 4.47Å; V29-F82 HydrophobicContact CG1-CG 3.74Å; V29-F82 WeakPolarHBondContact O-CB 3.47Å
83L94.7Very high90.8Very high13 Ų1346.1 Ų46.17%0.06823%0.225CC..  trans-117.5153.3167.7-69.8100000109.5V64 E81 L134 N136 K142V64-L83 HydrophobicContact CG1-CD1 4.13Å; V64-L83 HydrophobicContact CG2-CD1 3.73Å; E81-L83 HydrophobicContact CG-CD1 3.92Å; L83-L134 HydrophobicContact CB-CB 3.68Å; L83-L134 HydrophobicContact CB-CD1 4.24Å; L83-L134 HydrophobicContact CD1-CB 4.1Å; L83-L134 HydrophobicContact CD1-CD1 4.12Å; L83-L134 HydrophobicContact CD2-CB 3.74Å; L83-L134 WeakPolarHBondContact CD2-O 3.2Å; L83-L134 HydrophobicContact CG-CB 4.04Å; L83-N136 HydrophobicContact CD2-CB 4.3Å; L83-K142 HydrophobicContact CD1-CD 4.43Å; L83-K142 HydrophobicContact CD2-CB 4.06Å; L83-K142 HydrophobicContact CD2-CD 3.97Å; L83-K142 HydrophobicContact CD2-CG 3.85Å
84H93.3Very high91.6Very high78 Ų7838.7 Ų38.736%0.36119%0.192SC..SBendtrans-83.2-38-163.3-68.186.1000112.8I135 T137 L296 L298H84-I135 PolarHBondContact N-O 2.75Å; H84-T137 PolarHBondContact CE1-OG1 2.79Å; H84-L296 HydrophobicContact CB-CD1 4.02Å; H84-L298 HydrophobicContact CB-CD2 3.62Å
85Q93.4Very high92Very high19 Ų1935.1 Ų35.19%0.08918%0.18CC..EExtended strand (participates in β ladder)trans-151146.6-170.5-168.7170.6-9.100111.1K89 F90 L134 I135Q85-K89 HydrophobicContact CG-CB 3.75Å; Q85-K89 PolarHBondContact NE2-O 3.2Å; Q85-F90 VanDerWaalsContact NE2-N 3.11Å; Q85-L134 CarbonylContact O-C 3.6Å; Q85-I135 PolarHBondContact N-O 2.77Å; Q85-I135 PolarHBondContact O-N 3.36Å
86D94.9Very high92.1Very high22 Ų2238.4 Ų38.412%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-87.2156.4169.362.578.1000111.9K88 K89 F90 L133 L134D86-K88 PolarHBondContact O-N 3.03Å; D86-K88 WeakPolarHBondContact OD1-CA 3.18Å; D86-K88 VanDerWaalsContact OD1-CB 3.28Å; D86-K88 WeakPolarHBondContact OD1-CB 3.23Å; D86-K88 PolarHBondContact OD1-N 3.42Å; D86-K88 VanDerWaalsContact OD1-N 3.15Å; D86-K89 PolarHBondContact O-N 3.37Å; D86-K89 PolarHBondContact OD1-N 2.81Å; D86-K89 WeakPolarHBondContact OD2-CD 3.42Å; D86-K89 WeakPolarHBondContact OD2-CE 3.34Å; D86-K89 WeakPolarHBondContact OD2-CG 3.3Å; D86-K89 IonicContact OD2-NZ 2.61Å; D86-F90 PolarHBondContact O-N 3.34Å; D86-L133 CarbonylContact C-O 3.37Å; D86-L133 WeakPolarHBondContact CA-O 3.39Å; D86-L134 HydrophobicContact CB-CD2 3.74Å
87L96.3Very high92.1Very high0 Ų044.5 Ų44.50%024%0.239CC..Hα-helixtrans-61.1-31.3-177.7-179.667.3000111.8F90 M91 Y107 P130 L133 I135 I141 I192 M196L87-F90 HydrophobicContact CD1-CD1 4.24Å; L87-F90 PolarHBondContact O-N 3.39Å; L87-M91 HydrophobicContact CD1-CG 4.27Å; L87-M91 HydrophobicContact CG-CE 4.29Å; L87-M91 HydrophobicContact CG-CG 4.31Å; L87-M91 HydrophobicContact CG-SD 4.32Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 3.06Å; L87-Y107 HydrophobicContact CD1-CD2 4.23Å; L87-Y107 HydrophobicContact CD1-CE2 4.33Å; L87-P130 HydrophobicContact CB-CB 4.13Å; L87-P130 WeakPolarHBondContact CB-O 3.35Å; L87-P130 HydrophobicContact CD2-CB 4.22Å; L87-P130 HydrophobicContact CG-CB 4.23Å; L87-P130 PolarHBondContact N-O 2.98Å; L87-L133 HydrophobicContact CB-CB 3.9Å; L87-L133 HydrophobicContact CD2-CB 4.38Å; L87-L133 HydrophobicContact CD2-CD1 3.64Å; L87-L133 PolarHBondContact N-O 3.4Å; L87-I135 HydrophobicContact CB-CD1 4.28Å; L87-I135 HydrophobicContact CD1-CD1 3.95Å; L87-I141 HydrophobicContact CD1-CD1 4.34Å; L87-I141 HydrophobicContact CD2-CD1 4.44Å; L87-I192 HydrophobicContact CD2-CG2 3.79Å; L87-M196 HydrophobicContact CD1-CG 4.42Å; L87-M196 HydrophobicContact CD1-SD 4.16Å; L87-M196 HydrophobicContact CD2-CG 4.05Å; L87-M196 HydrophobicContact CD2-SD 3.92Å
88K94.6Very high92.3Very high54 Ų5444.8 Ų44.824%0.23524%0.244CC..Hα-helixtrans-62-52.4177-17759.1173.775.40110.7D86 F90 M91 D92 P130 Q131D86-K88 PolarHBondContact O-N 3.03Å; D86-K88 WeakPolarHBondContact OD1-CA 3.18Å; D86-K88 VanDerWaalsContact OD1-CB 3.28Å; D86-K88 WeakPolarHBondContact OD1-CB 3.23Å; D86-K88 PolarHBondContact OD1-N 3.42Å; D86-K88 VanDerWaalsContact OD1-N 3.15Å; K88-F90 PolarHBondContact O-N 3.32Å; K88-M91 HydrophobicContact CD-CE 4.24Å; K88-M91 PolarHBondContact O-N 2.89Å; K88-D92 IonicContact NZ-OD1 3.79Å; K88-D92 PolarHBondContact NZ-OD1 2.83Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 2.85Å; K88-D92 VanDerWaalsContact O-CG 3.27Å; K88-D92 PolarHBondContact O-N 2.94Å; K88-P130 HydrophobicContact CB-CB 3.96Å; K88-P130 PolarHBondContact N-O 3.43Å; K88-Q131 HydrophobicContact CB-CG 4.04Å; K88-Q131 HydrophobicContact CG-CG 4.46Å
89K93.9Very high92.5Very high113 Ų11345.6 Ų45.649%0.49125%0.248SC..Hα-helixtrans-58.7-37.6175.3-71.8179.5-169.7167.30111.4Q85 D86 D92 A93Q85-K89 HydrophobicContact CG-CB 3.75Å; Q85-K89 PolarHBondContact NE2-O 3.2Å; D86-K89 PolarHBondContact O-N 3.37Å; D86-K89 PolarHBondContact OD1-N 2.81Å; D86-K89 WeakPolarHBondContact OD2-CD 3.42Å; D86-K89 WeakPolarHBondContact OD2-CE 3.34Å; D86-K89 WeakPolarHBondContact OD2-CG 3.3Å; D86-K89 IonicContact OD2-NZ 2.61Å; K89-D92 PolarHBondContact O-N 2.89Å; K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 3.49Å
90F95.3Very high92.7Very high11 Ų1149.5 Ų49.55%0.04827%0.274CS..Hα-helixtrans-67-41.2179.3-176.4-103.5000112.4Q85 D86 L87 K88 S94 I99 L103 Y107 I135 P294 L296Q85-F90 VanDerWaalsContact NE2-N 3.11Å; D86-F90 PolarHBondContact O-N 3.34Å; L87-F90 HydrophobicContact CD1-CD1 4.24Å; L87-F90 PolarHBondContact O-N 3.39Å; K88-F90 PolarHBondContact O-N 3.32Å; F90-S94 VanDerWaalsContact O-CB 3.32Å; F90-S94 WeakPolarHBondContact O-CB 3.36Å; F90-S94 PolarHBondContact O-N 3.39Å; F90-S94 VanDerWaalsContact O-N 3.11Å; F90-S94 PolarHBondContact O-OG 2.91Å; F90-I99 HydrophobicContact CD1-CD1 3.77Å; F90-I99 HydrophobicContact CD1-CG1 4.33Å; F90-I99 HydrophobicContact CE1-CD1 3.72Å; F90-I99 HydrophobicContact CE1-CG1 3.89Å; F90-I99 HydrophobicContact CE1-CG2 4.18Å; F90-L103 HydrophobicContact CE1-CD2 4.02Å; F90-L103 HydrophobicContact CZ-CD2 3.81Å; F90-Y107 HydrophobicContact CD1-CE2 4.19Å; F90-Y107 AromaticContact CE1-CE2 3.93Å; F90-Y107 HydrophobicContact CE1-CE2 3.93Å; F90-I135 HydrophobicContact CB-CD1 3.83Å; F90-I135 HydrophobicContact CD1-CD1 4.11Å; F90-I135 HydrophobicContact CG-CD1 3.92Å; F90-P294 HydrophobicContact CE2-CB 3.98Å; F90-P294 HydrophobicContact CZ-CB 3.91Å; F90-L296 HydrophobicContact CD2-CD2 3.69Å; F90-L296 HydrophobicContact CE2-CD2 3.79Å
91M95.1Very high92.8Very high13 Ų1351 Ų516%0.06428%0.283CS..Hα-helixtrans-64.6-41.4173-71.6-173.4-55.100111.6L87 K88 S94 A95 I99 P130 E195 M196L87-M91 HydrophobicContact CD1-CG 4.27Å; L87-M91 HydrophobicContact CG-CE 4.29Å; L87-M91 HydrophobicContact CG-CG 4.31Å; L87-M91 HydrophobicContact CG-SD 4.32Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 3.06Å; K88-M91 HydrophobicContact CD-CE 4.24Å; K88-M91 PolarHBondContact O-N 2.89Å; M91-S94 CarbonylContact O-C 3.32Å; M91-S94 VanDerWaalsContact O-C 3.32Å; M91-S94 PolarHBondContact O-N 3.13Å; M91-S94 VanDerWaalsContact O-N 3.13Å; M91-A95 PolarHBondContact O-N 3.45Å; M91-I99 HydrophobicContact CG-CD1 3.71Å; M91-P130 HydrophobicContact CE-CB 3.59Å; M91-P130 HydrophobicContact CE-CG 3.65Å; M91-E195 HydrophobicContact CE-CG 4.07Å; M91-E195 HydrophobicContact SD-CG 4.01Å; M91-M196 HydrophobicContact SD-CG 4.06Å
92D93.4Very high92.9Very high90 Ų9052.3 Ų52.348%0.48129%0.294SS..Hα-helixtrans-64.3-44.1178.3-68.7-21000112.1K88 K89 S94 A95K88-D92 IonicContact NZ-OD1 3.79Å; K88-D92 PolarHBondContact NZ-OD1 2.83Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 2.85Å; K88-D92 VanDerWaalsContact O-CG 3.27Å; K88-D92 PolarHBondContact O-N 2.94Å; K89-D92 PolarHBondContact O-N 2.89Å; D92-S94 PolarHBondContact O-N 3.46Å; D92-A95 VanDerWaalsContact O-CB 3.26Å; D92-A95 WeakPolarHBondContact O-CB 3.03Å; D92-A95 PolarHBondContact O-N 3.2Å
93A92.1Very high93Very high39 Ų3950.9 Ų50.932%0.32229%0.289SS..Hα-helixtrans-63.6-26.6174.400000112.8K89K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 3.49Å
94S90.4Very high93.2Very high16 Ų1650.4 Ų50.411%0.11229%0.286CS..THydrogen-bonded Turntrans-97.211179.3-49.90000112.8F90 M91 D92 L96 T97 G98F90-S94 VanDerWaalsContact O-CB 3.32Å; F90-S94 WeakPolarHBondContact O-CB 3.36Å; F90-S94 PolarHBondContact O-N 3.39Å; F90-S94 VanDerWaalsContact O-N 3.11Å; F90-S94 PolarHBondContact O-OG 2.91Å; M91-S94 CarbonylContact O-C 3.32Å; M91-S94 VanDerWaalsContact O-C 3.32Å; M91-S94 PolarHBondContact O-N 3.13Å; M91-S94 VanDerWaalsContact O-N 3.13Å; D92-S94 PolarHBondContact O-N 3.46Å; S94-L96 VanDerWaalsContact C-N 3.26Å; S94-L96 PolarHBondContact O-N 2.83Å; S94-L96 VanDerWaalsContact O-N 3.17Å; S94-T97 PolarHBondContact O-N 2.84Å; S94-G98 VanDerWaalsContact O-CA 3.31Å; S94-G98 WeakPolarHBondContact O-CA 3.48Å; S94-G98 PolarHBondContact O-N 2.84Å
95A84.8Confident93.4Very high53 Ų5347.3 Ų47.344%0.43827%0.272SS..THydrogen-bonded Turntrans-58.3-36.4-171.300000113.3M91 D92 R199M91-A95 PolarHBondContact O-N 3.45Å; D92-A95 VanDerWaalsContact O-CB 3.26Å; D92-A95 WeakPolarHBondContact O-CB 3.03Å; D92-A95 PolarHBondContact O-N 3.2Å; A95-R199 WeakPolarHBondContact O-CD 3.41Å; A95-R199 PolarHBondContact O-NH1 3.31Å
96L84.6Confident93.6Very high168 Ų16846.4 Ų46.488%0.8827%0.268SS*.THydrogen-bonded Turntrans-73.5-48.3-180-66.1176.2000112.3S94 R199S94-L96 VanDerWaalsContact C-N 3.26Å; S94-L96 PolarHBondContact O-N 2.83Å; S94-L96 VanDerWaalsContact O-N 3.17Å; L96-R199 PolarHBondContact O-NH1 2.95Å
97T86.9Confident93.8Very high128 Ų12845.4 Ų45.479%0.78526%0.262SS*.THydrogen-bonded Turntrans-90.1-21-172.453.10000113.8S94S94-T97 PolarHBondContact O-N 2.84Å
98G91.2Very high93.9Very high13 Ų1345.4 Ų45.413%0.13426%0.262CS..  trans71.7174.5-164.900000113S94S94-G98 VanDerWaalsContact O-CA 3.31Å; S94-G98 WeakPolarHBondContact O-CA 3.48Å; S94-G98 PolarHBondContact O-N 2.84Å
99I94.6Very high94.1Very high17 Ų1744.6 Ų44.69%0.08726%0.259CS..  trans-96.3128.2172.6-56.5176.6000107.3F90 M91 L101 L103 I104F90-I99 HydrophobicContact CD1-CD1 3.77Å; F90-I99 HydrophobicContact CD1-CG1 4.33Å; F90-I99 HydrophobicContact CE1-CD1 3.72Å; F90-I99 HydrophobicContact CE1-CG1 3.89Å; F90-I99 HydrophobicContact CE1-CG2 4.18Å; M91-I99 HydrophobicContact CG-CD1 3.71Å; I99-L101 PolarHBondContact O-N 2.85Å; I99-L103 HydrophobicContact CG2-CB 4.02Å; I99-L103 HydrophobicContact CG2-CD2 3.85Å; I99-L103 HydrophobicContact CG2-CG 3.99Å; I99-I104 HydrophobicContact CB-CD1 4.12Å; I99-I104 HydrophobicContact CB-CG1 3.86Å; I99-I104 HydrophobicContact CG2-CD1 4.38Å; I99-I104 HydrophobicContact CG2-CG1 3.58Å; I99-I104 WeakPolarHBondContact O-CD1 3.26Å
100P94.9Very high94.4Very high84 Ų8439.6 Ų39.655%0.54524%0.237SC..  trans-59137.7175.9-24.634.3000112P102 L103 I104P100-P102 VanDerWaalsContact C-CD 3.43Å; P100-P102 VanDerWaalsContact C-N 3.32Å; P100-L103 WeakPolarHBondContact O-CB 3.14Å; P100-L103 PolarHBondContact O-N 2.93Å; P100-I104 PolarHBondContact O-N 2.9Å; P100-I104 VanDerWaalsContact O-N 3.11Å
101L95.3Very high94.5Very high56 Ų5639.1 Ų39.129%0.29324%0.235SC..Hα-helixtrans-52.2-39.6-178.8-176.563.1000114I99 L103 I104 K105 L255 F285I99-L101 PolarHBondContact O-N 2.85Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.3Å; L101-I104 PolarHBondContact O-N 3.39Å; L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 PolarHBondContact O-N 2.97Å; L101-L255 HydrophobicContact CD1-CD1 4.16Å; L101-F285 HydrophobicContact CD1-CZ 4.23Å
102P96.6Very high94.7Very high69 Ų6938.5 Ų38.545%0.44823%0.232SC..Hα-helixtrans-59-36.5174.9-26.836.5000113.8P100 S106 P292P100-P102 VanDerWaalsContact C-CD 3.43Å; P100-P102 VanDerWaalsContact C-N 3.32Å; P102-S106 WeakPolarHBondContact O-CB 3.5Å; P102-S106 PolarHBondContact O-N 2.9Å; P102-P292 HydrophobicContact CB-CG 4.4Å
103L97.1Very high94.9Very high12 Ų1236.7 Ų36.76%0.06322%0.221CC..Hα-helixtrans-73.9-38.4177-178.160.1000111.5F90 I99 P100 L101 K105 S106 Y107 P292 P294F90-L103 HydrophobicContact CE1-CD2 4.02Å; F90-L103 HydrophobicContact CZ-CD2 3.81Å; I99-L103 HydrophobicContact CG2-CB 4.02Å; I99-L103 HydrophobicContact CG2-CD2 3.85Å; I99-L103 HydrophobicContact CG2-CG 3.99Å; P100-L103 WeakPolarHBondContact O-CB 3.14Å; P100-L103 PolarHBondContact O-N 2.93Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 PolarHBondContact O-N 3.3Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 2.91Å; L103-S106 WeakPolarHBondContact O-CB 3.48Å; L103-S106 PolarHBondContact O-N 3.25Å; L103-Y107 HydrophobicContact CD1-CD1 4.17Å; L103-Y107 HydrophobicContact CD1-CD2 4.46Å; L103-Y107 HydrophobicContact CD1-CE1 3.68Å; L103-Y107 HydrophobicContact CD1-CE2 4Å; L103-Y107 HydrophobicContact CD2-CE2 4.21Å; L103-Y107 HydrophobicContact CG-CD2 4.28Å; L103-Y107 HydrophobicContact CG-CE1 4.45Å; L103-Y107 HydrophobicContact CG-CE2 3.87Å; L103-Y107 PolarHBondContact O-N 2.95Å; L103-P292 HydrophobicContact CB-CG 4.06Å; L103-P292 HydrophobicContact CD1-CG 4.09Å; L103-P294 HydrophobicContact CD2-CB 3.87Å
104I97.8Very high95.2Very high4 Ų434.9 Ų34.92%0.02121%0.206CC..Hα-helixtrans-59.1-46.2172-60.9177.6000110.3I99 P100 L101 Y107 L108 F193 M196 V197I99-I104 HydrophobicContact CB-CD1 4.12Å; I99-I104 HydrophobicContact CB-CG1 3.86Å; I99-I104 HydrophobicContact CG2-CD1 4.38Å; I99-I104 HydrophobicContact CG2-CG1 3.58Å; I99-I104 WeakPolarHBondContact O-CD1 3.26Å; P100-I104 PolarHBondContact O-N 2.9Å; P100-I104 VanDerWaalsContact O-N 3.11Å; L101-I104 PolarHBondContact O-N 3.39Å; I104-Y107 PolarHBondContact O-N 2.9Å; I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 PolarHBondContact O-N 3.08Å; I104-F193 HydrophobicContact CG2-CD2 3.93Å; I104-F193 HydrophobicContact CG2-CE2 3.89Å; I104-M196 HydrophobicContact CD1-CB 4.24Å; I104-M196 WeakPolarHBondContact CD1-O 3.38Å; I104-M196 HydrophobicContact CG1-CB 4.18Å; I104-M196 HydrophobicContact CG2-CB 3.98Å; I104-M196 HydrophobicContact CG2-CE 4.03Å; I104-M196 HydrophobicContact CG2-SD 4.45Å; I104-V197 HydrophobicContact CD1-CB 4.42Å; I104-V197 HydrophobicContact CD1-CG2 3.92Å; I104-V197 HydrophobicContact CG2-CG2 4.06Å
105K98.1Very high95.5Very high12 Ų1234.1 Ų34.15%0.05220%0.2CC..Hα-helixtrans-60.2-45.3177.5-170179.4-71.6-169.10111.1L101 L103 F109 F285 F286 D288 V289L101-K105 WeakPolarHBondContact O-CB 3.43Å; L101-K105 PolarHBondContact O-N 2.97Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 2.91Å; K105-F109 VanDerWaalsContact O-CB 3.29Å; K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.9Å; K105-F285 HydrophobicContact CB-CE1 4.21Å; K105-F285 HydrophobicContact CB-CZ 4.29Å; K105-F285 WeakPolarHBondContact CD-O 3.2Å; K105-F285 WeakPolarHBondContact CE-O 3.31Å; K105-F285 HydrophobicContact CG-CD1 4.31Å; K105-F285 HydrophobicContact CG-CE1 3.88Å; K105-F285 HydrophobicContact CG-CZ 4.21Å; K105-F285 PolarHBondContact NZ-O 3.16Å; K105-F285 VanDerWaalsContact NZ-O 3.09Å; K105-F286 HydrophobicContact CG-CD1 3.79Å; K105-F286 HydrophobicContact CG-CE1 4.13Å; K105-D288 IonicContact NZ-OD1 2.63Å; K105-D288 PolarHBondContact NZ-OD1 2.96Å; K105-D288 IonicContact NZ-OD2 2.93Å; K105-D288 PolarHBondContact NZ-OD2 3.38Å; K105-V289 HydrophobicContact CD-CB 4.23Å; K105-V289 HydrophobicContact CD-CG2 4.44Å; K105-V289 HydrophobicContact CG-CB 4.22Å; K105-V289 HydrophobicContact CG-CG2 3.98Å
106S98.4Very high96.1Very high1 Ų132.6 Ų32.61%0.00719%0.188CC..Hα-helixtrans-56.7-50.8173.3177.80000112.5P102 L103 F109 Q110 T290P102-S106 WeakPolarHBondContact O-CB 3.5Å; P102-S106 PolarHBondContact O-N 2.9Å; L103-S106 WeakPolarHBondContact O-CB 3.48Å; L103-S106 PolarHBondContact O-N 3.25Å; S106-F109 PolarHBondContact O-N 2.93Å; S106-Q110 WeakPolarHBondContact O-CB 3.39Å; S106-Q110 VanDerWaalsContact O-CG 3.28Å; S106-Q110 WeakPolarHBondContact O-CG 3.48Å; S106-Q110 PolarHBondContact O-N 2.95Å; S106-Q110 PolarHBondContact OG-NE2 3.37Å; S106-T290 VanDerWaalsContact CB-O 3.26Å; S106-T290 WeakPolarHBondContact CB-O 3.32Å
107Y98.6Very high96.6Very high0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-65.4-45.9-178.8-73-17.1000112.1L87 F90 L103 I104 F109 Q110 L111 I135 I141 M196 P294L87-Y107 HydrophobicContact CD1-CD2 4.23Å; L87-Y107 HydrophobicContact CD1-CE2 4.33Å; F90-Y107 HydrophobicContact CD1-CE2 4.19Å; F90-Y107 AromaticContact CE1-CE2 3.93Å; F90-Y107 HydrophobicContact CE1-CE2 3.93Å; L103-Y107 HydrophobicContact CD1-CD1 4.17Å; L103-Y107 HydrophobicContact CD1-CD2 4.46Å; L103-Y107 HydrophobicContact CD1-CE1 3.68Å; L103-Y107 HydrophobicContact CD1-CE2 4Å; L103-Y107 HydrophobicContact CD2-CE2 4.21Å; L103-Y107 HydrophobicContact CG-CD2 4.28Å; L103-Y107 HydrophobicContact CG-CE1 4.45Å; L103-Y107 HydrophobicContact CG-CE2 3.87Å; L103-Y107 PolarHBondContact O-N 2.95Å; I104-Y107 PolarHBondContact O-N 2.9Å; Y107-F109 VanDerWaalsContact C-N 3.31Å; Y107-F109 PolarHBondContact O-N 3.32Å; Y107-Q110 PolarHBondContact O-N 2.96Å; Y107-L111 WeakPolarHBondContact O-CB 2.98Å; Y107-L111 WeakPolarHBondContact O-CG 3.25Å; Y107-L111 PolarHBondContact O-N 2.96Å; Y107-I135 HydrophobicContact CE1-CG2 4.49Å; Y107-I135 HydrophobicContact CE2-CD1 3.95Å; Y107-I135 WeakPolarHBondContact OH-CG2 3.49Å; Y107-I141 HydrophobicContact CD1-CB 3.72Å; Y107-I141 HydrophobicContact CD1-CD1 4.19Å; Y107-I141 HydrophobicContact CD1-CG2 3.63Å; Y107-I141 HydrophobicContact CD2-CD1 4.12Å; Y107-I141 HydrophobicContact CE1-CB 4.08Å; Y107-I141 HydrophobicContact CE1-CG2 4.44Å; Y107-I141 HydrophobicContact CG-CB 4.27Å; Y107-I141 HydrophobicContact CG-CD1 3.89Å; Y107-I141 HydrophobicContact CG-CG2 4.07Å; Y107-M196 HydrophobicContact CD2-SD 4.34Å; Y107-P294 WeakPolarHBondContact OH-CG 3.39Å
108L98.8Very high96.8Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-59.2-44.3177.4-175.563.5000111.4I104 L111 L112 L189 F193 M196 L262 M266 F285 F286I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 PolarHBondContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 2.59Å; L108-L112 HydrophobicContact CD1-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 4.11Å; L108-L112 WeakPolarHBondContact O-CB 3.17Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.29Å; L108-L112 PolarHBondContact O-N 3.09Å; L108-L189 HydrophobicContact CD1-CD1 4.05Å; L108-L189 HydrophobicContact CD1-CD2 3.99Å; L108-L189 HydrophobicContact CD1-CG 3.79Å; L108-F193 HydrophobicContact CD1-CB 4.05Å; L108-F193 HydrophobicContact CD1-CG 4.28Å; L108-F193 HydrophobicContact CD2-CB 4.36Å; L108-F193 HydrophobicContact CD2-CD1 3.69Å; L108-F193 HydrophobicContact CD2-CD2 3.76Å; L108-F193 HydrophobicContact CD2-CE1 3.77Å; L108-F193 HydrophobicContact CD2-CE2 3.84Å; L108-F193 HydrophobicContact CD2-CG 3.68Å; L108-F193 HydrophobicContact CD2-CZ 3.82Å; L108-M196 HydrophobicContact CB-CE 4.45Å; L108-L262 HydrophobicContact CD2-CD2 3.88Å; L108-M266 HydrophobicContact CD1-CE 4.27Å; L108-F285 HydrophobicContact CD2-CD1 4.48Å; L108-F285 HydrophobicContact CD2-CE1 4.09Å; L108-F286 HydrophobicContact CB-CE1 4.25Å; L108-F286 HydrophobicContact CB-CZ 4.32Å; L108-F286 HydrophobicContact CD2-CE1 4.15Å; L108-F286 HydrophobicContact CD2-CZ 3.68Å; L108-F286 HydrophobicContact CG-CE1 4.23Å; L108-F286 HydrophobicContact CG-CZ 3.81Å
