A0A077YY15_TRITR Loading...

mannose-1-phosphate guanylyltransferase

AlphaFold DB , UniProt , Accession A0A077YY15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M95.8Very high90.5Very high14 Ų1430 Ų307%0.06918%0.178CC..  0146.50177.3174-77.200110.4V46 D47 E102 P103 F105 I121M1-V46 HydrophobicContact CB-CG2 4.49Å; M1-V46 HydrophobicContact CG-CG2 4.16Å; M1-V46 VanDerWaalsContact O-CA 3.29Å; M1-V46 WeakPolarHBondContact O-CA 3.35Å; M1-V46 WeakPolarHBondContact O-CG1 3.32Å; M1-V46 HydrophobicContact SD-CG2 4.41Å; M1-D47 PolarHBondContact N-OD1 2.63Å; M1-D47 VanDerWaalsContact N-OD1 3.09Å; M1-D47 PolarHBondContact O-N 3.4Å; M1-E102 WeakPolarHBondContact CA-OE2 3.2Å; M1-E102 PolarHBondContact N-OE2 2.8Å; M1-P103 WeakPolarHBondContact CG-O 3.24Å; M1-F105 HydrophobicContact SD-CD2 4.25Å; M1-F105 HydrophobicContact SD-CE2 3.92Å; M1-I121 HydrophobicContact CE-CD1 4.29Å; M1-I121 HydrophobicContact CE-CG1 4.14Å; M1-I121 HydrophobicContact CE-CG2 4.25Å; M1-I121 HydrophobicContact SD-CD1 3.69Å; M1-I121 HydrophobicContact SD-CG1 3.88Å
2K98.3Very high90.6Very high15 Ų1533.6 Ų33.67%0.06520%0.201CC..EExtended strand (participates in β ladder)trans-111.5162.7-174.6-56.5-173.7-177.3154.50113.9H48 L96 I97 T99 F104 F105K2-H48 CarbonylContact C-O 3.54Å; K2-H48 VanDerWaalsContact CA-O 3.25Å; K2-H48 WeakPolarHBondContact CA-O 3.39Å; K2-H48 HydrophobicContact CG-CB 4.18Å; K2-L96 PolarHBondContact NZ-O 3.01Å; K2-I97 PolarHBondContact NZ-O 3.26Å; K2-T99 PolarHBondContact NZ-OG1 3.14Å; K2-F104 HydrophobicContact CB-CB 4.11Å; K2-F104 CarbonylContact O-C 3.59Å; K2-F104 VanDerWaalsContact O-CA 3.29Å; K2-F104 WeakPolarHBondContact O-CA 3.44Å; K2-F105 PolarHBondContact O-N 3.47Å
3A98.6Very high90.8Very high1 Ų139.8 Ų39.81%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-138.2147.8167.700000111.3L41 V46 H48 V49 I50 F105 L107A3-L41 HydrophobicContact CB-CD1 3.65Å; A3-L41 HydrophobicContact CB-CD2 4Å; A3-L41 HydrophobicContact CB-CG 4.4Å; A3-V46 HydrophobicContact CB-CG1 3.92Å; A3-H48 PolarHBondContact N-O 3.28Å; A3-V49 HydrophobicContact CB-CG2 4.38Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.33Å; A3-I50 PolarHBondContact O-N 2.81Å; A3-F105 CarbonylContact C-O 3.53Å; A3-F105 WeakPolarHBondContact CA-O 3.33Å; A3-F105 HydrophobicContact CB-CB 3.81Å; A3-L107 HydrophobicContact CB-CD1 4.13Å
4L98.2Very high91.1Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-118.1123.3168.8-176.7150.7000109L6 I50 A52 I90 A93 I97 F105 V106 L107L4-L6 HydrophobicContact CD2-CD2 3.51Å; L4-L6 HydrophobicContact CD2-CG 4.02Å; L4-I50 CarbonylContact C-O 3.58Å; L4-I50 VanDerWaalsContact CA-O 3.28Å; L4-I50 WeakPolarHBondContact CA-O 3.34Å; L4-I50 HydrophobicContact CB-CB 4.44Å; L4-I50 HydrophobicContact CD1-CG2 4.3Å; L4-I50 HydrophobicContact CG-CB 4.43Å; L4-I50 HydrophobicContact CG-CG2 4.46Å; L4-A52 HydrophobicContact CD2-CB 4.01Å; L4-A52 HydrophobicContact CG-CB 4.37Å; L4-I90 HydrophobicContact CD2-CG1 4.28Å; L4-A93 HydrophobicContact CD1-CB 3.48Å; L4-A93 VanDerWaalsContact CD1-CB 3.48Å; L4-I97 HydrophobicContact CD1-CD1 4Å; L4-F105 PolarHBondContact N-O 3.4Å; L4-V106 HydrophobicContact CB-CG2 4.44Å; L4-V106 HydrophobicContact CD2-CG1 4.23Å; L4-V106 CarbonylContact O-C 3.57Å; L4-V106 VanDerWaalsContact O-CA 3.24Å; L4-V106 WeakPolarHBondContact O-CA 3.49Å; L4-L107 PolarHBondContact O-N 2.85Å
5I97.3Very high91.4Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-104.7120.1177-56.4176.9000108V7 Q37 I38 L41 V49 I50 L51 A52 L107I5-V7 HydrophobicContact CB-CG2 4.32Å; I5-V7 HydrophobicContact CG2-CG2 3.83Å; I5-V7 PolarHBondContact O-N 3.13Å; I5-V7 VanDerWaalsContact O-N 3.12Å; I5-Q37 HydrophobicContact CD1-CB 4.25Å; I5-I38 HydrophobicContact CD1-CD1 4.33Å; I5-I38 HydrophobicContact CD1-CG1 3.68Å; I5-L41 HydrophobicContact CD1-CD1 4.25Å; I5-V49 HydrophobicContact CD1-CG1 3.84Å; I5-V49 HydrophobicContact CG1-CG1 4.13Å; I5-I50 PolarHBondContact N-O 3.33Å; I5-L51 HydrophobicContact CB-CD2 3.86Å; I5-L51 HydrophobicContact CD1-CD2 3.93Å; I5-L51 HydrophobicContact CG1-CD2 4.24Å; I5-A52 PolarHBondContact O-N 3.03Å; I5-L107 CarbonylContact C-O 3.52Å; I5-L107 WeakPolarHBondContact CA-O 3.46Å; I5-L107 HydrophobicContact CG1-CB 4.47Å; I5-L107 HydrophobicContact CG1-CD1 4.07Å
6L95.4Very high91.8Very high20 Ų2038.7 Ų38.711%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-74.296173.3-60.6174.7000108.8L4 A52 P89 V106 L107 S109L4-L6 HydrophobicContact CD2-CD2 3.51Å; L4-L6 HydrophobicContact CD2-CG 4.02Å; L6-A52 HydrophobicContact CD2-CB 4.29Å; L6-P89 HydrophobicContact CD2-CB 3.92Å; L6-P89 HydrophobicContact CD2-CG 3.96Å; L6-V106 HydrophobicContact CD1-CG1 4.06Å; L6-V106 HydrophobicContact CG-CG1 4.16Å; L6-L107 WeakPolarHBondContact CB-O 3.42Å; L6-L107 PolarHBondContact N-O 2.92Å; L6-S109 WeakPolarHBondContact O-CB 3.23Å; L6-S109 PolarHBondContact O-N 3.34Å; L6-S109 PolarHBondContact O-OG 3.2Å
7V90Very high92.1Very high13 Ų1336.4 Ų36.48%0.07919%0.19CC..  trans-96.7-9.8179.5175.60000111.4I5 P24 L51 A52 V53I5-V7 HydrophobicContact CB-CG2 4.32Å; I5-V7 HydrophobicContact CG2-CG2 3.83Å; I5-V7 PolarHBondContact O-N 3.13Å; I5-V7 VanDerWaalsContact O-N 3.12Å; V7-P24 HydrophobicContact CG1-CB 3.95Å; V7-P24 HydrophobicContact CG1-CG 3.43Å; V7-P24 VanDerWaalsContact CG1-CG 3.43Å; V7-P24 HydrophobicContact CG2-CB 4.49Å; V7-L51 HydrophobicContact CG2-CB 4.33Å; V7-L51 HydrophobicContact CG2-CD2 4.28Å; V7-A52 CarbonylContact C-O 3.53Å; V7-A52 WeakPolarHBondContact CA-O 3.33Å; V7-A52 VanDerWaalsContact CB-O 3.3Å; V7-A52 WeakPolarHBondContact CB-O 3.49Å; V7-A52 PolarHBondContact N-O 3.44Å; V7-V53 HydrophobicContact CB-CG1 3.89Å; V7-V53 HydrophobicContact CG1-CG1 3.81Å; V7-V53 HydrophobicContact CG2-CG1 4.5Å
8G76.7Confident92.3Very high40 Ų4035.3 Ų35.341%0.41219%0.185SC..  trans-49.4154.9-174.300000116.1A52 N54G8-A52 PolarHBondContact N-O 2.97Å; G8-A52 VanDerWaalsContact N-O 3.14Å; G8-N54 VanDerWaalsContact CA-OD1 3.27Å; G8-N54 WeakPolarHBondContact CA-OD1 3.3Å
9G76.5Confident92.4Very high41 Ų4137.5 Ų37.542%0.42320%0.197SC..SBendtrans89.3156.2-17700000114.4G11 N54G9-G11 PolarHBondContact O-N 3.12Å; G9-G11 VanDerWaalsContact O-N 3.1Å; G9-N54 PolarHBondContact N-ND2 3.38Å; G9-N54 PolarHBondContact N-OD1 3.23Å
10Y79.9Confident92.4Very high175 Ų17537.8 Ų37.869%0.68620%0.2SC*.  trans-80.113.8-173.5-58.8-76.5000114.7T12Y10-T12 PolarHBondContact O-N 3.13Å
11G88.9Confident92.3Very high11 Ų1138.2 Ų38.211%0.11320%0.199CC..  trans52.931.4-176.600000114G9 R13 L14 T18G9-G11 PolarHBondContact O-N 3.12Å; G9-G11 VanDerWaalsContact O-N 3.1Å; G11-R13 PolarHBondContact O-N 3.42Å; G11-L14 PolarHBondContact O-N 2.88Å; G11-T18 PolarHBondContact O-OG1 3.09Å
12T91.4Very high92.1Very high73 Ų7339.6 Ų39.645%0.44821%0.209SC..G310 helixtrans-59.9-32.9-167.557.20000113.6Y10 L14 R15Y10-T12 PolarHBondContact O-N 3.13Å; T12-L14 PolarHBondContact O-N 3.39Å; T12-R15 VanDerWaalsContact O-CB 3.31Å; T12-R15 WeakPolarHBondContact O-CB 2.9Å; T12-R15 VanDerWaalsContact O-CG 3.28Å; T12-R15 WeakPolarHBondContact O-CG 3.4Å; T12-R15 PolarHBondContact O-N 3.02Å
13R93.3Very high91.7Very high114 Ų11440 Ų4043%0.4321%0.211SC..G310 helixtrans-64.1-28.1177.7-65.6-171.9-69.6143.3-0.4112.9G11 D110 D217 G219 Q220 P221G11-R13 PolarHBondContact O-N 3.42Å; R13-D110 IonicContact NH2-OD2 3.63Å; R13-D217 IonicContact NH1-OD2 3.94Å; R13-D217 IonicContact NH2-OD2 2.84Å; R13-G219 VanDerWaalsContact CB-O 3.3Å; R13-G219 WeakPolarHBondContact CB-O 3.16Å; R13-Q220 HydrophobicContact CB-CB 4.23Å; R13-P221 VanDerWaalsContact O-CD 3.22Å; R13-P221 WeakPolarHBondContact O-CD 3.45Å
14L95.4Very high91.3Very high0 Ų040.2 Ų40.20%021%0.212CC..G310 helixtrans-92.73.9179.6-162.463.5000113.1G11 T12 L17 T18 K23 V26 M33 P221 F224G11-L14 PolarHBondContact O-N 2.88Å; T12-L14 PolarHBondContact O-N 3.39Å; L14-L17 HydrophobicContact CD1-CD1 4.36Å; L14-L17 HydrophobicContact CG-CD1 4.21Å; L14-L17 WeakPolarHBondContact O-CB 3.18Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-T18 HydrophobicContact CB-CG2 3.9Å; L14-T18 HydrophobicContact CD2-CG2 4.13Å; L14-T18 HydrophobicContact CG-CG2 4.29Å; L14-K23 HydrophobicContact CD2-CG 4.23Å; L14-V26 HydrophobicContact CD2-CG1 4.34Å; L14-M33 HydrophobicContact CD2-CE 4.06Å; L14-P221 HydrophobicContact CD1-CG 4.45Å; L14-F224 HydrophobicContact CD1-CB 4.41Å; L14-F224 HydrophobicContact CD1-CD2 4.03Å
15R95.9Very high91Very high101 Ų10140.6 Ų40.638%0.38121%0.214SC..THydrogen-bonded Turntrans-59.1144.2171.7-70.4176.4178.1172.9-3110.4T12 T18 L19T12-R15 VanDerWaalsContact O-CB 3.31Å; T12-R15 WeakPolarHBondContact O-CB 2.9Å; T12-R15 VanDerWaalsContact O-CG 3.28Å; T12-R15 WeakPolarHBondContact O-CG 3.4Å; T12-R15 PolarHBondContact O-N 3.02Å; R15-T18 VanDerWaalsContact CG-OG1 3.23Å; R15-T18 WeakPolarHBondContact CG-OG1 3.42Å; R15-T18 PolarHBondContact N-OG1 3.31Å; R15-L19 HydrophobicContact CG-CD2 4.2Å; R15-L19 HydrophobicContact CG-CG 4.08Å
16P97.4Very high90.9Very high1 Ų140.6 Ų40.61%0.00621%0.214CC..THydrogen-bonded Turncis-81.9-8.713.132.8-40.5000116.9T18 L19 V340 V358 L359P16-T18 PolarHBondContact O-N 3.16Å; P16-L19 HydrophobicContact CB-CD1 4.23Å; P16-L19 WeakPolarHBondContact O-CB 3.49Å; P16-L19 PolarHBondContact O-N 2.84Å; P16-L19 VanDerWaalsContact O-N 3.08Å; P16-V340 VanDerWaalsContact CD-CG1 3.5Å; P16-V340 HydrophobicContact CG-CB 4.34Å; P16-V340 HydrophobicContact CG-CG1 3.83Å; P16-V358 WeakPolarHBondContact CB-O 3.4Å; P16-V358 VanDerWaalsContact CG-O 3.22Å; P16-V358 WeakPolarHBondContact CG-O 3.35Å; P16-L359 HydrophobicContact CB-CD2 4.01Å
17L96.9Very high91Very high0 Ų041.1 Ų41.10%022%0.216CC..G310 helixtrans-59.1-36.1-173.7-57.1177.5000112.9L14 L19 V26 L307 I322 W325 V340 L341L14-L17 HydrophobicContact CD1-CD1 4.36Å; L14-L17 HydrophobicContact CG-CD1 4.21Å; L14-L17 WeakPolarHBondContact O-CB 3.18Å; L14-L17 PolarHBondContact O-N 3.12Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 3.14Å; L17-V26 HydrophobicContact CB-CG1 4.47Å; L17-V26 HydrophobicContact CD1-CG1 4.19Å; L17-L307 HydrophobicContact CD2-CD1 4.06Å; L17-I322 HydrophobicContact CD1-CG2 3.82Å; L17-I322 HydrophobicContact CD2-CG2 4.33Å; L17-W325 HydrophobicContact CB-CH2 4.02Å; L17-W325 HydrophobicContact CB-CZ3 4.15Å; L17-W325 HydrophobicContact CD2-CH2 4.27Å; L17-W325 HydrophobicContact CD2-CZ3 4Å; L17-V340 HydrophobicContact CD2-CG1 4.24Å; L17-V340 HydrophobicContact CG-CG1 4.08Å; L17-L341 WeakPolarHBondContact CD2-O 3.14Å