109F98.8Very high96.8Very high38 Ų3821.3 Ų21.317%0.16712%0.118CC..Hα-helixtrans-59.7-49.9177.3-172.3-99.1000111.6K105 S106 Y107 L111 L112 Q113 L281 F286 V289K105-F109 VanDerWaalsContact O-CB 3.29Å; K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.9Å; S106-F109 PolarHBondContact O-N 2.93Å; Y107-F109 VanDerWaalsContact C-N 3.31Å; Y107-F109 PolarHBondContact O-N 3.32Å; F109-L111 PolarHBondContact O-N 2.98Å; F109-L112 PolarHBondContact O-N 3.22Å; F109-Q113 HydrophobicContact CD1-CG 4.22Å; F109-Q113 VanDerWaalsContact CE1-CD 3.42Å; F109-Q113 HydrophobicContact CE1-CG 4.04Å; F109-Q113 WeakPolarHBondContact O-CG 3.3Å; F109-Q113 PolarHBondContact O-N 3.03Å; F109-L281 HydrophobicContact CD2-CD2 3.66Å; F109-L281 HydrophobicContact CE2-CD2 3.6Å; F109-L281 HydrophobicContact CG-CD2 4.19Å; F109-L281 HydrophobicContact CZ-CD2 4.08Å; F109-F286 HydrophobicContact CB-CD1 3.88Å; F109-F286 HydrophobicContact CB-CE1 3.82Å; F109-F286 HydrophobicContact CD2-CB 3.9Å; F109-F286 AromaticContact CD2-CD1 3.69Å; F109-F286 HydrophobicContact CD2-CD1 3.69Å; F109-F286 HydrophobicContact CD2-CD2 4.14Å; F109-F286 HydrophobicContact CD2-CE1 4.22Å; F109-F286 AromaticContact CD2-CG 3.65Å; F109-F286 HydrophobicContact CD2-CG 3.65Å; F109-F286 HydrophobicContact CE2-CB 4.17Å; F109-F286 HydrophobicContact CE2-CG 4.32Å; F109-F286 HydrophobicContact CG-CD1 4.24Å; F109-V289 HydrophobicContact CB-CG2 4.04Å; F109-V289 HydrophobicContact CD2-CG1 4.29Å; F109-V289 HydrophobicContact CE2-CG1 4.35Å; F109-V289 HydrophobicContact CG-CG1 4.38Å; F109-V289 HydrophobicContact CG-CG2 4.21Å; F109-V289 HydrophobicContact CZ-CG1 4.49Å
110Q98.8Very high96.7Very high8 Ų824.6 Ų24.64%0.03714%0.142CC..Hα-helixtrans-59.3-42.3177.8-78.6-174.376.200113.1N62 S106 Y107 Q113 G114 G139 I141N62-Q110 WeakPolarHBondContact CB-O 3.38Å; N62-Q110 VanDerWaalsContact ND2-CB 3.33Å; N62-Q110 WeakPolarHBondContact ND2-CB 3.4Å; N62-Q110 PolarHBondContact ND2-OE1 2.92Å; N62-Q110 PolarHBondContact OD1-O 2.97Å; S106-Q110 WeakPolarHBondContact O-CB 3.39Å; S106-Q110 VanDerWaalsContact O-CG 3.28Å; S106-Q110 WeakPolarHBondContact O-CG 3.48Å; S106-Q110 PolarHBondContact O-N 2.95Å; S106-Q110 PolarHBondContact OG-NE2 3.37Å; Y107-Q110 PolarHBondContact O-N 2.96Å; Q110-Q113 WeakPolarHBondContact O-CB 3.25Å; Q110-Q113 PolarHBondContact O-N 3.37Å; Q110-G114 PolarHBondContact O-N 2.94Å; Q110-G139 PolarHBondContact NE2-O 2.91Å; Q110-I141 HydrophobicContact CB-CG2 3.55Å; Q110-I141 HydrophobicContact CG-CG2 4.42Å
111L98.7Very high96.3Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-66.1-40.7176.7-67.5169.4000111.7Y107 L108 F109 Q113 G114 L115 L133 I141 L143 L189Y107-L111 WeakPolarHBondContact O-CB 2.98Å; Y107-L111 WeakPolarHBondContact O-CG 3.25Å; Y107-L111 PolarHBondContact O-N 2.96Å; L108-L111 PolarHBondContact O-N 2.59Å; F109-L111 PolarHBondContact O-N 2.98Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.03Å; L111-G114 PolarHBondContact O-N 3.38Å; L111-L115 WeakPolarHBondContact O-CG 3.14Å; L111-L115 PolarHBondContact O-N 3.3Å; L111-L133 HydrophobicContact CD1-CD1 3.68Å; L111-L133 HydrophobicContact CD2-CD1 4.12Å; L111-L133 HydrophobicContact CD2-CD2 3.57Å; L111-L133 HydrophobicContact CD2-CG 4.3Å; L111-I141 HydrophobicContact CD1-CD1 4.11Å; L111-I141 HydrophobicContact CD2-CD1 4.29Å; L111-I141 HydrophobicContact CD2-CG1 4.07Å; L111-I141 HydrophobicContact CD2-CG2 4.18Å; L111-I141 HydrophobicContact CG-CD1 4.36Å; L111-I141 HydrophobicContact CG-CG1 4.49Å; L111-I141 HydrophobicContact CG-CG2 3.98Å; L111-L143 HydrophobicContact CD2-CD2 3.72Å; L111-L143 HydrophobicContact CD2-CG 4.12Å; L111-L189 HydrophobicContact CB-CD1 3.96Å; L111-L189 HydrophobicContact CB-CD2 4.07Å; L111-L189 HydrophobicContact CD1-CD1 3.63Å; L111-L189 HydrophobicContact CG-CD1 4.41Å
112L98.8Very high95.9Very high0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-63.7-37.4173.7-73.6168.9000112L108 F109 L115 A116 L189 M266 A277 A280 L281 F286L108-L112 HydrophobicContact CD1-CD1 4.49Å; L108-L112 HydrophobicContact CG-CD1 4.11Å; L108-L112 WeakPolarHBondContact O-CB 3.17Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.29Å; L108-L112 PolarHBondContact O-N 3.09Å; F109-L112 PolarHBondContact O-N 3.22Å; L112-L115 PolarHBondContact O-N 3.32Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.2Å; L112-A116 PolarHBondContact O-N 3.48Å; L112-L189 HydrophobicContact CD2-CD2 3.7Å; L112-L189 HydrophobicContact CG-CD2 3.9Å; L112-M266 HydrophobicContact CD2-CE 4.47Å; L112-A277 HydrophobicContact CD2-CB 4.24Å; L112-A280 HydrophobicContact CD1-CB 3.81Å; L112-A280 HydrophobicContact CD2-CB 3.84Å; L112-A280 HydrophobicContact CG-CB 4.46Å; L112-L281 HydrophobicContact CB-CD2 3.62Å; L112-L281 HydrophobicContact CB-CG 3.91Å; L112-F286 HydrophobicContact CD1-CE2 3.61Å; L112-F286 HydrophobicContact CD1-CZ 3.56Å
113Q98.6Very high95.3Very high53 Ų5331.7 Ų31.725%0.24815%0.153CC..Hα-helixtrans-61.1-46.9173.1-68-177.6-65.800111.1F109 Q110 L111 A116 F117 L281F109-Q113 HydrophobicContact CD1-CG 4.22Å; F109-Q113 VanDerWaalsContact CE1-CD 3.42Å; F109-Q113 HydrophobicContact CE1-CG 4.04Å; F109-Q113 WeakPolarHBondContact O-CG 3.3Å; F109-Q113 PolarHBondContact O-N 3.03Å; Q110-Q113 WeakPolarHBondContact O-CB 3.25Å; Q110-Q113 PolarHBondContact O-N 3.37Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.03Å; Q113-A116 PolarHBondContact O-N 3.39Å; Q113-F117 PolarHBondContact O-N 3.42Å; Q113-F117 VanDerWaalsContact O-N 3.08Å; Q113-L281 HydrophobicContact CG-CD1 4.22Å; Q113-L281 HydrophobicContact CG-CD2 3.67Å
114G97.4Very high94.7Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-60-46.6175.500000112.9Q110 L111 F117 C118Q110-G114 PolarHBondContact O-N 2.94Å; L111-G114 PolarHBondContact O-N 3.38Å; G114-F117 WeakPolarHBondContact O-CB 3.45Å; G114-F117 PolarHBondContact O-N 2.88Å; G114-C118 PolarHBondContact O-N 3.49Å; G114-C118 PolarHBondContact O-SG 2.92Å; G114-C118 VanDerWaalsContact O-SG 3.32Å
115L96.4Very high94.2Very high0 Ų032.9 Ų32.90%016%0.158CC..Hα-helixtrans-66.3-41.3178.2-72.9-179.2000112.5L111 L112 F117 C118 H119 H125 L128 L143 D185 I186 L189 A277L111-L115 WeakPolarHBondContact O-CG 3.14Å; L111-L115 PolarHBondContact O-N 3.3Å; L112-L115 PolarHBondContact O-N 3.32Å; L115-F117 VanDerWaalsContact C-N 3.27Å; L115-F117 PolarHBondContact O-N 2.78Å; L115-C118 PolarHBondContact O-N 3.38Å; L115-H119 VanDerWaalsContact O-CB 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.45Å; L115-H119 PolarHBondContact O-CD2 3.24Å; L115-H119 PolarHBondContact O-N 3.07Å; L115-H125 HydrophobicContact CD2-CB 4.49Å; L115-L128 HydrophobicContact CD1-CD1 3.93Å; L115-L128 HydrophobicContact CD2-CD1 4.08Å; L115-L143 HydrophobicContact CD2-CD1 3.94Å; L115-L143 HydrophobicContact CD2-CD2 4.45Å; L115-L143 HydrophobicContact CG-CD1 4.02Å; L115-D185 HydrophobicContact CD1-CB 4.24Å; L115-D185 HydrophobicContact CD2-CB 4.13Å; L115-I186 HydrophobicContact CD1-CD1 4.46Å; L115-L189 HydrophobicContact CD1-CB 4.34Å; L115-L189 HydrophobicContact CD1-CD2 3.68Å; L115-A277 HydrophobicContact CB-CB 3.98Å
116A97.6Very high93.5Very high21 Ų2135.8 Ų35.817%0.17417%0.169CC..Hα-helixtrans-58.9-41.9176.400000111.2L112 Q113 S120 A277 L281L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.2Å; L112-A116 PolarHBondContact O-N 3.48Å; Q113-A116 PolarHBondContact O-N 3.39Å; A116-S120 WeakPolarHBondContact O-CB 3.18Å; A116-S120 PolarHBondContact O-N 2.88Å; A116-S120 PolarHBondContact O-OG 2.89Å; A116-A277 HydrophobicContact CB-CB 3.93Å; A116-L281 HydrophobicContact CB-CD1 4.01Å
117F95.4Very high92.8Very high44 Ų4437.3 Ų37.319%0.19318%0.177CC..Hα-helixtrans-60.4-52.9173.2179.4-90.7000111.3L58 H60 I63 Q113 G114 L115 H119 S120 H121L58-F117 HydrophobicContact CB-CE1 4.44Å; L58-F117 HydrophobicContact CD2-CD1 4.48Å; L58-F117 HydrophobicContact CD2-CE1 3.83Å; H60-F117 HydrophobicContact CB-CB 4.49Å; H60-F117 HydrophobicContact CB-CD1 3.92Å; H60-F117 HydrophobicContact CB-CD2 4.35Å; H60-F117 HydrophobicContact CB-CE1 4.18Å; H60-F117 HydrophobicContact CB-CG 3.99Å; H60-F117 AromaticContact CD2-CD2 3.83Å; H60-F117 AromaticContact CD2-CG 3.79Å; H60-F117 AromaticContact CG-CG 3.99Å; I63-F117 HydrophobicContact CD1-CD1 3.45Å; I63-F117 VanDerWaalsContact CD1-CD1 3.45Å; I63-F117 HydrophobicContact CD1-CE1 4.01Å; I63-F117 HydrophobicContact CD1-CG 4.38Å; Q113-F117 PolarHBondContact O-N 3.42Å; Q113-F117 VanDerWaalsContact O-N 3.08Å; G114-F117 WeakPolarHBondContact O-CB 3.45Å; G114-F117 PolarHBondContact O-N 2.88Å; L115-F117 VanDerWaalsContact C-N 3.27Å; L115-F117 PolarHBondContact O-N 2.78Å; F117-H119 PolarHBondContact O-N 2.74Å; F117-S120 PolarHBondContact O-N 3.31Å; F117-S120 PolarHBondContact O-OG 3.37Å; F117-H121 AromaticContact CD2-CE1 3.76Å; F117-H121 AromaticContact CE1-ND1 3.97Å; F117-H121 AromaticContact CE2-CE1 3.34Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.31Å; F117-H121 AromaticContact CE2-ND1 3.94Å; F117-H121 AromaticContact CZ-CE1 3.51Å; F117-H121 AromaticContact CZ-ND1 3.89Å; F117-H121 AromaticContact CZ-NE2 3.99Å; F117-H121 PolarHBondContact O-N 2.85Å; F117-H121 PolarHBondContact O-ND1 2.93Å
118C91.4Very high92.5Very high0 Ų037.5 Ų37.50%018%0.178CC..Hα-helixtrans-57.7-46.8178.8-67.90000113I63 G114 L115 S120 H121 R122 V123 F146I63-C118 WeakPolarHBondContact CD1-SG 3.42Å; G114-C118 PolarHBondContact O-N 3.49Å; G114-C118 PolarHBondContact O-SG 2.92Å; G114-C118 VanDerWaalsContact O-SG 3.32Å; L115-C118 PolarHBondContact O-N 3.38Å; C118-S120 VanDerWaalsContact C-N 3.3Å; C118-S120 PolarHBondContact O-N 2.76Å; C118-H121 CarbonylContact O-C 3.58Å; C118-H121 WeakPolarHBondContact O-CA 3.42Å; C118-H121 PolarHBondContact O-N 3.27Å; C118-R122 PolarHBondContact O-N 3.26Å; C118-V123 CarbonylContact C-O 3.51Å; C118-V123 HydrophobicContact CB-CB 4.18Å; C118-V123 HydrophobicContact CB-CG1 4.46Å; C118-V123 PolarHBondContact O-N 2.84Å; C118-F146 HydrophobicContact CB-CE1 4.08Å; C118-F146 HydrophobicContact CB-CZ 4.49Å; C118-F146 WeakPolarHBondContact SG-CE1 3.37Å; C118-F146 WeakPolarHBondContact SG-CZ 3.02Å
119H91.7Very high92.2Very high29 Ų2938.6 Ų38.613%0.13418%0.183CC..Hα-helixtrans-63.4-36.9-178.2-67.9178.1000111.5L115 F117 H121 R122 V123 T182 D185L115-H119 VanDerWaalsContact O-CB 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.45Å; L115-H119 PolarHBondContact O-CD2 3.24Å; L115-H119 PolarHBondContact O-N 3.07Å; F117-H119 PolarHBondContact O-N 2.74Å; H119-H121 PolarHBondContact O-N 3.28Å; H119-R122 PolarHBondContact O-N 2.9Å; H119-R122 VanDerWaalsContact O-N 3.13Å; H119-V123 PolarHBondContact CD2-O 3.33Å; H119-T182 HydrophobicContact CB-CG2 3.75Å; H119-T182 PolarHBondContact CE1-O 2.83Å; H119-T182 VanDerWaalsContact CG-CG2 3.47Å; H119-D185 IonicContact CD2-OD2 2.63Å; H119-D185 IonicContact CE1-OD2 2.59Å; H119-D185 IonicContact NE2-OD2 3.76Å; H119-D185 PolarHBondContact NE2-OD2 3.23Å
120S91.9Very high92Very high85 Ų8536.8 Ų36.859%0.59418%0.175SC*.Hα-helixtrans-66.3-25.4173.571.70000113.7A116 F117 C118A116-S120 WeakPolarHBondContact O-CB 3.18Å; A116-S120 PolarHBondContact O-N 2.88Å; A116-S120 PolarHBondContact O-OG 2.89Å; F117-S120 PolarHBondContact O-N 3.31Å; F117-S120 PolarHBondContact O-OG 3.37Å; C118-S120 VanDerWaalsContact C-N 3.3Å; C118-S120 PolarHBondContact O-N 2.76Å
121H87.2Confident91.7Very high103 Ų10339.3 Ų39.348%0.47719%0.187SC..THydrogen-bonded Turntrans-94.913.5174.7-65.379.1000112.9F117 C118 H119 V123F117-H121 AromaticContact CD2-CE1 3.76Å; F117-H121 AromaticContact CE1-ND1 3.97Å; F117-H121 AromaticContact CE2-CE1 3.34Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.31Å; F117-H121 AromaticContact CE2-ND1 3.94Å; F117-H121 AromaticContact CZ-CE1 3.51Å; F117-H121 AromaticContact CZ-ND1 3.89Å; F117-H121 AromaticContact CZ-NE2 3.99Å; F117-H121 PolarHBondContact O-N 2.85Å; F117-H121 PolarHBondContact O-ND1 2.93Å; C118-H121 CarbonylContact O-C 3.58Å; C118-H121 WeakPolarHBondContact O-CA 3.42Å; C118-H121 PolarHBondContact O-N 3.27Å; H119-H121 PolarHBondContact O-N 3.28Å; H121-V123 HydrophobicContact CB-CG2 4.43Å; H121-V123 PolarHBondContact O-N 2.91Å
122R85.4Confident91.5Very high224 Ų22440 Ų4085%0.84519%0.19SC*.THydrogen-bonded Turntrans58.629.5-179.1-52.4177.9-179.6179.5-0.5113.5C118 H119C118-R122 PolarHBondContact O-N 3.26Å; H119-R122 PolarHBondContact O-N 2.9Å; H119-R122 VanDerWaalsContact O-N 3.13Å
123V83.6Confident91.3Very high32 Ų3240 Ų4019%0.19419%0.19CC..  trans-101.9128.8174.6178.70000109.2L58 C118 H119 H121 F146L58-V123 HydrophobicContact CD1-CG1 4.3Å; L58-V123 HydrophobicContact CD2-CG2 4.24Å; C118-V123 CarbonylContact C-O 3.51Å; C118-V123 HydrophobicContact CB-CB 4.18Å; C118-V123 HydrophobicContact CB-CG1 4.46Å; C118-V123 PolarHBondContact O-N 2.84Å; H119-V123 PolarHBondContact CD2-O 3.33Å; H121-V123 HydrophobicContact CB-CG2 4.43Å; H121-V123 PolarHBondContact O-N 2.91Å; V123-F146 HydrophobicContact CG1-CD1 3.93Å; V123-F146 HydrophobicContact CG1-CE1 4.39Å
124L84.3Confident91.2Very high33 Ų3339.5 Ų39.517%0.17319%0.189CC..  trans-108.2141.7173.4-60.5178.4000109.3R126 T182L124-R126 HydrophobicContact CB-CG 3.87Å; L124-T182 VanDerWaalsContact CD2-CA 3.48Å; L124-T182 HydrophobicContact CD2-CG2 3.61Å
125H87.4Confident91.2Very high7 Ų739.5 Ų39.53%0.03219%0.189CC..  trans-80.2-49.6178.1-171.1-71.2000112L115 D127 L128 A144 F146 D185L115-H125 HydrophobicContact CD2-CB 4.49Å; H125-D127 VanDerWaalsContact CE1-C 3.42Å; H125-D127 PolarHBondContact CE1-O 2.64Å; H125-D127 VanDerWaalsContact ND1-C 3.25Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 PolarHBondContact O-N 2.76Å; H125-L128 HydrophobicContact CB-CD2 4.07Å; H125-L128 HydrophobicContact CB-CG 3.93Å; H125-L128 VanDerWaalsContact CG-CD2 3.48Å; H125-L128 PolarHBondContact ND1-N 3.24Å; H125-A144 PolarHBondContact NE2-O 2.96Å; H125-F146 HydrophobicContact CB-CD1 4.31Å; H125-F146 HydrophobicContact CB-CE1 4.02Å; H125-F146 AromaticContact CD2-CD1 3.79Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.87Å; H125-D185 WeakPolarHBondContact CB-OD1 3.5Å; H125-D185 PolarHBondContact N-OD1 3.41Å; H125-D185 PolarHBondContact N-OD2 3.17Å
126R84Confident91.1Very high74 Ų7440.6 Ų40.628%0.27920%0.195SC..  trans66.8-16.4176-54.2178.9175.5177.5-3.8117.7L124 D185L124-R126 HydrophobicContact CB-CG 3.87Å; R126-D185 PolarHBondContact N-OD1 2.61Å
127D84.1Confident90.9Very high32 Ų3241.9 Ų41.917%0.17120%0.201CC..  trans-128.244.3176.6-172.538000111.8H125 K129 N132 T165H125-D127 VanDerWaalsContact CE1-C 3.42Å; H125-D127 PolarHBondContact CE1-O 2.64Å; H125-D127 VanDerWaalsContact ND1-C 3.25Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 PolarHBondContact O-N 2.76Å; D127-K129 VanDerWaalsContact CG-NZ 3.29Å; D127-K129 PolarHBondContact O-N 2.8Å; D127-K129 IonicContact OD1-NZ 2.83Å; D127-K129 PolarHBondContact OD1-NZ 3.03Å; D127-K129 WeakPolarHBondContact OD2-CE 3.19Å; D127-K129 IonicContact OD2-NZ 2.79Å; D127-K129 PolarHBondContact OD2-NZ 2.79Å; D127-N132 PolarHBondContact O-ND2 3.24Å; D127-N132 PolarHBondContact OD2-ND2 3.14Å; D127-T165 WeakPolarHBondContact OD1-CG2 3.49Å
128L91.8Very high90.8Very high4 Ų445.5 Ų45.52%0.02122%0.218CC..  trans-70.3123.2178-76.7177.5000110.2L115 H125 L133 L143 Y168 D185 L189 I192L115-L128 HydrophobicContact CD1-CD1 3.93Å; L115-L128 HydrophobicContact CD2-CD1 4.08Å; H125-L128 HydrophobicContact CB-CD2 4.07Å; H125-L128 HydrophobicContact CB-CG 3.93Å; H125-L128 VanDerWaalsContact CG-CD2 3.48Å; H125-L128 PolarHBondContact ND1-N 3.24Å; L128-L133 HydrophobicContact CD2-CD2 4.23Å; L128-L143 HydrophobicContact CD2-CD2 3.61Å; L128-Y168 WeakPolarHBondContact O-CB 3.49Å; L128-D185 HydrophobicContact CD1-CB 3.79Å; L128-D185 VanDerWaalsContact CD1-O 3.29Å; L128-D185 WeakPolarHBondContact CD1-O 3.49Å; L128-L189 HydrophobicContact CD1-CB 4.46Å; L128-I192 HydrophobicContact CB-CD1 4.23Å
129K92.6Very high90.9Very high23 Ų2345.8 Ų45.810%0.122%0.221CC..  trans-157.1157.9174.959.2-169.7175.8-137.80109.3D127 Q131 N132 T165 Y168D127-K129 VanDerWaalsContact CG-NZ 3.29Å; D127-K129 PolarHBondContact O-N 2.8Å; D127-K129 IonicContact OD1-NZ 2.83Å; D127-K129 PolarHBondContact OD1-NZ 3.03Å; D127-K129 WeakPolarHBondContact OD2-CE 3.19Å; D127-K129 IonicContact OD2-NZ 2.79Å; D127-K129 PolarHBondContact OD2-NZ 2.79Å; K129-Q131 HydrophobicContact CG-CB 4.36Å; K129-Q131 PolarHBondContact O-N 3.01Å; K129-N132 HydrophobicContact CG-CB 4.3Å; K129-N132 PolarHBondContact O-N 3.44Å; K129-T165 PolarHBondContact NZ-OG1 3.26Å; K129-T165 VanDerWaalsContact NZ-OG1 3.16Å; K129-Y168 HydrophobicContact CB-CD2 3.67Å; K129-Y168 HydrophobicContact CB-CE2 3.66Å; K129-Y168 HydrophobicContact CB-CG 4.42Å
130P95.5Very high91.1Very high0 Ų045.5 Ų45.50%022%0.224CC..G310 helixtrans-55.3-28.3-177.1-27.836.2000114.7L87 K88 M91 N132 L133 Y168 I192L87-P130 HydrophobicContact CB-CB 4.13Å; L87-P130 WeakPolarHBondContact CB-O 3.35Å; L87-P130 HydrophobicContact CD2-CB 4.22Å; L87-P130 HydrophobicContact CG-CB 4.23Å; L87-P130 PolarHBondContact N-O 2.98Å; K88-P130 HydrophobicContact CB-CB 3.96Å; K88-P130 PolarHBondContact N-O 3.43Å; M91-P130 HydrophobicContact CE-CB 3.59Å; M91-P130 HydrophobicContact CE-CG 3.65Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 2.91Å; P130-L133 PolarHBondContact O-N 3.5Å; P130-Y168 WeakPolarHBondContact CD-OH 3.33Å; P130-Y168 HydrophobicContact CG-CE1 4.17Å; P130-Y168 WeakPolarHBondContact CG-OH 3.42Å; P130-I192 HydrophobicContact CG-CG1 4.29Å
131Q92.4Very high91.4Very high62 Ų6241.4 Ų41.429%0.2920%0.195SC..G310 helixtrans-68.3-24.2176.3-6083.8-6.800113.4K88 K129K88-Q131 HydrophobicContact CB-CG 4.04Å; K88-Q131 HydrophobicContact CG-CG 4.46Å; K129-Q131 HydrophobicContact CG-CB 4.36Å; K129-Q131 PolarHBondContact O-N 3.01Å
132N93Very high91.9Very high13 Ų1337.7 Ų37.77%0.0718%0.178CC..G310 helixtrans-95.56.9178.6-69.1-12.2000112.3D127 K129 P130 A144D127-N132 PolarHBondContact O-ND2 3.24Å; D127-N132 PolarHBondContact OD2-ND2 3.14Å; K129-N132 HydrophobicContact CG-CB 4.3Å; K129-N132 PolarHBondContact O-N 3.44Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 2.91Å; N132-A144 WeakPolarHBondContact O-CB 3.48Å; N132-A144 PolarHBondContact O-N 3.12Å
133L96.6Very high92.4Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-110.3109.1176.9-56.5-174.9000108.6D86 L87 L111 L128 P130 I141 L143 I192D86-L133 CarbonylContact C-O 3.37Å; D86-L133 WeakPolarHBondContact CA-O 3.39Å; L87-L133 HydrophobicContact CB-CB 3.9Å; L87-L133 HydrophobicContact CD2-CB 4.38Å; L87-L133 HydrophobicContact CD2-CD1 3.64Å; L87-L133 PolarHBondContact N-O 3.4Å; L111-L133 HydrophobicContact CD1-CD1 3.68Å; L111-L133 HydrophobicContact CD2-CD1 4.12Å; L111-L133 HydrophobicContact CD2-CD2 3.57Å; L111-L133 HydrophobicContact CD2-CG 4.3Å; L128-L133 HydrophobicContact CD2-CD2 4.23Å; P130-L133 PolarHBondContact O-N 3.5Å; L133-I141 HydrophobicContact CB-CD1 4.14Å; L133-I141 HydrophobicContact CB-CG1 4.34Å; L133-L143 HydrophobicContact CD2-CD2 3.59Å; L133-I192 HydrophobicContact CD1-CD1 4.05Å; L133-I192 HydrophobicContact CD1-CG2 3.94Å
134L96.4Very high92.7Very high43 Ų4325.8 Ų25.823%0.22513%0.131CC..EExtended strand (participates in β ladder)trans-103.2142.1-172.2-57.4-173.4000111.3V64 L83 Q85 D86 I141 K142 A144V64-L134 HydrophobicContact CG2-CD1 4.14Å; L83-L134 HydrophobicContact CB-CB 3.68Å; L83-L134 HydrophobicContact CB-CD1 4.24Å; L83-L134 HydrophobicContact CD1-CB 4.1Å; L83-L134 HydrophobicContact CD1-CD1 4.12Å; L83-L134 HydrophobicContact CD2-CB 3.74Å; L83-L134 WeakPolarHBondContact CD2-O 3.2Å; L83-L134 HydrophobicContact CG-CB 4.04Å; Q85-L134 CarbonylContact O-C 3.6Å; D86-L134 HydrophobicContact CB-CD2 3.74Å; L134-I141 CarbonylContact O-C 3.37Å; L134-I141 VanDerWaalsContact O-CA 3.31Å; L134-I141 WeakPolarHBondContact O-CA 3.42Å; L134-K142 PolarHBondContact N-O 3.42Å; L134-K142 PolarHBondContact O-N 3.15Å; L134-A144 HydrophobicContact CD1-CB 3.73Å; L134-A144 HydrophobicContact CG-CB 3.8Å
135I97.2Very high92.5Very high0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-122137.4-172.8-55.2169.7000108.9H84 Q85 L87 F90 Y107 A140 I141 P294 L296H84-I135 PolarHBondContact N-O 2.75Å; Q85-I135 PolarHBondContact N-O 2.77Å; Q85-I135 PolarHBondContact O-N 3.36Å; L87-I135 HydrophobicContact CB-CD1 4.28Å; L87-I135 HydrophobicContact CD1-CD1 3.95Å; F90-I135 HydrophobicContact CB-CD1 3.83Å; F90-I135 HydrophobicContact CD1-CD1 4.11Å; F90-I135 HydrophobicContact CG-CD1 3.92Å; Y107-I135 HydrophobicContact CE1-CG2 4.49Å; Y107-I135 HydrophobicContact CE2-CD1 3.95Å; Y107-I135 WeakPolarHBondContact OH-CG2 3.49Å; I135-A140 WeakPolarHBondContact CA-O 3.43Å; I135-I141 HydrophobicContact CD1-CD1 4.34Å; I135-I141 HydrophobicContact CG1-CB 4.37Å; I135-I141 HydrophobicContact CG1-CD1 4Å; I135-I141 HydrophobicContact CG1-CG1 3.93Å; I135-P294 HydrophobicContact CG2-CG 4.44Å; I135-L296 HydrophobicContact CG2-CD1 4.44Å; I135-L296 HydrophobicContact CG2-CD2 4.08Å
136N94.2Very high91.7Very high24 Ų2427 Ų2713%0.12814%0.137CC..  trans-106172.7171.672.62.3000112.3L83 E138 G139 A140 L296L83-N136 HydrophobicContact CD2-CB 4.3Å; N136-E138 WeakPolarHBondContact CB-OE2 3.24Å; N136-E138 PolarHBondContact ND2-OE2 3.48Å; N136-E138 PolarHBondContact O-N 2.87Å; N136-E138 PolarHBondContact OD1-N 3.21Å; N136-E138 PolarHBondContact OD1-OE2 3.11Å; N136-G139 PolarHBondContact O-N 3.14Å; N136-G139 VanDerWaalsContact O-N 3.17Å; N136-G139 PolarHBondContact OD1-N 3.37Å; N136-A140 PolarHBondContact N-O 3.45Å; N136-A140 VanDerWaalsContact N-O 3.08Å; N136-A140 WeakPolarHBondContact OD1-CA 3.5Å; N136-A140 VanDerWaalsContact OD1-CB 3.31Å; N136-A140 WeakPolarHBondContact OD1-CB 3.48Å; N136-A140 PolarHBondContact OD1-N 3.46Å; N136-A140 PolarHBondContact OD1-O 2.88Å; N136-L296 WeakPolarHBondContact O-CD1 3.18Å
137T93Very high90.4Very high47 Ų4724.5 Ų24.529%0.28813%0.134SC..THydrogen-bonded Turntrans-64.3-21-178.633.40000113.6H84 G139 V293 L296 L298H84-T137 PolarHBondContact CE1-OG1 2.79Å; T137-G139 VanDerWaalsContact C-N 3.33Å; T137-V293 VanDerWaalsContact O-CG1 3.32Å; T137-V293 WeakPolarHBondContact O-CG1 3.14Å; T137-L296 HydrophobicContact CG2-CD1 4.19Å; T137-L298 HydrophobicContact CG2-CD1 3.68Å
138E93.1Very high89.2Confident121 Ų12123.1 Ų23.157%0.56513%0.127SC*.THydrogen-bonded Turntrans-88.50.3179.5-57.270.1-139.100112.8N136N136-E138 WeakPolarHBondContact CB-OE2 3.24Å; N136-E138 PolarHBondContact ND2-OE2 3.48Å; N136-E138 PolarHBondContact O-N 2.87Å; N136-E138 PolarHBondContact OD1-N 3.21Å; N136-E138 PolarHBondContact OD1-OE2 3.11Å
139G92.6Very high87.3Confident5 Ų524.2 Ų24.25%0.05214%0.137CC..SBendtrans81.113.9179.900000115.3Q110 N136 T137Q110-G139 PolarHBondContact NE2-O 2.91Å; N136-G139 PolarHBondContact O-N 3.14Å; N136-G139 VanDerWaalsContact O-N 3.17Å; N136-G139 PolarHBondContact OD1-N 3.37Å; T137-G139 VanDerWaalsContact C-N 3.33Å
140A96.6Very high85.5Confident23 Ų2329.7 Ų29.719%0.1916%0.157CC..  trans-76.7134.9167.600000110.1I135 N136I135-A140 WeakPolarHBondContact CA-O 3.43Å; N136-A140 PolarHBondContact N-O 3.45Å; N136-A140 VanDerWaalsContact N-O 3.08Å; N136-A140 WeakPolarHBondContact OD1-CA 3.5Å; N136-A140 VanDerWaalsContact OD1-CB 3.31Å; N136-A140 WeakPolarHBondContact OD1-CB 3.48Å; N136-A140 PolarHBondContact OD1-N 3.46Å; N136-A140 PolarHBondContact OD1-O 2.88Å
141I98.2Very high83.5Confident0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-111.6135.7169.5-166.9166000109.7N62 L87 Y107 Q110 L111 L133 L134 I135N62-I141 PolarHBondContact ND2-O 3.08Å; L87-I141 HydrophobicContact CD1-CD1 4.34Å; L87-I141 HydrophobicContact CD2-CD1 4.44Å; Y107-I141 HydrophobicContact CD1-CB 3.72Å; Y107-I141 HydrophobicContact CD1-CD1 4.19Å; Y107-I141 HydrophobicContact CD1-CG2 3.63Å; Y107-I141 HydrophobicContact CD2-CD1 4.12Å; Y107-I141 HydrophobicContact CE1-CB 4.08Å; Y107-I141 HydrophobicContact CE1-CG2 4.44Å; Y107-I141 HydrophobicContact CG-CB 4.27Å; Y107-I141 HydrophobicContact CG-CD1 3.89Å; Y107-I141 HydrophobicContact CG-CG2 4.07Å; Q110-I141 HydrophobicContact CB-CG2 3.55Å; Q110-I141 HydrophobicContact CG-CG2 4.42Å; L111-I141 HydrophobicContact CD1-CD1 4.11Å; L111-I141 HydrophobicContact CD2-CD1 4.29Å; L111-I141 HydrophobicContact CD2-CG1 4.07Å; L111-I141 HydrophobicContact CD2-CG2 4.18Å; L111-I141 HydrophobicContact CG-CD1 4.36Å; L111-I141 HydrophobicContact CG-CG1 4.49Å; L111-I141 HydrophobicContact CG-CG2 3.98Å; L133-I141 HydrophobicContact CB-CD1 4.14Å; L133-I141 HydrophobicContact CB-CG1 4.34Å; L134-I141 CarbonylContact O-C 3.37Å; L134-I141 VanDerWaalsContact O-CA 3.31Å; L134-I141 WeakPolarHBondContact O-CA 3.42Å; I135-I141 HydrophobicContact CD1-CD1 4.34Å; I135-I141 HydrophobicContact CG1-CB 4.37Å; I135-I141 HydrophobicContact CG1-CD1 4Å; I135-I141 HydrophobicContact CG1-CG1 3.93Å
142K97.6Very high81.5Confident24 Ų2428 Ų2810%0.10415%0.149CC..EExtended strand (participates in β ladder)trans-131.4141.3-173.5-55.7-161.9-179.4-157.40112P61 N62 V64 E81 L83 L134P61-K142 WeakPolarHBondContact O-CD 3.38Å; P61-K142 WeakPolarHBondContact O-CE 3.36Å; P61-K142 WeakPolarHBondContact O-CG 3.33Å; P61-K142 PolarHBondContact O-NZ 3Å; N62-K142 WeakPolarHBondContact O-CA 3.31Å; V64-K142 HydrophobicContact CG2-CB 3.68Å; V64-K142 HydrophobicContact CG2-CD 4.5Å; E81-K142 IonicContact OE1-NZ 2.82Å; E81-K142 PolarHBondContact OE1-NZ 3.22Å; E81-K142 WeakPolarHBondContact OE2-CE 3.28Å; E81-K142 IonicContact OE2-NZ 2.75Å; E81-K142 PolarHBondContact OE2-NZ 3.45Å; L83-K142 HydrophobicContact CD1-CD 4.43Å; L83-K142 HydrophobicContact CD2-CB 4.06Å; L83-K142 HydrophobicContact CD2-CD 3.97Å; L83-K142 HydrophobicContact CD2-CG 3.85Å; L134-K142 PolarHBondContact N-O 3.42Å; L134-K142 PolarHBondContact O-N 3.15Å
143L95.4Very high79.2Confident1 Ų130.2 Ų30.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-75.3123.2172.6-62.3165.9000109.6N62 I63 V64 L111 L115 L128 L133 F146N62-L143 PolarHBondContact O-N 2.95Å; I63-L143 HydrophobicContact CG1-CD1 4.48Å; V64-L143 WeakPolarHBondContact CG2-O 3.35Å; V64-L143 PolarHBondContact N-O 3.31Å; L111-L143 HydrophobicContact CD2-CD2 3.72Å; L111-L143 HydrophobicContact CD2-CG 4.12Å; L115-L143 HydrophobicContact CD2-CD1 3.94Å; L115-L143 HydrophobicContact CD2-CD2 4.45Å; L115-L143 HydrophobicContact CG-CD1 4.02Å; L128-L143 HydrophobicContact CD2-CD2 3.61Å; L133-L143 HydrophobicContact CD2-CD2 3.59Å; L143-F146 HydrophobicContact CB-CD2 4.44Å; L143-F146 HydrophobicContact CB-CE2 3.32Å; L143-F146 HydrophobicContact CB-CZ 3.53Å; L143-F146 HydrophobicContact CD1-CE2 4.34Å; L143-F146 HydrophobicContact CD1-CZ 3.72Å; L143-F146 HydrophobicContact CG-CE2 4.44Å; L143-F146 HydrophobicContact CG-CZ 4.21Å
144A91.3Very high76.4Confident6 Ų632.7 Ų32.75%0.0519%0.19CC..  trans-114.2167.8179.700000112V64 H125 N132 L134 F146V64-A144 HydrophobicContact CB-CB 4.31Å; V64-A144 HydrophobicContact CG2-CB 3.69Å; H125-A144 PolarHBondContact NE2-O 2.96Å; N132-A144 WeakPolarHBondContact O-CB 3.48Å; N132-A144 PolarHBondContact O-N 3.12Å; L134-A144 HydrophobicContact CD1-CB 3.73Å; L134-A144 HydrophobicContact CG-CB 3.8Å; A144-F146 VanDerWaalsContact C-N 3.31Å; A144-F146 PolarHBondContact O-N 2.7Å
145D79.3Confident73.5Confident53 Ų5335.3 Ų35.328%0.28321%0.21SC..SBendtrans61.428.1172-76.5-6.2000116.5K33 G147K33-D145 IonicContact NZ-OD1 2.7Å; K33-D145 PolarHBondContact NZ-OD1 3.14Å; K33-D145 IonicContact NZ-OD2 3.31Å; K33-D145 PolarHBondContact NZ-OD2 3.18Å; D145-G147 PolarHBondContact O-N 3.23Å
146F70.3Confident70.9Confident12 Ų1238 Ų385%0.05323%0.226CC..THydrogen-bonded Turntrans-53.5132.9170.1-79.6-83.1000113.1L55 I63 C118 V123 H125 L143 A144 L148L55-F146 HydrophobicContact CD2-CB 3.99Å; I63-F146 HydrophobicContact CB-CE2 4.33Å; I63-F146 HydrophobicContact CD1-CE2 4.47Å; I63-F146 HydrophobicContact CD1-CZ 4.43Å; I63-F146 HydrophobicContact CG1-CE2 4.03Å; I63-F146 HydrophobicContact CG1-CZ 4.25Å; I63-F146 HydrophobicContact CG2-CD2 4.04Å; I63-F146 HydrophobicContact CG2-CE2 3.69Å; C118-F146 HydrophobicContact CB-CE1 4.08Å; C118-F146 HydrophobicContact CB-CZ 4.49Å; C118-F146 WeakPolarHBondContact SG-CE1 3.37Å; C118-F146 WeakPolarHBondContact SG-CZ 3.02Å; V123-F146 HydrophobicContact CG1-CD1 3.93Å; V123-F146 HydrophobicContact CG1-CE1 4.39Å; H125-F146 HydrophobicContact CB-CD1 4.31Å; H125-F146 HydrophobicContact CB-CE1 4.02Å; H125-F146 AromaticContact CD2-CD1 3.79Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.87Å; L143-F146 HydrophobicContact CB-CD2 4.44Å; L143-F146 HydrophobicContact CB-CE2 3.32Å; L143-F146 HydrophobicContact CB-CZ 3.53Å; L143-F146 HydrophobicContact CD1-CE2 4.34Å; L143-F146 HydrophobicContact CD1-CZ 3.72Å; L143-F146 HydrophobicContact CG-CE2 4.44Å; L143-F146 HydrophobicContact CG-CZ 4.21Å; A144-F146 VanDerWaalsContact C-N 3.31Å; A144-F146 PolarHBondContact O-N 2.7Å; F146-L148 PolarHBondContact O-N 3.03Å
147G58.1Low68.5Low22 Ų2241.8 Ų41.823%0.22724%0.238CC..THydrogen-bonded Turntrans65.90.6151.600000116.8D145 A149 R150 A151D145-G147 PolarHBondContact O-N 3.23Å; G147-A149 PolarHBondContact O-N 3.25Å; G147-R150 PolarHBondContact O-N 3.47Å; G147-A151 PolarHBondContact O-N 3.48Å
148L58.6Low66Low2 Ų246.3 Ų46.31%0.0127%0.266CS..Hα-helixtrans-61.1-33.5179.3-60.3175.5000111K33 L55 L78 F146 R150 A151 F152K33-L148 HydrophobicContact CD-CD1 4.12Å; L55-L148 HydrophobicContact CD1-CD2 4.27Å; L78-L148 HydrophobicContact CD1-CD2 3.45Å; L78-L148 VanDerWaalsContact CD1-CD2 3.45Å; F146-L148 PolarHBondContact O-N 3.03Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 3.24Å; L148-A151 PolarHBondContact O-N 3.17Å; L148-F152 HydrophobicContact CB-CD2 4.31Å; L148-F152 HydrophobicContact CB-CE2 4.25Å; L148-F152 HydrophobicContact CD2-CE2 3.96Å; L148-F152 WeakPolarHBondContact O-CD2 3.03Å; L148-F152 PolarHBondContact O-N 3.03Å
149A51.6Low63.9Low28 Ų2842.9 Ų42.923%0.23125%0.248CC..Hα-helixtrans-63.7-29.1174.700000113.8Y15 G147Y15-A149 HydrophobicContact CE1-CB 4.29Å; G147-A149 PolarHBondContact O-N 3.25Å
150R54.6Low61.4Low137 Ų13745.3 Ų45.352%0.51726%0.262SS..Hα-helixtrans-86-42.2178.8-166.5-177.3134.2179.3-2.4110.8E51 G147 L148 F152 G153E51-R150 IonicContact OE1-NE 3.39Å; E51-R150 PolarHBondContact OE1-NE 3.26Å; E51-R150 IonicContact OE1-NH2 3.82Å; E51-R150 WeakPolarHBondContact OE2-CG 3.32Å; E51-R150 IonicContact OE2-NE 3.61Å; G147-R150 PolarHBondContact O-N 3.47Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 3.24Å; R150-F152 PolarHBondContact O-N 2.86Å; R150-G153 PolarHBondContact O-N 3.21Å
151A52.4Low58.8Low3 Ų351.4 Ų51.43%0.02529%0.286CS..Hα-helixtrans-61.5-44.3-177.100000112.8A48 E51 I52 G147 L148 G153A48-A151 WeakPolarHBondContact CA-O 3.15Å; A48-A151 WeakPolarHBondContact CB-O 3.35Å; E51-A151 HydrophobicContact CB-CB 3.53Å; E51-A151 WeakPolarHBondContact OE2-CA 3.46Å; E51-A151 PolarHBondContact OE2-N 3Å; I52-A151 HydrophobicContact CG1-CB 4.01Å; G147-A151 PolarHBondContact O-N 3.48Å; L148-A151 PolarHBondContact O-N 3.17Å; A151-G153 PolarHBondContact O-N 3.47Å; A151-G153 VanDerWaalsContact O-N 3.14Å
152F52Low56.6Low24 Ų2455 Ų5511%0.10530%0.303CS..THydrogen-bonded Turntrans-78.43.4-172.9-71.4-64.7000115.1I35 A48 I52 L76 L148 R150 V154I35-F152 HydrophobicContact CB-CZ 4.19Å; I35-F152 HydrophobicContact CD1-CE2 3.92Å; I35-F152 HydrophobicContact CD1-CZ 4.02Å; I35-F152 HydrophobicContact CG1-CE2 4.13Å; I35-F152 HydrophobicContact CG1-CZ 3.72Å; I35-F152 HydrophobicContact CG2-CD1 4.22Å; I35-F152 HydrophobicContact CG2-CD2 4.26Å; I35-F152 HydrophobicContact CG2-CE1 3.79Å; I35-F152 HydrophobicContact CG2-CE2 3.83Å; I35-F152 HydrophobicContact CG2-CG 4.47Å; I35-F152 HydrophobicContact CG2-CZ 3.59Å; A48-F152 HydrophobicContact CB-CD1 3.94Å; A48-F152 HydrophobicContact CB-CE1 4.2Å; I52-F152 HydrophobicContact CD1-CE1 3.7Å; I52-F152 HydrophobicContact CD1-CE2 4.27Å; I52-F152 HydrophobicContact CD1-CZ 3.38Å; I52-F152 HydrophobicContact CG1-CZ 4.2Å; L76-F152 HydrophobicContact CD2-CE1 3.36Å; L76-F152 HydrophobicContact CD2-CZ 3.54Å; L148-F152 HydrophobicContact CB-CD2 4.31Å; L148-F152 HydrophobicContact CB-CE2 4.25Å; L148-F152 HydrophobicContact CD2-CE2 3.96Å; L148-F152 WeakPolarHBondContact O-CD2 3.03Å; L148-F152 PolarHBondContact O-N 3.03Å; R150-F152 PolarHBondContact O-N 2.86Å; F152-V154 HydrophobicContact CB-CG2 3.85Å; F152-V154 PolarHBondContact O-N 3.32Å
153G44Very low54.6Low60 Ų6057.1 Ų57.162%0.61932%0.318SS*.  trans59.7-0.6-179.700000114.2R150 A151 P155R150-G153 PolarHBondContact O-N 3.21Å; A151-G153 PolarHBondContact O-N 3.47Å; A151-G153 VanDerWaalsContact O-N 3.14Å; G153-P155 WeakPolarHBondContact O-CD 3.41Å; G153-P155 VanDerWaalsContact O-N 3.08Å
154V38.1Very low52.9Low51 Ų5159.9 Ų59.931%0.30934%0.335SS..SBendtrans-49.7119.6159.4-175.50000102.9F152 V156 R157F152-V154 HydrophobicContact CB-CG2 3.85Å; F152-V154 PolarHBondContact O-N 3.32Å; V154-V156 PolarHBondContact O-N 2.8Å; V154-R157 HydrophobicContact CG1-CG 4.42Å
155P36Very low51.9Low99 Ų9960.5 Ų60.564%0.64334%0.338SS*.  trans-44.2124.9174.69.4-20.3000105.1G153 R157G153-P155 WeakPolarHBondContact O-CD 3.41Å; G153-P155 VanDerWaalsContact O-N 3.08Å; P155-R157 WeakPolarHBondContact O-CA 3.45Å; P155-R157 PolarHBondContact O-N 3.29Å
156V42.6Very low52.3Low55 Ų5558.3 Ų58.333%0.33333%0.326SS..  trans-4999.3168175.50000101.4V154 T158V154-V156 PolarHBondContact O-N 2.8Å; V156-T158 PolarHBondContact O-N 3.43Å
157R42.6Very low53.5Low105 Ų10560.6 Ų60.640%0.39633%0.334SS..  trans-51.9143.3-153.6-82163.1159.5-165.63.3105.1V154 P155 Y159 T160V154-R157 HydrophobicContact CG1-CG 4.42Å; P155-R157 WeakPolarHBondContact O-CA 3.45Å; P155-R157 PolarHBondContact O-N 3.29Å; R157-Y159 WeakPolarHBondContact O-CA 3.49Å; R157-Y159 PolarHBondContact O-N 3.4Å; R157-T160 HydrophobicContact CB-CG2 4.22Å; R157-T160 HydrophobicContact CG-CG2 4.23Å; R157-T160 PolarHBondContact NH1-OG1 3.07Å
158T41.3Very low55.3Low141 Ų14159.8 Ų59.887%0.86533%0.325SS*.SBendtrans-45.3102.2150.632.50000104.3V156 T160V156-T158 PolarHBondContact O-N 3.43Å; T158-T160 PolarHBondContact O-N 3.05Å
159Y47.8Very low57Low49 Ų4960.5 Ų60.519%0.19233%0.327CS..  trans-49.5113.8-144.7-84.7-91.4000108.5R157 H161 I173 Y180R157-Y159 WeakPolarHBondContact O-CA 3.49Å; R157-Y159 PolarHBondContact O-N 3.4Å; Y159-H161 PolarHBondContact O-N 3.18Å; Y159-I173 HydrophobicContact CD2-CG2 4.04Å; Y159-I173 HydrophobicContact CE2-CG2 3.68Å; Y159-Y180 AromaticContact CE2-CE1 3.59Å; Y159-Y180 HydrophobicContact CE2-CE1 3.59Å; Y159-Y180 AromaticContact CE2-CZ 3.76Å; Y159-Y180 WeakPolarHBondContact CE2-OH 3.44Å; Y159-Y180 AromaticContact CZ-CE1 3.77Å; Y159-Y180 WeakPolarHBondContact OH-CE1 3.48Å
160T40.7Very low59.1Low56 Ų5659.3 Ų59.334%0.34432%0.317SS..  trans-54.8135-175.135.90000108.2R157 T158 E162R157-T160 HydrophobicContact CB-CG2 4.22Å; R157-T160 HydrophobicContact CG-CG2 4.23Å; R157-T160 PolarHBondContact NH1-OG1 3.07Å; T158-T160 PolarHBondContact O-N 3.05Å; T160-E162 PolarHBondContact O-N 3.02Å
161H42.8Very low61.1Low151 Ų15152.8 Ų52.870%0.69929%0.292SS*.  trans-63.647.7-178.1-58.2-77.3000112.6Y159 V163Y159-H161 PolarHBondContact O-N 3.18Å; H161-V163 PolarHBondContact O-N 3.35Å
162E51.1Low63.1Low76 Ų7652.8 Ų52.836%0.35529%0.292SS..  trans-70.9109.4167.5-77.1-176-169.700107.9T14 T160 V164 T165 L166T14-E162 PolarHBondContact OG1-OE1 3.09Å; T160-E162 PolarHBondContact O-N 3.02Å; E162-V164 PolarHBondContact O-N 3.36Å; E162-V164 VanDerWaalsContact O-N 3.16Å; E162-T165 PolarHBondContact O-N 3.47Å; E162-T165 VanDerWaalsContact O-N 3.12Å; E162-T165 PolarHBondContact OE2-OG1 2.94Å; E162-L166 PolarHBondContact O-N 3.35Å
163V56.2Low65Low68 Ų6852.6 Ų52.641%0.41229%0.292SS..Hα-helixtrans-51.7-38.9-176.7178.80000112.3H161 L166 W167 G205H161-V163 PolarHBondContact O-N 3.35Å; V163-L166 WeakPolarHBondContact O-CB 3.39Å; V163-L166 PolarHBondContact O-N 3.49Å; V163-W167 VanDerWaalsContact O-CD1 3.26Å; V163-W167 PolarHBondContact O-NE1 3.31Å; V163-G205 WeakPolarHBondContact CG1-O 3.5Å
164V58.8Low67.3Low59 Ų5950 Ų5036%0.35826%0.264SS..Hα-helixtrans-72.4-38.9-178.1178.10000112.5E162 L166 W167 Y168E162-V164 PolarHBondContact O-N 3.36Å; E162-V164 VanDerWaalsContact O-N 3.16Å; V164-L166 PolarHBondContact O-N 2.81Å; V164-W167 PolarHBondContact O-N 3.42Å; V164-Y168 WeakPolarHBondContact O-CE2 3.4Å
165T71.1Confident70Confident19 Ų1947.6 Ų47.612%0.11725%0.249CC..Hα-helixtrans-67.1-21.6177.9-58.20000111D127 K129 E162D127-T165 WeakPolarHBondContact OD1-CG2 3.49Å; K129-T165 PolarHBondContact NZ-OG1 3.26Å; K129-T165 VanDerWaalsContact NZ-OG1 3.16Å; E162-T165 PolarHBondContact O-N 3.47Å; E162-T165 VanDerWaalsContact O-N 3.12Å; E162-T165 PolarHBondContact OE2-OG1 2.94Å