18T95Very high91.4Very high17 Ų1740.5 Ų40.510%0.10421%0.212CC..G310 helixtrans-85.18.2-177.352.30000114.5G11 L14 R15 P16 R21 K23 V26G11-T18 PolarHBondContact O-OG1 3.09Å; L14-T18 HydrophobicContact CB-CG2 3.9Å; L14-T18 HydrophobicContact CD2-CG2 4.13Å; L14-T18 HydrophobicContact CG-CG2 4.29Å; R15-T18 VanDerWaalsContact CG-OG1 3.23Å; R15-T18 WeakPolarHBondContact CG-OG1 3.42Å; R15-T18 PolarHBondContact N-OG1 3.31Å; P16-T18 PolarHBondContact O-N 3.16Å; T18-R21 CarbonylContact C-O 3.57Å; T18-R21 WeakPolarHBondContact CA-O 3.25Å; T18-K23 HydrophobicContact CG2-CB 3.93Å; T18-K23 HydrophobicContact CG2-CG 4.4Å; T18-V26 HydrophobicContact CG2-CG2 4.21Å
19L94.4Very high92.3Very high77 Ų7738.9 Ų38.940%0.40319%0.194SC..G310 helixtrans-80.6-31.8172.4-69.8173.3000112.6R15 P16 L17 L359 P360R15-L19 HydrophobicContact CG-CD2 4.2Å; R15-L19 HydrophobicContact CG-CG 4.08Å; P16-L19 HydrophobicContact CB-CD1 4.23Å; P16-L19 WeakPolarHBondContact O-CB 3.49Å; P16-L19 PolarHBondContact O-N 2.84Å; P16-L19 VanDerWaalsContact O-N 3.08Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 3.14Å; L19-L359 HydrophobicContact CD1-CD1 4.31Å; L19-L359 HydrophobicContact CD1-CD2 3.59Å; L19-L359 HydrophobicContact CD1-CG 4.36Å; L19-P360 HydrophobicContact CB-CG 4.08Å; L19-P360 HydrophobicContact CD1-CG 4.37Å
20T92.4Very high93.2Very high43 Ų4338.5 Ų38.526%0.26418%0.182SC..THydrogen-bonded Turntrans-108.1-14.6178.9620000113.4E343 P360T20-E343 VanDerWaalsContact CB-OE2 3.24Å; T20-E343 WeakPolarHBondContact CB-OE2 3.45Å; T20-E343 HydrophobicContact CG2-CB 4.15Å; T20-E343 PolarHBondContact OG1-OE2 3.02Å; T20-P360 HydrophobicContact CG2-CB 3.86Å; T20-P360 HydrophobicContact CG2-CG 3.65Å
21R91.3Very high93.9Very high46 Ų4632.4 Ų32.417%0.17416%0.16CC..SBendtrans-137138.2179.7-61.6-164.8-177.5-163.81.4112.7T18 K23 I25 V26 E27 M59 W325T18-R21 CarbonylContact C-O 3.57Å; T18-R21 WeakPolarHBondContact CA-O 3.25Å; R21-K23 PolarHBondContact O-N 2.97Å; R21-I25 HydrophobicContact CB-CD1 4.42Å; R21-I25 HydrophobicContact CB-CG1 4.36Å; R21-V26 HydrophobicContact CB-CG2 4.39Å; R21-E27 IonicContact CZ-OE1 2.98Å; R21-E27 IonicContact NH1-OE1 2.74Å; R21-E27 PolarHBondContact NH1-OE1 2.81Å; R21-E27 IonicContact NH1-OE2 3.85Å; R21-E27 PolarHBondContact NH1-OE2 2.89Å; R21-M59 HydrophobicContact CG-CE 4.48Å; R21-M59 HydrophobicContact CG-SD 3.99Å; R21-W325 HydrophobicContact CB-CH2 4.28Å; R21-W325 HydrophobicContact CG-CH2 4.18Å; R21-W325 HydrophobicContact CG-CZ2 4.43Å; R21-W325 HydrophobicContact CG-CZ3 4.33Å; R21-W325 VanDerWaalsContact CZ-NE1 3.29Å; R21-W325 VanDerWaalsContact NH2-CD1 3.34Å
22P90.1Very high94.1Very high43 Ų4332.7 Ų32.728%0.27916%0.159SC..  trans-53.7138166.7-25.230.9000111.9P24 I25 V26P22-P24 VanDerWaalsContact C-CD 3.44Å; P22-P24 HydrophobicContact CB-CG 4.22Å; P22-I25 HydrophobicContact CB-CD1 4.48Å; P22-I25 HydrophobicContact CB-CG1 4.12Å; P22-I25 HydrophobicContact CG-CD1 4.23Å; P22-I25 HydrophobicContact CG-CG1 4.4Å; P22-I25 WeakPolarHBondContact O-CG1 3.33Å; P22-I25 PolarHBondContact O-N 2.8Å; P22-I25 VanDerWaalsContact O-N 3.11Å; P22-V26 PolarHBondContact O-N 2.99Å
23K91.9Very high94.2Very high24 Ų2429.2 Ų29.210%0.10414%0.138CC..G310 helixtrans-45.6-49.9177.7-173.9-175.5-179.9-170.40115.3L14 T18 R21 I25 V26 M33 D110L14-K23 HydrophobicContact CD2-CG 4.23Å; T18-K23 HydrophobicContact CG2-CB 3.93Å; T18-K23 HydrophobicContact CG2-CG 4.4Å; R21-K23 PolarHBondContact O-N 2.97Å; K23-I25 PolarHBondContact O-N 3.27Å; K23-I25 VanDerWaalsContact O-N 3.11Å; K23-V26 WeakPolarHBondContact O-CB 3.28Å; K23-V26 PolarHBondContact O-N 3.04Å; K23-M33 HydrophobicContact CG-CE 4.34Å; K23-M33 HydrophobicContact CG-SD 4.34Å; K23-D110 IonicContact NZ-OD2 3.48Å; K23-D110 PolarHBondContact NZ-OD2 3.45Å
24P90Very high94.2Very high5 Ų523.8 Ų23.83%0.03212%0.118CC..G310 helixtrans-60.1-23.4-17725.2-40.2000114.3V7 P22 M33 M34V7-P24 HydrophobicContact CG1-CB 3.95Å; V7-P24 HydrophobicContact CG1-CG 3.43Å; V7-P24 VanDerWaalsContact CG1-CG 3.43Å; V7-P24 HydrophobicContact CG2-CB 4.49Å; P22-P24 VanDerWaalsContact C-CD 3.44Å; P22-P24 HydrophobicContact CB-CG 4.22Å; P24-M33 PolarHBondContact O-N 2.82Å; P24-M33 VanDerWaalsContact O-N 3.13Å; P24-M34 HydrophobicContact CB-CB 3.84Å; P24-M34 HydrophobicContact CB-CG 4.2Å; P24-M34 HydrophobicContact CB-SD 3.97Å; P24-M34 WeakPolarHBondContact O-CG 3.31Å; P24-M34 PolarHBondContact O-N 3.31Å
25I92.1Very high94.1Very high8 Ų824.3 Ų24.34%0.04112%0.12CC..G310 helixtrans-101.31.1179.466.7165.7000113.2R21 P22 K23 E27 M34 M59 E63R21-I25 HydrophobicContact CB-CD1 4.42Å; R21-I25 HydrophobicContact CB-CG1 4.36Å; P22-I25 HydrophobicContact CB-CD1 4.48Å; P22-I25 HydrophobicContact CB-CG1 4.12Å; P22-I25 HydrophobicContact CG-CD1 4.23Å; P22-I25 HydrophobicContact CG-CG1 4.4Å; P22-I25 WeakPolarHBondContact O-CG1 3.33Å; P22-I25 PolarHBondContact O-N 2.8Å; P22-I25 VanDerWaalsContact O-N 3.11Å; K23-I25 PolarHBondContact O-N 3.27Å; K23-I25 VanDerWaalsContact O-N 3.11Å; I25-E27 PolarHBondContact O-N 3.22Å; I25-M34 HydrophobicContact CG2-SD 4.35Å; I25-M59 HydrophobicContact CD1-CB 4.08Å; I25-M59 HydrophobicContact CD1-CG 3.4Å; I25-M59 VanDerWaalsContact CD1-CG 3.4Å; I25-M59 HydrophobicContact CD1-SD 3.23Å; I25-M59 WeakPolarHBondContact CD1-SD 3.33Å; I25-E63 HydrophobicContact CG2-CB 4.27Å; I25-E63 HydrophobicContact CG2-CG 4.23Å
26V95.2Very high94.1Very high0 Ų020 Ų200%011%0.105CC..SBendtrans-65.8127.3167.41780000107.7L14 L17 T18 R21 P22 K23 F28 M33 F224 W325L14-V26 HydrophobicContact CD2-CG1 4.34Å; L17-V26 HydrophobicContact CB-CG1 4.47Å; L17-V26 HydrophobicContact CD1-CG1 4.19Å; T18-V26 HydrophobicContact CG2-CG2 4.21Å; R21-V26 HydrophobicContact CB-CG2 4.39Å; P22-V26 PolarHBondContact O-N 2.99Å; K23-V26 WeakPolarHBondContact O-CB 3.28Å; K23-V26 PolarHBondContact O-N 3.04Å; V26-F28 PolarHBondContact O-N 2.95Å; V26-M33 PolarHBondContact O-N 2.8Å; V26-F224 HydrophobicContact CG1-CE2 4.48Å; V26-W325 HydrophobicContact CG1-CH2 4.09Å; V26-W325 HydrophobicContact CG1-CZ2 4.12Å; V26-W325 HydrophobicContact CG2-CH2 4.08Å; V26-W325 HydrophobicContact CG2-CZ2 4.48Å
27E96Very high94.1Very high31 Ų3120 Ų2015%0.14510%0.104CC..EExtended strand (participates in β ladder)trans-73.6118.9-176-57.190.3150.700110.7R21 I25 K31 F224 L307 W325R21-E27 IonicContact CZ-OE1 2.98Å; R21-E27 IonicContact NH1-OE1 2.74Å; R21-E27 PolarHBondContact NH1-OE1 2.81Å; R21-E27 IonicContact NH1-OE2 3.85Å; R21-E27 PolarHBondContact NH1-OE2 2.89Å; I25-E27 PolarHBondContact O-N 3.22Å; E27-K31 CarbonylContact C-O 3.53Å; E27-K31 VanDerWaalsContact CA-O 3.31Å; E27-K31 WeakPolarHBondContact CA-O 3.43Å; E27-F224 WeakPolarHBondContact O-CZ 3.41Å; E27-L307 HydrophobicContact CB-CD2 4.33Å; E27-W325 PolarHBondContact OE1-NE1 3.35Å; E27-W325 VanDerWaalsContact OE2-CE2 3.25Å; E27-W325 WeakPolarHBondContact OE2-CZ2 3.35Å; E27-W325 PolarHBondContact OE2-NE1 2.89Å
28F97.8Very high94.2Very high0 Ų020 Ų200%010%0.104CC..EExtended strand (participates in β ladder)trans-102.1119.5167.7178-91.7000108.6V26 N30 K31 H36 I112 V218 F224 G227 S228 Y231V26-F28 PolarHBondContact O-N 2.95Å; F28-N30 PolarHBondContact O-N 2.85Å; F28-K31 PolarHBondContact N-O 3.24Å; F28-K31 PolarHBondContact O-N 3.36Å; F28-H36 AromaticContact CD1-NE2 3.79Å; F28-H36 PolarHBondContact O-NE2 2.66Å; F28-I112 HydrophobicContact CD1-CD1 3.88Å; F28-I112 HydrophobicContact CD1-CG1 3.95Å; F28-I112 HydrophobicContact CD1-CG2 4.38Å; F28-I112 HydrophobicContact CE1-CB 4.26Å; F28-I112 HydrophobicContact CE1-CD1 4.18Å; F28-I112 HydrophobicContact CE1-CG1 3.83Å; F28-I112 HydrophobicContact CE1-CG2 3.67Å; F28-I112 HydrophobicContact CG-CD1 4.39Å; F28-I112 HydrophobicContact CG-CG1 4.36Å; F28-I112 HydrophobicContact CZ-CB 4.46Å; F28-I112 HydrophobicContact CZ-CG1 4.12Å; F28-I112 HydrophobicContact CZ-CG2 4.17Å; F28-V218 HydrophobicContact CD2-CB 4.31Å; F28-V218 HydrophobicContact CD2-CG1 4.15Å; F28-V218 HydrophobicContact CD2-CG2 4.29Å; F28-V218 HydrophobicContact CE2-CB 4.23Å; F28-V218 HydrophobicContact CE2-CG1 3.61Å; F28-V218 HydrophobicContact CZ-CG1 4.1Å; F28-F224 HydrophobicContact CB-CE2 4.13Å; F28-F224 HydrophobicContact CB-CZ 4.15Å; F28-F224 HydrophobicContact CD2-CD1 4.27Å; F28-F224 AromaticContact CD2-CD2 3.96Å; F28-F224 HydrophobicContact CD2-CD2 3.96Å; F28-F224 HydrophobicContact CD2-CE1 4Å; F28-F224 AromaticContact CD2-CE2 3.7Å; F28-F224 HydrophobicContact CD2-CE2 3.7Å; F28-F224 HydrophobicContact CD2-CG 4.25Å; F28-F224 AromaticContact CD2-CZ 3.72Å; F28-F224 HydrophobicContact CD2-CZ 3.72Å; F28-F224 HydrophobicContact CG-CE2 4.41Å; F28-F224 HydrophobicContact CG-CZ 4.39Å; F28-G227 VanDerWaalsContact CZ-C 3.4Å; F28-S228 WeakPolarHBondContact CE2-OG 3.42Å; F28-Y231 HydrophobicContact CE1-CD1 4.23Å; F28-Y231 HydrophobicContact CE1-CD2 4.35Å; F28-Y231 AromaticContact CE1-CG 3.9Å; F28-Y231 HydrophobicContact CE1-CG 3.9Å
29C97.1Very high94.2Very high6 Ų621.4 Ų21.44%0.04111%0.11CC..THydrogen-bonded Turntrans51.952-176.1-60.30000112.9K31 Y231 L254 V288C29-K31 PolarHBondContact O-N 2.89Å; C29-Y231 HydrophobicContact CB-CD1 3.5Å; C29-Y231 VanDerWaalsContact CB-CD1 3.5Å; C29-Y231 HydrophobicContact CB-CE1 3.56Å; C29-Y231 WeakPolarHBondContact SG-CD1 3.27Å; C29-L254 HydrophobicContact CB-CD2 3.83Å; C29-L254 WeakPolarHBondContact O-CD2 3.47Å; C29-V288 HydrophobicContact CB-CG2 4.5Å
30N94.9Very high94.4Very high33 Ų3318.8 Ų18.818%0.17610%0.099CC..THydrogen-bonded Turntrans63.913.1179.3-64.7-8.9000116.5F28 Q256 V288 I289 G290F28-N30 PolarHBondContact O-N 2.85Å; N30-Q256 PolarHBondContact ND2-N 3.11Å; N30-V288 VanDerWaalsContact OD1-CG1 3.24Å; N30-V288 WeakPolarHBondContact OD1-CG1 3.22Å; N30-I289 PolarHBondContact ND2-O 3.17Å; N30-I289 PolarHBondContact OD1-O 3.05Å; N30-G290 VanDerWaalsContact OD1-CA 3.29Å; N30-G290 WeakPolarHBondContact OD1-CA 3.48Å; N30-G290 PolarHBondContact OD1-N 2.86Å
31K93.7Very high94.6Very high48 Ų4816.7 Ų16.721%0.2099%0.087CC..EExtended strand (participates in β ladder)trans-132.7137.7177176.5-178.8-58.9-167.60110.3E27 F28 C29 M33 L35 E39E27-K31 CarbonylContact C-O 3.53Å; E27-K31 VanDerWaalsContact CA-O 3.31Å; E27-K31 WeakPolarHBondContact CA-O 3.43Å; F28-K31 PolarHBondContact N-O 3.24Å; F28-K31 PolarHBondContact O-N 3.36Å; C29-K31 PolarHBondContact O-N 2.89Å; K31-M33 PolarHBondContact O-N 3.47Å; K31-L35 HydrophobicContact CD-CB 4.1Å; K31-L35 HydrophobicContact CD-CD2 4.22Å; K31-L35 HydrophobicContact CD-CG 4.03Å; K31-L35 HydrophobicContact CG-CB 3.91Å; K31-L35 HydrophobicContact CG-CD2 3.96Å; K31-L35 HydrophobicContact CG-CG 4.12Å; K31-E39 WeakPolarHBondContact CE-OE1 3.46Å; K31-E39 IonicContact NZ-OE1 3.47Å; K31-E39 PolarHBondContact NZ-OE1 3.48Å; K31-E39 IonicContact NZ-OE2 3.91Å; K31-E39 PolarHBondContact NZ-OE2 3.07Å
32P93.6Very high94.9Very high17 Ų1715.7 Ų15.711%0.119%0.088CC..EExtended strand (participates in β ladder)trans-46.3133.1171.9-30.236.9000111.9M34 L35 H36P32-M34 VanDerWaalsContact C-N 3.29Å; P32-M34 PolarHBondContact O-N 2.86Å; P32-L35 HydrophobicContact CB-CB 4.09Å; P32-L35 WeakPolarHBondContact O-CB 3.43Å; P32-L35 PolarHBondContact O-N 3.19Å; P32-H36 PolarHBondContact O-CD2 3.09Å