166L88.3Confident72.5Confident8 Ų843.8 Ų43.84%0.04223%0.228CC..Hα-helixtrans-67.6-33.3178.4-166.763.9000113.6E162 V163 V164 Y168 R169 L174 S207 E208 Q211E162-L166 PolarHBondContact O-N 3.35Å; V163-L166 WeakPolarHBondContact O-CB 3.39Å; V163-L166 PolarHBondContact O-N 3.49Å; V164-L166 PolarHBondContact O-N 2.81Å; L166-Y168 PolarHBondContact O-N 2.89Å; L166-Y168 VanDerWaalsContact O-N 3.11Å; L166-R169 WeakPolarHBondContact O-CB 3.4Å; L166-R169 PolarHBondContact O-N 2.93Å; L166-L174 HydrophobicContact CD1-CD2 3.56Å; L166-S207 WeakPolarHBondContact CD2-O 3.48Å; L166-E208 HydrophobicContact CD1-CG 3.95Å; L166-Q211 HydrophobicContact CD1-CB 4.25Å; L166-Q211 HydrophobicContact CD1-CG 4.26Å; L166-Q211 HydrophobicContact CD2-CB 3.8Å; L166-Q211 HydrophobicContact CD2-CG 4.39Å; L166-Q211 HydrophobicContact CG-CB 3.75Å; L166-Q211 HydrophobicContact CG-CG 3.8Å; L166-Q211 VanDerWaalsContact O-CD 3.25Å; L166-Q211 PolarHBondContact O-NE2 3.35Å
167W95.3Very high74.5Confident59 Ų5942.8 Ų42.822%0.22322%0.223CC..THydrogen-bonded Turntrans-62.7-24.3-173-60.8-7.7000114V163 V164 A201 F203 P204 G205 Q211V163-W167 VanDerWaalsContact O-CD1 3.26Å; V163-W167 PolarHBondContact O-NE1 3.31Å; V164-W167 PolarHBondContact O-N 3.42Å; W167-A201 HydrophobicContact CD2-CB 4.14Å; W167-A201 HydrophobicContact CE3-CB 3.5Å; W167-A201 HydrophobicContact CZ3-CB 3.92Å; W167-F203 WeakPolarHBondContact CA-O 3.34Å; W167-F203 WeakPolarHBondContact CB-O 3.43Å; W167-P204 HydrophobicContact CD2-CB 4.31Å; W167-P204 HydrophobicContact CZ2-CB 4.23Å; W167-G205 PolarHBondContact NE1-O 3.43Å; W167-Q211 PolarHBondContact O-NE2 2.71Å
168Y95.6Very high76Confident6 Ų646 Ų462%0.02424%0.24CC..THydrogen-bonded Turntrans-106.64-178.7-44.7-80.1000112.5L128 K129 P130 V164 L166 S188 C191 I192 E195L128-Y168 WeakPolarHBondContact O-CB 3.49Å; K129-Y168 HydrophobicContact CB-CD2 3.67Å; K129-Y168 HydrophobicContact CB-CE2 3.66Å; K129-Y168 HydrophobicContact CB-CG 4.42Å; P130-Y168 WeakPolarHBondContact CD-OH 3.33Å; P130-Y168 HydrophobicContact CG-CE1 4.17Å; P130-Y168 WeakPolarHBondContact CG-OH 3.42Å; V164-Y168 WeakPolarHBondContact O-CE2 3.4Å; L166-Y168 PolarHBondContact O-N 2.89Å; L166-Y168 VanDerWaalsContact O-N 3.11Å; Y168-S188 WeakPolarHBondContact O-CA 3.38Å; Y168-S188 WeakPolarHBondContact O-CB 3.46Å; Y168-S188 PolarHBondContact O-OG 3.37Å; Y168-C191 HydrophobicContact CD1-CB 3.85Å; Y168-I192 HydrophobicContact CD1-CD1 4.38Å; Y168-I192 HydrophobicContact CD1-CG1 3.65Å; Y168-I192 HydrophobicContact CE1-CG1 3.73Å; Y168-E195 VanDerWaalsContact CE1-OE2 3.28Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.39Å; Y168-E195 PolarHBondContact OH-OE2 3.24Å
169R93.6Very high77.6Confident17 Ų1748.8 Ų48.86%0.06424%0.236CC..  trans-76.9135-177-166.9175.1-64.1172.36110.9L166 I173 L174 W187 E208L166-R169 WeakPolarHBondContact O-CB 3.4Å; L166-R169 PolarHBondContact O-N 2.93Å; R169-I173 HydrophobicContact CG-CB 4.01Å; R169-I173 HydrophobicContact CG-CG2 4.05Å; R169-L174 HydrophobicContact CB-CD2 4.44Å; R169-L174 HydrophobicContact CB-CG 4.42Å; R169-L174 HydrophobicContact CG-CD2 4.22Å; R169-L174 HydrophobicContact CG-CG 4.11Å; R169-W187 PolarHBondContact O-NE1 2.96Å; R169-W187 VanDerWaalsContact O-NE1 3.11Å; R169-E208 IonicContact NH1-OE1 3.31Å; R169-E208 PolarHBondContact NH1-OE1 3.14Å
170A95.4Very high78.8Confident2 Ų250 Ų502%0.01724%0.241CC..  trans-72147.3179.700000112.2E172 I173 L174 V184 W187A170-E172 VanDerWaalsContact C-N 3.27Å; A170-E172 VanDerWaalsContact CB-CD 3.46Å; A170-E172 HydrophobicContact CB-CG 4.37Å; A170-E172 WeakPolarHBondContact CB-OE1 3.24Å; A170-E172 WeakPolarHBondContact CB-OE2 3.34Å; A170-E172 PolarHBondContact O-N 3.24Å; A170-I173 HydrophobicContact CB-CG1 4.49Å; A170-I173 PolarHBondContact O-N 2.95Å; A170-I173 VanDerWaalsContact O-N 3.1Å; A170-L174 PolarHBondContact O-N 3.39Å; A170-V184 HydrophobicContact CB-CB 4.36Å; A170-V184 HydrophobicContact CB-CG1 4.4Å; A170-W187 HydrophobicContact CB-CB 3.8Å; A170-W187 HydrophobicContact CB-CD2 4.29Å; A170-W187 HydrophobicContact CB-CG 3.68Å
171P96.8Very high80.9Confident0 Ų049.6 Ų49.60%024%0.24CC..Hα-helixtrans-63.1-31.2-175.225.6-35000112.6I173 L174 L175 W187 L212 W227 Y269P171-I173 VanDerWaalsContact C-N 3.27Å; P171-I173 PolarHBondContact O-N 3.26Å; P171-L174 PolarHBondContact O-N 3.2Å; P171-L175 WeakPolarHBondContact O-CB 3.16Å; P171-L175 VanDerWaalsContact O-CG 3.28Å; P171-L175 WeakPolarHBondContact O-CG 3.15Å; P171-L175 PolarHBondContact O-N 2.82Å; P171-W187 VanDerWaalsContact CD-CE2 3.46Å; P171-W187 HydrophobicContact CG-CE3 4.25Å; P171-W187 HydrophobicContact CG-CH2 3.77Å; P171-W187 HydrophobicContact CG-CZ2 4.15Å; P171-W187 HydrophobicContact CG-CZ3 3.83Å; P171-L212 HydrophobicContact CB-CD2 4.46Å; P171-W227 HydrophobicContact CB-CH2 4.35Å; P171-W227 HydrophobicContact CB-CZ3 4.11Å; P171-W227 HydrophobicContact CG-CH2 4.32Å; P171-W227 HydrophobicContact CG-CZ3 4.23Å; P171-Y269 HydrophobicContact CB-CD1 4.22Å; P171-Y269 HydrophobicContact CB-CE1 4.23Å; P171-Y269 HydrophobicContact CG-CD1 3.8Å; P171-Y269 HydrophobicContact CG-CE1 4.15Å
172E94.8Very high83.2Confident4 Ų445.1 Ų45.12%0.01922%0.223CC..Hα-helixtrans-63.1-34.9176.561.2-88.4-153.600112.4A170 G176 C177 W227 M233 P271 R274A170-E172 VanDerWaalsContact C-N 3.27Å; A170-E172 VanDerWaalsContact CB-CD 3.46Å; A170-E172 HydrophobicContact CB-CG 4.37Å; A170-E172 WeakPolarHBondContact CB-OE1 3.24Å; A170-E172 WeakPolarHBondContact CB-OE2 3.34Å; A170-E172 PolarHBondContact O-N 3.24Å; E172-G176 PolarHBondContact O-N 3.04Å; E172-C177 HydrophobicContact CB-CB 4.09Å; E172-C177 WeakPolarHBondContact O-CA 3.39Å; E172-C177 WeakPolarHBondContact O-CB 3.29Å; E172-C177 PolarHBondContact O-N 3.27Å; E172-W227 HydrophobicContact CB-CH2 3.74Å; E172-W227 HydrophobicContact CB-CZ2 3.79Å; E172-M233 HydrophobicContact CB-CE 4.47Å; E172-P271 HydrophobicContact CB-CG 4.13Å; E172-P271 HydrophobicContact CG-CG 3.97Å; E172-R274 IonicContact OE1-CZ 2.91Å; E172-R274 IonicContact OE1-NH1 3.55Å; E172-R274 PolarHBondContact OE1-NH1 3.09Å; E172-R274 IonicContact OE1-NH2 2.64Å; E172-R274 PolarHBondContact OE1-NH2 3.47Å; E172-R274 IonicContact OE2-CZ 3.93Å; E172-R274 IonicContact OE2-NH1 2.76Å; E172-R274 IonicContact OE2-NH2 3.81Å; E172-R274 PolarHBondContact OE2-NH2 2.95Å
173I91.8Very high85.3Confident19 Ų1941.8 Ų41.810%0.09721%0.208CC..Hα-helixtrans-74.5-39.7177.6-55.2-48.8000110Y159 R169 A170 P171 L175 G176 Y180 V184Y159-I173 HydrophobicContact CD2-CG2 4.04Å; Y159-I173 HydrophobicContact CE2-CG2 3.68Å; R169-I173 HydrophobicContact CG-CB 4.01Å; R169-I173 HydrophobicContact CG-CG2 4.05Å; A170-I173 HydrophobicContact CB-CG1 4.49Å; A170-I173 PolarHBondContact O-N 2.95Å; A170-I173 VanDerWaalsContact O-N 3.1Å; P171-I173 VanDerWaalsContact C-N 3.27Å; P171-I173 PolarHBondContact O-N 3.26Å; I173-L175 VanDerWaalsContact C-N 3.26Å; I173-L175 PolarHBondContact O-N 2.99Å; I173-G176 PolarHBondContact O-N 2.8Å; I173-Y180 HydrophobicContact CD1-CD1 3.55Å; I173-Y180 HydrophobicContact CD1-CE1 3.44Å; I173-Y180 VanDerWaalsContact CD1-CE1 3.44Å; I173-Y180 HydrophobicContact CG1-CD1 4.39Å; I173-Y180 HydrophobicContact CG1-CE1 4.17Å; I173-Y180 HydrophobicContact CG2-CE1 4.35Å; I173-V184 HydrophobicContact CD1-CG1 4.08Å; I173-V184 HydrophobicContact CG1-CG1 4.06Å
174L93.3Very high87.1Confident6 Ų638.9 Ų38.93%0.03119%0.191CC..Hα-helixtrans-66.5-26.7175.8-66.6168.1000113.1L166 R169 A170 P171 G176 E208 Q211 L212 I215L166-L174 HydrophobicContact CD1-CD2 3.56Å; R169-L174 HydrophobicContact CB-CD2 4.44Å; R169-L174 HydrophobicContact CB-CG 4.42Å; R169-L174 HydrophobicContact CG-CD2 4.22Å; R169-L174 HydrophobicContact CG-CG 4.11Å; A170-L174 PolarHBondContact O-N 3.39Å; P171-L174 PolarHBondContact O-N 3.2Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-E208 HydrophobicContact CD2-CB 4.04Å; L174-E208 HydrophobicContact CD2-CG 4.2Å; L174-Q211 HydrophobicContact CD1-CB 4.19Å; L174-Q211 HydrophobicContact CD1-CG 3.55Å; L174-Q211 HydrophobicContact CD2-CB 4.46Å; L174-Q211 HydrophobicContact CD2-CG 4.32Å; L174-L212 HydrophobicContact CB-CD1 4.13Å; L174-L212 HydrophobicContact CB-CD2 3.59Å; L174-L212 HydrophobicContact CB-CG 3.75Å; L174-L212 HydrophobicContact CD1-CD2 3.97Å; L174-L212 HydrophobicContact CD1-CG 4.12Å; L174-L212 HydrophobicContact CG-CD2 4.43Å; L174-L212 HydrophobicContact CG-CG 4.48Å; L174-I215 HydrophobicContact CD1-CD1 3.73Å
175L94.9Very high88.8Confident0 Ų036 Ų360%017%0.174CC..THydrogen-bonded Turntrans-89.88.3176.5-69172000113.2P171 I173 L212 W227 V230 M233 P234 D235 Y236 F240P171-L175 WeakPolarHBondContact O-CB 3.16Å; P171-L175 VanDerWaalsContact O-CG 3.28Å; P171-L175 WeakPolarHBondContact O-CG 3.15Å; P171-L175 PolarHBondContact O-N 2.82Å; I173-L175 VanDerWaalsContact C-N 3.26Å; I173-L175 PolarHBondContact O-N 2.99Å; L175-L212 HydrophobicContact CD2-CD1 3.91Å; L175-L212 HydrophobicContact CD2-CD2 4.18Å; L175-L212 HydrophobicContact CG-CD1 4.49Å; L175-L212 HydrophobicContact CG-CD2 4.07Å; L175-W227 HydrophobicContact CD1-CH2 4.03Å; L175-W227 HydrophobicContact CD1-CZ3 3.68Å; L175-V230 HydrophobicContact CD1-CG2 3.94Å; L175-M233 HydrophobicContact CB-CB 4.05Å; L175-M233 HydrophobicContact CB-CG 4.48Å; L175-M233 HydrophobicContact CB-SD 3.59Å; L175-M233 VanDerWaalsContact CB-SD 3.59Å; L175-M233 HydrophobicContact CD1-SD 3.8Å; L175-M233 HydrophobicContact CG-SD 4.36Å; L175-P234 WeakPolarHBondContact O-CD 3.4Å; L175-D235 PolarHBondContact O-N 3.19Å; L175-Y236 HydrophobicContact CD2-CD2 4.47Å; L175-F240 HydrophobicContact CD2-CE2 3.96Å; L175-F240 HydrophobicContact CD2-CZ 4.44Å
176G88.4Confident90.1Very high19 Ų1935.2 Ų35.220%0.19617%0.169CC..THydrogen-bonded Turntrans86.914.3172.700000115.1E172 I173 L174 K178 D235E172-G176 PolarHBondContact O-N 3.04Å; I173-G176 PolarHBondContact O-N 2.8Å; L174-G176 VanDerWaalsContact C-N 3.3Å; G176-K178 PolarHBondContact O-N 2.89Å; G176-D235 VanDerWaalsContact CA-OD2 3.28Å; G176-D235 WeakPolarHBondContact CA-OD2 3.16Å; G176-D235 PolarHBondContact N-OD2 2.83Å
177C84.9Confident90.6Very high34 Ų3434.9 Ų34.923%0.2317%0.167CC..  trans-64122.8172.8-171.50000110.3E172E172-C177 HydrophobicContact CB-CB 4.09Å; E172-C177 WeakPolarHBondContact O-CA 3.39Å; E172-C177 WeakPolarHBondContact O-CB 3.29Å; E172-C177 PolarHBondContact O-N 3.27Å
178K73.9Confident90.7Very high172 Ų17232.5 Ų32.575%0.74816%0.159SC*.  trans-81.7-16179.9-62.1-174.6179.8-179.60113.3G176 Y180G176-K178 PolarHBondContact O-N 2.89Å; K178-Y180 WeakPolarHBondContact O-CE2 3.37Å
179Y73.9Confident90.9Very high200 Ų20032.2 Ų32.278%0.78416%0.158SC*.  trans-96.2116.9-175.2-61.6-73.6000110.6
180Y72.4Confident91.1Very high76 Ų7631.4 Ų31.430%0.29816%0.155SC..  trans-90.1133.2175.6-55.6-85.7000110Y159 I173 K178Y159-Y180 AromaticContact CE2-CE1 3.59Å; Y159-Y180 HydrophobicContact CE2-CE1 3.59Å; Y159-Y180 AromaticContact CE2-CZ 3.76Å; Y159-Y180 WeakPolarHBondContact CE2-OH 3.44Å; Y159-Y180 AromaticContact CZ-CE1 3.77Å; Y159-Y180 WeakPolarHBondContact OH-CE1 3.48Å; I173-Y180 HydrophobicContact CD1-CD1 3.55Å; I173-Y180 HydrophobicContact CD1-CE1 3.44Å; I173-Y180 VanDerWaalsContact CD1-CE1 3.44Å; I173-Y180 HydrophobicContact CG1-CD1 4.39Å; I173-Y180 HydrophobicContact CG1-CE1 4.17Å; I173-Y180 HydrophobicContact CG2-CE1 4.35Å; K178-Y180 WeakPolarHBondContact O-CE2 3.37Å
181S85.9Confident91.3Very high46 Ų4631.4 Ų31.432%0.32216%0.155SC..  trans-120.2175.7169.873.80000110.5A183 V184S181-A183 PolarHBondContact O-N 3.02Å; S181-A183 VanDerWaalsContact OG-CB 3.28Å; S181-A183 WeakPolarHBondContact OG-CB 3.33Å; S181-A183 PolarHBondContact OG-N 3.05Å; S181-V184 WeakPolarHBondContact O-CG2 3.28Å; S181-V184 PolarHBondContact O-N 3.08Å
182T90.8Very high91.4Very high58 Ų5831.4 Ų31.436%0.35616%0.155SC..THydrogen-bonded Turntrans-60.1-21.6172.551.10000113H119 L124 V184 D185H119-T182 HydrophobicContact CB-CG2 3.75Å; H119-T182 PolarHBondContact CE1-O 2.83Å; H119-T182 VanDerWaalsContact CG-CG2 3.47Å; L124-T182 VanDerWaalsContact CD2-CA 3.48Å; L124-T182 HydrophobicContact CD2-CG2 3.61Å; T182-V184 PolarHBondContact O-N 2.82Å; T182-D185 PolarHBondContact O-N 3.18Å
183A94.9Very high91.5Very high5 Ų531.2 Ų31.24%0.04115%0.154CC..Hα-helixtrans-63.2-27.3-17900000113S181 D185 I186 W187 P271 R274S181-A183 PolarHBondContact O-N 3.02Å; S181-A183 VanDerWaalsContact OG-CB 3.28Å; S181-A183 WeakPolarHBondContact OG-CB 3.33Å; S181-A183 PolarHBondContact OG-N 3.05Å; A183-D185 VanDerWaalsContact C-N 3.32Å; A183-D185 PolarHBondContact O-N 2.93Å; A183-I186 PolarHBondContact O-N 3.44Å; A183-W187 PolarHBondContact O-N 3.42Å; A183-P271 HydrophobicContact CB-CB 3.81Å; A183-P271 WeakPolarHBondContact CB-O 3.1Å; A183-R274 VanDerWaalsContact C-NH1 3.25Å; A183-R274 HydrophobicContact CB-CB 4.38Å; A183-R274 WeakPolarHBondContact O-CD 3.49Å; A183-R274 PolarHBondContact O-NH1 3.26Å
184V93.9Very high91.9Very high7 Ų730.3 Ų30.34%0.04215%0.149CC..Hα-helixtrans-64.4-39.3179.2-53.30000111.4A170 I173 S181 T182 I186 W187 S188A170-V184 HydrophobicContact CB-CB 4.36Å; A170-V184 HydrophobicContact CB-CG1 4.4Å; I173-V184 HydrophobicContact CD1-CG1 4.08Å; I173-V184 HydrophobicContact CG1-CG1 4.06Å; S181-V184 WeakPolarHBondContact O-CG2 3.28Å; S181-V184 PolarHBondContact O-N 3.08Å; T182-V184 PolarHBondContact O-N 2.82Å; V184-I186 VanDerWaalsContact C-N 3.32Å; V184-I186 PolarHBondContact O-N 2.77Å; V184-W187 PolarHBondContact O-N 3.29Å; V184-S188 PolarHBondContact O-N 2.88Å; V184-S188 VanDerWaalsContact O-N 3.11Å; V184-S188 PolarHBondContact O-OG 3.27Å
185D95Very high92.1Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-67.8-36.8177.7-67.3-25000110.7L115 H119 H125 R126 L128 T182 A183 S188 L189L115-D185 HydrophobicContact CD1-CB 4.24Å; L115-D185 HydrophobicContact CD2-CB 4.13Å; H119-D185 IonicContact CD2-OD2 2.63Å; H119-D185 IonicContact CE1-OD2 2.59Å; H119-D185 IonicContact NE2-OD2 3.76Å; H119-D185 PolarHBondContact NE2-OD2 3.23Å; H125-D185 WeakPolarHBondContact CB-OD1 3.5Å; H125-D185 PolarHBondContact N-OD1 3.41Å; H125-D185 PolarHBondContact N-OD2 3.17Å; R126-D185 PolarHBondContact N-OD1 2.61Å; L128-D185 HydrophobicContact CD1-CB 3.79Å; L128-D185 VanDerWaalsContact CD1-O 3.29Å; L128-D185 WeakPolarHBondContact CD1-O 3.49Å; T182-D185 PolarHBondContact O-N 3.18Å; A183-D185 VanDerWaalsContact C-N 3.32Å; A183-D185 PolarHBondContact O-N 2.93Å; D185-S188 PolarHBondContact O-N 2.94Å; D185-L189 WeakPolarHBondContact O-CB 3.31Å; D185-L189 PolarHBondContact O-N 3.33Å
186I98.6Very high92.2Very high2 Ų230.6 Ų30.61%0.0115%0.15CC..Hα-helixtrans-65.2-41.6176.7-55-57.7000111.2L115 A183 V184 L189 G190 M266 R274 I275 A277L115-I186 HydrophobicContact CD1-CD1 4.46Å; A183-I186 PolarHBondContact O-N 3.44Å; V184-I186 VanDerWaalsContact C-N 3.32Å; V184-I186 PolarHBondContact O-N 2.77Å; I186-L189 PolarHBondContact O-N 2.86Å; I186-G190 PolarHBondContact O-N 3.13Å; I186-M266 HydrophobicContact CG2-CB 3.98Å; I186-M266 HydrophobicContact CG2-CE 4.23Å; I186-M266 HydrophobicContact CG2-CG 3.98Å; I186-R274 HydrophobicContact CG2-CG 4.17Å; I186-I275 WeakPolarHBondContact CG1-O 3.38Å; I186-I275 HydrophobicContact CG2-CG2 4.15Å; I186-I275 WeakPolarHBondContact CG2-O 3.47Å; I186-A277 HydrophobicContact CD1-CB 3.79Å
187W98.5Very high92.6Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-59.6-51.1175.4177.9-83.1000111.2R169 A170 P171 A183 V184 L189 G190 C191 F203 I215 L219 L267R169-W187 PolarHBondContact O-NE1 2.96Å; R169-W187 VanDerWaalsContact O-NE1 3.11Å; A170-W187 HydrophobicContact CB-CB 3.8Å; A170-W187 HydrophobicContact CB-CD2 4.29Å; A170-W187 HydrophobicContact CB-CG 3.68Å; P171-W187 VanDerWaalsContact CD-CE2 3.46Å; P171-W187 HydrophobicContact CG-CE3 4.25Å; P171-W187 HydrophobicContact CG-CH2 3.77Å; P171-W187 HydrophobicContact CG-CZ2 4.15Å; P171-W187 HydrophobicContact CG-CZ3 3.83Å; A183-W187 PolarHBondContact O-N 3.42Å; V184-W187 PolarHBondContact O-N 3.29Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.26Å; W187-G190 WeakPolarHBondContact O-CA 3.47Å; W187-G190 PolarHBondContact O-N 3.11Å; W187-C191 PolarHBondContact O-N 2.94Å; W187-F203 HydrophobicContact CZ2-CD2 4.39Å; W187-F203 AromaticContact CZ2-CE2 3.83Å; W187-F203 HydrophobicContact CZ2-CE2 3.83Å; W187-I215 HydrophobicContact CH2-CG2 3.77Å; W187-I215 HydrophobicContact CZ2-CD1 3.9Å; W187-I215 HydrophobicContact CZ2-CG1 4.07Å; W187-I215 HydrophobicContact CZ2-CG2 3.87Å; W187-L219 HydrophobicContact CH2-CD1 3.49Å; W187-L219 VanDerWaalsContact CH2-CD1 3.49Å; W187-L219 HydrophobicContact CZ2-CD1 4.39Å; W187-L219 HydrophobicContact CZ3-CD1 4.1Å; W187-L267 HydrophobicContact CD2-CD2 3.89Å; W187-L267 HydrophobicContact CE3-CB 4.46Å; W187-L267 HydrophobicContact CE3-CD2 3.95Å; W187-L267 HydrophobicContact CG-CD2 4.41Å; W187-L267 HydrophobicContact CH2-CD2 4.43Å; W187-L267 HydrophobicContact CZ2-CD2 4.34Å; W187-L267 HydrophobicContact CZ3-CB 4.19Å; W187-L267 HydrophobicContact CZ3-CD2 4.24Å; W187-L267 WeakPolarHBondContact CZ3-O 3.48Å
188S97.6Very high93.1Very high9 Ų930.3 Ų30.36%0.06314%0.144CC..Hα-helixtrans-57.4-43.5178.5-57.20000111.7Y168 V184 D185 G190 C191 I192Y168-S188 WeakPolarHBondContact O-CA 3.38Å; Y168-S188 WeakPolarHBondContact O-CB 3.46Å; Y168-S188 PolarHBondContact O-OG 3.37Å; V184-S188 PolarHBondContact O-N 2.88Å; V184-S188 VanDerWaalsContact O-N 3.11Å; V184-S188 PolarHBondContact O-OG 3.27Å; D185-S188 PolarHBondContact O-N 2.94Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.28Å; S188-C191 WeakPolarHBondContact O-CB 3.28Å; S188-C191 PolarHBondContact O-N 3.05Å; S188-I192 VanDerWaalsContact O-CG1 3.3Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 2.92Å
189L98.6Very high94Very high1 Ų128.5 Ų28.51%0.00513%0.132CC..Hα-helixtrans-66.7-33176.4-172.659.6000112.5L108 L111 L112 L115 L128 D185 I186 W187 I192 F193 M266L108-L189 HydrophobicContact CD1-CD1 4.05Å; L108-L189 HydrophobicContact CD1-CD2 3.99Å; L108-L189 HydrophobicContact CD1-CG 3.79Å; L111-L189 HydrophobicContact CB-CD1 3.96Å; L111-L189 HydrophobicContact CB-CD2 4.07Å; L111-L189 HydrophobicContact CD1-CD1 3.63Å; L111-L189 HydrophobicContact CG-CD1 4.41Å; L112-L189 HydrophobicContact CD2-CD2 3.7Å; L112-L189 HydrophobicContact CG-CD2 3.9Å; L115-L189 HydrophobicContact CD1-CB 4.34Å; L115-L189 HydrophobicContact CD1-CD2 3.68Å; L128-L189 HydrophobicContact CD1-CB 4.46Å; D185-L189 WeakPolarHBondContact O-CB 3.31Å; D185-L189 PolarHBondContact O-N 3.33Å; I186-L189 PolarHBondContact O-N 2.86Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.26Å; L189-I192 HydrophobicContact CD1-CB 4.47Å; L189-I192 PolarHBondContact O-N 2.75Å; L189-F193 WeakPolarHBondContact O-CB 3.38Å; L189-F193 PolarHBondContact O-N 3.36Å; L189-M266 HydrophobicContact CB-CE 3.88Å; L189-M266 HydrophobicContact CD2-CE 4.08Å; L189-M266 HydrophobicContact CG-CE 3.8Å