33M94.2Very high95.2Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-51.9-46.2-174.9-170.1179.6-54.900112.8L14 K23 P24 V26 K31 L35 H36 D110 V218 F224L14-M33 HydrophobicContact CD2-CE 4.06Å; K23-M33 HydrophobicContact CG-CE 4.34Å; K23-M33 HydrophobicContact CG-SD 4.34Å; P24-M33 PolarHBondContact O-N 2.82Å; P24-M33 VanDerWaalsContact O-N 3.13Å; V26-M33 PolarHBondContact O-N 2.8Å; K31-M33 PolarHBondContact O-N 3.47Å; M33-L35 PolarHBondContact O-N 3.25Å; M33-H36 PolarHBondContact O-N 3.32Å; M33-D110 HydrophobicContact SD-CB 4.13Å; M33-V218 HydrophobicContact CE-CG2 3.92Å; M33-V218 HydrophobicContact CG-CG2 4.32Å; M33-V218 HydrophobicContact SD-CG2 3.81Å; M33-F224 HydrophobicContact CE-CE2 4.26Å
34M92.5Very high95.5Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-62.6-31.6178.971.1-178.5-150.200113P24 I25 P32 H36 Q37 I38 L51 E63P24-M34 HydrophobicContact CB-CB 3.84Å; P24-M34 HydrophobicContact CB-CG 4.2Å; P24-M34 HydrophobicContact CB-SD 3.97Å; P24-M34 WeakPolarHBondContact O-CG 3.31Å; P24-M34 PolarHBondContact O-N 3.31Å; I25-M34 HydrophobicContact CG2-SD 4.35Å; P32-M34 VanDerWaalsContact C-N 3.29Å; P32-M34 PolarHBondContact O-N 2.86Å; M34-H36 VanDerWaalsContact C-N 3.28Å; M34-H36 PolarHBondContact O-N 2.65Å; M34-Q37 PolarHBondContact O-N 3.32Å; M34-Q37 VanDerWaalsContact O-N 3.13Å; M34-I38 HydrophobicContact CB-CD1 4.29Å; M34-I38 HydrophobicContact CE-CD1 4.19Å; M34-I38 HydrophobicContact CG-CD1 4.11Å; M34-I38 WeakPolarHBondContact O-CG1 3.43Å; M34-I38 PolarHBondContact O-N 3.44Å; M34-I38 HydrophobicContact SD-CD1 4.38Å; M34-L51 HydrophobicContact SD-CD1 4.02Å; M34-E63 HydrophobicContact CE-CG 4.27Å
35L94.1Very high95.9Very high11 Ų1123.1 Ų23.16%0.05813%0.132CC..Hα-helixtrans-71.2-26.3-172.6-172.658.8000112K31 P32 M33 Q37 I38 E39 E67 L71K31-L35 HydrophobicContact CD-CB 4.1Å; K31-L35 HydrophobicContact CD-CD2 4.22Å; K31-L35 HydrophobicContact CD-CG 4.03Å; K31-L35 HydrophobicContact CG-CB 3.91Å; K31-L35 HydrophobicContact CG-CD2 3.96Å; K31-L35 HydrophobicContact CG-CG 4.12Å; P32-L35 HydrophobicContact CB-CB 4.09Å; P32-L35 WeakPolarHBondContact O-CB 3.43Å; P32-L35 PolarHBondContact O-N 3.19Å; M33-L35 PolarHBondContact O-N 3.25Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 2.98Å; L35-I38 HydrophobicContact CD1-CB 4.48Å; L35-I38 PolarHBondContact O-N 3.24Å; L35-E39 HydrophobicContact CD1-CG 3.91Å; L35-E39 HydrophobicContact CG-CG 4.08Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 WeakPolarHBondContact O-CG 3.48Å; L35-E39 PolarHBondContact O-N 2.87Å; L35-E67 HydrophobicContact CD1-CB 4.36Å; L35-E67 HydrophobicContact CD1-CG 3.97Å; L35-E67 VanDerWaalsContact CD1-OE2 3.26Å; L35-E67 WeakPolarHBondContact CD1-OE2 3.27Å; L35-E67 HydrophobicContact CD2-CG 4.45Å; L35-E67 VanDerWaalsContact CD2-OE2 3.28Å; L35-E67 WeakPolarHBondContact CD2-OE2 3.2Å; L35-L71 HydrophobicContact CD1-CD1 3.87Å
36H96.4Very high96.1Very high11 Ų1122.8 Ų22.85%0.05113%0.131CC..Hα-helixtrans-57.3-42.4170.7-70.8-87.7000112F28 P32 M33 M34 A40 I112 F115 Y231F28-H36 AromaticContact CD1-NE2 3.79Å; F28-H36 PolarHBondContact O-NE2 2.66Å; P32-H36 PolarHBondContact O-CD2 3.09Å; M33-H36 PolarHBondContact O-N 3.32Å; M34-H36 VanDerWaalsContact C-N 3.28Å; M34-H36 PolarHBondContact O-N 2.65Å; H36-A40 WeakPolarHBondContact O-CB 3.41Å; H36-I112 HydrophobicContact CB-CD1 4.15Å; H36-F115 HydrophobicContact CB-CE2 4.05Å; H36-Y231 AromaticContact CE1-CZ 3.64Å; H36-Y231 PolarHBondContact CE1-OH 3.47Å; H36-Y231 AromaticContact ND1-CE2 3.99Å; H36-Y231 AromaticContact ND1-CZ 3.84Å
37Q97.3Very high96.2Very high0 Ų027.2 Ų27.20%016%0.155CC..Hα-helixtrans-75-47.8178.9-61.8-178.8-1.200110.9I5 M34 L35 E39 A40 L41 L107 N108 V111 F115I5-Q37 HydrophobicContact CD1-CB 4.25Å; M34-Q37 PolarHBondContact O-N 3.32Å; M34-Q37 VanDerWaalsContact O-N 3.13Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 2.98Å; Q37-E39 PolarHBondContact O-N 3.49Å; Q37-A40 PolarHBondContact O-N 3.07Å; Q37-L41 WeakPolarHBondContact O-CB 3.44Å; Q37-L41 VanDerWaalsContact O-CG 3.23Å; Q37-L41 WeakPolarHBondContact O-CG 3.42Å; Q37-L41 PolarHBondContact O-N 3.29Å; Q37-L107 HydrophobicContact CB-CD2 4.44Å; Q37-L107 HydrophobicContact CG-CD2 4.48Å; Q37-N108 PolarHBondContact NE2-O 3.03Å; Q37-V111 PolarHBondContact NE2-O 2.76Å; Q37-F115 HydrophobicContact CG-CE1 3.71Å; Q37-F115 HydrophobicContact CG-CE2 4.41Å; Q37-F115 HydrophobicContact CG-CZ 3.59Å
38I97.3Very high96.3Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-62.9-43.8-175.3-63.6173.8000111.5I5 M34 L35 A40 L41 A42 V49 L51 L71 I73 I75I5-I38 HydrophobicContact CD1-CD1 4.33Å; I5-I38 HydrophobicContact CD1-CG1 3.68Å; M34-I38 HydrophobicContact CB-CD1 4.29Å; M34-I38 HydrophobicContact CE-CD1 4.19Å; M34-I38 HydrophobicContact CG-CD1 4.11Å; M34-I38 WeakPolarHBondContact O-CG1 3.43Å; M34-I38 PolarHBondContact O-N 3.44Å; M34-I38 HydrophobicContact SD-CD1 4.38Å; L35-I38 HydrophobicContact CD1-CB 4.48Å; L35-I38 PolarHBondContact O-N 3.24Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.17Å; I38-L41 PolarHBondContact O-N 2.95Å; I38-A42 WeakPolarHBondContact O-CB 3.49Å; I38-A42 PolarHBondContact O-N 3.49Å; I38-V49 HydrophobicContact CG1-CG1 4.3Å; I38-V49 HydrophobicContact CG2-CG2 4.37Å; I38-L51 HydrophobicContact CD1-CD2 4.37Å; I38-L71 HydrophobicContact CB-CD1 4.47Å; I38-L71 HydrophobicContact CG2-CD1 3.53Å; I38-I73 HydrophobicContact CG2-CD1 3.42Å; I38-I73 VanDerWaalsContact CG2-CD1 3.42Å; I38-I75 HydrophobicContact CD1-CD1 4.35Å; I38-I75 HydrophobicContact CG2-CD1 4.36Å
39E96.2Very high96.3Very high46 Ų4626.7 Ų26.722%0.21515%0.152CC..Hα-helixtrans-62.4-40.8175.7-80-179.4-156.900112.6K31 L35 Q37 K43 L71K31-E39 WeakPolarHBondContact CE-OE1 3.46Å; K31-E39 IonicContact NZ-OE1 3.47Å; K31-E39 PolarHBondContact NZ-OE1 3.48Å; K31-E39 IonicContact NZ-OE2 3.91Å; K31-E39 PolarHBondContact NZ-OE2 3.07Å; L35-E39 HydrophobicContact CD1-CG 3.91Å; L35-E39 HydrophobicContact CG-CG 4.08Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 WeakPolarHBondContact O-CG 3.48Å; L35-E39 PolarHBondContact O-N 2.87Å; Q37-E39 PolarHBondContact O-N 3.49Å; E39-K43 WeakPolarHBondContact O-CG 3.32Å; E39-K43 PolarHBondContact O-N 3.09Å; E39-L71 HydrophobicContact CG-CD1 4.35Å; E39-L71 HydrophobicContact CG-CD2 3.85Å
40A97.3Very high96.3Very high22 Ų2226.4 Ų26.418%0.18215%0.15CC..Hα-helixtrans-68-40.3178.500000111.1H36 Q37 I38 K43 A44 F115 F117H36-A40 WeakPolarHBondContact O-CB 3.41Å; Q37-A40 PolarHBondContact O-N 3.07Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.17Å; A40-K43 PolarHBondContact O-N 3.18Å; A40-A44 PolarHBondContact O-N 3.02Å; A40-A44 VanDerWaalsContact O-N 3.14Å; A40-F115 HydrophobicContact CB-CB 3.62Å; A40-F115 HydrophobicContact CB-CD2 4Å; A40-F115 HydrophobicContact CB-CG 4.04Å; A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.57Å
41L98.4Very high96.4Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-61.3-48.4174.1-72.9166.1000111A3 I5 Q37 I38 K43 A44 G45 V46 V49 F105 L107 F117A3-L41 HydrophobicContact CB-CD1 3.65Å; A3-L41 HydrophobicContact CB-CD2 4Å; A3-L41 HydrophobicContact CB-CG 4.4Å; I5-L41 HydrophobicContact CD1-CD1 4.25Å; Q37-L41 WeakPolarHBondContact O-CB 3.44Å; Q37-L41 VanDerWaalsContact O-CG 3.23Å; Q37-L41 WeakPolarHBondContact O-CG 3.42Å; Q37-L41 PolarHBondContact O-N 3.29Å; I38-L41 PolarHBondContact O-N 2.95Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 2.87Å; L41-A44 CarbonylContact O-C 3.51Å; L41-A44 WeakPolarHBondContact O-CA 3.41Å; L41-A44 WeakPolarHBondContact O-CB 3.33Å; L41-A44 PolarHBondContact O-N 2.84Å; L41-G45 PolarHBondContact O-N 3.3Å; L41-V46 HydrophobicContact CB-CB 3.89Å; L41-V46 HydrophobicContact CB-CG1 4.22Å; L41-V46 HydrophobicContact CB-CG2 4.05Å; L41-V46 HydrophobicContact CD2-CG2 3.93Å; L41-V46 WeakPolarHBondContact O-CB 3.41Å; L41-V46 PolarHBondContact O-N 3.09Å; L41-V49 HydrophobicContact CD1-CG2 4.38Å; L41-F105 HydrophobicContact CD2-CB 4.13Å; L41-F105 HydrophobicContact CD2-CD2 3.73Å; L41-F105 HydrophobicContact CD2-CE2 4.27Å; L41-F105 HydrophobicContact CD2-CG 3.92Å; L41-L107 HydrophobicContact CD1-CD1 3.96Å; L41-L107 HydrophobicContact CD1-CD2 4.48Å; L41-L107 HydrophobicContact CD2-CD1 4.29Å; L41-F117 HydrophobicContact CB-CD2 4.49Å; L41-F117 HydrophobicContact CB-CE2 4.26Å; L41-F117 HydrophobicContact CD2-CD1 4.22Å; L41-F117 HydrophobicContact CD2-CD2 3.77Å; L41-F117 HydrophobicContact CD2-CE1 4.04Å; L41-F117 HydrophobicContact CD2-CE2 3.54Å; L41-F117 HydrophobicContact CD2-CG 4.11Å; L41-F117 HydrophobicContact CD2-CZ 3.71Å; L41-F117 HydrophobicContact CG-CD2 4.02Å; L41-F117 HydrophobicContact CG-CE2 3.48Å; L41-F117 VanDerWaalsContact CG-CE2 3.48Å; L41-F117 HydrophobicContact CG-CZ 3.9Å
42A97.4Very high96.4Very high25 Ų2522.6 Ų22.621%0.20713%0.132CC..Hα-helixtrans-58-44.3178.200000111.8I38 A44 G45 V46 I73I38-A42 WeakPolarHBondContact O-CB 3.49Å; I38-A42 PolarHBondContact O-N 3.49Å; A42-A44 PolarHBondContact O-N 3.15Å; A42-G45 PolarHBondContact O-N 3.03Å; A42-V46 WeakPolarHBondContact CA-O 3.46Å; A42-I73 HydrophobicContact CB-CG2 3.89Å
43K96.7Very high96.3Very high160 Ų16022 Ų2270%0.69613%0.128SC*.Hα-helixtrans-61.9-27.5174.4-78.5173.8-179.9166.40113.8E39 A40 L41 G45E39-K43 WeakPolarHBondContact O-CG 3.32Å; E39-K43 PolarHBondContact O-N 3.09Å; A40-K43 PolarHBondContact O-N 3.18Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 2.87Å; K43-G45 VanDerWaalsContact C-N 3.28Å
44A97.8Very high95.8Very high20 Ų2024.1 Ų24.117%0.16514%0.139CC..THydrogen-bonded Turntrans-851.7176.100000113.6A40 L41 A42 F117 V118 I121A40-A44 PolarHBondContact O-N 3.02Å; A40-A44 VanDerWaalsContact O-N 3.14Å; L41-A44 CarbonylContact O-C 3.51Å; L41-A44 WeakPolarHBondContact O-CA 3.41Å; L41-A44 WeakPolarHBondContact O-CB 3.33Å; L41-A44 PolarHBondContact O-N 2.84Å; A42-A44 PolarHBondContact O-N 3.15Å; A44-F117 HydrophobicContact CB-CB 3.53Å; A44-F117 HydrophobicContact CB-CD2 4.44Å; A44-F117 HydrophobicContact CB-CG 4.47Å; A44-V118 HydrophobicContact CB-CG2 4.01Å; A44-I121 HydrophobicContact CB-CD1 4.39Å
45G96.9Very high95.2Very high47 Ų4731.4 Ų31.449%0.48517%0.168SC..THydrogen-bonded Turntrans90.916.217900000114.6L41 A42 K43L41-G45 PolarHBondContact O-N 3.3Å; A42-G45 PolarHBondContact O-N 3.03Å; K43-G45 VanDerWaalsContact C-N 3.28Å
46V98.1Very high94.2Very high2 Ų236.4 Ų36.41%0.01219%0.186CC..  trans-76.7122.8167.8175.70000109M1 A3 L41 A42 V49 F105M1-V46 HydrophobicContact CB-CG2 4.49Å; M1-V46 HydrophobicContact CG-CG2 4.16Å; M1-V46 VanDerWaalsContact O-CA 3.29Å; M1-V46 WeakPolarHBondContact O-CA 3.35Å; M1-V46 WeakPolarHBondContact O-CG1 3.32Å; M1-V46 HydrophobicContact SD-CG2 4.41Å; A3-V46 HydrophobicContact CB-CG1 3.92Å; L41-V46 HydrophobicContact CB-CB 3.89Å; L41-V46 HydrophobicContact CB-CG1 4.22Å; L41-V46 HydrophobicContact CB-CG2 4.05Å; L41-V46 HydrophobicContact CD2-CG2 3.93Å; L41-V46 WeakPolarHBondContact O-CB 3.41Å; L41-V46 PolarHBondContact O-N 3.09Å; A42-V46 WeakPolarHBondContact CA-O 3.46Å; V46-V49 HydrophobicContact CG1-CG2 4.07Å; V46-F105 HydrophobicContact CG2-CD2 4.04Å; V46-F105 HydrophobicContact CG2-CE2 4.31Å
47D96.8Very high93.2Very high93 Ų9336 Ų3650%0.49719%0.186SC..  trans-108.6-10.6-175.655.6-0.1000113.2M1 K74M1-D47 PolarHBondContact N-OD1 2.63Å; M1-D47 VanDerWaalsContact N-OD1 3.09Å; M1-D47 PolarHBondContact O-N 3.4Å; D47-K74 PolarHBondContact O-N 3Å
48H97.8Very high92.6Very high19 Ų1944.5 Ų44.59%0.08823%0.225CC..EExtended strand (participates in β ladder)trans-141.8116179-177.9-166.1000111.7K2 A3 K74 D76K2-H48 CarbonylContact C-O 3.54Å; K2-H48 VanDerWaalsContact CA-O 3.25Å; K2-H48 WeakPolarHBondContact CA-O 3.39Å; K2-H48 HydrophobicContact CG-CB 4.18Å; A3-H48 PolarHBondContact N-O 3.28Å; H48-K74 CarbonylContact C-O 3.54Å; H48-K74 WeakPolarHBondContact CA-O 3.27Å; H48-K74 HydrophobicContact CB-CB 4.41Å; H48-D76 IonicContact CD2-OD2 2.92Å; H48-D76 IonicContact CE1-OD2 3.87Å; H48-D76 PolarHBondContact CE1-OD2 3.06Å; H48-D76 IonicContact NE2-OD2 3.27Å; H48-D76 PolarHBondContact NE2-OD2 3.34Å
49V98.1Very high92.1Very high0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-105.6138.5175.6176.90000109.8A3 I5 I38 L41 V46 L51 I73 K74 I75 D76A3-V49 HydrophobicContact CB-CG2 4.38Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.33Å; I5-V49 HydrophobicContact CD1-CG1 3.84Å; I5-V49 HydrophobicContact CG1-CG1 4.13Å; I38-V49 HydrophobicContact CG1-CG1 4.3Å; I38-V49 HydrophobicContact CG2-CG2 4.37Å; L41-V49 HydrophobicContact CD1-CG2 4.38Å; V46-V49 HydrophobicContact CG1-CG2 4.07Å; V49-L51 HydrophobicContact CG1-CD2 3.79Å; V49-I73 HydrophobicContact CG2-CD1 3.89Å; V49-K74 PolarHBondContact N-O 2.82Å; V49-I75 HydrophobicContact CB-CG1 4.38Å; V49-I75 CarbonylContact O-C 3.52Å; V49-I75 VanDerWaalsContact O-CA 3.28Å; V49-I75 WeakPolarHBondContact O-CA 3.33Å; V49-D76 PolarHBondContact O-N 2.78Å
50I97.2Very high91.7Very high0 Ų046.8 Ų46.80%024%0.237CC..EExtended strand (participates in β ladder)trans-115117.9175.3-58.2157.1000107.4A3 L4 I5 D76 A93 L96 I97A3-I50 PolarHBondContact O-N 2.81Å; L4-I50 CarbonylContact C-O 3.58Å; L4-I50 VanDerWaalsContact CA-O 3.28Å; L4-I50 WeakPolarHBondContact CA-O 3.34Å; L4-I50 HydrophobicContact CB-CB 4.44Å; L4-I50 HydrophobicContact CD1-CG2 4.3Å; L4-I50 HydrophobicContact CG-CB 4.43Å; L4-I50 HydrophobicContact CG-CG2 4.46Å; I5-I50 PolarHBondContact N-O 3.33Å; I50-D76 CarbonylContact C-O 3.55Å; I50-D76 WeakPolarHBondContact CA-O 3.32Å; I50-A93 HydrophobicContact CG2-CB 4.05Å; I50-L96 HydrophobicContact CD1-CB 3.62Å; I50-L96 HydrophobicContact CD1-CD1 4.42Å; I50-L96 HydrophobicContact CG1-CB 4.21Å; I50-L96 HydrophobicContact CG1-CD1 4.24Å; I50-L96 HydrophobicContact CG2-CD1 4.03Å; I50-I97 HydrophobicContact CD1-CG1 3.77Å
51L95.9Very high91.3Very high1 Ų148.1 Ų48.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-90.8112.1172.9-55.5-173000109I5 V7 M34 I38 V49 V53 I64 I75 D76 V77 S78I5-L51 HydrophobicContact CB-CD2 3.86Å; I5-L51 HydrophobicContact CD1-CD2 3.93Å; I5-L51 HydrophobicContact CG1-CD2 4.24Å; V7-L51 HydrophobicContact CG2-CB 4.33Å; V7-L51 HydrophobicContact CG2-CD2 4.28Å; M34-L51 HydrophobicContact SD-CD1 4.02Å; I38-L51 HydrophobicContact CD1-CD2 4.37Å; V49-L51 HydrophobicContact CG1-CD2 3.79Å; L51-V53 HydrophobicContact CB-CG1 3.98Å; L51-V53 PolarHBondContact O-N 2.84Å; L51-I64 HydrophobicContact CD1-CD1 3.91Å; L51-I64 HydrophobicContact CD1-CG1 4.15Å; L51-I75 HydrophobicContact CD1-CG2 4.01Å; L51-I75 HydrophobicContact CG-CG2 3.94Å; L51-D76 PolarHBondContact N-O 2.85Å; L51-V77 HydrophobicContact CB-CG2 4.39Å; L51-V77 CarbonylContact O-C 3.5Å; L51-V77 WeakPolarHBondContact O-CA 3.47Å; L51-S78 PolarHBondContact O-N 2.88Å
52A95.1Very high90.9Very high0 Ų055.8 Ų55.80%027%0.273CS..EExtended strand (participates in β ladder)trans-83102.7173.300000109.4L4 I5 L6 V7 G8 S78 P89L4-A52 HydrophobicContact CD2-CB 4.01Å; L4-A52 HydrophobicContact CG-CB 4.37Å; I5-A52 PolarHBondContact O-N 3.03Å; L6-A52 HydrophobicContact CD2-CB 4.29Å; V7-A52 CarbonylContact C-O 3.53Å; V7-A52 WeakPolarHBondContact CA-O 3.33Å; V7-A52 VanDerWaalsContact CB-O 3.3Å; V7-A52 WeakPolarHBondContact CB-O 3.49Å; V7-A52 PolarHBondContact N-O 3.44Å; G8-A52 PolarHBondContact N-O 2.97Å; G8-A52 VanDerWaalsContact N-O 3.14Å; A52-S78 WeakPolarHBondContact CA-O 3.34Å; A52-P89 HydrophobicContact CB-CB 3.65Å
53V91.5Very high90.5Very high4 Ų456.4 Ų56.42%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-123.2154.2-171.6-52.90000111.5V7 L51 Y55 R56 M60 V77 S78 V79 E80V7-V53 HydrophobicContact CB-CG1 3.89Å; V7-V53 HydrophobicContact CG1-CG1 3.81Å; V7-V53 HydrophobicContact CG2-CG1 4.5Å; L51-V53 HydrophobicContact CB-CG1 3.98Å; L51-V53 PolarHBondContact O-N 2.84Å; V53-Y55 WeakPolarHBondContact CG2-O 3.24Å; V53-R56 HydrophobicContact CG2-CG 4.43Å; V53-M60 HydrophobicContact CG1-CE 4.03Å; V53-M60 HydrophobicContact CG2-CE 4.19Å; V53-V77 HydrophobicContact CB-CG1 4.27Å; V53-V77 HydrophobicContact CG1-CG1 4.08Å; V53-V77 HydrophobicContact CG2-CG1 3.19Å; V53-S78 PolarHBondContact N-O 2.66Å; V53-V79 HydrophobicContact CG2-CG2 4.17Å; V53-V79 CarbonylContact O-C 3.59Å; V53-V79 VanDerWaalsContact O-CA 3.32Å; V53-V79 WeakPolarHBondContact O-CA 3.29Å; V53-E80 PolarHBondContact O-N 2.69Å
54N84.1Confident90.2Very high45 Ų4549 Ų4924%0.24124%0.239CC..SBendtrans-88.4-8.7172.3-60.319.3000112.7G8 G9G8-N54 VanDerWaalsContact CA-OD1 3.27Å; G8-N54 WeakPolarHBondContact CA-OD1 3.3Å; G9-N54 PolarHBondContact N-ND2 3.38Å; G9-N54 PolarHBondContact N-OD1 3.23Å
55Y79.2Confident89.9Confident154 Ų15454.7 Ų54.760%0.60426%0.26SS*.  trans-159.1136.1-173.7164.7-107.9000110.9V53 G57V53-Y55 WeakPolarHBondContact CG2-O 3.24Å; Y55-G57 VanDerWaalsContact CE1-N 3.34Å; Y55-G57 WeakPolarHBondContact OH-CA 3.2Å
56R72.6Confident89.6Confident115 Ų11556.3 Ų56.343%0.43425%0.254SS..  trans-99.3105.6168.7-81.1176.7176.6-130.915109.9V53 M60 E61 V77 V79V53-R56 HydrophobicContact CG2-CG 4.43Å; R56-M60 HydrophobicContact CG-CE 4.18Å; R56-E61 WeakPolarHBondContact CD-OE1 3.17Å; R56-E61 IonicContact CZ-OE1 2.92Å; R56-E61 IonicContact NE-OE1 2.8Å; R56-E61 IonicContact NH1-OE1 2.75Å; R56-E61 PolarHBondContact NH1-OE1 3Å; R56-V77 HydrophobicContact CG-CB 4.47Å; R56-V77 HydrophobicContact CG-CG1 3.75Å; R56-V77 PolarHBondContact NH2-O 2.69Å; R56-V79 VanDerWaalsContact CD-CG2 3.44Å; R56-V79 HydrophobicContact CG-CG2 3.55Å
57G76.1Confident89.2Confident4 Ų456.6 Ų56.64%0.04126%0.255CS..  trans-103151.7174.100000113.1Y55 M59 M60 E61Y55-G57 VanDerWaalsContact CE1-N 3.34Å; Y55-G57 WeakPolarHBondContact OH-CA 3.2Å; G57-M59 PolarHBondContact O-N 2.88Å; G57-M60 PolarHBondContact O-N 2.92Å; G57-E61 PolarHBondContact O-N 2.95Å
58E85Confident88.9Confident178 Ų17854.8 Ų54.883%0.83224%0.244SC*.Hα-helixtrans-53.4-38.5179.1-65-175.7172.100112.7E61 K62E58-E61 PolarHBondContact O-N 2.87Å; E58-K62 VanDerWaalsContact O-CB 3.31Å; E58-K62 WeakPolarHBondContact O-CB 3.25Å; E58-K62 PolarHBondContact O-N 2.87Å
59M85.8Confident88.6Confident90 Ų9058 Ų5844%0.44327%0.273SS..Hα-helixtrans-65-40178.6-164.9178.8-68.300111.9R21 I25 G57 E63R21-M59 HydrophobicContact CG-CE 4.48Å; R21-M59 HydrophobicContact CG-SD 3.99Å; I25-M59 HydrophobicContact CD1-CB 4.08Å; I25-M59 HydrophobicContact CD1-CG 3.4Å; I25-M59 VanDerWaalsContact CD1-CG 3.4Å; I25-M59 HydrophobicContact CD1-SD 3.23Å; I25-M59 WeakPolarHBondContact CD1-SD 3.33Å; G57-M59 PolarHBondContact O-N 2.88Å; M59-E63 PolarHBondContact O-N 3.37Å; M59-E63 VanDerWaalsContact O-N 3.11Å
60M88.2Confident88.2Confident4 Ų461.6 Ų61.62%0.0230%0.299CS..Hα-helixtrans-71.1-44.9178.7-172.4-78.8-93.200110.4V53 R56 G57 K62 E63 I64 V77V53-M60 HydrophobicContact CG1-CE 4.03Å; V53-M60 HydrophobicContact CG2-CE 4.19Å; R56-M60 HydrophobicContact CG-CE 4.18Å; G57-M60 PolarHBondContact O-N 2.92Å; M60-K62 VanDerWaalsContact C-N 3.34Å; M60-K62 PolarHBondContact O-N 2.95Å; M60-E63 PolarHBondContact O-N 2.8Å; M60-I64 HydrophobicContact CE-CD1 4.09Å; M60-I64 WeakPolarHBondContact O-CG1 3.22Å; M60-I64 PolarHBondContact O-N 2.8Å; M60-I64 HydrophobicContact SD-CD1 3.13Å; M60-I64 WeakPolarHBondContact SD-CD1 3.2Å; M60-I64 HydrophobicContact SD-CG1 3.64Å; M60-V77 HydrophobicContact CE-CB 4.29Å; M60-V77 HydrophobicContact CE-CG1 3.71Å; M60-V77 HydrophobicContact CE-CG2 3.59Å; M60-V77 HydrophobicContact SD-CG2 4.14Å
61E89.1Confident87.9Confident49 Ų4964 Ų6423%0.22931%0.311CS..Hα-helixtrans-61-40.3176.5-71.9-75.6171.400112.5R56 G57 E58 K65R56-E61 WeakPolarHBondContact CD-OE1 3.17Å; R56-E61 IonicContact CZ-OE1 2.92Å; R56-E61 IonicContact NE-OE1 2.8Å; R56-E61 IonicContact NH1-OE1 2.75Å; R56-E61 PolarHBondContact NH1-OE1 3Å; G57-E61 PolarHBondContact O-N 2.95Å; E58-E61 PolarHBondContact O-N 2.87Å; E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 3.05Å; E61-K65 VanDerWaalsContact O-N 3.13Å
62K89.3Confident87.8Confident161 Ų16167.3 Ų67.370%0.735%0.346SS*.Hα-helixtrans-64.3-43.3175.1-176.6179.6177.2-178.60111.6E58 M60 K66E58-K62 VanDerWaalsContact O-CB 3.31Å; E58-K62 WeakPolarHBondContact O-CB 3.25Å; E58-K62 PolarHBondContact O-N 2.87Å; M60-K62 VanDerWaalsContact C-N 3.34Å; M60-K62 PolarHBondContact O-N 2.95Å; K62-K66 PolarHBondContact O-N 3.22Å
63E88.9Confident87.9Confident39 Ų3968.1 Ų68.118%0.18235%0.35CS..Hα-helixtrans-65.8-45.5177.9-159.465.5-166.800110.5I25 M34 M59 M60 K65 K66 E67I25-E63 HydrophobicContact CG2-CB 4.27Å; I25-E63 HydrophobicContact CG2-CG 4.23Å; M34-E63 HydrophobicContact CE-CG 4.27Å; M59-E63 PolarHBondContact O-N 3.37Å; M59-E63 VanDerWaalsContact O-N 3.11Å; M60-E63 PolarHBondContact O-N 2.8Å; E63-K65 PolarHBondContact O-N 2.99Å; E63-K66 WeakPolarHBondContact O-CB 3.29Å; E63-K66 PolarHBondContact O-N 3.25Å; E63-K66 IonicContact OE1-NZ 3.61Å; E63-K66 PolarHBondContact OE1-NZ 3.11Å; E63-K66 VanDerWaalsContact OE1-NZ 3.14Å; E63-E67 HydrophobicContact CG-CG 4.38Å; E63-E67 WeakPolarHBondContact O-CG 3.27Å; E63-E67 PolarHBondContact O-N 3.2Å