190G98.8Very high94.9Very high0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-62.9-42.9172.300000112.3I186 W187 S188 F193 A194 L263I186-G190 PolarHBondContact O-N 3.13Å; W187-G190 WeakPolarHBondContact O-CA 3.47Å; W187-G190 PolarHBondContact O-N 3.11Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.28Å; G190-F193 WeakPolarHBondContact O-CB 3.33Å; G190-F193 PolarHBondContact O-N 3.11Å; G190-A194 PolarHBondContact O-N 3.34Å; G190-A194 VanDerWaalsContact O-N 3.11Å; G190-L263 WeakPolarHBondContact O-CD1 3.48Å
191C98.7Very high96Very high1 Ų125.6 Ų25.61%0.00712%0.124CC..Hα-helixtrans-60.8-45.3172.2-66.80000111.7Y168 W187 S188 F193 A194 E195Y168-C191 HydrophobicContact CD1-CB 3.85Å; W187-C191 PolarHBondContact O-N 2.94Å; S188-C191 WeakPolarHBondContact O-CB 3.28Å; S188-C191 PolarHBondContact O-N 3.05Å; C191-F193 VanDerWaalsContact C-N 3.32Å; C191-F193 PolarHBondContact O-N 3.3Å; C191-A194 PolarHBondContact O-N 2.81Å; C191-E195 PolarHBondContact O-N 3.25Å
192I98.6Very high96.6Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-63.5-38.6178-66.3163.2000111L87 L128 P130 L133 Y168 S188 L189 E195 M196L87-I192 HydrophobicContact CD2-CG2 3.79Å; L128-I192 HydrophobicContact CB-CD1 4.23Å; P130-I192 HydrophobicContact CG-CG1 4.29Å; L133-I192 HydrophobicContact CD1-CD1 4.05Å; L133-I192 HydrophobicContact CD1-CG2 3.94Å; Y168-I192 HydrophobicContact CD1-CD1 4.38Å; Y168-I192 HydrophobicContact CD1-CG1 3.65Å; Y168-I192 HydrophobicContact CE1-CG1 3.73Å; S188-I192 VanDerWaalsContact O-CG1 3.3Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 2.92Å; L189-I192 HydrophobicContact CD1-CB 4.47Å; L189-I192 PolarHBondContact O-N 2.75Å; I192-E195 PolarHBondContact O-N 2.99Å; I192-M196 HydrophobicContact CG2-CE 4.37Å; I192-M196 HydrophobicContact CG2-CG 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.34Å; I192-M196 PolarHBondContact O-N 2.87Å
193F98.7Very high96.9Very high0 Ų021.8 Ų21.80%010%0.098CC..Hα-helixtrans-59.9-50.7176.1176.1-152.9000111.4I104 L108 L189 G190 C191 E195 M196 V197 L255 L262 L263 M266 F285I104-F193 HydrophobicContact CG2-CD2 3.93Å; I104-F193 HydrophobicContact CG2-CE2 3.89Å; L108-F193 HydrophobicContact CD1-CB 4.05Å; L108-F193 HydrophobicContact CD1-CG 4.28Å; L108-F193 HydrophobicContact CD2-CB 4.36Å; L108-F193 HydrophobicContact CD2-CD1 3.69Å; L108-F193 HydrophobicContact CD2-CD2 3.76Å; L108-F193 HydrophobicContact CD2-CE1 3.77Å; L108-F193 HydrophobicContact CD2-CE2 3.84Å; L108-F193 HydrophobicContact CD2-CG 3.68Å; L108-F193 HydrophobicContact CD2-CZ 3.82Å; L189-F193 WeakPolarHBondContact O-CB 3.38Å; L189-F193 PolarHBondContact O-N 3.36Å; G190-F193 WeakPolarHBondContact O-CB 3.33Å; G190-F193 PolarHBondContact O-N 3.11Å; C191-F193 VanDerWaalsContact C-N 3.32Å; C191-F193 PolarHBondContact O-N 3.3Å; F193-E195 VanDerWaalsContact C-N 3.27Å; F193-E195 PolarHBondContact O-N 3.36Å; F193-M196 PolarHBondContact O-N 3.46Å; F193-V197 HydrophobicContact CD2-CG2 4.07Å; F193-V197 HydrophobicContact CE2-CG2 3.88Å; F193-V197 WeakPolarHBondContact O-CG2 3.32Å; F193-V197 PolarHBondContact O-N 3.25Å; F193-L255 HydrophobicContact CE1-CD2 4.06Å; F193-L255 HydrophobicContact CE2-CD1 4.03Å; F193-L255 HydrophobicContact CZ-CD1 3.69Å; F193-L255 HydrophobicContact CZ-CD2 3.88Å; F193-L255 HydrophobicContact CZ-CG 4.41Å; F193-L262 HydrophobicContact CE1-CD2 4.43Å; F193-L263 HydrophobicContact CD1-CB 4.09Å; F193-L263 HydrophobicContact CD1-CD1 3.87Å; F193-L263 HydrophobicContact CE1-CB 4.01Å; F193-M266 HydrophobicContact CD1-SD 4.31Å; F193-F285 HydrophobicContact CE2-CE1 4.13Å; F193-F285 HydrophobicContact CE2-CZ 4.05Å; F193-F285 HydrophobicContact CZ-CD1 4.45Å; F193-F285 AromaticContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE2 4.42Å; F193-F285 AromaticContact CZ-CZ 3.7Å; F193-F285 HydrophobicContact CZ-CZ 3.7Å
194A98.4Very high96.9Very high0 Ų023.8 Ų23.80%011%0.11CC..Hα-helixtrans-60.4-37.7175.600000112.3G190 C191 V197 T198 L202 V252 L263G190-A194 PolarHBondContact O-N 3.34Å; G190-A194 VanDerWaalsContact O-N 3.11Å; C191-A194 PolarHBondContact O-N 2.81Å; A194-V197 PolarHBondContact O-N 3.41Å; A194-T198 WeakPolarHBondContact O-CB 3.38Å; A194-T198 WeakPolarHBondContact O-CG2 3.33Å; A194-T198 PolarHBondContact O-N 3.25Å; A194-T198 PolarHBondContact O-OG1 2.87Å; A194-L202 HydrophobicContact CB-CB 4.06Å; A194-L202 HydrophobicContact CB-CD1 4.17Å; A194-L202 HydrophobicContact CB-CD2 3.76Å; A194-L202 HydrophobicContact CB-CG 4.21Å; A194-V252 HydrophobicContact CB-CG2 4.1Å; A194-L263 HydrophobicContact CB-CD1 4.25Å; A194-L263 HydrophobicContact CB-CD2 4.13Å
195E97.6Very high97Very high10 Ų1023.5 Ų23.55%0.04711%0.109CC..Hα-helixtrans-67.4-41.3177.4-176.9170.6173.600112.8M91 Y168 C191 I192 F193 V197 T198 R199 R200M91-E195 HydrophobicContact CE-CG 4.07Å; M91-E195 HydrophobicContact SD-CG 4.01Å; Y168-E195 VanDerWaalsContact CE1-OE2 3.28Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.39Å; Y168-E195 PolarHBondContact OH-OE2 3.24Å; C191-E195 PolarHBondContact O-N 3.25Å; I192-E195 PolarHBondContact O-N 2.99Å; F193-E195 VanDerWaalsContact C-N 3.27Å; F193-E195 PolarHBondContact O-N 3.36Å; E195-V197 PolarHBondContact O-N 2.96Å; E195-T198 PolarHBondContact O-N 3.32Å; E195-R199 WeakPolarHBondContact O-CA 3.19Å; E195-R199 PolarHBondContact O-N 3.42Å; E195-R200 WeakPolarHBondContact CA-O 3.44Å
196M97.9Very high96.8Very high2 Ų228.5 Ų28.51%0.0114%0.135CC..Hα-helixtrans-58.4-36.3174.2-73.5-169.7-69.700111.8L87 M91 I104 Y107 L108 I192 F193L87-M196 HydrophobicContact CD1-CG 4.42Å; L87-M196 HydrophobicContact CD1-SD 4.16Å; L87-M196 HydrophobicContact CD2-CG 4.05Å; L87-M196 HydrophobicContact CD2-SD 3.92Å; M91-M196 HydrophobicContact SD-CG 4.06Å; I104-M196 HydrophobicContact CD1-CB 4.24Å; I104-M196 WeakPolarHBondContact CD1-O 3.38Å; I104-M196 HydrophobicContact CG1-CB 4.18Å; I104-M196 HydrophobicContact CG2-CB 3.98Å; I104-M196 HydrophobicContact CG2-CE 4.03Å; I104-M196 HydrophobicContact CG2-SD 4.45Å; Y107-M196 HydrophobicContact CD2-SD 4.34Å; L108-M196 HydrophobicContact CB-CE 4.45Å; I192-M196 HydrophobicContact CG2-CE 4.37Å; I192-M196 HydrophobicContact CG2-CG 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.34Å; I192-M196 PolarHBondContact O-N 2.87Å; F193-M196 PolarHBondContact O-N 3.46Å
197V97.2Very high96.5Very high17 Ų1730.6 Ų30.610%0.10315%0.15CC..Hα-helixtrans-78.2-45.4-179.2179.20000111.9I104 F193 A194 E195 V252 P254 L255I104-V197 HydrophobicContact CD1-CB 4.42Å; I104-V197 HydrophobicContact CD1-CG2 3.92Å; I104-V197 HydrophobicContact CG2-CG2 4.06Å; F193-V197 HydrophobicContact CD2-CG2 4.07Å; F193-V197 HydrophobicContact CE2-CG2 3.88Å; F193-V197 WeakPolarHBondContact O-CG2 3.32Å; F193-V197 PolarHBondContact O-N 3.25Å; A194-V197 PolarHBondContact O-N 3.41Å; E195-V197 PolarHBondContact O-N 2.96Å; V197-V252 HydrophobicContact CB-CG1 3.87Å; V197-V252 HydrophobicContact CG1-CG1 3.49Å; V197-V252 VanDerWaalsContact CG1-CG1 3.49Å; V197-P254 HydrophobicContact CG1-CB 3.82Å; V197-P254 HydrophobicContact CG1-CG 4.12Å; V197-L255 HydrophobicContact CG1-CB 4.37Å; V197-L255 HydrophobicContact CG2-CD1 4.19Å
198T95Very high96.2Very high31 Ų3133.8 Ų33.819%0.1917%0.165CC..Hα-helixtrans-91.3-15.8-173.260.90000114A194 E195 R200 V252A194-T198 WeakPolarHBondContact O-CB 3.38Å; A194-T198 WeakPolarHBondContact O-CG2 3.33Å; A194-T198 PolarHBondContact O-N 3.25Å; A194-T198 PolarHBondContact O-OG1 2.87Å; E195-T198 PolarHBondContact O-N 3.32Å; T198-R200 PolarHBondContact O-N 2.85Å; T198-R200 PolarHBondContact OG1-N 3.02Å; T198-R200 PolarHBondContact OG1-O 3.29Å; T198-V252 HydrophobicContact CG2-CB 4.29Å; T198-V252 HydrophobicContact CG2-CG1 3.82Å; T198-V252 HydrophobicContact CG2-CG2 4.24Å
199R92.9Very high96.1Very high133 Ų13337 Ų3750%0.50218%0.18SC..SBendtrans63.614.2-169.3-51.8166.5-78.5-171.6-10114A95 L96 E195A95-R199 WeakPolarHBondContact O-CD 3.41Å; A95-R199 PolarHBondContact O-NH1 3.31Å; L96-R199 PolarHBondContact O-NH1 2.95Å; E195-R199 WeakPolarHBondContact O-CA 3.19Å; E195-R199 PolarHBondContact O-N 3.42Å
200R93.1Very high96Very high196 Ų19638.2 Ų38.274%0.7419%0.187SC*.SBendtrans-133.1137.8-178.7-62.8-178.3-177.6178.40.4108.6E195 T198 L202E195-R200 WeakPolarHBondContact CA-O 3.44Å; T198-R200 PolarHBondContact O-N 2.85Å; T198-R200 PolarHBondContact OG1-N 3.02Å; T198-R200 PolarHBondContact OG1-O 3.29Å; R200-L202 PolarHBondContact O-N 2.98Å
201A95.7Very high95.9Very high19 Ų1938.2 Ų38.216%0.15719%0.187CC..  trans-54.9131.1172.600000109.5W167 F203 P204W167-A201 HydrophobicContact CD2-CB 4.14Å; W167-A201 HydrophobicContact CE3-CB 3.5Å; W167-A201 HydrophobicContact CZ3-CB 3.92Å; A201-F203 VanDerWaalsContact C-N 3.34Å; A201-F203 PolarHBondContact O-N 2.92Å; A201-P204 HydrophobicContact CB-CB 4.17Å; A201-P204 WeakPolarHBondContact O-CD 3.34Å
202L97.4Very high95.8Very high25 Ų2538.4 Ų38.413%0.13119%0.188CC..SBendtrans-65.8-39.6-175.5-179.161.6000111.7A194 R200 V251 L267A194-L202 HydrophobicContact CB-CB 4.06Å; A194-L202 HydrophobicContact CB-CD1 4.17Å; A194-L202 HydrophobicContact CB-CD2 3.76Å; A194-L202 HydrophobicContact CB-CG 4.21Å; R200-L202 PolarHBondContact O-N 2.98Å; L202-V251 HydrophobicContact CD1-CG1 3.52Å; L202-L267 HydrophobicContact CD2-CD1 3.51Å
203F97.7Very high95.8Very high0 Ų040.7 Ų40.70%020%0.198CC..SBendtrans-131.380.7-179-51.2-54.3000110.3W167 W187 A201 G205 Q211 R214 I215 T218 L219 L267W167-F203 WeakPolarHBondContact CA-O 3.34Å; W167-F203 WeakPolarHBondContact CB-O 3.43Å; W187-F203 HydrophobicContact CZ2-CD2 4.39Å; W187-F203 AromaticContact CZ2-CE2 3.83Å; W187-F203 HydrophobicContact CZ2-CE2 3.83Å; A201-F203 VanDerWaalsContact C-N 3.34Å; A201-F203 PolarHBondContact O-N 2.92Å; F203-G205 PolarHBondContact O-N 3.23Å; F203-G205 VanDerWaalsContact O-N 3.09Å; F203-Q211 PolarHBondContact O-NE2 3.16Å; F203-Q211 PolarHBondContact O-OE1 3.23Å; F203-R214 HydrophobicContact CB-CB 4.34Å; F203-R214 HydrophobicContact CD1-CB 4.49Å; F203-I215 HydrophobicContact CB-CG1 4.21Å; F203-I215 HydrophobicContact CD1-CG1 4.08Å; F203-I215 HydrophobicContact CD2-CG1 3.77Å; F203-I215 HydrophobicContact CE1-CG1 4.41Å; F203-I215 HydrophobicContact CE2-CG1 4.11Å; F203-I215 HydrophobicContact CG-CG1 3.75Å; F203-I215 HydrophobicContact CZ-CG1 4.41Å; F203-T218 HydrophobicContact CE1-CG2 3.96Å; F203-L219 HydrophobicContact CZ-CD1 4.13Å; F203-L219 HydrophobicContact CZ-CG 4.2Å; F203-L267 HydrophobicContact CE2-CD1 4.49Å; F203-L267 HydrophobicContact CZ-CD1 4.45Å
204P95.9Very high95.8Very high47 Ų4744.5 Ų44.531%0.30521%0.213SC..  trans-86.570.6-176.233-33.6000111.9W167 A201 R214W167-P204 HydrophobicContact CD2-CB 4.31Å; W167-P204 HydrophobicContact CZ2-CB 4.23Å; A201-P204 HydrophobicContact CB-CB 4.17Å; A201-P204 WeakPolarHBondContact O-CD 3.34Å; P204-R214 WeakPolarHBondContact O-CD 3.4Å; P204-R214 PolarHBondContact O-NE 3.05Å; P204-R214 PolarHBondContact O-NH2 3.15Å
205G95.1Very high95.8Very high1 Ų144.5 Ų44.51%0.0121%0.213CC..  trans-75.9147.1178.500000113.8V163 W167 F203 D210V163-G205 WeakPolarHBondContact CG1-O 3.5Å; W167-G205 PolarHBondContact NE1-O 3.43Å; F203-G205 PolarHBondContact O-N 3.23Å; F203-G205 VanDerWaalsContact O-N 3.09Å; G205-D210 VanDerWaalsContact CA-OD2 3.31Å; G205-D210 WeakPolarHBondContact CA-OD2 3.42Å
206D91.8Very high95.8Very high105 Ų10544 Ų4456%0.56121%0.21SC*.SBendtrans-95.5-15175.664.215.5000114.3D210D206-D210 PolarHBondContact N-OD2 3.11Å; D206-D210 VanDerWaalsContact N-OD2 3.09Å; D206-D210 WeakPolarHBondContact OD1-CB 3.46Å
207S92.3Very high95.8Very high46 Ų4649.9 Ų49.932%0.32223%0.232SC..SBendtrans-154.3160.6-177.358.60000109.5L166 I209 D210 Q211L166-S207 WeakPolarHBondContact CD2-O 3.48Å; S207-I209 PolarHBondContact O-N 2.85Å; S207-D210 PolarHBondContact O-N 3.15Å; S207-D210 VanDerWaalsContact O-N 3.1Å; S207-D210 WeakPolarHBondContact OG-CB 3.45Å; S207-D210 PolarHBondContact OG-N 2.67Å; S207-Q211 WeakPolarHBondContact O-CB 3.3Å; S207-Q211 PolarHBondContact O-N 3.11Å
208E91.9Very high95.8Very high67 Ų6749.9 Ų49.931%0.31323%0.232SC..Hα-helixtrans-58.1-36.7-175-62-170.5147.400112.7L166 R169 L174 L212L166-E208 HydrophobicContact CD1-CG 3.95Å; R169-E208 IonicContact NH1-OE1 3.31Å; R169-E208 PolarHBondContact NH1-OE1 3.14Å; L174-E208 HydrophobicContact CD2-CB 4.04Å; L174-E208 HydrophobicContact CD2-CG 4.2Å; E208-L212 PolarHBondContact O-N 2.93Å
209I94.7Very high96Very high75 Ų7548.7 Ų48.739%0.38523%0.225SC..Hα-helixtrans-71-42.2176.3-168.760.4000112.4S207 Q211 L212 F213 F240S207-I209 PolarHBondContact O-N 2.85Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 3.33Å; I209-L212 PolarHBondContact O-N 2.63Å; I209-F213 HydrophobicContact CD1-CD1 4.29Å; I209-F213 HydrophobicContact CD1-CE1 3.6Å; I209-F213 HydrophobicContact CD1-CE2 4.25Å; I209-F213 HydrophobicContact CD1-CZ 3.59Å; I209-F213 HydrophobicContact CG1-CD2 4.36Å; I209-F213 HydrophobicContact CG1-CE1 4.08Å; I209-F213 HydrophobicContact CG1-CE2 3.8Å; I209-F213 HydrophobicContact CG1-CZ 3.65Å; I209-F213 VanDerWaalsContact O-CG 3.32Å; I209-F213 WeakPolarHBondContact O-CG 3.28Å; I209-F213 PolarHBondContact O-N 2.63Å; I209-F240 HydrophobicContact CD1-CD1 4.45Å; I209-F240 HydrophobicContact CD1-CE1 3.71Å; I209-F240 HydrophobicContact CD1-CZ 4.35Å
210D96Very high96.2Very high27 Ų2742.7 Ų42.714%0.14420%0.204CC..Hα-helixtrans-65.1-38.2175.6-175.750.5000111G205 D206 S207 F213 R214G205-D210 VanDerWaalsContact CA-OD2 3.31Å; G205-D210 WeakPolarHBondContact CA-OD2 3.42Å; D206-D210 PolarHBondContact N-OD2 3.11Å; D206-D210 VanDerWaalsContact N-OD2 3.09Å; D206-D210 WeakPolarHBondContact OD1-CB 3.46Å; S207-D210 PolarHBondContact O-N 3.15Å; S207-D210 VanDerWaalsContact O-N 3.1Å; S207-D210 WeakPolarHBondContact OG-CB 3.45Å; S207-D210 PolarHBondContact OG-N 2.67Å; D210-F213 PolarHBondContact O-N 3.14Å; D210-R214 WeakPolarHBondContact O-CG 3.12Å; D210-R214 PolarHBondContact O-N 3.25Å; D210-R214 IonicContact OD1-NE 2.84Å; D210-R214 IonicContact OD1-NH2 2.97Å; D210-R214 IonicContact OD2-CZ 3.57Å; D210-R214 VanDerWaalsContact OD2-CZ 3.31Å; D210-R214 IonicContact OD2-NE 3.35Å; D210-R214 PolarHBondContact OD2-NE 3.3Å; D210-R214 IonicContact OD2-NH2 2.71Å; D210-R214 PolarHBondContact OD2-NH2 2.67Å
211Q97.2Very high96.5Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-58.6-49.5173.5-174.967.226.100111.4L166 W167 L174 F203 S207 I209 F213 R214 I215L166-Q211 HydrophobicContact CD1-CB 4.25Å; L166-Q211 HydrophobicContact CD1-CG 4.26Å; L166-Q211 HydrophobicContact CD2-CB 3.8Å; L166-Q211 HydrophobicContact CD2-CG 4.39Å; L166-Q211 HydrophobicContact CG-CB 3.75Å; L166-Q211 HydrophobicContact CG-CG 3.8Å; L166-Q211 VanDerWaalsContact O-CD 3.25Å; L166-Q211 PolarHBondContact O-NE2 3.35Å; W167-Q211 PolarHBondContact O-NE2 2.71Å; L174-Q211 HydrophobicContact CD1-CB 4.19Å; L174-Q211 HydrophobicContact CD1-CG 3.55Å; L174-Q211 HydrophobicContact CD2-CB 4.46Å; L174-Q211 HydrophobicContact CD2-CG 4.32Å; F203-Q211 PolarHBondContact O-NE2 3.16Å; F203-Q211 PolarHBondContact O-OE1 3.23Å; S207-Q211 WeakPolarHBondContact O-CB 3.3Å; S207-Q211 PolarHBondContact O-N 3.11Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 3.33Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 2.99Å; Q211-R214 PolarHBondContact O-N 2.84Å; Q211-I215 HydrophobicContact CG-CD1 4.2Å; Q211-I215 VanDerWaalsContact O-CG1 3.3Å; Q211-I215 WeakPolarHBondContact O-CG1 3.48Å; Q211-I215 PolarHBondContact O-N 2.58Å
212L97.5Very high96.5Very high5 Ų533.3 Ų33.33%0.02617%0.167CC..Hα-helixtrans-57.1-45.8174.3-79.1171.6000111.3P171 L174 L175 E208 I209 R214 I215 F216P171-L212 HydrophobicContact CB-CD2 4.46Å; L174-L212 HydrophobicContact CB-CD1 4.13Å; L174-L212 HydrophobicContact CB-CD2 3.59Å; L174-L212 HydrophobicContact CB-CG 3.75Å; L174-L212 HydrophobicContact CD1-CD2 3.97Å; L174-L212 HydrophobicContact CD1-CG 4.12Å; L174-L212 HydrophobicContact CG-CD2 4.43Å; L174-L212 HydrophobicContact CG-CG 4.48Å; L175-L212 HydrophobicContact CD2-CD1 3.91Å; L175-L212 HydrophobicContact CD2-CD2 4.18Å; L175-L212 HydrophobicContact CG-CD1 4.49Å; L175-L212 HydrophobicContact CG-CD2 4.07Å; E208-L212 PolarHBondContact O-N 2.93Å; I209-L212 PolarHBondContact O-N 2.63Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 2.98Å; L212-I215 WeakPolarHBondContact O-CB 3.28Å; L212-I215 PolarHBondContact O-N 3.38Å; L212-F216 HydrophobicContact CB-CE2 4.16Å; L212-F216 HydrophobicContact CB-CZ 4.08Å; L212-F216 HydrophobicContact CD2-CE1 3.92Å; L212-F216 HydrophobicContact CD2-CZ 3.75Å; L212-F216 HydrophobicContact CG-CZ 4.4Å; L212-F216 WeakPolarHBondContact O-CB 3.43Å; L212-F216 VanDerWaalsContact O-CD1 3.24Å; L212-F216 WeakPolarHBondContact O-CD1 3.39Å; L212-F216 WeakPolarHBondContact O-CG 3.47Å; L212-F216 PolarHBondContact O-N 3.3Å
213F98.1Very high96.5Very high49 Ų4935.4 Ų35.422%0.21518%0.178CC..Hα-helixtrans-64.6-35.4-179.9-68.7-10.1000113I209 D210 Q211 F216 R217 F240 P241 W243I209-F213 HydrophobicContact CD1-CD1 4.29Å; I209-F213 HydrophobicContact CD1-CE1 3.6Å; I209-F213 HydrophobicContact CD1-CE2 4.25Å; I209-F213 HydrophobicContact CD1-CZ 3.59Å; I209-F213 HydrophobicContact CG1-CD2 4.36Å; I209-F213 HydrophobicContact CG1-CE1 4.08Å; I209-F213 HydrophobicContact CG1-CE2 3.8Å; I209-F213 HydrophobicContact CG1-CZ 3.65Å; I209-F213 VanDerWaalsContact O-CG 3.32Å; I209-F213 WeakPolarHBondContact O-CG 3.28Å; I209-F213 PolarHBondContact O-N 2.63Å; D210-F213 PolarHBondContact O-N 3.14Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 2.99Å; F213-F216 HydrophobicContact CD1-CD2 4.24Å; F213-F216 PolarHBondContact O-N 3.17Å; F213-R217 VanDerWaalsContact O-CB 3.32Å; F213-R217 WeakPolarHBondContact O-CB 3.38Å; F213-R217 WeakPolarHBondContact O-CG 3.45Å; F213-R217 PolarHBondContact O-N 2.89Å; F213-F240 AromaticContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CE1 4.26Å; F213-F240 HydrophobicContact CE1-CG 4.45Å; F213-F240 HydrophobicContact CZ-CD1 4.35Å; F213-P241 HydrophobicContact CZ-CG 4.49Å; F213-W243 HydrophobicContact CB-CH2 3.91Å; F213-W243 HydrophobicContact CB-CZ3 4.18Å; F213-W243 AromaticContact CD1-CH2 3.94Å; F213-W243 HydrophobicContact CD1-CH2 3.94Å; F213-W243 AromaticContact CD1-CZ3 3.85Å; F213-W243 HydrophobicContact CD1-CZ3 3.85Å; F213-W243 HydrophobicContact CD2-CH2 4.33Å; F213-W243 AromaticContact CG-CH2 3.81Å; F213-W243 HydrophobicContact CG-CH2 3.81Å; F213-W243 HydrophobicContact CG-CZ3 4.12Å
214R98Very high96.4Very high80 Ų8039.1 Ų39.130%0.30220%0.196SC..Hα-helixtrans-66.8-40.7173.6-71.8174.4-169.3-92.23.3112.5F203 P204 D210 Q211 L212 T218F203-R214 HydrophobicContact CB-CB 4.34Å; F203-R214 HydrophobicContact CD1-CB 4.49Å; P204-R214 WeakPolarHBondContact O-CD 3.4Å; P204-R214 PolarHBondContact O-NE 3.05Å; P204-R214 PolarHBondContact O-NH2 3.15Å; D210-R214 WeakPolarHBondContact O-CG 3.12Å; D210-R214 PolarHBondContact O-N 3.25Å; D210-R214 IonicContact OD1-NE 2.84Å; D210-R214 IonicContact OD1-NH2 2.97Å; D210-R214 IonicContact OD2-CZ 3.57Å; D210-R214 VanDerWaalsContact OD2-CZ 3.31Å; D210-R214 IonicContact OD2-NE 3.35Å; D210-R214 PolarHBondContact OD2-NE 3.3Å; D210-R214 IonicContact OD2-NH2 2.71Å; D210-R214 PolarHBondContact OD2-NH2 2.67Å; Q211-R214 PolarHBondContact O-N 2.84Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 2.98Å; R214-T218 PolarHBondContact O-N 3.17Å; R214-T218 PolarHBondContact O-OG1 3.28Å
215I98.5Very high96.3Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-60.2-51.4173.2-65.5166.1000109.2L174 W187 F203 Q211 L212 R217 T218 L219 Y269L174-I215 HydrophobicContact CD1-CD1 3.73Å; W187-I215 HydrophobicContact CH2-CG2 3.77Å; W187-I215 HydrophobicContact CZ2-CD1 3.9Å; W187-I215 HydrophobicContact CZ2-CG1 4.07Å; W187-I215 HydrophobicContact CZ2-CG2 3.87Å; F203-I215 HydrophobicContact CB-CG1 4.21Å; F203-I215 HydrophobicContact CD1-CG1 4.08Å; F203-I215 HydrophobicContact CD2-CG1 3.77Å; F203-I215 HydrophobicContact CE1-CG1 4.41Å; F203-I215 HydrophobicContact CE2-CG1 4.11Å; F203-I215 HydrophobicContact CG-CG1 3.75Å; F203-I215 HydrophobicContact CZ-CG1 4.41Å; Q211-I215 HydrophobicContact CG-CD1 4.2Å; Q211-I215 VanDerWaalsContact O-CG1 3.3Å; Q211-I215 WeakPolarHBondContact O-CG1 3.48Å; Q211-I215 PolarHBondContact O-N 2.58Å; L212-I215 WeakPolarHBondContact O-CB 3.28Å; L212-I215 PolarHBondContact O-N 3.38Å; I215-R217 PolarHBondContact O-N 2.8Å; I215-T218 PolarHBondContact O-N 3.2Å; I215-T218 VanDerWaalsContact O-N 3.09Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 PolarHBondContact O-N 3.24Å; I215-Y269 HydrophobicContact CG2-CE1 3.79Å
216F98.3Very high96.3Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-65.3-39.3-176.4-60.3-10.5000112.8L212 F213 T218 G220 T221 P222 F240 W243 Y269L212-F216 HydrophobicContact CB-CE2 4.16Å; L212-F216 HydrophobicContact CB-CZ 4.08Å; L212-F216 HydrophobicContact CD2-CE1 3.92Å; L212-F216 HydrophobicContact CD2-CZ 3.75Å; L212-F216 HydrophobicContact CG-CZ 4.4Å; L212-F216 WeakPolarHBondContact O-CB 3.43Å; L212-F216 VanDerWaalsContact O-CD1 3.24Å; L212-F216 WeakPolarHBondContact O-CD1 3.39Å; L212-F216 WeakPolarHBondContact O-CG 3.47Å; L212-F216 PolarHBondContact O-N 3.3Å; F213-F216 HydrophobicContact CD1-CD2 4.24Å; F213-F216 PolarHBondContact O-N 3.17Å; F216-T218 PolarHBondContact O-N 2.82Å; F216-G220 CarbonylContact O-C 3.23Å; F216-G220 VanDerWaalsContact O-C 3.23Å; F216-G220 WeakPolarHBondContact O-CA 3.48Å; F216-G220 PolarHBondContact O-N 2.75Å; F216-T221 HydrophobicContact CD2-CG2 4.12Å; F216-T221 HydrophobicContact CE2-CG2 4.46Å; F216-P222 HydrophobicContact CD1-CG 4.39Å; F216-P222 VanDerWaalsContact CE1-CD 3.44Å; F216-P222 HydrophobicContact CE1-CG 3.82Å; F216-P222 HydrophobicContact CZ-CG 4.17Å; F216-F240 HydrophobicContact CE2-CB 4.44Å; F216-F240 AromaticContact CE2-CD2 3.79Å; F216-F240 HydrophobicContact CE2-CD2 3.79Å; F216-F240 HydrophobicContact CE2-CE2 4.18Å; F216-F240 HydrophobicContact CE2-CG 4.17Å; F216-F240 HydrophobicContact CZ-CD2 4.4Å; F216-F240 HydrophobicContact CZ-CE2 4.49Å; F216-W243 HydrophobicContact CB-CE3 3.56Å; F216-W243 HydrophobicContact CB-CZ3 3.91Å; F216-W243 HydrophobicContact CD2-CE3 4.5Å; F216-W243 HydrophobicContact CD2-CZ3 4.23Å; F216-W243 WeakPolarHBondContact O-CB 3.41Å; F216-Y269 HydrophobicContact CD1-CE1 4.39Å; F216-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F216-Y269 HydrophobicContact CE1-CE1 4.35Å
217R97.8Very high96.5Very high124 Ų12441.1 Ų41.147%0.46821%0.209SC..Hα-helixtrans-58.5-29.9174.5-80.4174.5-178.1-174.42.7112.9F213 I215 W243 Q246F213-R217 VanDerWaalsContact O-CB 3.32Å; F213-R217 WeakPolarHBondContact O-CB 3.38Å; F213-R217 WeakPolarHBondContact O-CG 3.45Å; F213-R217 PolarHBondContact O-N 2.89Å; I215-R217 PolarHBondContact O-N 2.8Å; R217-W243 HydrophobicContact CG-CD2 3.66Å; R217-W243 VanDerWaalsContact CG-CE2 3.47Å; R217-W243 HydrophobicContact CG-CE3 4.24Å; R217-W243 HydrophobicContact CG-CG 3.94Å; R217-W243 HydrophobicContact CG-CH2 4.36Å; R217-W243 HydrophobicContact CG-CZ2 3.87Å; R217-Q246 PolarHBondContact O-NE2 3.23Å
218T97.4Very high96.7Very high18 Ų1842.3 Ų42.311%0.1122%0.216CC..Hα-helixtrans-93.5-48.5-177.4-51.70000111.4F203 R214 I215 F216 Q246 V251F203-T218 HydrophobicContact CE1-CG2 3.96Å; R214-T218 PolarHBondContact O-N 3.17Å; R214-T218 PolarHBondContact O-OG1 3.28Å; I215-T218 PolarHBondContact O-N 3.2Å; I215-T218 VanDerWaalsContact O-N 3.09Å; F216-T218 PolarHBondContact O-N 2.82Å; T218-Q246 WeakPolarHBondContact O-CB 3.46Å; T218-Q246 PolarHBondContact O-N 3.25Å; T218-V251 HydrophobicContact CG2-CB 4.43Å; T218-V251 HydrophobicContact CG2-CG1 3.77Å; T218-V251 HydrophobicContact CG2-CG2 3.76Å
219L97.9Very high96.9Very high5 Ų540.8 Ų40.83%0.02622%0.218CC..Hα-helixtrans-97.7-3.7-171.3-58.4-175.4000113.9W187 F203 I215 R245 F248 L267 Y269W187-L219 HydrophobicContact CH2-CD1 3.49Å; W187-L219 VanDerWaalsContact CH2-CD1 3.49Å; W187-L219 HydrophobicContact CZ2-CD1 4.39Å; W187-L219 HydrophobicContact CZ3-CD1 4.1Å; F203-L219 HydrophobicContact CZ-CD1 4.13Å; F203-L219 HydrophobicContact CZ-CG 4.2Å; I215-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 PolarHBondContact O-N 3.24Å; L219-R245 WeakPolarHBondContact O-CB 3.36Å; L219-R245 WeakPolarHBondContact O-CG 3.3Å; L219-R245 PolarHBondContact O-NH1 2.88Å; L219-F248 HydrophobicContact CD2-CE1 3.95Å; L219-F248 HydrophobicContact CD2-CE2 4.34Å; L219-F248 HydrophobicContact CD2-CZ 3.46Å; L219-F248 VanDerWaalsContact CD2-CZ 3.46Å; L219-L267 HydrophobicContact CD1-CB 4.23Å; L219-Y269 HydrophobicContact CB-CE2 3.75Å; L219-Y269 WeakPolarHBondContact CB-OH 3.34Å
220G98.1Very high96.9Very high7 Ų737.2 Ų37.27%0.07220%0.2CC..  trans86.4150.8-170.800000111.8F216 W243 Y269F216-G220 CarbonylContact O-C 3.23Å; F216-G220 VanDerWaalsContact O-C 3.23Å; F216-G220 WeakPolarHBondContact O-CA 3.48Å; F216-G220 PolarHBondContact O-N 2.75Å; G220-W243 CarbonylContact C-O 3.6Å; G220-W243 VanDerWaalsContact CA-O 3.24Å; G220-W243 WeakPolarHBondContact CA-O 3.14Å; G220-Y269 WeakPolarHBondContact O-CE2 3.43Å; G220-Y269 PolarHBondContact O-OH 3.21Å
221T98.3Very high96.9Very high17 Ų1739.2 Ų39.210%0.10421%0.213CC..  trans-71.1124.1175.3-53.60000109.5F216 F240 P241 K242 W243F216-T221 HydrophobicContact CD2-CG2 4.12Å; F216-T221 HydrophobicContact CE2-CG2 4.46Å; T221-F240 HydrophobicContact CG2-CB 4.38Å; T221-P241 WeakPolarHBondContact CG2-O 3.45Å; T221-P241 PolarHBondContact OG1-O 2.86Å; T221-K242 HydrophobicContact CG2-CD 4.12Å; T221-W243 PolarHBondContact N-O 3.34Å; T221-W243 PolarHBondContact OG1-N 3.28Å
222P97.4Very high96.8Very high1 Ų144.2 Ų44.21%0.00625%0.248CC..  trans-70145.3-17629.1-34.7000112F216 W227 V230 Y236 Y269F216-P222 HydrophobicContact CD1-CG 4.39Å; F216-P222 VanDerWaalsContact CE1-CD 3.44Å; F216-P222 HydrophobicContact CE1-CG 3.82Å; F216-P222 HydrophobicContact CZ-CG 4.17Å; P222-W227 HydrophobicContact CB-CB 4.4Å; P222-W227 HydrophobicContact CB-CE3 4.08Å; P222-W227 HydrophobicContact CG-CE3 4.32Å; P222-V230 HydrophobicContact CB-CG2 4.29Å; P222-V230 HydrophobicContact CG-CG2 4.2Å; P222-Y236 PolarHBondContact O-OH 3.26Å; P222-Y236 VanDerWaalsContact O-OH 3.04Å; P222-Y269 HydrophobicContact CB-CD1 4.41Å; P222-Y269 HydrophobicContact CB-CD2 4.21Å; P222-Y269 HydrophobicContact CB-CE1 4.5Å; P222-Y269 HydrophobicContact CB-CE2 4.25Å; P222-Y269 HydrophobicContact CB-CG 4.28Å; P222-Y269 HydrophobicContact CG-CD1 4.49Å; P222-Y269 HydrophobicContact CG-CE1 4.25Å
223D95.9Very high96.6Very high70 Ų7045.4 Ų45.437%0.37425%0.254SS..  trans-132.7-177.8173.663.614.2000110.2V225 V226 W227D223-V225 PolarHBondContact O-N 2.97Å; D223-V225 WeakPolarHBondContact OD1-CB 3.19Å; D223-V225 PolarHBondContact OD1-N 3.43Å; D223-V226 PolarHBondContact O-N 3.28Å; D223-V226 PolarHBondContact OD1-N 3.28Å; D223-W227 CarbonylContact O-C 3.44Å; D223-W227 PolarHBondContact O-N 2.7Å
224E96.2Very high96.4Very high78 Ų7847 Ų4736%0.36427%0.269SS..THydrogen-bonded Turntrans-65.9-15.7-179.7-70.2-61.7142.700113.9P228 G229 V230 T231E224-P228 WeakPolarHBondContact O-CG 3.08Å; E224-P228 WeakPolarHBondContact OE2-CA 3Å; E224-G229 PolarHBondContact OE2-N 3.49Å; E224-V230 PolarHBondContact OE1-N 2.9Å; E224-T231 HydrophobicContact CG-CG2 3.83Å; E224-T231 WeakPolarHBondContact OE1-CB 3.35Å; E224-T231 WeakPolarHBondContact OE1-CG2 3.46Å; E224-T231 PolarHBondContact OE1-N 3.18Å; E224-T231 PolarHBondContact OE1-OG1 2.81Å
225V94.8Very high96.3Very high122 Ų12247 Ų4774%0.73928%0.275SS*.THydrogen-bonded Turntrans-80.6-49.7176.5-179.80000109.9D223D223-V225 PolarHBondContact O-N 2.97Å; D223-V225 WeakPolarHBondContact OD1-CB 3.19Å; D223-V225 PolarHBondContact OD1-N 3.43Å
226V94.3Very high96.2Very high65 Ų6547.9 Ų47.939%0.39428%0.279SS..THydrogen-bonded Turntrans-75.6-35.8-178.4179.20000111.4D223 Y269D223-V226 PolarHBondContact O-N 3.28Å; D223-V226 PolarHBondContact OD1-N 3.28Å; V226-Y269 HydrophobicContact CG1-CD2 3.8Å
227W96.8Very high96.1Very high7 Ų752.6 Ų52.63%0.02730%0.299CS..SBendtrans-141.786.1-178.2-171.9-0.1000111.1P171 E172 L175 P222 D223 G229 V230 M233 Y269 D270 P271P171-W227 HydrophobicContact CB-CH2 4.35Å; P171-W227 HydrophobicContact CB-CZ3 4.11Å; P171-W227 HydrophobicContact CG-CH2 4.32Å; P171-W227 HydrophobicContact CG-CZ3 4.23Å; E172-W227 HydrophobicContact CB-CH2 3.74Å; E172-W227 HydrophobicContact CB-CZ2 3.79Å; L175-W227 HydrophobicContact CD1-CH2 4.03Å; L175-W227 HydrophobicContact CD1-CZ3 3.68Å; P222-W227 HydrophobicContact CB-CB 4.4Å; P222-W227 HydrophobicContact CB-CE3 4.08Å; P222-W227 HydrophobicContact CG-CE3 4.32Å; D223-W227 CarbonylContact O-C 3.44Å; D223-W227 PolarHBondContact O-N 2.7Å; W227-G229 PolarHBondContact O-N 2.61Å; W227-V230 HydrophobicContact CB-CB 3.98Å; W227-V230 HydrophobicContact CB-CG1 4.31Å; W227-V230 HydrophobicContact CD2-CB 3.83Å; W227-V230 HydrophobicContact CD2-CG2 3.76Å; W227-V230 HydrophobicContact CE3-CB 3.98Å; W227-V230 HydrophobicContact CE3-CG2 3.4Å; W227-V230 HydrophobicContact CG-CB 3.82Å; W227-V230 HydrophobicContact CG-CG2 4.27Å; W227-V230 HydrophobicContact CZ3-CG2 3.86Å; W227-V230 VanDerWaalsContact O-CB 3.26Å; W227-V230 WeakPolarHBondContact O-CB 3.48Å; W227-V230 VanDerWaalsContact O-CG1 3.23Å; W227-V230 WeakPolarHBondContact O-CG1 3.48Å; W227-V230 PolarHBondContact O-N 3.19Å; W227-M233 HydrophobicContact CH2-CE 3.71Å; W227-M233 HydrophobicContact CH2-SD 3.86Å; W227-M233 HydrophobicContact CZ2-CE 3.1Å; W227-M233 HydrophobicContact CZ2-SD 3.9Å; W227-Y269 AromaticContact CE3-CD1 3.98Å; W227-Y269 HydrophobicContact CE3-CD1 3.98Å; W227-Y269 HydrophobicContact CE3-CG 4.17Å; W227-Y269 HydrophobicContact CZ3-CD1 4.03Å; W227-D270 HydrophobicContact CG-CB 4.36Å; W227-P271 HydrophobicContact CZ2-CG 4.17Å
228P96.1Very high95.9Very high71 Ų7151.7 Ų51.746%0.46131%0.309SS..THydrogen-bonded Turntrans-55.3128.6176.2-25.234.1000111.9E224E224-P228 WeakPolarHBondContact O-CG 3.08Å; E224-P228 WeakPolarHBondContact OE2-CA 3Å
229G94.8Very high95.8Very high35 Ų3555.9 Ų55.936%0.36134%0.339SS..THydrogen-bonded Turntrans89.7-3.2-177.100000115.3E224 W227 T231 S232E224-G229 PolarHBondContact OE2-N 3.49Å; W227-G229 PolarHBondContact O-N 2.61Å; G229-T231 PolarHBondContact O-N 3.03Å; G229-S232 WeakPolarHBondContact O-CB 3.18Å; G229-S232 PolarHBondContact O-N 2.93Å; G229-S232 VanDerWaalsContact O-N 3.11Å
230V95.9Very high95.8Very high0 Ų056.3 Ų56.30%034%0.341CS..G310 helixtrans-60.6-33.7-178.171.20000112.6L175 P222 E224 W227 S232 M233 Y236L175-V230 HydrophobicContact CD1-CG2 3.94Å; P222-V230 HydrophobicContact CB-CG2 4.29Å; P222-V230 HydrophobicContact CG-CG2 4.2Å; E224-V230 PolarHBondContact OE1-N 2.9Å; W227-V230 HydrophobicContact CB-CB 3.98Å; W227-V230 HydrophobicContact CB-CG1 4.31Å; W227-V230 HydrophobicContact CD2-CB 3.83Å; W227-V230 HydrophobicContact CD2-CG2 3.76Å; W227-V230 HydrophobicContact CE3-CB 3.98Å; W227-V230 HydrophobicContact CE3-CG2 3.4Å; W227-V230 HydrophobicContact CG-CB 3.82Å; W227-V230 HydrophobicContact CG-CG2 4.27Å; W227-V230 HydrophobicContact CZ3-CG2 3.86Å; W227-V230 VanDerWaalsContact O-CB 3.26Å; W227-V230 WeakPolarHBondContact O-CB 3.48Å; W227-V230 VanDerWaalsContact O-CG1 3.23Å; W227-V230 WeakPolarHBondContact O-CG1 3.48Å; W227-V230 PolarHBondContact O-N 3.19Å; V230-S232 PolarHBondContact O-N 3.38Å; V230-M233 HydrophobicContact CG2-SD 4.43Å; V230-M233 WeakPolarHBondContact O-CB 3.07Å; V230-M233 WeakPolarHBondContact O-CG 3.09Å; V230-M233 PolarHBondContact O-N 3.34Å; V230-Y236 HydrophobicContact CG1-CE2 4.13Å; V230-Y236 HydrophobicContact CG2-CD2 3.77Å; V230-Y236 HydrophobicContact CG2-CE2 3.95Å; V230-Y236 WeakPolarHBondContact O-CB 3.31Å
231T95.8Very high95.8Very high70 Ų7058.6 Ų58.643%0.42936%0.355SS..G310 helixtrans-69.3-17.1-179.861.20000113.4E224 G229 Y236E224-T231 HydrophobicContact CG-CG2 3.83Å; E224-T231 WeakPolarHBondContact OE1-CB 3.35Å; E224-T231 WeakPolarHBondContact OE1-CG2 3.46Å; E224-T231 PolarHBondContact OE1-N 3.18Å; E224-T231 PolarHBondContact OE1-OG1 2.81Å; G229-T231 PolarHBondContact O-N 3.03Å; T231-Y236 HydrophobicContact CG2-CD1 4.3Å; T231-Y236 HydrophobicContact CG2-CE1 3.79Å
232S94.6Very high95.7Very high104 Ų10464.2 Ų64.273%0.72738%0.378SS*.G310 helixtrans-88.5-2.4177.3-59.20000113.2G229 V230G229-S232 WeakPolarHBondContact O-CB 3.18Å; G229-S232 PolarHBondContact O-N 2.93Å; G229-S232 VanDerWaalsContact O-N 3.11Å; V230-S232 PolarHBondContact O-N 3.38Å
233M93.9Very high95.7Very high31 Ų3167.5 Ų67.515%0.15339%0.39CS..SBendtrans-71.5142.6179.6-65.5-165.6170.200111.7E172 L175 W227 V230 D235 Y236E172-M233 HydrophobicContact CB-CE 4.47Å; L175-M233 HydrophobicContact CB-CB 4.05Å; L175-M233 HydrophobicContact CB-CG 4.48Å; L175-M233 HydrophobicContact CB-SD 3.59Å; L175-M233 VanDerWaalsContact CB-SD 3.59Å; L175-M233 HydrophobicContact CD1-SD 3.8Å; L175-M233 HydrophobicContact CG-SD 4.36Å; W227-M233 HydrophobicContact CH2-CE 3.71Å; W227-M233 HydrophobicContact CH2-SD 3.86Å; W227-M233 HydrophobicContact CZ2-CE 3.1Å; W227-M233 HydrophobicContact CZ2-SD 3.9Å; V230-M233 HydrophobicContact CG2-SD 4.43Å; V230-M233 WeakPolarHBondContact O-CB 3.07Å; V230-M233 WeakPolarHBondContact O-CG 3.09Å; V230-M233 PolarHBondContact O-N 3.34Å; M233-D235 VanDerWaalsContact C-N 3.25Å; M233-D235 PolarHBondContact O-N 3.33Å; M233-D235 VanDerWaalsContact O-N 3.13Å; M233-Y236 PolarHBondContact O-N 3.35Å; M233-Y236 VanDerWaalsContact O-N 3.1Å
234P94.4Very high95.8Very high83 Ų8368.2 Ų68.254%0.53941%0.405SS..THydrogen-bonded Turntrans-51.6-41.6-173.6-29.736.2000114.5L175L175-P234 WeakPolarHBondContact O-CD 3.4Å
235D95Very high95.8Very high80 Ų8070.2 Ų70.243%0.42841%0.41SS..THydrogen-bonded Turntrans-103.98.2-173.6-57.1-50.5000113L175 G176 M233 K237 F240L175-D235 PolarHBondContact O-N 3.19Å; G176-D235 VanDerWaalsContact CA-OD2 3.28Å; G176-D235 WeakPolarHBondContact CA-OD2 3.16Å; G176-D235 PolarHBondContact N-OD2 2.83Å; M233-D235 VanDerWaalsContact C-N 3.25Å; M233-D235 PolarHBondContact O-N 3.33Å; M233-D235 VanDerWaalsContact O-N 3.13Å; D235-K237 PolarHBondContact O-N 3.11Å; D235-F240 VanDerWaalsContact O-CZ 3.3Å; D235-F240 WeakPolarHBondContact O-CZ 3.16Å
236Y96.5Very high95.9Very high18 Ų1868.6 Ų68.67%0.07139%0.394CS..  trans-69.5131.7170.3-171.9-89.6000110.8L175 P222 V230 T231 M233 F240L175-Y236 HydrophobicContact CD2-CD2 4.47Å; P222-Y236 PolarHBondContact O-OH 3.26Å; P222-Y236 VanDerWaalsContact O-OH 3.04Å; V230-Y236 HydrophobicContact CG1-CE2 4.13Å; V230-Y236 HydrophobicContact CG2-CD2 3.77Å; V230-Y236 HydrophobicContact CG2-CE2 3.95Å; V230-Y236 WeakPolarHBondContact O-CB 3.31Å; T231-Y236 HydrophobicContact CG2-CD1 4.3Å; T231-Y236 HydrophobicContact CG2-CE1 3.79Å; M233-Y236 PolarHBondContact O-N 3.35Å; M233-Y236 VanDerWaalsContact O-N 3.1Å; Y236-F240 HydrophobicContact CD2-CD2 4.32Å; Y236-F240 HydrophobicContact CD2-CE2 4.23Å; Y236-F240 HydrophobicContact CE2-CD2 4.39Å; Y236-F240 HydrophobicContact CG-CE2 4.49Å
237K96.3Very high95.9Very high98 Ų9870 Ų7043%0.42640%0.399SS..  trans-120.2124174.3-53.1-60.9170.9-1550109.8D235 S239 F240D235-K237 PolarHBondContact O-N 3.11Å; K237-S239 PolarHBondContact O-N 3.21Å; K237-S239 VanDerWaalsContact O-N 3.08Å; K237-F240 HydrophobicContact CB-CD1 3.87Å; K237-F240 HydrophobicContact CB-CD2 4.36Å; K237-F240 HydrophobicContact CB-CE1 3.67Å; K237-F240 HydrophobicContact CB-CE2 4.21Å; K237-F240 HydrophobicContact CB-CG 4.21Å; K237-F240 HydrophobicContact CB-CZ 3.86Å; K237-F240 HydrophobicContact CG-CD1 4.44Å; K237-F240 HydrophobicContact CG-CE1 3.76Å; K237-F240 HydrophobicContact CG-CZ 3.84Å; K237-F240 WeakPolarHBondContact O-CB 3.45Å; K237-F240 WeakPolarHBondContact O-CD2 3.26Å; K237-F240 WeakPolarHBondContact O-CG 3.43Å; K237-F240 PolarHBondContact O-N 3.3Å
238P93.4Very high95.7Very high105 Ų10570.3 Ų70.368%0.68240%0.401SS*.THydrogen-bonded Turntrans-56.4-26.5174.2-26.434.8000113.4F240P238-F240 VanDerWaalsContact C-N 3.26Å; P238-F240 PolarHBondContact O-N 3.06Å
239S95.9Very high95.6Very high106 Ų10668.8 Ų68.874%0.74139%0.392SS*.THydrogen-bonded Turntrans-76.5-0.6177.555.90000114.9K237K237-S239 PolarHBondContact O-N 3.21Å; K237-S239 VanDerWaalsContact O-N 3.08Å