64I91.3Very high88.1Confident4 Ų472.8 Ų72.82%0.02137%0.37CS..Hα-helixtrans-51-54.3175.1-77.3-176000111.7L51 M60 K66 E67 E68 I75 V77L51-I64 HydrophobicContact CD1-CD1 3.91Å; L51-I64 HydrophobicContact CD1-CG1 4.15Å; M60-I64 HydrophobicContact CE-CD1 4.09Å; M60-I64 WeakPolarHBondContact O-CG1 3.22Å; M60-I64 PolarHBondContact O-N 2.8Å; M60-I64 HydrophobicContact SD-CD1 3.13Å; M60-I64 WeakPolarHBondContact SD-CD1 3.2Å; M60-I64 HydrophobicContact SD-CG1 3.64Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.95Å; I64-E67 PolarHBondContact O-N 3.07Å; I64-E68 HydrophobicContact CG2-CG 4.14Å; I64-E68 WeakPolarHBondContact O-CG 3.28Å; I64-E68 PolarHBondContact O-N 3.14Å; I64-I75 HydrophobicContact CD1-CG2 3.97Å; I64-I75 HydrophobicContact CG1-CG2 4.04Å; I64-I75 HydrophobicContact CG2-CB 3.95Å; I64-I75 HydrophobicContact CG2-CG2 4.02Å; I64-V77 HydrophobicContact CD1-CG2 3.17Å
65K90.9Very high88.7Confident139 Ų13970.9 Ų70.960%0.60436%0.36SS*.Hα-helixtrans-61.4-37.4-175.9-73.1177.5-178.2178.60112.3E61 E63 A69E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 3.05Å; E61-K65 VanDerWaalsContact O-N 3.13Å; E63-K65 PolarHBondContact O-N 2.99Å; K65-A69 PolarHBondContact O-N 3.43Å
66K90.1Very high89.4Confident81 Ų8165.3 Ų65.335%0.35234%0.34SS..Hα-helixtrans-62.7-47.4174.8174.6-179162.1-102.30110.3K62 E63 I64 S70K62-K66 PolarHBondContact O-N 3.22Å; E63-K66 WeakPolarHBondContact O-CB 3.29Å; E63-K66 PolarHBondContact O-N 3.25Å; E63-K66 IonicContact OE1-NZ 3.61Å; E63-K66 PolarHBondContact OE1-NZ 3.11Å; E63-K66 VanDerWaalsContact OE1-NZ 3.14Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.95Å; K66-S70 PolarHBondContact O-N 3.27Å; K66-S70 VanDerWaalsContact O-N 3.15Å
67E89.7Confident90.4Very high8 Ų860.3 Ų60.34%0.03732%0.323CS..Hα-helixtrans-72.3-40-176.3-60.3-45.2132.300112.9L35 E63 I64 A69 S70 L71 I75L35-E67 HydrophobicContact CD1-CB 4.36Å; L35-E67 HydrophobicContact CD1-CG 3.97Å; L35-E67 VanDerWaalsContact CD1-OE2 3.26Å; L35-E67 WeakPolarHBondContact CD1-OE2 3.27Å; L35-E67 HydrophobicContact CD2-CG 4.45Å; L35-E67 VanDerWaalsContact CD2-OE2 3.28Å; L35-E67 WeakPolarHBondContact CD2-OE2 3.2Å; E63-E67 HydrophobicContact CG-CG 4.38Å; E63-E67 WeakPolarHBondContact O-CG 3.27Å; E63-E67 PolarHBondContact O-N 3.2Å; I64-E67 PolarHBondContact O-N 3.07Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 2.93Å; E67-S70 PolarHBondContact O-N 2.98Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-S70 PolarHBondContact O-OG 3.07Å; E67-S70 PolarHBondContact OE2-OG 2.69Å; E67-L71 WeakPolarHBondContact O-CB 3.42Å; E67-L71 WeakPolarHBondContact O-CG 3.4Å; E67-L71 PolarHBondContact O-N 2.89Å; E67-I75 HydrophobicContact CB-CD1 4.24Å
68E92.1Very high91.2Very high56 Ų5660.5 Ų60.526%0.26232%0.323SS..Hα-helixtrans-52.3-49.4172.6-76.6-170.9121.900111.2I64 S70 G72 I75I64-E68 HydrophobicContact CG2-CG 4.14Å; I64-E68 WeakPolarHBondContact O-CG 3.28Å; I64-E68 PolarHBondContact O-N 3.14Å; E68-S70 VanDerWaalsContact C-N 3.33Å; E68-S70 PolarHBondContact O-N 3.38Å; E68-G72 PolarHBondContact O-N 3.06Å; E68-I75 HydrophobicContact CG-CB 3.73Å; E68-I75 HydrophobicContact CG-CD1 3.9Å; E68-I75 HydrophobicContact CG-CG1 3.73Å; E68-I75 PolarHBondContact OE1-N 2.99Å
69A89.7Confident91.5Very high86 Ų8654.3 Ų54.371%0.71130%0.297SS*.Hα-helixtrans-65-37-18000000112.5K65 E67K65-A69 PolarHBondContact O-N 3.43Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 2.93Å
70S89.7Confident91.7Very high76 Ų7650.5 Ų50.553%0.53128%0.279SS..Hα-helixtrans-76.7-33.8-17878.10000113.6K66 E67 E68K66-S70 PolarHBondContact O-N 3.27Å; K66-S70 VanDerWaalsContact O-N 3.15Å; E67-S70 PolarHBondContact O-N 2.98Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-S70 PolarHBondContact O-OG 3.07Å; E67-S70 PolarHBondContact OE2-OG 2.69Å; E68-S70 VanDerWaalsContact C-N 3.33Å; E68-S70 PolarHBondContact O-N 3.38Å
71L92.4Very high91.6Very high49 Ų4958 Ų5826%0.25732%0.318SS..Hα-helixtrans-98.2-16.4-174.3-61.9-179.9000113.2L35 I38 E39 E67 I73L35-L71 HydrophobicContact CD1-CD1 3.87Å; I38-L71 HydrophobicContact CB-CD1 4.47Å; I38-L71 HydrophobicContact CG2-CD1 3.53Å; E39-L71 HydrophobicContact CG-CD1 4.35Å; E39-L71 HydrophobicContact CG-CD2 3.85Å; E67-L71 WeakPolarHBondContact O-CB 3.42Å; E67-L71 WeakPolarHBondContact O-CG 3.4Å; E67-L71 PolarHBondContact O-N 2.89Å; L71-I73 VanDerWaalsContact C-N 3.3Å; L71-I73 HydrophobicContact CB-CG1 4.07Å; L71-I73 HydrophobicContact CB-CG2 4.49Å; L71-I73 HydrophobicContact CD1-CD1 4.31Å; L71-I73 PolarHBondContact O-N 3.03Å
72G93.7Very high91.6Very high71 Ų7162.6 Ų62.673%0.73234%0.34SS*.THydrogen-bonded Turntrans68.629.1-177.900000113.3E68E68-G72 PolarHBondContact O-N 3.06Å
73I95.6Very high91.5Very high18 Ų1859.9 Ų59.99%0.09234%0.339CS..  trans-118.8162.3177.170.1170.9000110.3I38 A42 V49 L71 I75I38-I73 HydrophobicContact CG2-CD1 3.42Å; I38-I73 VanDerWaalsContact CG2-CD1 3.42Å; A42-I73 HydrophobicContact CB-CG2 3.89Å; V49-I73 HydrophobicContact CG2-CD1 3.89Å; L71-I73 VanDerWaalsContact C-N 3.3Å; L71-I73 HydrophobicContact CB-CG1 4.07Å; L71-I73 HydrophobicContact CB-CG2 4.49Å; L71-I73 HydrophobicContact CD1-CD1 4.31Å; L71-I73 PolarHBondContact O-N 3.03Å; I73-I75 HydrophobicContact CD1-CD1 4.37Å; I73-I75 HydrophobicContact CD1-CG1 4.08Å; I73-I75 HydrophobicContact CG1-CD1 4.47Å; I73-I75 HydrophobicContact CG1-CG1 4.11Å
74K96.6Very high91.6Very high101 Ų10159 Ų5944%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-88.6137.2170.4-170.9-178.9-176.5-1510110.7D47 H48 V49 D76D47-K74 PolarHBondContact O-N 3Å; H48-K74 CarbonylContact C-O 3.54Å; H48-K74 WeakPolarHBondContact CA-O 3.27Å; H48-K74 HydrophobicContact CB-CB 4.41Å; V49-K74 PolarHBondContact N-O 2.82Å; K74-D76 WeakPolarHBondContact CE-OD1 3.47Å; K74-D76 VanDerWaalsContact CE-OD2 3.24Å; K74-D76 WeakPolarHBondContact CE-OD2 3.4Å; K74-D76 VanDerWaalsContact NZ-CG 3.35Å; K74-D76 IonicContact NZ-OD1 3.14Å; K74-D76 PolarHBondContact NZ-OD1 3.07Å; K74-D76 IonicContact NZ-OD2 2.63Å; K74-D76 PolarHBondContact NZ-OD2 3.02Å
75I96.1Very high91.7Very high6 Ų663 Ų633%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-126.5103.8173.6-56.2173.3000108.9I38 V49 L51 I64 E67 E68 I73I38-I75 HydrophobicContact CD1-CD1 4.35Å; I38-I75 HydrophobicContact CG2-CD1 4.36Å; V49-I75 HydrophobicContact CB-CG1 4.38Å; V49-I75 CarbonylContact O-C 3.52Å; V49-I75 VanDerWaalsContact O-CA 3.28Å; V49-I75 WeakPolarHBondContact O-CA 3.33Å; L51-I75 HydrophobicContact CD1-CG2 4.01Å; L51-I75 HydrophobicContact CG-CG2 3.94Å; I64-I75 HydrophobicContact CD1-CG2 3.97Å; I64-I75 HydrophobicContact CG1-CG2 4.04Å; I64-I75 HydrophobicContact CG2-CB 3.95Å; I64-I75 HydrophobicContact CG2-CG2 4.02Å; E67-I75 HydrophobicContact CB-CD1 4.24Å; E68-I75 HydrophobicContact CG-CB 3.73Å; E68-I75 HydrophobicContact CG-CD1 3.9Å; E68-I75 HydrophobicContact CG-CG1 3.73Å; E68-I75 PolarHBondContact OE1-N 2.99Å; I73-I75 HydrophobicContact CD1-CD1 4.37Å; I73-I75 HydrophobicContact CD1-CG1 4.08Å; I73-I75 HydrophobicContact CG1-CD1 4.47Å; I73-I75 HydrophobicContact CG1-CG1 4.11Å
76D94.3Very high91.8Very high37 Ų3757.8 Ų57.820%0.19834%0.337CS..EExtended strand (participates in β ladder)trans-91.8158.2170.7-77-36.8000110.6H48 V49 I50 L51 K74 L96H48-D76 IonicContact CD2-OD2 2.92Å; H48-D76 IonicContact CE1-OD2 3.87Å; H48-D76 PolarHBondContact CE1-OD2 3.06Å; H48-D76 IonicContact NE2-OD2 3.27Å; H48-D76 PolarHBondContact NE2-OD2 3.34Å; V49-D76 PolarHBondContact O-N 2.78Å; I50-D76 CarbonylContact C-O 3.55Å; I50-D76 WeakPolarHBondContact CA-O 3.32Å; L51-D76 PolarHBondContact N-O 2.85Å; K74-D76 WeakPolarHBondContact CE-OD1 3.47Å; K74-D76 VanDerWaalsContact CE-OD2 3.24Å; K74-D76 WeakPolarHBondContact CE-OD2 3.4Å; K74-D76 VanDerWaalsContact NZ-CG 3.35Å; K74-D76 IonicContact NZ-OD1 3.14Å; K74-D76 PolarHBondContact NZ-OD1 3.07Å; K74-D76 IonicContact NZ-OD2 2.63Å; K74-D76 PolarHBondContact NZ-OD2 3.02Å; D76-L96 HydrophobicContact CB-CD1 4.1Å
77V92.9Very high92Very high10 Ų1054 Ų546%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-119.5122.9174.3178.20000109.2L51 V53 R56 M60 I64 V79L51-V77 HydrophobicContact CB-CG2 4.39Å; L51-V77 CarbonylContact O-C 3.5Å; L51-V77 WeakPolarHBondContact O-CA 3.47Å; V53-V77 HydrophobicContact CB-CG1 4.27Å; V53-V77 HydrophobicContact CG1-CG1 4.08Å; V53-V77 HydrophobicContact CG2-CG1 3.19Å; R56-V77 HydrophobicContact CG-CB 4.47Å; R56-V77 HydrophobicContact CG-CG1 3.75Å; R56-V77 PolarHBondContact NH2-O 2.69Å; M60-V77 HydrophobicContact CE-CB 4.29Å; M60-V77 HydrophobicContact CE-CG1 3.71Å; M60-V77 HydrophobicContact CE-CG2 3.59Å; M60-V77 HydrophobicContact SD-CG2 4.14Å; I64-V77 HydrophobicContact CD1-CG2 3.17Å; V77-V79 HydrophobicContact CG1-CG2 4Å
78S94.2Very high92.3Very high8 Ų853.6 Ų53.66%0.05632%0.318CS..EExtended strand (participates in β ladder)trans-97115.4170.9-174.20000108.3L51 A52 V53L51-S78 PolarHBondContact O-N 2.88Å; A52-S78 WeakPolarHBondContact CA-O 3.34Å; V53-S78 PolarHBondContact N-O 2.66Å
79V91.8Very high92.5Very high47 Ų4751 Ų5129%0.28531%0.306SS..EExtended strand (participates in β ladder)trans-96.6121.2-175.2-171.40000110.1V53 R56 V77 L92V53-V79 HydrophobicContact CG2-CG2 4.17Å; V53-V79 CarbonylContact O-C 3.59Å; V53-V79 VanDerWaalsContact O-CA 3.32Å; V53-V79 WeakPolarHBondContact O-CA 3.29Å; R56-V79 VanDerWaalsContact CD-CG2 3.44Å; R56-V79 HydrophobicContact CG-CG2 3.55Å; V77-V79 HydrophobicContact CG1-CG2 4Å; V79-L92 WeakPolarHBondContact O-CD2 3.35Å
80E89.1Confident92.8Very high11 Ų1146.9 Ų46.95%0.05127%0.273CS..  trans-84.9116.9170.9-64.1174.3-118.700110V53 L84 P89 L92V53-E80 PolarHBondContact O-N 2.69Å; E80-L84 HydrophobicContact CG-CD1 4.28Å; E80-L84 WeakPolarHBondContact OE2-CB 3.25Å; E80-L84 PolarHBondContact OE2-N 2.87Å; E80-P89 VanDerWaalsContact CD-CG 3.48Å; E80-P89 HydrophobicContact CG-CB 4.41Å; E80-P89 WeakPolarHBondContact OE1-CB 3.1Å; E80-P89 WeakPolarHBondContact OE1-CG 3.26Å; E80-L92 HydrophobicContact CB-CD2 4.39Å; E80-L92 HydrophobicContact CG-CD2 3.74Å
81D86.3Confident93.2Very high160 Ų16043.6 Ų43.686%0.85625%0.25SC*.SBendtrans-76.2-27.9174.9-64.9-44.6000112.2
82E88.7Confident93.4Very high147 Ų14743.4 Ų43.469%0.68725%0.249SC*.SBendtrans-132.1152177.5-62.4-173.4170.100109.8L84E82-L84 WeakPolarHBondContact O-CG 3.32Å; E82-L84 PolarHBondContact O-N 3.19Å; E82-L84 VanDerWaalsContact O-N 3.12Å
83P87.4Confident93.5Very high103 Ų10340 Ų4067%0.66921%0.214SC*.  trans-61.9115.1178.9-21.533000112.3
84L91.8Very high93.6Very high20 Ų2043.2 Ų43.211%0.10523%0.225CC..  trans-101.411.4-178.7-65.3180000114.4E80 E82 G88 L92 L187 P189 T190E80-L84 HydrophobicContact CG-CD1 4.28Å; E80-L84 WeakPolarHBondContact OE2-CB 3.25Å; E80-L84 PolarHBondContact OE2-N 2.87Å; E82-L84 WeakPolarHBondContact O-CG 3.32Å; E82-L84 PolarHBondContact O-N 3.19Å; E82-L84 VanDerWaalsContact O-N 3.12Å; L84-G88 WeakPolarHBondContact O-CA 3.33Å; L84-G88 PolarHBondContact O-N 3.18Å; L84-L92 HydrophobicContact CD1-CB 4.07Å; L84-L92 HydrophobicContact CD1-CD2 4.07Å; L84-L187 HydrophobicContact CD1-CD1 4.07Å; L84-P189 HydrophobicContact CD2-CG 4.47Å; L84-P189 WeakPolarHBondContact O-CA 3.49Å; L84-T190 PolarHBondContact O-N 2.94Å; L84-T190 VanDerWaalsContact O-N 3.13Å