240F97.1Very high95.6Very high15 Ų1574.9 Ų74.97%0.06641%0.409CS..SBendtrans-56.7138.9173.3-70.2-32.2000111L175 I209 F213 F216 T221 D235 Y236 K237 P238L175-F240 HydrophobicContact CD2-CE2 3.96Å; L175-F240 HydrophobicContact CD2-CZ 4.44Å; I209-F240 HydrophobicContact CD1-CD1 4.45Å; I209-F240 HydrophobicContact CD1-CE1 3.71Å; I209-F240 HydrophobicContact CD1-CZ 4.35Å; F213-F240 AromaticContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CE1 4.26Å; F213-F240 HydrophobicContact CE1-CG 4.45Å; F213-F240 HydrophobicContact CZ-CD1 4.35Å; F216-F240 HydrophobicContact CE2-CB 4.44Å; F216-F240 AromaticContact CE2-CD2 3.79Å; F216-F240 HydrophobicContact CE2-CD2 3.79Å; F216-F240 HydrophobicContact CE2-CE2 4.18Å; F216-F240 HydrophobicContact CE2-CG 4.17Å; F216-F240 HydrophobicContact CZ-CD2 4.4Å; F216-F240 HydrophobicContact CZ-CE2 4.49Å; T221-F240 HydrophobicContact CG2-CB 4.38Å; D235-F240 VanDerWaalsContact O-CZ 3.3Å; D235-F240 WeakPolarHBondContact O-CZ 3.16Å; Y236-F240 HydrophobicContact CD2-CD2 4.32Å; Y236-F240 HydrophobicContact CD2-CE2 4.23Å; Y236-F240 HydrophobicContact CE2-CD2 4.39Å; Y236-F240 HydrophobicContact CG-CE2 4.49Å; K237-F240 HydrophobicContact CB-CD1 3.87Å; K237-F240 HydrophobicContact CB-CD2 4.36Å; K237-F240 HydrophobicContact CB-CE1 3.67Å; K237-F240 HydrophobicContact CB-CE2 4.21Å; K237-F240 HydrophobicContact CB-CG 4.21Å; K237-F240 HydrophobicContact CB-CZ 3.86Å; K237-F240 HydrophobicContact CG-CD1 4.44Å; K237-F240 HydrophobicContact CG-CE1 3.76Å; K237-F240 HydrophobicContact CG-CZ 3.84Å; K237-F240 WeakPolarHBondContact O-CB 3.45Å; K237-F240 WeakPolarHBondContact O-CD2 3.26Å; K237-F240 WeakPolarHBondContact O-CG 3.43Å; K237-F240 PolarHBondContact O-N 3.3Å; P238-F240 VanDerWaalsContact C-N 3.26Å; P238-F240 PolarHBondContact O-N 3.06Å
241P97.6Very high95.5Very high55 Ų5576.3 Ų76.336%0.35742%0.417SS..  trans-58.2144.9178.3-2031.1000110.6F213 T221 W243F213-P241 HydrophobicContact CZ-CG 4.49Å; T221-P241 WeakPolarHBondContact CG2-O 3.45Å; T221-P241 PolarHBondContact OG1-O 2.86Å; P241-W243 HydrophobicContact CB-CD2 4.25Å; P241-W243 HydrophobicContact CB-CE3 4.04Å; P241-W243 HydrophobicContact CB-CH2 3.42Å; P241-W243 VanDerWaalsContact CB-CH2 3.42Å; P241-W243 HydrophobicContact CB-CZ2 3.58Å; P241-W243 HydrophobicContact CB-CZ3 3.64Å; P241-W243 HydrophobicContact CG-CH2 3.44Å; P241-W243 VanDerWaalsContact CG-CH2 3.44Å; P241-W243 HydrophobicContact CG-CZ2 3.94Å; P241-W243 HydrophobicContact CG-CZ3 3.9Å
242K97.2Very high95.5Very high134 Ų13473 Ų7358%0.58340%0.397SS*.  trans-96.8108-177.7-56.5-57.6-178.5-176.40109.4T221T221-K242 HydrophobicContact CG2-CD 4.12Å
243W98.2Very high95.4Very high70 Ų7072 Ų7227%0.26539%0.388SS..  trans-107.3145.6174.1-67.9-73.8000110.6F213 F216 R217 G220 T221 P241F213-W243 HydrophobicContact CB-CH2 3.91Å; F213-W243 HydrophobicContact CB-CZ3 4.18Å; F213-W243 AromaticContact CD1-CH2 3.94Å; F213-W243 HydrophobicContact CD1-CH2 3.94Å; F213-W243 AromaticContact CD1-CZ3 3.85Å; F213-W243 HydrophobicContact CD1-CZ3 3.85Å; F213-W243 HydrophobicContact CD2-CH2 4.33Å; F213-W243 AromaticContact CG-CH2 3.81Å; F213-W243 HydrophobicContact CG-CH2 3.81Å; F213-W243 HydrophobicContact CG-CZ3 4.12Å; F216-W243 HydrophobicContact CB-CE3 3.56Å; F216-W243 HydrophobicContact CB-CZ3 3.91Å; F216-W243 HydrophobicContact CD2-CE3 4.5Å; F216-W243 HydrophobicContact CD2-CZ3 4.23Å; F216-W243 WeakPolarHBondContact O-CB 3.41Å; R217-W243 HydrophobicContact CG-CD2 3.66Å; R217-W243 VanDerWaalsContact CG-CE2 3.47Å; R217-W243 HydrophobicContact CG-CE3 4.24Å; R217-W243 HydrophobicContact CG-CG 3.94Å; R217-W243 HydrophobicContact CG-CH2 4.36Å; R217-W243 HydrophobicContact CG-CZ2 3.87Å; G220-W243 CarbonylContact C-O 3.6Å; G220-W243 VanDerWaalsContact CA-O 3.24Å; G220-W243 WeakPolarHBondContact CA-O 3.14Å; T221-W243 PolarHBondContact N-O 3.34Å; T221-W243 PolarHBondContact OG1-N 3.28Å; P241-W243 HydrophobicContact CB-CD2 4.25Å; P241-W243 HydrophobicContact CB-CE3 4.04Å; P241-W243 HydrophobicContact CB-CH2 3.42Å; P241-W243 VanDerWaalsContact CB-CH2 3.42Å; P241-W243 HydrophobicContact CB-CZ2 3.58Å; P241-W243 HydrophobicContact CB-CZ3 3.64Å; P241-W243 HydrophobicContact CG-CH2 3.44Å; P241-W243 VanDerWaalsContact CG-CH2 3.44Å; P241-W243 HydrophobicContact CG-CZ2 3.94Å; P241-W243 HydrophobicContact CG-CZ3 3.9Å
244A97.1Very high95.4Very high85 Ų8574.8 Ų74.870%0.70241%0.409SS*.PPolyproline II helixtrans-80.6151.817100000110.6Q246A244-Q246 PolarHBondContact O-N 3.36Å
245R96.2Very high95.4Very high120 Ų12071 Ų7145%0.45338%0.384SS..BIsolated β-bridgetrans-66.1132.2174.1-177174-173.891.8-6.9110.4L219L219-R245 WeakPolarHBondContact O-CB 3.36Å; L219-R245 WeakPolarHBondContact O-CG 3.3Å; L219-R245 PolarHBondContact O-NH1 2.88Å
246Q96.2Very high95.4Very high89 Ų8969.9 Ų69.942%0.41638%0.378SS..PPolyproline II helixtrans-85.4151.6171.5-59.2-171.334.500110.9R217 T218 A244 V251R217-Q246 PolarHBondContact O-NE2 3.23Å; T218-Q246 WeakPolarHBondContact O-CB 3.46Å; T218-Q246 PolarHBondContact O-N 3.25Å; A244-Q246 PolarHBondContact O-N 3.36Å; Q246-V251 HydrophobicContact CB-CG2 3.89Å
247D94.4Very high95.4Very high94 Ų9476.2 Ų76.250%0.50341%0.408SS..PPolyproline II helixtrans-74.9129.8171.4-176.4-8.2000110.2S249 K250 V251D247-S249 PolarHBondContact O-N 3.16Å; D247-S249 VanDerWaalsContact O-N 3.17Å; D247-S249 WeakPolarHBondContact OD1-CB 3.48Å; D247-S249 PolarHBondContact OD1-N 2.75Å; D247-S249 PolarHBondContact OD1-OG 3.34Å; D247-S249 PolarHBondContact OD2-OG 2.55Å; D247-K250 WeakPolarHBondContact O-CB 3.36Å; D247-K250 PolarHBondContact O-N 3.1Å; D247-V251 PolarHBondContact O-N 3.04Å
248F93.1Very high95.4Very high13 Ų1374.9 Ų74.96%0.05741%0.406CS..Hα-helixtrans-61-21.5176.6-79.5-61.1000113.5L219 K250 V251 V252 R260 L263 L267L219-F248 HydrophobicContact CD2-CE1 3.95Å; L219-F248 HydrophobicContact CD2-CE2 4.34Å; L219-F248 HydrophobicContact CD2-CZ 3.46Å; L219-F248 VanDerWaalsContact CD2-CZ 3.46Å; F248-K250 PolarHBondContact O-N 3.25Å; F248-V251 HydrophobicContact CD1-CB 4.12Å; F248-V251 HydrophobicContact CD1-CG1 4.33Å; F248-V251 PolarHBondContact O-N 3.12Å; F248-V252 CarbonylContact O-C 3.56Å; F248-V252 PolarHBondContact O-N 2.91Å; F248-R260 HydrophobicContact CB-CB 4.25Å; F248-R260 HydrophobicContact CB-CG 4.08Å; F248-L263 HydrophobicContact CD1-CD2 3.98Å; F248-L263 HydrophobicContact CE1-CD2 4.05Å; F248-L263 HydrophobicContact CE1-CG 4.3Å; F248-L267 HydrophobicContact CE1-CD1 4.14Å; F248-L267 HydrophobicContact CZ-CB 4.49Å; F248-L267 HydrophobicContact CZ-CD1 4.05Å
249S94.5Very high95.6Very high40 Ų4069.9 Ų69.928%0.2837%0.373SS..Hα-helixtrans-58.7-28170.4720000112.7D247 P253D247-S249 PolarHBondContact O-N 3.16Å; D247-S249 VanDerWaalsContact O-N 3.17Å; D247-S249 WeakPolarHBondContact OD1-CB 3.48Å; D247-S249 PolarHBondContact OD1-N 2.75Å; D247-S249 PolarHBondContact OD1-OG 3.34Å; D247-S249 PolarHBondContact OD2-OG 2.55Å; S249-P253 VanDerWaalsContact O-CA 3.31Å; S249-P253 WeakPolarHBondContact O-CA 3.23Å
250K94.3Very high95.8Very high163 Ų16368 Ų6871%0.70935%0.35SS*.Hα-helixtrans-92.9-32.6176.7-59.8-179-177.8177.10112.6D247 F248D247-K250 WeakPolarHBondContact O-CB 3.36Å; D247-K250 PolarHBondContact O-N 3.1Å; F248-K250 PolarHBondContact O-N 3.25Å
251V93.8Very high95.8Very high29 Ų2969.5 Ų69.518%0.17636%0.362CS..Hα-helixtrans-77-40.6-178.2-178.80000111.4L202 T218 Q246 D247 F248L202-V251 HydrophobicContact CD1-CG1 3.52Å; T218-V251 HydrophobicContact CG2-CB 4.43Å; T218-V251 HydrophobicContact CG2-CG1 3.77Å; T218-V251 HydrophobicContact CG2-CG2 3.76Å; Q246-V251 HydrophobicContact CB-CG2 3.89Å; D247-V251 PolarHBondContact O-N 3.04Å; F248-V251 HydrophobicContact CD1-CB 4.12Å; F248-V251 HydrophobicContact CD1-CG1 4.33Å; F248-V251 PolarHBondContact O-N 3.12Å
252V95Very high95.9Very high0 Ų066.9 Ų66.90%035%0.345CS..SBendtrans-13168.5179.3-167.40000110A194 V197 T198 F248 P254 L255 L263A194-V252 HydrophobicContact CB-CG2 4.1Å; V197-V252 HydrophobicContact CB-CG1 3.87Å; V197-V252 HydrophobicContact CG1-CG1 3.49Å; V197-V252 VanDerWaalsContact CG1-CG1 3.49Å; T198-V252 HydrophobicContact CG2-CB 4.29Å; T198-V252 HydrophobicContact CG2-CG1 3.82Å; T198-V252 HydrophobicContact CG2-CG2 4.24Å; F248-V252 CarbonylContact O-C 3.56Å; F248-V252 PolarHBondContact O-N 2.91Å; V252-P254 VanDerWaalsContact C-CD 3.4Å; V252-L255 HydrophobicContact CB-CB 4.36Å; V252-L255 HydrophobicContact CG1-CB 3.75Å; V252-L255 HydrophobicContact CG1-CD2 4.13Å; V252-L255 WeakPolarHBondContact O-CB 3.26Å; V252-L255 PolarHBondContact O-N 3.34Å; V252-L263 HydrophobicContact CB-CD2 4.46Å; V252-L263 HydrophobicContact CG2-CD2 3.73Å
253P93.9Very high95.9Very high84 Ų8460.5 Ų60.555%0.54532%0.317SS..THydrogen-bonded Turntrans-56.3-35.9-173.9-23.832.8000116.7S249 L255S249-P253 VanDerWaalsContact O-CA 3.31Å; S249-P253 WeakPolarHBondContact O-CA 3.23Å; P253-L255 PolarHBondContact O-N 3.27Å
254P93.8Very high95.9Very high90 Ų9058.9 Ų58.958%0.58432%0.317SS*.THydrogen-bonded Turntrans-70.7-11.1-178.8-19.532.1000114.8V197 V252V197-P254 HydrophobicContact CG1-CB 3.82Å; V197-P254 HydrophobicContact CG1-CG 4.12Å; V252-P254 VanDerWaalsContact C-CD 3.4Å
255L94.3Very high96Very high2 Ų258.1 Ų58.11%0.0130%0.299CS..SBendtrans-83.9139.7-175.9-164.457.5000110.4L101 F193 V197 V252 P253 G259 R260 L263 F285L101-L255 HydrophobicContact CD1-CD1 4.16Å; F193-L255 HydrophobicContact CE1-CD2 4.06Å; F193-L255 HydrophobicContact CE2-CD1 4.03Å; F193-L255 HydrophobicContact CZ-CD1 3.69Å; F193-L255 HydrophobicContact CZ-CD2 3.88Å; F193-L255 HydrophobicContact CZ-CG 4.41Å; V197-L255 HydrophobicContact CG1-CB 4.37Å; V197-L255 HydrophobicContact CG2-CD1 4.19Å; V252-L255 HydrophobicContact CB-CB 4.36Å; V252-L255 HydrophobicContact CG1-CB 3.75Å; V252-L255 HydrophobicContact CG1-CD2 4.13Å; V252-L255 WeakPolarHBondContact O-CB 3.26Å; V252-L255 PolarHBondContact O-N 3.34Å; P253-L255 PolarHBondContact O-N 3.27Å; L255-G259 WeakPolarHBondContact CD2-O 3.34Å; L255-R260 HydrophobicContact CB-CG 4.12Å; L255-R260 HydrophobicContact CD2-CG 4.19Å; L255-R260 HydrophobicContact CG-CG 4.21Å; L255-R260 PolarHBondContact O-NH1 3.23Å; L255-L263 HydrophobicContact CD2-CB 4.32Å; L255-L263 HydrophobicContact CD2-CD2 4.19Å; L255-F285 HydrophobicContact CD1-CE2 4.12Å; L255-F285 HydrophobicContact CD1-CZ 4.27Å
256D93.8Very high96.1Very high58 Ų5852.4 Ų52.431%0.3128%0.277SS..  trans-74.9-179.417658.511000112.5G259 R260D256-G259 PolarHBondContact O-N 3.21Å; D256-G259 WeakPolarHBondContact OD1-CA 3.28Å; D256-G259 PolarHBondContact OD1-N 3.17Å; D256-R260 WeakPolarHBondContact O-CB 3.19Å; D256-R260 VanDerWaalsContact O-CG 3.28Å; D256-R260 WeakPolarHBondContact O-CG 3.21Å; D256-R260 PolarHBondContact O-N 3.21Å; D256-R260 PolarHBondContact O-NE 2.68Å
257E96.4Very high96.2Very high150 Ų15048.1 Ų48.170%0.70126%0.257SS*.Hα-helixtrans-63.3-46.3-177.8-171.6173.8176.400112.5G259 R260 S261E257-G259 VanDerWaalsContact C-N 3.34Å; E257-G259 PolarHBondContact O-N 3.41Å; E257-R260 PolarHBondContact O-N 3.11Å; E257-S261 WeakPolarHBondContact O-CB 3.36Å; E257-S261 PolarHBondContact O-N 3.28Å
258D97.9Very high96.4Very high71 Ų7146.5 Ų46.538%0.3825%0.246SC..Hα-helixtrans-63.4-40.2177.7-74.5-36.4000112.1S261 L262 H283 F285D258-S261 WeakPolarHBondContact O-CB 3.44Å; D258-S261 PolarHBondContact O-N 3.47Å; D258-L262 WeakPolarHBondContact O-CB 3.37Å; D258-L262 PolarHBondContact O-N 3.47Å; D258-H283 PolarHBondContact O-CE1 2.95Å; D258-F285 HydrophobicContact CB-CB 3.98Å; D258-F285 HydrophobicContact CB-CD2 4.18Å
259G97.9Very high96.6Very high0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-65.6-42.8176.500000111.8L255 D256 E257 S261 L262 L263 F285L255-G259 WeakPolarHBondContact CD2-O 3.34Å; D256-G259 PolarHBondContact O-N 3.21Å; D256-G259 WeakPolarHBondContact OD1-CA 3.28Å; D256-G259 PolarHBondContact OD1-N 3.17Å; E257-G259 VanDerWaalsContact C-N 3.34Å; E257-G259 PolarHBondContact O-N 3.41Å; G259-S261 VanDerWaalsContact C-N 3.34Å; G259-L262 PolarHBondContact O-N 2.89Å; G259-L263 WeakPolarHBondContact O-CB 3.17Å; G259-L263 PolarHBondContact O-N 2.79Å; G259-F285 VanDerWaalsContact N-CD2 3.33Å
260R98.1Very high96.7Very high66 Ų6644.7 Ų44.725%0.24923%0.234CC..Hα-helixtrans-64.1-39.6175-71.8-179.1-60.1-111.13.3111.6F248 L255 D256 E257 L263 S264F248-R260 HydrophobicContact CB-CB 4.25Å; F248-R260 HydrophobicContact CB-CG 4.08Å; L255-R260 HydrophobicContact CB-CG 4.12Å; L255-R260 HydrophobicContact CD2-CG 4.19Å; L255-R260 HydrophobicContact CG-CG 4.21Å; L255-R260 PolarHBondContact O-NH1 3.23Å; D256-R260 WeakPolarHBondContact O-CB 3.19Å; D256-R260 VanDerWaalsContact O-CG 3.28Å; D256-R260 WeakPolarHBondContact O-CG 3.21Å; D256-R260 PolarHBondContact O-N 3.21Å; D256-R260 PolarHBondContact O-NE 2.68Å; E257-R260 PolarHBondContact O-N 3.11Å; R260-L263 PolarHBondContact O-N 2.83Å; R260-S264 WeakPolarHBondContact O-CB 3.43Å; R260-S264 PolarHBondContact O-N 2.82Å
261S98.3Very high96.7Very high46 Ų4638 Ų3832%0.32221%0.207SC..Hα-helixtrans-59.6-51174.1178.30000111E257 D258 G259 L263 S264 Q265 H283E257-S261 WeakPolarHBondContact O-CB 3.36Å; E257-S261 PolarHBondContact O-N 3.28Å; D258-S261 WeakPolarHBondContact O-CB 3.44Å; D258-S261 PolarHBondContact O-N 3.47Å; G259-S261 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 2.89Å; S261-S264 PolarHBondContact O-N 3.07Å; S261-S264 PolarHBondContact O-OG 2.71Å; S261-Q265 WeakPolarHBondContact O-CG 3.42Å; S261-Q265 PolarHBondContact O-N 3.27Å; S261-Q265 VanDerWaalsContact O-N 3.14Å; S261-Q265 PolarHBondContact O-NE2 3.2Å; S261-Q265 PolarHBondContact OG-NE2 3.01Å; S261-H283 PolarHBondContact OG-NE2 2.63Å
262L98.8Very high96.8Very high0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-59.6-49.1177.8178.458.4000111.5L108 F193 D258 G259 S264 Q265 M266 I275 A280 H283 F285 F286L108-L262 HydrophobicContact CD2-CD2 3.88Å; F193-L262 HydrophobicContact CE1-CD2 4.43Å; D258-L262 WeakPolarHBondContact O-CB 3.37Å; D258-L262 PolarHBondContact O-N 3.47Å; G259-L262 PolarHBondContact O-N 2.89Å; L262-S264 VanDerWaalsContact C-N 3.26Å; L262-S264 PolarHBondContact O-N 2.93Å; L262-Q265 PolarHBondContact O-N 3.5Å; L262-Q265 VanDerWaalsContact O-N 3.12Å; L262-M266 HydrophobicContact CD1-CG 4.25Å; L262-M266 HydrophobicContact CD1-SD 4.29Å; L262-M266 HydrophobicContact CG-CG 4.46Å; L262-M266 HydrophobicContact CG-SD 4.05Å; L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 2.87Å; L262-I275 HydrophobicContact CD1-CD1 4.21Å; L262-A280 HydrophobicContact CD1-CB 3.99Å; L262-H283 HydrophobicContact CD1-CB 4.02Å; L262-F285 HydrophobicContact CB-CB 4.48Å; L262-F285 HydrophobicContact CD2-CB 4.14Å; L262-F285 HydrophobicContact CD2-CD1 3.65Å; L262-F285 HydrophobicContact CD2-CE1 4.46Å; L262-F285 HydrophobicContact CD2-CG 4.18Å; L262-F286 HydrophobicContact CD2-CD2 4.46Å; L262-F286 HydrophobicContact CD2-CE2 3.5Å; L262-F286 VanDerWaalsContact CD2-CE2 3.5Å; L262-F286 HydrophobicContact CD2-CZ 3.61Å
263L98.7Very high96.9Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-57.9-40.9178.8-179.262.9000111.4G190 F193 A194 F248 V252 L255 G259 R260 S261 Q265 M266 L267G190-L263 WeakPolarHBondContact O-CD1 3.48Å; F193-L263 HydrophobicContact CD1-CB 4.09Å; F193-L263 HydrophobicContact CD1-CD1 3.87Å; F193-L263 HydrophobicContact CE1-CB 4.01Å; A194-L263 HydrophobicContact CB-CD1 4.25Å; A194-L263 HydrophobicContact CB-CD2 4.13Å; F248-L263 HydrophobicContact CD1-CD2 3.98Å; F248-L263 HydrophobicContact CE1-CD2 4.05Å; F248-L263 HydrophobicContact CE1-CG 4.3Å; V252-L263 HydrophobicContact CB-CD2 4.46Å; V252-L263 HydrophobicContact CG2-CD2 3.73Å; L255-L263 HydrophobicContact CD2-CB 4.32Å; L255-L263 HydrophobicContact CD2-CD2 4.19Å; G259-L263 WeakPolarHBondContact O-CB 3.17Å; G259-L263 PolarHBondContact O-N 2.79Å; R260-L263 PolarHBondContact O-N 2.83Å; S261-L263 PolarHBondContact O-N 2.89Å; L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 PolarHBondContact O-N 3.36Å; L263-M266 PolarHBondContact O-N 2.6Å; L263-L267 HydrophobicContact CD1-CD1 3.71Å; L263-L267 HydrophobicContact CD1-CG 4.07Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 3.01Å
264S98.3Very high97.1Very high36 Ų3646.3 Ų46.325%0.25224%0.239SC..Hα-helixtrans-64.2-36178.880.40000113R260 S261 L262 L267 H268R260-S264 WeakPolarHBondContact O-CB 3.43Å; R260-S264 PolarHBondContact O-N 2.82Å; S261-S264 PolarHBondContact O-N 3.07Å; S261-S264 PolarHBondContact O-OG 2.71Å; L262-S264 VanDerWaalsContact C-N 3.26Å; L262-S264 PolarHBondContact O-N 2.93Å; S264-L267 CarbonylContact O-C 3.56Å; S264-H268 PolarHBondContact O-N 2.96Å
265Q98.6Very high97.3Very high69 Ų6942.9 Ų42.932%0.32222%0.215SC..Hα-helixtrans-74.5-32.2176.6-67.6175.764.500112.1S261 L262 L263 I275 H283S261-Q265 WeakPolarHBondContact O-CG 3.42Å; S261-Q265 PolarHBondContact O-N 3.27Å; S261-Q265 VanDerWaalsContact O-N 3.14Å; S261-Q265 PolarHBondContact O-NE2 3.2Å; S261-Q265 PolarHBondContact OG-NE2 3.01Å; L262-Q265 PolarHBondContact O-N 3.5Å; L262-Q265 VanDerWaalsContact O-N 3.12Å; L263-Q265 VanDerWaalsContact C-N 3.31Å; L263-Q265 PolarHBondContact O-N 3.36Å; Q265-I275 HydrophobicContact CB-CB 3.99Å; Q265-I275 HydrophobicContact CB-CD1 4.4Å; Q265-I275 HydrophobicContact CB-CG2 3.97Å; Q265-I275 PolarHBondContact O-N 3.09Å; Q265-I275 VanDerWaalsContact O-N 3.17Å; Q265-H283 PolarHBondContact NE2-NE2 2.87Å; Q265-H283 VanDerWaalsContact NE2-NE2 3.15Å
266M98.8Very high97.5Very high0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-71.2-33.4173.4-65.7177.979.700112.5L108 L112 I186 L189 F193 L262 L263 R274 I275L108-M266 HydrophobicContact CD1-CE 4.27Å; L112-M266 HydrophobicContact CD2-CE 4.47Å; I186-M266 HydrophobicContact CG2-CB 3.98Å; I186-M266 HydrophobicContact CG2-CE 4.23Å; I186-M266 HydrophobicContact CG2-CG 3.98Å; L189-M266 HydrophobicContact CB-CE 3.88Å; L189-M266 HydrophobicContact CD2-CE 4.08Å; L189-M266 HydrophobicContact CG-CE 3.8Å; F193-M266 HydrophobicContact CD1-SD 4.31Å; L262-M266 HydrophobicContact CD1-CG 4.25Å; L262-M266 HydrophobicContact CD1-SD 4.29Å; L262-M266 HydrophobicContact CG-CG 4.46Å; L262-M266 HydrophobicContact CG-SD 4.05Å; L262-M266 WeakPolarHBondContact O-CG 3.49Å; L262-M266 PolarHBondContact O-N 2.87Å; L263-M266 PolarHBondContact O-N 2.6Å; M266-R274 WeakPolarHBondContact O-CD 3.47Å; M266-R274 VanDerWaalsContact O-CG 3.24Å; M266-R274 WeakPolarHBondContact O-CG 3.11Å; M266-I275 HydrophobicContact CB-CG2 4.42Å; M266-I275 HydrophobicContact CG-CG2 3.76Å
267L98.6Very high97.7Very high0 Ų042.7 Ų42.70%022%0.219CC..THydrogen-bonded Turntrans-9926.2179.6-61.8179.8000113W187 L202 F203 L219 F248 L263 S264W187-L267 HydrophobicContact CD2-CD2 3.89Å; W187-L267 HydrophobicContact CE3-CB 4.46Å; W187-L267 HydrophobicContact CE3-CD2 3.95Å; W187-L267 HydrophobicContact CG-CD2 4.41Å; W187-L267 HydrophobicContact CH2-CD2 4.43Å; W187-L267 HydrophobicContact CZ2-CD2 4.34Å; W187-L267 HydrophobicContact CZ3-CB 4.19Å; W187-L267 HydrophobicContact CZ3-CD2 4.24Å; W187-L267 WeakPolarHBondContact CZ3-O 3.48Å; L202-L267 HydrophobicContact CD2-CD1 3.51Å; F203-L267 HydrophobicContact CE2-CD1 4.49Å; F203-L267 HydrophobicContact CZ-CD1 4.45Å; L219-L267 HydrophobicContact CD1-CB 4.23Å; F248-L267 HydrophobicContact CE1-CD1 4.14Å; F248-L267 HydrophobicContact CZ-CB 4.49Å; F248-L267 HydrophobicContact CZ-CD1 4.05Å; L263-L267 HydrophobicContact CD1-CD1 3.71Å; L263-L267 HydrophobicContact CD1-CG 4.07Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.4Å; L263-L267 PolarHBondContact O-N 3.01Å; S264-L267 CarbonylContact O-C 3.56Å