85D92Very high93.6Very high88 Ų8844.3 Ų44.347%0.47123%0.231SC..THydrogen-bonded Turntrans59.5-153.6-174.4-156.6-9.5000111.2P89 S191D85-P89 WeakPolarHBondContact O-CD 3.39Å; D85-P89 VanDerWaalsContact O-CG 3.29Å; D85-P89 WeakPolarHBondContact O-CG 3.41Å; D85-S191 WeakPolarHBondContact OD2-CB 3.24Å
86T93.1Very high93.6Very high31 Ų3145.6 Ų45.619%0.1924%0.238CC..THydrogen-bonded Turntrans-87.3-25.9-17053.90000115.6T190 S191 I192 E193T86-T190 PolarHBondContact N-O 2.87Å; T86-S191 WeakPolarHBondContact OG1-CA 3.33Å; T86-I192 PolarHBondContact OG1-N 2.9Å; T86-E193 PolarHBondContact OG1-OE2 3.38Å
87A95.8Very high93.8Very high0 Ų043.9 Ų43.90%023%0.229CC..THydrogen-bonded Turntrans-98.3-31.417800000113.3P89 I90 A91 I185 T190 I192 I196A87-P89 VanDerWaalsContact C-N 3.31Å; A87-I90 WeakPolarHBondContact O-CA 3.32Å; A87-I90 WeakPolarHBondContact O-CB 3.3Å; A87-I90 PolarHBondContact O-N 3.5Å; A87-A91 PolarHBondContact O-N 2.89Å; A87-I185 HydrophobicContact CB-CD1 4.42Å; A87-I185 HydrophobicContact CB-CG2 3.82Å; A87-I185 WeakPolarHBondContact O-CG2 3.5Å; A87-T190 WeakPolarHBondContact CA-O 3.48Å; A87-T190 HydrophobicContact CB-CG2 3.9Å; A87-T190 VanDerWaalsContact CB-O 3.29Å; A87-T190 WeakPolarHBondContact CB-O 3.37Å; A87-T190 PolarHBondContact N-O 2.83Å; A87-I192 HydrophobicContact CB-CB 3.84Å; A87-I192 HydrophobicContact CB-CG1 4.4Å; A87-I196 HydrophobicContact CB-CG1 4.05Å
88G95.3Very high93.8Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-58.8-31.2-17900000115.4L84 I90 A91 L92 T190L84-G88 WeakPolarHBondContact O-CA 3.33Å; L84-G88 PolarHBondContact O-N 3.18Å; G88-I90 PolarHBondContact O-N 2.91Å; G88-A91 PolarHBondContact O-N 3.41Å; G88-A91 VanDerWaalsContact O-N 3.14Å; G88-L92 PolarHBondContact O-N 3.17Å; G88-T190 PolarHBondContact N-O 3.39Å
89P95.6Very high93.8Very high2 Ų253.2 Ų53.21%0.01328%0.278CS..Hα-helixtrans-64.2-28.8172.1-16.427.6000113.1L6 A52 E80 D85 A87 L92 A93L6-P89 HydrophobicContact CD2-CB 3.92Å; L6-P89 HydrophobicContact CD2-CG 3.96Å; A52-P89 HydrophobicContact CB-CB 3.65Å; E80-P89 VanDerWaalsContact CD-CG 3.48Å; E80-P89 HydrophobicContact CG-CB 4.41Å; E80-P89 WeakPolarHBondContact OE1-CB 3.1Å; E80-P89 WeakPolarHBondContact OE1-CG 3.26Å; D85-P89 WeakPolarHBondContact O-CD 3.39Å; D85-P89 VanDerWaalsContact O-CG 3.29Å; D85-P89 WeakPolarHBondContact O-CG 3.41Å; A87-P89 VanDerWaalsContact C-N 3.31Å; P89-L92 PolarHBondContact O-N 3.18Å; P89-A93 WeakPolarHBondContact O-CB 3.29Å; P89-A93 PolarHBondContact O-N 2.88Å
90I97.5Very high93.8Very high0 Ų052.8 Ų52.80%028%0.278CS..Hα-helixtrans-68-43.5173.9-51.6169.8000109.9L4 A87 G88 A93 R94 I97 F104 V106 L182 I185 I192L4-I90 HydrophobicContact CD2-CG1 4.28Å; A87-I90 WeakPolarHBondContact O-CA 3.32Å; A87-I90 WeakPolarHBondContact O-CB 3.3Å; A87-I90 PolarHBondContact O-N 3.5Å; G88-I90 PolarHBondContact O-N 2.91Å; I90-A93 PolarHBondContact O-N 2.97Å; I90-R94 PolarHBondContact O-N 2.9Å; I90-I97 HydrophobicContact CG2-CD1 4.07Å; I90-F104 HydrophobicContact CG2-CE2 4.01Å; I90-F104 HydrophobicContact CG2-CZ 3.99Å; I90-V106 HydrophobicContact CD1-CG1 3.96Å; I90-V106 HydrophobicContact CD1-CG2 4.12Å; I90-V106 HydrophobicContact CG1-CG1 4.32Å; I90-V106 HydrophobicContact CG1-CG2 4.39Å; I90-L182 HydrophobicContact CG2-CD2 3.59Å; I90-I185 HydrophobicContact CB-CD1 3.98Å; I90-I185 HydrophobicContact CD1-CD1 4.16Å; I90-I185 HydrophobicContact CG2-CD1 3.83Å; I90-I192 HydrophobicContact CD1-CD1 3.77Å
91A96.8Very high94.1Very high7 Ų757.3 Ų57.36%0.05831%0.311CS..Hα-helixtrans-65.4-39.2175.100000112.3A87 G88 R94 I185 L187A87-A91 PolarHBondContact O-N 2.89Å; G88-A91 PolarHBondContact O-N 3.41Å; G88-A91 VanDerWaalsContact O-N 3.14Å; A91-R94 WeakPolarHBondContact O-CB 3.28Å; A91-R94 PolarHBondContact O-N 2.83Å; A91-I185 HydrophobicContact CB-CB 4.28Å; A91-I185 HydrophobicContact CB-CG2 3.74Å; A91-L187 HydrophobicContact CB-CB 4.33Å; A91-L187 HydrophobicContact CB-CD1 4.17Å
92L96.6Very high94.6Very high45 Ų4553.2 Ų53.224%0.23629%0.286CS..Hα-helixtrans-62.2-44.1177.4-17865000111.4V79 E80 L84 G88 P89 R94 H95 L187V79-L92 WeakPolarHBondContact O-CD2 3.35Å; E80-L92 HydrophobicContact CB-CD2 4.39Å; E80-L92 HydrophobicContact CG-CD2 3.74Å; L84-L92 HydrophobicContact CD1-CB 4.07Å; L84-L92 HydrophobicContact CD1-CD2 4.07Å; G88-L92 PolarHBondContact O-N 3.17Å; P89-L92 PolarHBondContact O-N 3.18Å; L92-R94 PolarHBondContact O-N 2.75Å; L92-H95 PolarHBondContact O-ND1 2.91Å; L92-L187 HydrophobicContact CB-CD1 3.84Å; L92-L187 HydrophobicContact CD1-CD1 4.13Å
93A96.8Very high95.1Very high0 Ų047.1 Ų47.10%026%0.26CS..THydrogen-bonded Turntrans-78.44.1178.500000114.2L4 I50 P89 I90 H95 L96 I97L4-A93 HydrophobicContact CD1-CB 3.48Å; L4-A93 VanDerWaalsContact CD1-CB 3.48Å; I50-A93 HydrophobicContact CG2-CB 4.05Å; P89-A93 WeakPolarHBondContact O-CB 3.29Å; P89-A93 PolarHBondContact O-N 2.88Å; I90-A93 PolarHBondContact O-N 2.97Å; A93-H95 VanDerWaalsContact C-N 3.28Å; A93-H95 PolarHBondContact O-N 2.98Å; A93-H95 VanDerWaalsContact O-N 3.16Å; A93-L96 WeakPolarHBondContact O-CA 3.37Å; A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 3.11Å; A93-I97 HydrophobicContact CB-CD1 4.11Å; A93-I97 HydrophobicContact CB-CG1 4.46Å; A93-I97 WeakPolarHBondContact O-CG1 3.29Å; A93-I97 PolarHBondContact O-N 3.38Å
94R97.1Very high95.6Very high84 Ų8442.4 Ų42.432%0.31723%0.228SC..Hα-helixtrans-48.2-47.4-176.2176179.9-71.5165.11.9112.9I90 A91 L92 L96 I97 E98 L182 I185I90-R94 PolarHBondContact O-N 2.9Å; A91-R94 WeakPolarHBondContact O-CB 3.28Å; A91-R94 PolarHBondContact O-N 2.83Å; L92-R94 PolarHBondContact O-N 2.75Å; R94-L96 PolarHBondContact O-N 3.15Å; R94-I97 PolarHBondContact O-N 2.99Å; R94-E98 VanDerWaalsContact CD-OE1 3.27Å; R94-E98 WeakPolarHBondContact CD-OE1 3.17Å; R94-E98 HydrophobicContact CG-CG 3.84Å; R94-E98 VanDerWaalsContact CG-OE1 3.27Å; R94-E98 WeakPolarHBondContact CG-OE1 3.1Å; R94-E98 VanDerWaalsContact CG-OE2 3.28Å; R94-E98 WeakPolarHBondContact CG-OE2 3.14Å; R94-E98 IonicContact NE-OE1 3.1Å; R94-E98 WeakPolarHBondContact O-CB 3.05Å; R94-E98 PolarHBondContact O-N 3.13Å; R94-L182 HydrophobicContact CG-CD1 4.27Å; R94-L182 PolarHBondContact NH2-O 2.84Å; R94-I185 PolarHBondContact NH2-O 3.04Å
95H96.4Very high95.9Very high125 Ų12541.4 Ų41.458%0.57922%0.223SC*.Hα-helixtrans-61.7-24.9-179.368.7-78.3000113.9L92 A93 T99L92-H95 PolarHBondContact O-ND1 2.91Å; A93-H95 VanDerWaalsContact C-N 3.28Å; A93-H95 PolarHBondContact O-N 2.98Å; A93-H95 VanDerWaalsContact O-N 3.16Å; H95-T99 WeakPolarHBondContact O-CG2 3.46Å
96L96.9Very high96.2Very high32 Ų3237.2 Ų37.217%0.16820%0.201CC..Hα-helixtrans-85.1-34.8172.9-60.4174.9000111.4K2 I50 D76 A93 R94K2-L96 PolarHBondContact NZ-O 3.01Å; I50-L96 HydrophobicContact CD1-CB 3.62Å; I50-L96 HydrophobicContact CD1-CD1 4.42Å; I50-L96 HydrophobicContact CG1-CB 4.21Å; I50-L96 HydrophobicContact CG1-CD1 4.24Å; I50-L96 HydrophobicContact CG2-CD1 4.03Å; D76-L96 HydrophobicContact CB-CD1 4.1Å; A93-L96 WeakPolarHBondContact O-CA 3.37Å; A93-L96 WeakPolarHBondContact O-CB 3.47Å; A93-L96 PolarHBondContact O-N 3.11Å; R94-L96 PolarHBondContact O-N 3.15Å
97I97.3Very high96.5Very high2 Ų235.8 Ų35.81%0.0119%0.192CC..Hα-helixtrans-73.6-47.3-178-61.5164.2000110.9K2 L4 I50 I90 A93 R94 T99 S100 F104 T179 L182K2-I97 PolarHBondContact NZ-O 3.26Å; L4-I97 HydrophobicContact CD1-CD1 4Å; I50-I97 HydrophobicContact CD1-CG1 3.77Å; I90-I97 HydrophobicContact CG2-CD1 4.07Å; A93-I97 HydrophobicContact CB-CD1 4.11Å; A93-I97 HydrophobicContact CB-CG1 4.46Å; A93-I97 WeakPolarHBondContact O-CG1 3.29Å; A93-I97 PolarHBondContact O-N 3.38Å; R94-I97 PolarHBondContact O-N 2.99Å; I97-T99 PolarHBondContact O-N 2.94Å; I97-S100 PolarHBondContact O-N 3.26Å; I97-F104 HydrophobicContact CD1-CD2 4.25Å; I97-F104 HydrophobicContact CD1-CE2 3.83Å; I97-F104 HydrophobicContact CD1-CZ 4.25Å; I97-F104 HydrophobicContact CG1-CD2 4.48Å; I97-F104 HydrophobicContact CG2-CB 4.37Å; I97-F104 HydrophobicContact CG2-CD1 3.6Å; I97-F104 HydrophobicContact CG2-CD2 4.02Å; I97-F104 HydrophobicContact CG2-CE1 3.82Å; I97-F104 HydrophobicContact CG2-CE2 4.19Å; I97-F104 HydrophobicContact CG2-CG 3.73Å; I97-F104 HydrophobicContact CG2-CZ 4.11Å; I97-T179 HydrophobicContact CG2-CG2 4.32Å; I97-L182 HydrophobicContact CB-CD1 4.26Å; I97-L182 HydrophobicContact CD1-CD2 4.15Å; I97-L182 HydrophobicContact CG2-CD1 3.88Å
98E94.5Very high96.5Very high104 Ų10437.6 Ų37.649%0.48620%0.202SC..THydrogen-bonded Turntrans-71.8-2.1-170.9-71.7-179.5164.600115.3R94 S100 L182R94-E98 VanDerWaalsContact CD-OE1 3.27Å; R94-E98 WeakPolarHBondContact CD-OE1 3.17Å; R94-E98 HydrophobicContact CG-CG 3.84Å; R94-E98 VanDerWaalsContact CG-OE1 3.27Å; R94-E98 WeakPolarHBondContact CG-OE1 3.1Å; R94-E98 VanDerWaalsContact CG-OE2 3.28Å; R94-E98 WeakPolarHBondContact CG-OE2 3.14Å; R94-E98 IonicContact NE-OE1 3.1Å; R94-E98 WeakPolarHBondContact O-CB 3.05Å; R94-E98 PolarHBondContact O-N 3.13Å; E98-S100 PolarHBondContact O-N 3.49Å; E98-S100 VanDerWaalsContact O-N 3.09Å; E98-L182 HydrophobicContact CG-CD1 3.46Å; E98-L182 VanDerWaalsContact CG-CD1 3.46Å
99T93Very high96.4Very high109 Ų10937.8 Ų37.867%0.66920%0.203SC*.THydrogen-bonded Turntrans-69.6-2.7173.4780000113.5K2 H95 I97K2-T99 PolarHBondContact NZ-OG1 3.14Å; H95-T99 WeakPolarHBondContact O-CG2 3.46Å; I97-T99 PolarHBondContact O-N 2.94Å
100S92.5Very high96.4Very high39 Ų3938.5 Ų38.527%0.27321%0.207SC..SBendtrans-138.4150.3169.7177.30000109.3I97 E98 E102I97-S100 PolarHBondContact O-N 3.26Å; E98-S100 PolarHBondContact O-N 3.49Å; E98-S100 VanDerWaalsContact O-N 3.09Å; S100-E102 PolarHBondContact OG-N 2.92Å
101S94.6Very high96.3Very high106 Ų10638.6 Ų38.674%0.74121%0.207SC*.  trans-89.9-3.3172.457.90000113.6
102E97.1Very high96.3Very high74 Ų7438.2 Ų38.235%0.34620%0.204SC..SBendtrans-62.9150.8176.2-67.7-165.9108.700111.8M1 S100M1-E102 WeakPolarHBondContact CA-OE2 3.2Å; M1-E102 PolarHBondContact N-OE2 2.8Å; S100-E102 PolarHBondContact OG-N 2.92Å
103P98.2Very high96.4Very high19 Ų1936.2 Ų36.212%0.12319%0.194CC..  trans-56.6151167.5-15.526.3000110.7M1 L176 L177 N178M1-P103 WeakPolarHBondContact CG-O 3.24Å; P103-L176 HydrophobicContact CB-CD1 3.81Å; P103-L176 HydrophobicContact CB-CG 4.09Å; P103-L177 CarbonylContact C-O 3.55Å; P103-L177 VanDerWaalsContact CA-O 3.25Å; P103-L177 WeakPolarHBondContact CA-O 3.26Å; P103-N178 WeakPolarHBondContact CG-OD1 3.2Å
104F98.7Very high96.3Very high3 Ų339.3 Ų39.31%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-129.4145.3-179.669.1-77.2000111K2 I90 I97 V106 L176 L177 T179 L182K2-F104 HydrophobicContact CB-CB 4.11Å; K2-F104 CarbonylContact O-C 3.59Å; K2-F104 VanDerWaalsContact O-CA 3.29Å; K2-F104 WeakPolarHBondContact O-CA 3.44Å; I90-F104 HydrophobicContact CG2-CE2 4.01Å; I90-F104 HydrophobicContact CG2-CZ 3.99Å; I97-F104 HydrophobicContact CD1-CD2 4.25Å; I97-F104 HydrophobicContact CD1-CE2 3.83Å; I97-F104 HydrophobicContact CD1-CZ 4.25Å; I97-F104 HydrophobicContact CG1-CD2 4.48Å; I97-F104 HydrophobicContact CG2-CB 4.37Å; I97-F104 HydrophobicContact CG2-CD1 3.6Å; I97-F104 HydrophobicContact CG2-CD2 4.02Å; I97-F104 HydrophobicContact CG2-CE1 3.82Å; I97-F104 HydrophobicContact CG2-CE2 4.19Å; I97-F104 HydrophobicContact CG2-CG 3.73Å; I97-F104 HydrophobicContact CG2-CZ 4.11Å; F104-V106 HydrophobicContact CD2-CG2 3.82Å; F104-V106 HydrophobicContact CE2-CG2 3.34Å; F104-V106 HydrophobicContact CZ-CG2 4.26Å; F104-L176 WeakPolarHBondContact O-CD1 3.28Å; F104-L177 WeakPolarHBondContact CD1-O 3.33Å; F104-L177 HydrophobicContact CE1-CB 3.99Å; F104-L177 HydrophobicContact CZ-CB 4.11Å; F104-L177 HydrophobicContact CZ-CD1 4.39Å; F104-L177 PolarHBondContact N-O 3.35Å; F104-L177 PolarHBondContact O-N 2.83Å; F104-T179 HydrophobicContact CD1-CG2 4.28Å; F104-L182 HydrophobicContact CE1-CD2 4.29Å; F104-L182 HydrophobicContact CE1-CG 4.36Å; F104-L182 HydrophobicContact CZ-CD2 3.84Å; F104-L182 HydrophobicContact CZ-CG 4.39Å
105F98.8Very high96.3Very high0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-76.5147.2175-77.2-80.4000111.4M1 K2 A3 L4 L41 V46 L107 F117 I120 I121 I174 Y175 L176M1-F105 HydrophobicContact SD-CD2 4.25Å; M1-F105 HydrophobicContact SD-CE2 3.92Å; K2-F105 PolarHBondContact O-N 3.47Å; A3-F105 CarbonylContact C-O 3.53Å; A3-F105 WeakPolarHBondContact CA-O 3.33Å; A3-F105 HydrophobicContact CB-CB 3.81Å; L4-F105 PolarHBondContact N-O 3.4Å; L41-F105 HydrophobicContact CD2-CB 4.13Å; L41-F105 HydrophobicContact CD2-CD2 3.73Å; L41-F105 HydrophobicContact CD2-CE2 4.27Å; L41-F105 HydrophobicContact CD2-CG 3.92Å; V46-F105 HydrophobicContact CG2-CD2 4.04Å; V46-F105 HydrophobicContact CG2-CE2 4.31Å; F105-L107 HydrophobicContact CB-CD1 3.73Å; F105-F117 HydrophobicContact CD1-CD1 4.05Å; F105-F117 HydrophobicContact CD1-CE1 4.3Å; F105-F117 HydrophobicContact CE1-CB 4.45Å; F105-F117 AromaticContact CE1-CD1 3.51Å; F105-F117 HydrophobicContact CE1-CD1 3.51Å; F105-F117 HydrophobicContact CE1-CE1 4.18Å; F105-F117 HydrophobicContact CE1-CG 4.31Å; F105-F117 HydrophobicContact CE2-CB 4.22Å; F105-F117 HydrophobicContact CE2-CD1 4.36Å; F105-F117 HydrophobicContact CE2-CG 4.45Å; F105-F117 HydrophobicContact CZ-CB 3.76Å; F105-F117 AromaticContact CZ-CD1 3.68Å; F105-F117 HydrophobicContact CZ-CD1 3.68Å; F105-F117 HydrophobicContact CZ-CG 4.02Å; F105-I120 HydrophobicContact CE1-CB 4.28Å; F105-I120 HydrophobicContact CE1-CG2 3.82Å; F105-I120 HydrophobicContact CZ-CB 4.46Å; F105-I120 HydrophobicContact CZ-CG2 4.31Å; F105-I121 HydrophobicContact CE2-CD1 3.97Å; F105-I121 HydrophobicContact CE2-CG1 3.86Å; F105-I121 HydrophobicContact CZ-CD1 4.21Å; F105-I121 HydrophobicContact CZ-CG1 3.78Å; F105-I174 HydrophobicContact CD1-CG2 4.45Å; F105-Y175 CarbonylContact C-O 3.55Å; F105-Y175 VanDerWaalsContact CA-O 3.24Å; F105-Y175 WeakPolarHBondContact CA-O 3.35Å; F105-Y175 WeakPolarHBondContact CD1-O 3.4Å; F105-L176 HydrophobicContact CD1-CB 4.17Å; F105-L176 HydrophobicContact CD1-CD1 4.12Å; F105-L176 HydrophobicContact CD2-CD1 4.03Å; F105-L176 HydrophobicContact CE1-CB 4.04Å; F105-L176 HydrophobicContact CE1-CD1 4.18Å; F105-L176 HydrophobicContact CE1-CD2 4.35Å; F105-L176 HydrophobicContact CE1-CG 4.44Å; F105-L176 HydrophobicContact CE2-CD1 4.1Å; F105-L176 HydrophobicContact CG-CD1 4.05Å; F105-L176 HydrophobicContact CZ-CD1 4.18Å; F105-L176 HydrophobicContact CZ-CD2 4.18Å
106V98.6Very high96.3Very high0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-126.3131163179.40000108L4 L6 I90 F104 Y175 L177L4-V106 HydrophobicContact CB-CG2 4.44Å; L4-V106 HydrophobicContact CD2-CG1 4.23Å; L4-V106 CarbonylContact O-C 3.57Å; L4-V106 VanDerWaalsContact O-CA 3.24Å; L4-V106 WeakPolarHBondContact O-CA 3.49Å; L6-V106 HydrophobicContact CD1-CG1 4.06Å; L6-V106 HydrophobicContact CG-CG1 4.16Å; I90-V106 HydrophobicContact CD1-CG1 3.96Å; I90-V106 HydrophobicContact CD1-CG2 4.12Å; I90-V106 HydrophobicContact CG1-CG1 4.32Å; I90-V106 HydrophobicContact CG1-CG2 4.39Å; F104-V106 HydrophobicContact CD2-CG2 3.82Å; F104-V106 HydrophobicContact CE2-CG2 3.34Å; F104-V106 HydrophobicContact CZ-CG2 4.26Å; V106-Y175 HydrophobicContact CB-CD2 3.77Å; V106-Y175 HydrophobicContact CG1-CD2 3.81Å; V106-Y175 HydrophobicContact CG1-CE2 4.31Å; V106-Y175 PolarHBondContact N-O 2.95Å; V106-Y175 WeakPolarHBondContact O-CD2 3.4Å; V106-Y175 PolarHBondContact O-N 3.29Å; V106-L177 HydrophobicContact CG2-CD1 4.03Å
107L98.2Very high96.4Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-134.3142.1-175-53.494.5000112.2A3 L4 I5 L6 Q37 L41 F105 F117 G173 I174A3-L107 HydrophobicContact CB-CD1 4.13Å; L4-L107 PolarHBondContact O-N 2.85Å; I5-L107 CarbonylContact C-O 3.52Å; I5-L107 WeakPolarHBondContact CA-O 3.46Å; I5-L107 HydrophobicContact CG1-CB 4.47Å; I5-L107 HydrophobicContact CG1-CD1 4.07Å; L6-L107 WeakPolarHBondContact CB-O 3.42Å; L6-L107 PolarHBondContact N-O 2.92Å; Q37-L107 HydrophobicContact CB-CD2 4.44Å; Q37-L107 HydrophobicContact CG-CD2 4.48Å; L41-L107 HydrophobicContact CD1-CD1 3.96Å; L41-L107 HydrophobicContact CD1-CD2 4.48Å; L41-L107 HydrophobicContact CD2-CD1 4.29Å; F105-L107 HydrophobicContact CB-CD1 3.73Å; L107-F117 HydrophobicContact CD2-CE1 3.75Å; L107-F117 HydrophobicContact CD2-CZ 3.5Å; L107-G173 CarbonylContact C-O 3.47Å; L107-G173 WeakPolarHBondContact CA-O 3.39Å; L107-I174 HydrophobicContact CD2-CG1 4.43Å; L107-I174 HydrophobicContact CD2-CG2 4.38Å
108N95.7Very high96.4Very high39 Ų3934 Ų3421%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-75.3128.7162.9-68.2-2.5000109.2Q37 D110 V111 G173Q37-N108 PolarHBondContact NE2-O 3.03Å; N108-D110 PolarHBondContact O-N 2.97Å; N108-D110 VanDerWaalsContact O-N 3.1Å; N108-V111 HydrophobicContact CB-CG2 3.92Å; N108-V111 PolarHBondContact O-N 2.85Å; N108-G173 PolarHBondContact N-O 2.76Å
109S94.1Very high96.6Very high4 Ų433.2 Ų33.23%0.02820%0.195CC..THydrogen-bonded Turntrans-64.7-14.5-174.554.90000115.9L6L6-S109 WeakPolarHBondContact O-CB 3.23Å; L6-S109 PolarHBondContact O-N 3.34Å; L6-S109 PolarHBondContact O-OG 3.2Å
110D94.2Very high96.9Very high16 Ų1628 Ų289%0.08616%0.163CC..THydrogen-bonded Turntrans-104.712.8-176.954.6-3.7000115.2R13 K23 M33 N108 D217 V218R13-D110 IonicContact NH2-OD2 3.63Å; K23-D110 IonicContact NZ-OD2 3.48Å; K23-D110 PolarHBondContact NZ-OD2 3.45Å; M33-D110 HydrophobicContact SD-CB 4.13Å; N108-D110 PolarHBondContact O-N 2.97Å; N108-D110 VanDerWaalsContact O-N 3.1Å; D110-D217 CarbonylContact O-C 3.52Å; D110-D217 WeakPolarHBondContact O-CA 3.3Å; D110-V218 WeakPolarHBondContact O-CG2 3.27Å; D110-V218 PolarHBondContact O-N 3Å
111V96.2Very high97.2Very high2 Ų226.9 Ų26.91%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-87.9130.9174.7172.80000110Q37 N108 F115 A172 I174Q37-V111 PolarHBondContact NE2-O 2.76Å; N108-V111 HydrophobicContact CB-CG2 3.92Å; N108-V111 PolarHBondContact O-N 2.85Å; V111-F115 WeakPolarHBondContact O-CZ 3.36Å; V111-A172 VanDerWaalsContact CG2-O 3.26Å; V111-A172 WeakPolarHBondContact CG2-O 3.36Å; V111-I174 HydrophobicContact CG1-CD1 4.05Å; V111-I174 HydrophobicContact CG1-CG1 4.24Å
112I97.4Very high97.4Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-120.4127.2168.4-56.4-66.2000109.4F28 H36 F214 W215 M216 V218 Y231F28-I112 HydrophobicContact CD1-CD1 3.88Å; F28-I112 HydrophobicContact CD1-CG1 3.95Å; F28-I112 HydrophobicContact CD1-CG2 4.38Å; F28-I112 HydrophobicContact CE1-CB 4.26Å; F28-I112 HydrophobicContact CE1-CD1 4.18Å; F28-I112 HydrophobicContact CE1-CG1 3.83Å; F28-I112 HydrophobicContact CE1-CG2 3.67Å; F28-I112 HydrophobicContact CG-CD1 4.39Å; F28-I112 HydrophobicContact CG-CG1 4.36Å; F28-I112 HydrophobicContact CZ-CB 4.46Å; F28-I112 HydrophobicContact CZ-CG1 4.12Å; F28-I112 HydrophobicContact CZ-CG2 4.17Å; H36-I112 HydrophobicContact CB-CD1 4.15Å; I112-F214 HydrophobicContact CB-CE2 4.5Å; I112-F214 HydrophobicContact CG2-CE2 3.75Å; I112-F214 HydrophobicContact CG2-CZ 3.95Å; I112-W215 WeakPolarHBondContact O-CA 3.45Å; I112-M216 PolarHBondContact N-O 2.63Å; I112-M216 PolarHBondContact O-N 2.84Å; I112-V218 HydrophobicContact CB-CG1 4.38Å; I112-V218 HydrophobicContact CG1-CG1 3.9Å; I112-V218 HydrophobicContact CG1-CG2 3.77Å; I112-Y231 HydrophobicContact CG2-CD2 4Å
113C97.5Very high97.5Very high3 Ų326.5 Ų26.52%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-157.4-166.7170.564.30000109.6F115 L211 F214C113-F115 VanDerWaalsContact C-N 3.25Å; C113-F115 WeakPolarHBondContact O-CD2 3.45Å; C113-F115 WeakPolarHBondContact O-CE2 3.32Å; C113-F115 PolarHBondContact O-N 3.46Å; C113-F115 WeakPolarHBondContact SG-CD1 3.13Å; C113-F115 PolarHBondContact SG-N 3.25Å; C113-F115 VanDerWaalsContact SG-N 3.4Å; C113-L211 HydrophobicContact CB-CD2 3.82Å; C113-F214 WeakPolarHBondContact CB-O 3.4Å
114D94.7Very high97.5Very high65 Ų6525.8 Ų25.835%0.34813%0.132SC..  trans-77.9-9.2176.2-72.3-7.5000113.9F214 H234D114-F214 WeakPolarHBondContact OD1-CE1 3.28Å; D114-H234 IonicContact OD1-CD2 2.97Å; D114-H234 IonicContact OD1-CE1 2.65Å; D114-H234 PolarHBondContact OD1-CE1 3.21Å; D114-H234 IonicContact OD1-CG 2.69Å; D114-H234 VanDerWaalsContact OD1-CG 3.27Å; D114-H234 IonicContact OD1-ND1 3.91Å; D114-H234 PolarHBondContact OD1-ND1 2.56Å; D114-H234 IonicContact OD1-NE2 3.19Å; D114-H234 PolarHBondContact OD1-NE2 2.66Å; D114-H234 IonicContact OD2-CE1 3.23Å; D114-H234 PolarHBondContact OD2-CE1 3.14Å; D114-H234 IonicContact OD2-ND1 2.78Å; D114-H234 PolarHBondContact OD2-ND1 3.21Å
115F97Very high97.4Very high18 Ų1832.9 Ų32.98%0.07916%0.159CC..  trans50.168.8178-56.2-67.6000114.4H36 Q37 A40 V111 C113 F117 I174H36-F115 HydrophobicContact CB-CE2 4.05Å; Q37-F115 HydrophobicContact CG-CE1 3.71Å; Q37-F115 HydrophobicContact CG-CE2 4.41Å; Q37-F115 HydrophobicContact CG-CZ 3.59Å; A40-F115 HydrophobicContact CB-CB 3.62Å; A40-F115 HydrophobicContact CB-CD2 4Å; A40-F115 HydrophobicContact CB-CG 4.04Å; V111-F115 WeakPolarHBondContact O-CZ 3.36Å; C113-F115 VanDerWaalsContact C-N 3.25Å; C113-F115 WeakPolarHBondContact O-CD2 3.45Å; C113-F115 WeakPolarHBondContact O-CE2 3.32Å; C113-F115 PolarHBondContact O-N 3.46Å; C113-F115 WeakPolarHBondContact SG-CD1 3.13Å; C113-F115 PolarHBondContact SG-N 3.25Å; C113-F115 VanDerWaalsContact SG-N 3.4Å; F115-F117 HydrophobicContact CB-CD2 3.97Å; F115-F117 HydrophobicContact CB-CE1 4.32Å; F115-F117 HydrophobicContact CB-CE2 3.55Å; F115-F117 HydrophobicContact CB-CZ 3.72Å; F115-F117 HydrophobicContact CD1-CE1 4.21Å; F115-F117 HydrophobicContact CD1-CE2 4.14Å; F115-F117 AromaticContact CD1-CZ 3.55Å; F115-F117 HydrophobicContact CD1-CZ 3.55Å; F115-F117 HydrophobicContact CE1-CZ 4.5Å; F115-F117 HydrophobicContact CG-CE2 4.03Å; F115-F117 AromaticContact CG-CZ 3.91Å; F115-F117 HydrophobicContact CG-CZ 3.91Å; F115-F117 PolarHBondContact O-N 2.65Å; F115-I174 HydrophobicContact CD1-CD1 4.06Å; F115-I174 HydrophobicContact CE1-CD1 4.26Å