268H98.1Very high97.8Very high59 Ų5943.7 Ų43.727%0.27322%0.221SC..  trans-67.4133.7173-162.4-70000110.1S264 D270 R274S264-H268 PolarHBondContact O-N 2.96Å; H268-D270 PolarHBondContact ND1-N 3.43Å; H268-D270 PolarHBondContact ND1-O 3.43Å; H268-R274 HydrophobicContact CB-CB 4.22Å; H268-R274 HydrophobicContact CB-CG 4.38Å; H268-R274 PolarHBondContact O-NE 2.92Å; H268-R274 PolarHBondContact O-NH2 2.85Å; H268-R274 VanDerWaalsContact O-NH2 3.14Å
269Y97.6Very high97.8Very high3 Ų342.6 Ų42.61%0.01222%0.222CC..SBendtrans-60.9-59.9-179.2-85.2-61.4000111.8P171 I215 F216 L219 G220 P222 V226 W227 P271 R274P171-Y269 HydrophobicContact CB-CD1 4.22Å; P171-Y269 HydrophobicContact CB-CE1 4.23Å; P171-Y269 HydrophobicContact CG-CD1 3.8Å; P171-Y269 HydrophobicContact CG-CE1 4.15Å; I215-Y269 HydrophobicContact CG2-CE1 3.79Å; F216-Y269 HydrophobicContact CD1-CE1 4.39Å; F216-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F216-Y269 HydrophobicContact CE1-CE1 4.35Å; L219-Y269 HydrophobicContact CB-CE2 3.75Å; L219-Y269 WeakPolarHBondContact CB-OH 3.34Å; G220-Y269 WeakPolarHBondContact O-CE2 3.43Å; G220-Y269 PolarHBondContact O-OH 3.21Å; P222-Y269 HydrophobicContact CB-CD1 4.41Å; P222-Y269 HydrophobicContact CB-CD2 4.21Å; P222-Y269 HydrophobicContact CB-CE1 4.5Å; P222-Y269 HydrophobicContact CB-CE2 4.25Å; P222-Y269 HydrophobicContact CB-CG 4.28Å; P222-Y269 HydrophobicContact CG-CD1 4.49Å; P222-Y269 HydrophobicContact CG-CE1 4.25Å; V226-Y269 HydrophobicContact CG1-CD2 3.8Å; W227-Y269 AromaticContact CE3-CD1 3.98Å; W227-Y269 HydrophobicContact CE3-CD1 3.98Å; W227-Y269 HydrophobicContact CE3-CG 4.17Å; W227-Y269 HydrophobicContact CZ3-CD1 4.03Å; Y269-P271 WeakPolarHBondContact O-CD 3.24Å; Y269-P271 VanDerWaalsContact O-N 3.12Å; Y269-R274 PolarHBondContact O-NH2 3.27Å
270D96.2Very high97.9Very high13 Ų1342.6 Ų42.67%0.0722%0.222CC..SBendtrans-60112.2178.3-177.5-8.3000110.4W227 H268 N272 K273 R274W227-D270 HydrophobicContact CG-CB 4.36Å; H268-D270 PolarHBondContact ND1-N 3.43Å; H268-D270 PolarHBondContact ND1-O 3.43Å; D270-N272 PolarHBondContact O-N 3.05Å; D270-N272 VanDerWaalsContact O-N 3.15Å; D270-N272 WeakPolarHBondContact OD1-CB 3.49Å; D270-N272 PolarHBondContact OD1-N 2.89Å; D270-N272 PolarHBondContact OD1-ND2 3.39Å; D270-K273 HydrophobicContact CB-CB 4.22Å; D270-K273 HydrophobicContact CB-CD 4.23Å; D270-K273 HydrophobicContact CB-CG 4.3Å; D270-K273 PolarHBondContact O-N 3.28Å; D270-K273 WeakPolarHBondContact OD2-CD 3.37Å; D270-K273 WeakPolarHBondContact OD2-CE 3.24Å; D270-R274 PolarHBondContact O-N 3.43Å; D270-R274 VanDerWaalsContact O-N 3.07Å
271P94.8Very high97.9Very high23 Ų2341.5 Ų41.515%0.14922%0.221CC..THydrogen-bonded Turntrans-61.2-23.7-178.1-23.635.5000113.3E172 A183 W227 Y269E172-P271 HydrophobicContact CB-CG 4.13Å; E172-P271 HydrophobicContact CG-CG 3.97Å; A183-P271 HydrophobicContact CB-CB 3.81Å; A183-P271 WeakPolarHBondContact CB-O 3.1Å; W227-P271 HydrophobicContact CZ2-CG 4.17Å; Y269-P271 WeakPolarHBondContact O-CD 3.24Å; Y269-P271 VanDerWaalsContact O-N 3.12Å
272N94.4Very high97.9Very high149 Ų14943.5 Ų43.580%0.79724%0.24SC*.THydrogen-bonded Turntrans-78.9-21.7179.1-59-54.3000112.8D270D270-N272 PolarHBondContact O-N 3.05Å; D270-N272 VanDerWaalsContact O-N 3.15Å; D270-N272 WeakPolarHBondContact OD1-CB 3.49Å; D270-N272 PolarHBondContact OD1-N 2.89Å; D270-N272 PolarHBondContact OD1-ND2 3.39Å
273K96.9Very high97.9Very high123 Ų12344.3 Ų44.354%0.53524%0.244SC..THydrogen-bonded Turntrans-99.8-12176.5-65.2178.8-175.3175.20112.8D270D270-K273 HydrophobicContact CB-CB 4.22Å; D270-K273 HydrophobicContact CB-CD 4.23Å; D270-K273 HydrophobicContact CB-CG 4.3Å; D270-K273 PolarHBondContact O-N 3.28Å; D270-K273 WeakPolarHBondContact OD2-CD 3.37Å; D270-K273 WeakPolarHBondContact OD2-CE 3.24Å
274R98.1Very high97.9Very high15 Ų1547.4 Ų47.46%0.05726%0.264CS..SBendtrans-63.6133176.1-163.1179.1-621515109.9E172 A183 I186 M266 H268 Y269 D270 S276E172-R274 IonicContact OE1-CZ 2.91Å; E172-R274 IonicContact OE1-NH1 3.55Å; E172-R274 PolarHBondContact OE1-NH1 3.09Å; E172-R274 IonicContact OE1-NH2 2.64Å; E172-R274 PolarHBondContact OE1-NH2 3.47Å; E172-R274 IonicContact OE2-CZ 3.93Å; E172-R274 IonicContact OE2-NH1 2.76Å; E172-R274 IonicContact OE2-NH2 3.81Å; E172-R274 PolarHBondContact OE2-NH2 2.95Å; A183-R274 VanDerWaalsContact C-NH1 3.25Å; A183-R274 HydrophobicContact CB-CB 4.38Å; A183-R274 WeakPolarHBondContact O-CD 3.49Å; A183-R274 PolarHBondContact O-NH1 3.26Å; I186-R274 HydrophobicContact CG2-CG 4.17Å; M266-R274 WeakPolarHBondContact O-CD 3.47Å; M266-R274 VanDerWaalsContact O-CG 3.24Å; M266-R274 WeakPolarHBondContact O-CG 3.11Å; H268-R274 HydrophobicContact CB-CB 4.22Å; H268-R274 HydrophobicContact CB-CG 4.38Å; H268-R274 PolarHBondContact O-NE 2.92Å; H268-R274 PolarHBondContact O-NH2 2.85Å; H268-R274 VanDerWaalsContact O-NH2 3.14Å; Y269-R274 PolarHBondContact O-NH2 3.27Å; D270-R274 PolarHBondContact O-N 3.43Å; D270-R274 VanDerWaalsContact O-N 3.07Å; R274-S276 PolarHBondContact O-N 3.04Å
275I98.8Very high97.9Very high17 Ų1745.7 Ų45.79%0.08725%0.252CS..PPolyproline II helixtrans-58.1139.2-176.5-166.2171.1000111.1I186 L262 Q265 M266 A279 A280I186-I275 WeakPolarHBondContact CG1-O 3.38Å; I186-I275 HydrophobicContact CG2-CG2 4.15Å; I186-I275 WeakPolarHBondContact CG2-O 3.47Å; L262-I275 HydrophobicContact CD1-CD1 4.21Å; Q265-I275 HydrophobicContact CB-CB 3.99Å; Q265-I275 HydrophobicContact CB-CD1 4.4Å; Q265-I275 HydrophobicContact CB-CG2 3.97Å; Q265-I275 PolarHBondContact O-N 3.09Å; Q265-I275 VanDerWaalsContact O-N 3.17Å; M266-I275 HydrophobicContact CB-CG2 4.42Å; M266-I275 HydrophobicContact CG-CG2 3.76Å; I275-A279 HydrophobicContact CD1-CB 4.23Å; I275-A279 HydrophobicContact CG1-CB 3.67Å; I275-A280 VanDerWaalsContact CD1-CA 3.49Å; I275-A280 HydrophobicContact CD1-CB 3.87Å; I275-A280 HydrophobicContact CG1-CB 4.17Å; I275-A280 HydrophobicContact CG2-CB 4.35Å
276S98.7Very high97.9Very high55 Ų5542.9 Ų42.939%0.38524%0.238SC..PPolyproline II helixtrans-78.9158.4173.369.40000111.3R274 K278 A279 A280R274-S276 PolarHBondContact O-N 3.04Å; S276-K278 PolarHBondContact O-N 3.32Å; S276-A279 PolarHBondContact O-N 2.82Å; S276-A279 VanDerWaalsContact O-N 3.13Å; S276-A279 WeakPolarHBondContact OG-CB 3.31Å; S276-A279 PolarHBondContact OG-N 3.48Å; S276-A279 VanDerWaalsContact OG-N 3.14Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.1Å
277A98.4Very high97.7Very high1 Ų151.4 Ų51.41%0.00828%0.278CS..Hα-helixtrans-55.1-41.7174.800000112.1L112 L115 A116 I186 A280 L281L112-A277 HydrophobicContact CD2-CB 4.24Å; L115-A277 HydrophobicContact CB-CB 3.98Å; A116-A277 HydrophobicContact CB-CB 3.93Å; I186-A277 HydrophobicContact CD1-CB 3.79Å; A277-A280 PolarHBondContact O-N 3.05Å; A277-L281 WeakPolarHBondContact O-CG 3.33Å; A277-L281 PolarHBondContact O-N 3.2Å; A277-L281 VanDerWaalsContact O-N 3.15Å
278K98.3Very high97.5Very high172 Ų17256.3 Ų56.375%0.74830%0.304SS*.Hα-helixtrans-63.3-43.1177.9-175.8177.3179.4-179.70112.4S276S276-K278 PolarHBondContact O-N 3.32Å
279A98.6Very high97.4Very high48 Ų4855.6 Ų55.640%0.39730%0.304SS..Hα-helixtrans-70-38.617800000111.7I275 S276 L281 A282I275-A279 HydrophobicContact CD1-CB 4.23Å; I275-A279 HydrophobicContact CG1-CB 3.67Å; S276-A279 PolarHBondContact O-N 2.82Å; S276-A279 VanDerWaalsContact O-N 3.13Å; S276-A279 WeakPolarHBondContact OG-CB 3.31Å; S276-A279 PolarHBondContact OG-N 3.48Å; S276-A279 VanDerWaalsContact OG-N 3.14Å; A279-L281 VanDerWaalsContact C-N 3.3Å; A279-L281 PolarHBondContact O-N 3.19Å; A279-A282 PolarHBondContact O-N 3.1Å; A279-A282 VanDerWaalsContact O-N 3.08Å
280A98.8Very high97.3Very high0 Ų059.2 Ų59.20%033%0.327CS..Hα-helixtrans-61.3-36.3177.500000112.7L112 L262 I275 S276 A277 A282 H283 F286L112-A280 HydrophobicContact CD1-CB 3.81Å; L112-A280 HydrophobicContact CD2-CB 3.84Å; L112-A280 HydrophobicContact CG-CB 4.46Å; L262-A280 HydrophobicContact CD1-CB 3.99Å; I275-A280 VanDerWaalsContact CD1-CA 3.49Å; I275-A280 HydrophobicContact CD1-CB 3.87Å; I275-A280 HydrophobicContact CG1-CB 4.17Å; I275-A280 HydrophobicContact CG2-CB 4.35Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.1Å; A277-A280 PolarHBondContact O-N 3.05Å; A280-A282 PolarHBondContact O-N 3.48Å; A280-H283 WeakPolarHBondContact O-CB 3.3Å; A280-H283 PolarHBondContact O-N 3.13Å; A280-F286 VanDerWaalsContact O-CD2 3.25Å; A280-F286 WeakPolarHBondContact O-CD2 3.35Å; A280-F286 WeakPolarHBondContact O-CE2 3.21Å
281L98.6Very high97.1Very high43 Ų4365 Ų6523%0.22535%0.351CS..THydrogen-bonded Turntrans-61-22.9175.4-73.2167.4000113.9F109 L112 Q113 A116 A277 A279F109-L281 HydrophobicContact CD2-CD2 3.66Å; F109-L281 HydrophobicContact CE2-CD2 3.6Å; F109-L281 HydrophobicContact CG-CD2 4.19Å; F109-L281 HydrophobicContact CZ-CD2 4.08Å; L112-L281 HydrophobicContact CB-CD2 3.62Å; L112-L281 HydrophobicContact CB-CG 3.91Å; Q113-L281 HydrophobicContact CG-CD1 4.22Å; Q113-L281 HydrophobicContact CG-CD2 3.67Å; A116-L281 HydrophobicContact CB-CD1 4.01Å; A277-L281 WeakPolarHBondContact O-CG 3.33Å; A277-L281 PolarHBondContact O-N 3.2Å; A277-L281 VanDerWaalsContact O-N 3.15Å; A279-L281 VanDerWaalsContact C-N 3.3Å; A279-L281 PolarHBondContact O-N 3.19Å
282A98.3Very high96.9Very high87 Ų8766.1 Ų66.172%0.71936%0.358SS*.THydrogen-bonded Turntrans-93.95.1177.500000113.2A279 A280A279-A282 PolarHBondContact O-N 3.1Å; A279-A282 VanDerWaalsContact O-N 3.08Å; A280-A282 PolarHBondContact O-N 3.48Å
283H98.7Very high96.7Very high18 Ų1863.7 Ų63.78%0.08335%0.349CS..SBendtrans-70.6142.7-176.9-166.1-87000111.8D258 S261 L262 Q265 A280 F285 F286D258-H283 PolarHBondContact O-CE1 2.95Å; S261-H283 PolarHBondContact OG-NE2 2.63Å; L262-H283 HydrophobicContact CD1-CB 4.02Å; Q265-H283 PolarHBondContact NE2-NE2 2.87Å; Q265-H283 VanDerWaalsContact NE2-NE2 3.15Å; A280-H283 WeakPolarHBondContact O-CB 3.3Å; A280-H283 PolarHBondContact O-N 3.13Å; H283-F285 WeakPolarHBondContact ND1-CB 3.48Å; H283-F285 PolarHBondContact ND1-N 3.21Å; H283-F285 PolarHBondContact O-N 2.75Å; H283-F286 HydrophobicContact CB-CD2 4.29Å; H283-F286 PolarHBondContact O-N 2.78Å
284P98.3Very high96.2Very high64 Ų6458.5 Ų58.542%0.41633%0.328SS..G310 helixtrans-51-31.4178.5-31.136.2000115.1F286 Q287P284-F286 PolarHBondContact O-N 2.88Å; P284-Q287 VanDerWaalsContact O-CB 3.25Å; P284-Q287 WeakPolarHBondContact O-CB 3.45Å; P284-Q287 PolarHBondContact O-N 2.97Å
285F98.3Very high95.6Very high1 Ų165.8 Ų65.80%0.00436%0.362CS..G310 helixtrans-50.4-26.2173.9-175.8-112.8000114.2L101 K105 L108 F193 L255 D258 G259 L262 H283L101-F285 HydrophobicContact CD1-CZ 4.23Å; K105-F285 HydrophobicContact CB-CE1 4.21Å; K105-F285 HydrophobicContact CB-CZ 4.29Å; K105-F285 WeakPolarHBondContact CD-O 3.2Å; K105-F285 WeakPolarHBondContact CE-O 3.31Å; K105-F285 HydrophobicContact CG-CD1 4.31Å; K105-F285 HydrophobicContact CG-CE1 3.88Å; K105-F285 HydrophobicContact CG-CZ 4.21Å; K105-F285 PolarHBondContact NZ-O 3.16Å; K105-F285 VanDerWaalsContact NZ-O 3.09Å; L108-F285 HydrophobicContact CD2-CD1 4.48Å; L108-F285 HydrophobicContact CD2-CE1 4.09Å; F193-F285 HydrophobicContact CE2-CE1 4.13Å; F193-F285 HydrophobicContact CE2-CZ 4.05Å; F193-F285 HydrophobicContact CZ-CD1 4.45Å; F193-F285 AromaticContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE2 4.42Å; F193-F285 AromaticContact CZ-CZ 3.7Å; F193-F285 HydrophobicContact CZ-CZ 3.7Å; L255-F285 HydrophobicContact CD1-CE2 4.12Å; L255-F285 HydrophobicContact CD1-CZ 4.27Å; D258-F285 HydrophobicContact CB-CB 3.98Å; D258-F285 HydrophobicContact CB-CD2 4.18Å; G259-F285 VanDerWaalsContact N-CD2 3.33Å; L262-F285 HydrophobicContact CB-CB 4.48Å; L262-F285 HydrophobicContact CD2-CB 4.14Å; L262-F285 HydrophobicContact CD2-CD1 3.65Å; L262-F285 HydrophobicContact CD2-CE1 4.46Å; L262-F285 HydrophobicContact CD2-CG 4.18Å; H283-F285 WeakPolarHBondContact ND1-CB 3.48Å; H283-F285 PolarHBondContact ND1-N 3.21Å; H283-F285 PolarHBondContact O-N 2.75Å
286F98.3Very high94.9Very high10 Ų1065.7 Ų65.74%0.04436%0.362CS..G310 helixtrans-101.55.9180-59.3-63.8000114.6K105 L108 F109 L112 L262 A280 H283 P284 D288 V289K105-F286 HydrophobicContact CG-CD1 3.79Å; K105-F286 HydrophobicContact CG-CE1 4.13Å; L108-F286 HydrophobicContact CB-CE1 4.25Å; L108-F286 HydrophobicContact CB-CZ 4.32Å; L108-F286 HydrophobicContact CD2-CE1 4.15Å; L108-F286 HydrophobicContact CD2-CZ 3.68Å; L108-F286 HydrophobicContact CG-CE1 4.23Å; L108-F286 HydrophobicContact CG-CZ 3.81Å; F109-F286 HydrophobicContact CB-CD1 3.88Å; F109-F286 HydrophobicContact CB-CE1 3.82Å; F109-F286 HydrophobicContact CD2-CB 3.9Å; F109-F286 AromaticContact CD2-CD1 3.69Å; F109-F286 HydrophobicContact CD2-CD1 3.69Å; F109-F286 HydrophobicContact CD2-CD2 4.14Å; F109-F286 HydrophobicContact CD2-CE1 4.22Å; F109-F286 AromaticContact CD2-CG 3.65Å; F109-F286 HydrophobicContact CD2-CG 3.65Å; F109-F286 HydrophobicContact CE2-CB 4.17Å; F109-F286 HydrophobicContact CE2-CG 4.32Å; F109-F286 HydrophobicContact CG-CD1 4.24Å; L112-F286 HydrophobicContact CD1-CE2 3.61Å; L112-F286 HydrophobicContact CD1-CZ 3.56Å; L262-F286 HydrophobicContact CD2-CD2 4.46Å; L262-F286 HydrophobicContact CD2-CE2 3.5Å; L262-F286 VanDerWaalsContact CD2-CE2 3.5Å; L262-F286 HydrophobicContact CD2-CZ 3.61Å; A280-F286 VanDerWaalsContact O-CD2 3.25Å; A280-F286 WeakPolarHBondContact O-CD2 3.35Å; A280-F286 WeakPolarHBondContact O-CE2 3.21Å; H283-F286 HydrophobicContact CB-CD2 4.29Å; H283-F286 PolarHBondContact O-N 2.78Å; P284-F286 PolarHBondContact O-N 2.88Å; F286-D288 PolarHBondContact O-N 3.09Å; F286-V289 HydrophobicContact CB-CB 4.37Å; F286-V289 HydrophobicContact CB-CG1 4.41Å; F286-V289 HydrophobicContact CD1-CB 4.49Å; F286-V289 WeakPolarHBondContact O-CB 3.32Å; F286-V289 VanDerWaalsContact O-CG1 3.26Å; F286-V289 WeakPolarHBondContact O-CG1 3.44Å; F286-V289 PolarHBondContact O-N 3.39Å; F286-V289 VanDerWaalsContact O-N 3.14Å
287Q95.4Very high93.8Very high178 Ų17872.1 Ų72.183%0.83238%0.378SS*.THydrogen-bonded Turntrans-59.4-31.3-176.4-174174.60.700113.2P284P284-Q287 VanDerWaalsContact O-CB 3.25Å; P284-Q287 WeakPolarHBondContact O-CB 3.45Å; P284-Q287 PolarHBondContact O-N 2.97Å
288D94.9Very high92.7Very high103 Ų10379.7 Ų79.755%0.55142%0.417SS*.THydrogen-bonded Turntrans-110.419.5-179.166.6-34.2000112.6K105 F286 T290K105-D288 IonicContact NZ-OD1 2.63Å; K105-D288 PolarHBondContact NZ-OD1 2.96Å; K105-D288 IonicContact NZ-OD2 2.93Å; K105-D288 PolarHBondContact NZ-OD2 3.38Å; F286-D288 PolarHBondContact O-N 3.09Å; D288-T290 PolarHBondContact O-N 2.99Å
289V95.9Very high92.4Very high44 Ų4475.1 Ų75.127%0.26740%0.401SS..  trans-61.9127.5-175.568.40000111.6K105 F109 F286K105-V289 HydrophobicContact CD-CB 4.23Å; K105-V289 HydrophobicContact CD-CG2 4.44Å; K105-V289 HydrophobicContact CG-CB 4.22Å; K105-V289 HydrophobicContact CG-CG2 3.98Å; F109-V289 HydrophobicContact CB-CG2 4.04Å; F109-V289 HydrophobicContact CD2-CG1 4.29Å; F109-V289 HydrophobicContact CE2-CG1 4.35Å; F109-V289 HydrophobicContact CG-CG1 4.38Å; F109-V289 HydrophobicContact CG-CG2 4.21Å; F109-V289 HydrophobicContact CZ-CG1 4.49Å; F286-V289 HydrophobicContact CB-CB 4.37Å; F286-V289 HydrophobicContact CB-CG1 4.41Å; F286-V289 HydrophobicContact CD1-CB 4.49Å; F286-V289 WeakPolarHBondContact O-CB 3.32Å; F286-V289 VanDerWaalsContact O-CG1 3.26Å; F286-V289 WeakPolarHBondContact O-CG1 3.44Å; F286-V289 PolarHBondContact O-N 3.39Å; F286-V289 VanDerWaalsContact O-N 3.14Å
290T94.5Very high92.1Very high80 Ų8076.5 Ų76.549%0.49140%0.401SS..  trans-114.5167.3171.258.40000109.7S106 D288 P292S106-T290 VanDerWaalsContact CB-O 3.26Å; S106-T290 WeakPolarHBondContact CB-O 3.32Å; D288-T290 PolarHBondContact O-N 2.99Å; T290-P292 VanDerWaalsContact O-CD 3.25Å; T290-P292 WeakPolarHBondContact O-CD 3.33Å
291K91.9Very high91.7Very high135 Ų13580.8 Ų80.859%0.58742%0.423SS*.  trans-115.770.6176.5-65.3-174.5179.8-175.90110.8
292P91.7Very high91.3Very high45 Ų4583 Ų8329%0.29244%0.435SS..PPolyproline II helixtrans-65.9145.4177.528.4-33.5000110.8P102 L103 T290P102-P292 HydrophobicContact CB-CG 4.4Å; L103-P292 HydrophobicContact CB-CG 4.06Å; L103-P292 HydrophobicContact CD1-CG 4.09Å; T290-P292 VanDerWaalsContact O-CD 3.25Å; T290-P292 WeakPolarHBondContact O-CD 3.33Å
293V89.9Confident90.9Very high98 Ų9882.8 Ų82.859%0.59442%0.417SS*.PPolyproline II helixtrans-86.9125.2177-177.60000109.1T137T137-V293 VanDerWaalsContact O-CG1 3.32Å; T137-V293 WeakPolarHBondContact O-CG1 3.14Å
294P87.1Confident90.4Very high15 Ų1587.1 Ų87.110%0.09744%0.439CS..PPolyproline II helixtrans-76.6155.4178.335.1-38.6000111.3F90 L103 Y107 I135 L296F90-P294 HydrophobicContact CE2-CB 3.98Å; F90-P294 HydrophobicContact CZ-CB 3.91Å; L103-P294 HydrophobicContact CD2-CB 3.87Å; Y107-P294 WeakPolarHBondContact OH-CG 3.39Å; I135-P294 HydrophobicContact CG2-CG 4.44Å; P294-L296 HydrophobicContact CB-CD2 4.29Å; P294-L296 HydrophobicContact CG-CD2 4.04Å; P294-L296 HydrophobicContact CG-CG 4.41Å
295H84.6Confident89.8Confident167 Ų16788.7 Ų88.777%0.77344%0.441SS*.  trans-89.6106.6164.2-170.464.8000109.5
296L83.7Confident89.2Confident16 Ų1695.5 Ų95.58%0.08447%0.474CS..  trans-84.1134.9175.7-58.1-173.6000110.4H84 F90 I135 N136 T137 P294 L298H84-L296 HydrophobicContact CB-CD1 4.02Å; F90-L296 HydrophobicContact CD2-CD2 3.69Å; F90-L296 HydrophobicContact CE2-CD2 3.79Å; I135-L296 HydrophobicContact CG2-CD1 4.44Å; I135-L296 HydrophobicContact CG2-CD2 4.08Å; N136-L296 WeakPolarHBondContact O-CD1 3.18Å; T137-L296 HydrophobicContact CG2-CD1 4.19Å; P294-L296 HydrophobicContact CB-CD2 4.29Å; P294-L296 HydrophobicContact CG-CD2 4.04Å; P294-L296 HydrophobicContact CG-CG 4.41Å; L296-L298 HydrophobicContact CB-CD2 3.71Å; L296-L298 HydrophobicContact CB-CG 3.94Å; L296-L298 HydrophobicContact CD1-CD2 4.06Å; L296-L298 PolarHBondContact O-N 3.08Å
297R75.9Confident88.4Confident190 Ų190102.6 Ų102.672%0.71751%0.51SS*.  trans-9090169.7-66.8-175-178.6178.62108
298L75.4Confident87.8Confident160 Ų16095.7 Ų95.784%0.83848%0.481SS*.  trans-86.60-176-58.7-177.7000113H84 T137 L296H84-L298 HydrophobicContact CB-CD2 3.62Å; T137-L298 HydrophobicContact CG2-CD1 3.68Å; L296-L298 HydrophobicContact CB-CD2 3.71Å; L296-L298 HydrophobicContact CB-CG 3.94Å; L296-L298 HydrophobicContact CD1-CD2 4.06Å; L296-L298 PolarHBondContact O-N 3.08Å

Retrieved 298 of 298 residues in 159.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).