116P97.5Very high97.4Very high17 Ų1739.1 Ų39.111%0.1119%0.188CC..  trans-77.453.9-179.235.4-37.6000112.1V118 D119 I120 F209 L211 P212P116-V118 VanDerWaalsContact C-N 3.27Å; P116-V118 PolarHBondContact O-N 2.96Å; P116-D119 HydrophobicContact CB-CB 4.3Å; P116-D119 PolarHBondContact O-N 2.76Å; P116-I120 HydrophobicContact CG-CD1 4.22Å; P116-I120 WeakPolarHBondContact O-CG1 3.41Å; P116-I120 PolarHBondContact O-N 3.17Å; P116-F209 HydrophobicContact CG-CE1 4.1Å; P116-L211 HydrophobicContact CG-CD1 3.71Å; P116-P212 HydrophobicContact CG-CG 4.38Å
117F98.6Very high97.4Very high3 Ų341.2 Ų41.21%0.01320%0.197CC..Hα-helixtrans-60.4-34.1-173-64.7-47000113.3A40 L41 A44 F105 L107 F115 D119 I120 I121 I174A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.57Å; L41-F117 HydrophobicContact CB-CD2 4.49Å; L41-F117 HydrophobicContact CB-CE2 4.26Å; L41-F117 HydrophobicContact CD2-CD1 4.22Å; L41-F117 HydrophobicContact CD2-CD2 3.77Å; L41-F117 HydrophobicContact CD2-CE1 4.04Å; L41-F117 HydrophobicContact CD2-CE2 3.54Å; L41-F117 HydrophobicContact CD2-CG 4.11Å; L41-F117 HydrophobicContact CD2-CZ 3.71Å; L41-F117 HydrophobicContact CG-CD2 4.02Å; L41-F117 HydrophobicContact CG-CE2 3.48Å; L41-F117 VanDerWaalsContact CG-CE2 3.48Å; L41-F117 HydrophobicContact CG-CZ 3.9Å; A44-F117 HydrophobicContact CB-CB 3.53Å; A44-F117 HydrophobicContact CB-CD2 4.44Å; A44-F117 HydrophobicContact CB-CG 4.47Å; F105-F117 HydrophobicContact CD1-CD1 4.05Å; F105-F117 HydrophobicContact CD1-CE1 4.3Å; F105-F117 HydrophobicContact CE1-CB 4.45Å; F105-F117 AromaticContact CE1-CD1 3.51Å; F105-F117 HydrophobicContact CE1-CD1 3.51Å; F105-F117 HydrophobicContact CE1-CE1 4.18Å; F105-F117 HydrophobicContact CE1-CG 4.31Å; F105-F117 HydrophobicContact CE2-CB 4.22Å; F105-F117 HydrophobicContact CE2-CD1 4.36Å; F105-F117 HydrophobicContact CE2-CG 4.45Å; F105-F117 HydrophobicContact CZ-CB 3.76Å; F105-F117 AromaticContact CZ-CD1 3.68Å; F105-F117 HydrophobicContact CZ-CD1 3.68Å; F105-F117 HydrophobicContact CZ-CG 4.02Å; L107-F117 HydrophobicContact CD2-CE1 3.75Å; L107-F117 HydrophobicContact CD2-CZ 3.5Å; F115-F117 HydrophobicContact CB-CD2 3.97Å; F115-F117 HydrophobicContact CB-CE1 4.32Å; F115-F117 HydrophobicContact CB-CE2 3.55Å; F115-F117 HydrophobicContact CB-CZ 3.72Å; F115-F117 HydrophobicContact CD1-CE1 4.21Å; F115-F117 HydrophobicContact CD1-CE2 4.14Å; F115-F117 AromaticContact CD1-CZ 3.55Å; F115-F117 HydrophobicContact CD1-CZ 3.55Å; F115-F117 HydrophobicContact CE1-CZ 4.5Å; F115-F117 HydrophobicContact CG-CE2 4.03Å; F115-F117 AromaticContact CG-CZ 3.91Å; F115-F117 HydrophobicContact CG-CZ 3.91Å; F115-F117 PolarHBondContact O-N 2.65Å; F117-D119 VanDerWaalsContact C-N 3.34Å; F117-D119 PolarHBondContact O-N 2.84Å; F117-I120 HydrophobicContact CD1-CD1 4.1Å; F117-I120 PolarHBondContact O-N 3.16Å; F117-I121 WeakPolarHBondContact O-CD1 3.38Å; F117-I121 WeakPolarHBondContact O-CG1 3.34Å; F117-I121 PolarHBondContact O-N 3.45Å; F117-I174 HydrophobicContact CE1-CG2 3.91Å
118V98.4Very high97.3Very high93 Ų9343.9 Ų43.956%0.56423%0.225SC*.Hα-helixtrans-61.7-43.5175.4177.30000111A44 P116 I121 K122A44-V118 HydrophobicContact CB-CG2 4.01Å; P116-V118 VanDerWaalsContact C-N 3.27Å; P116-V118 PolarHBondContact O-N 2.96Å; V118-I121 PolarHBondContact O-N 3.46Å; V118-K122 WeakPolarHBondContact O-CB 3.47Å; V118-K122 PolarHBondContact O-N 3.04Å
119D98.5Very high97.4Very high87 Ų8746.7 Ų46.747%0.46523%0.233SC..Hα-helixtrans-69.7-37.5177.9-60.4-46.3000111.4P116 F117 K122 Y123 F209P116-D119 HydrophobicContact CB-CB 4.3Å; P116-D119 PolarHBondContact O-N 2.76Å; F117-D119 VanDerWaalsContact C-N 3.34Å; F117-D119 PolarHBondContact O-N 2.84Å; D119-K122 PolarHBondContact O-N 2.89Å; D119-Y123 WeakPolarHBondContact O-CB 3.47Å; D119-Y123 PolarHBondContact O-N 2.77Å; D119-F209 HydrophobicContact CB-CE2 4.21Å; D119-F209 HydrophobicContact CB-CZ 3.95Å
120I98.7Very high97.6Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-63.4-44.5175-63.8161.4000110.7F105 P116 F117 K122 Y123 H124 T132 V134 I174 L176 F209F105-I120 HydrophobicContact CE1-CB 4.28Å; F105-I120 HydrophobicContact CE1-CG2 3.82Å; F105-I120 HydrophobicContact CZ-CB 4.46Å; F105-I120 HydrophobicContact CZ-CG2 4.31Å; P116-I120 HydrophobicContact CG-CD1 4.22Å; P116-I120 WeakPolarHBondContact O-CG1 3.41Å; P116-I120 PolarHBondContact O-N 3.17Å; F117-I120 HydrophobicContact CD1-CD1 4.1Å; F117-I120 PolarHBondContact O-N 3.16Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 PolarHBondContact O-N 3.28Å; I120-Y123 PolarHBondContact O-N 2.73Å; I120-H124 VanDerWaalsContact O-CB 3.28Å; I120-H124 WeakPolarHBondContact O-CB 3.28Å; I120-H124 PolarHBondContact O-N 2.91Å; I120-T132 HydrophobicContact CG2-CG2 4.33Å; I120-V134 HydrophobicContact CD1-CG2 3.64Å; I120-V134 HydrophobicContact CG1-CG2 4.11Å; I120-I174 HydrophobicContact CD1-CG2 4.3Å; I120-L176 HydrophobicContact CG2-CB 3.98Å; I120-L176 HydrophobicContact CG2-CD2 4.09Å; I120-F209 HydrophobicContact CG1-CD1 3.88Å; I120-F209 HydrophobicContact CG1-CD2 4.37Å; I120-F209 HydrophobicContact CG1-CE1 3.87Å; I120-F209 HydrophobicContact CG1-CE2 4.35Å; I120-F209 HydrophobicContact CG1-CG 4.13Å; I120-F209 HydrophobicContact CG1-CZ 4.11Å
121I98.6Very high97.8Very high16 Ų1646.7 Ų46.78%0.08223%0.232CC..Hα-helixtrans-60.4-45.8176.2-69.2160.1000110.6M1 A44 F105 F117 V118 H124 R125 L176M1-I121 HydrophobicContact CE-CD1 4.29Å; M1-I121 HydrophobicContact CE-CG1 4.14Å; M1-I121 HydrophobicContact CE-CG2 4.25Å; M1-I121 HydrophobicContact SD-CD1 3.69Å; M1-I121 HydrophobicContact SD-CG1 3.88Å; A44-I121 HydrophobicContact CB-CD1 4.39Å; F105-I121 HydrophobicContact CE2-CD1 3.97Å; F105-I121 HydrophobicContact CE2-CG1 3.86Å; F105-I121 HydrophobicContact CZ-CD1 4.21Å; F105-I121 HydrophobicContact CZ-CG1 3.78Å; F117-I121 WeakPolarHBondContact O-CD1 3.38Å; F117-I121 WeakPolarHBondContact O-CG1 3.34Å; F117-I121 PolarHBondContact O-N 3.45Å; V118-I121 PolarHBondContact O-N 3.46Å; I121-H124 PolarHBondContact O-N 3.29Å; I121-R125 WeakPolarHBondContact O-CG 3.44Å; I121-R125 PolarHBondContact O-N 3.45Å; I121-R125 VanDerWaalsContact O-N 3.12Å; I121-L176 HydrophobicContact CB-CD2 4.37Å; I121-L176 HydrophobicContact CG1-CD2 3.99Å
122K98.5Very high97.9Very high122 Ų12246.6 Ų46.653%0.5323%0.231SC..Hα-helixtrans-60.2-52.6178.6179.4-177.8168.6-173.60110.7V118 D119 I120 H124 R125 E126V118-K122 WeakPolarHBondContact O-CB 3.47Å; V118-K122 PolarHBondContact O-N 3.04Å; D119-K122 PolarHBondContact O-N 2.89Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 PolarHBondContact O-N 3.28Å; K122-H124 VanDerWaalsContact C-N 3.33Å; K122-H124 PolarHBondContact O-N 2.88Å; K122-R125 PolarHBondContact O-N 3.13Å; K122-E126 WeakPolarHBondContact CE-OE1 3.21Å; K122-E126 IonicContact NZ-OE1 3.25Å; K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 3.36Å
123Y98.6Very high98Very high50 Ų5046.6 Ų46.620%0.19623%0.231CC..Hα-helixtrans-58.1-44.1179.2178.6-106.8000112.3D119 I120 R125 E126 H127 T132 C207 A208 F209D119-Y123 WeakPolarHBondContact O-CB 3.47Å; D119-Y123 PolarHBondContact O-N 2.77Å; I120-Y123 PolarHBondContact O-N 2.73Å; Y123-R125 VanDerWaalsContact C-N 3.32Å; Y123-R125 PolarHBondContact O-N 3.15Å; Y123-E126 PolarHBondContact O-N 3.36Å; Y123-E126 VanDerWaalsContact O-N 3.13Å; Y123-H127 AromaticContact CD1-CD2 3.69Å; Y123-H127 AromaticContact CE1-CD2 3.59Å; Y123-H127 PolarHBondContact O-CD2 2.68Å; Y123-H127 PolarHBondContact O-N 3.2Å; Y123-H127 VanDerWaalsContact O-N 3.13Å; Y123-T132 HydrophobicContact CD1-CG2 3.81Å; Y123-T132 HydrophobicContact CE1-CG2 4Å; Y123-C207 HydrophobicContact CE1-CB 4.21Å; Y123-A208 WeakPolarHBondContact CE1-O 3.43Å; Y123-A208 PolarHBondContact OH-O 2.69Å; Y123-F209 HydrophobicContact CD1-CB 3.99Å; Y123-F209 AromaticContact CD1-CD2 3.68Å; Y123-F209 HydrophobicContact CD1-CD2 3.68Å; Y123-F209 HydrophobicContact CD1-CG 4.34Å; Y123-F209 HydrophobicContact CD2-CD2 4.42Å; Y123-F209 HydrophobicContact CE1-CB 4.04Å; Y123-F209 HydrophobicContact CE1-CD2 4.34Å; Y123-F209 AromaticContact CG-CD2 3.7Å; Y123-F209 HydrophobicContact CG-CD2 3.7Å; Y123-F209 HydrophobicContact CG-CE2 4.37Å
124H98.6Very high98Very high4 Ų446.4 Ų46.42%0.01923%0.23CC..Hα-helixtrans-58.2-44.3178.3-174.986.9000112.6I120 I121 K122 E126 H127 G128 T132 L176 N178I120-H124 VanDerWaalsContact O-CB 3.28Å; I120-H124 WeakPolarHBondContact O-CB 3.28Å; I120-H124 PolarHBondContact O-N 2.91Å; I121-H124 PolarHBondContact O-N 3.29Å; K122-H124 VanDerWaalsContact C-N 3.33Å; K122-H124 PolarHBondContact O-N 2.88Å; H124-E126 VanDerWaalsContact C-N 3.34Å; H124-H127 WeakPolarHBondContact CA-NE2 3.41Å; H124-H127 AromaticContact ND1-CE1 3.95Å; H124-H127 AromaticContact ND1-NE2 3.95Å; H124-G128 PolarHBondContact O-N 3.38Å; H124-G128 VanDerWaalsContact O-N 3.12Å; H124-T132 WeakPolarHBondContact CB-OG1 3.24Å; H124-T132 PolarHBondContact ND1-OG1 3.47Å; H124-L176 HydrophobicContact CB-CD2 3.51Å; H124-L176 HydrophobicContact CB-CG 4.2Å; H124-L176 PolarHBondContact CE1-O 2.94Å; H124-L176 VanDerWaalsContact CE1-O 3.25Å; H124-L176 PolarHBondContact ND1-O 2.97Å; H124-N178 PolarHBondContact NE2-OD1 2.9Å
125R97.9Very high98.2Very high151 Ų15143.3 Ų43.357%0.5721%0.214SC*.Hα-helixtrans-68.1-32.8177.2-70.8173.5176.6171.9-0.5112.6I121 K122 Y123I121-R125 WeakPolarHBondContact O-CG 3.44Å; I121-R125 PolarHBondContact O-N 3.45Å; I121-R125 VanDerWaalsContact O-N 3.12Å; K122-R125 PolarHBondContact O-N 3.13Å; Y123-R125 VanDerWaalsContact C-N 3.32Å; Y123-R125 PolarHBondContact O-N 3.15Å
126E98Very high98.3Very high131 Ų13143 Ų4361%0.61221%0.214SC*.Hα-helixtrans-69.5-42.9179.8-75.9173.5172.100112.5K122 Y123 H124K122-E126 WeakPolarHBondContact CE-OE1 3.21Å; K122-E126 IonicContact NZ-OE1 3.25Å; K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 3.36Å; Y123-E126 PolarHBondContact O-N 3.36Å; Y123-E126 VanDerWaalsContact O-N 3.13Å; H124-E126 VanDerWaalsContact C-N 3.34Å
127H97.6Very high98.2Very high44 Ų4450.9 Ų50.920%0.20424%0.241CC..Hα-helixtrans-83.2-23.4179.871.370000113.6Y123 H124 R129 T132Y123-H127 AromaticContact CD1-CD2 3.69Å; Y123-H127 AromaticContact CE1-CD2 3.59Å; Y123-H127 PolarHBondContact O-CD2 2.68Å; Y123-H127 PolarHBondContact O-N 3.2Å; Y123-H127 VanDerWaalsContact O-N 3.13Å; H124-H127 WeakPolarHBondContact CA-NE2 3.41Å; H124-H127 AromaticContact ND1-CE1 3.95Å; H124-H127 AromaticContact ND1-NE2 3.95Å; H127-R129 VanDerWaalsContact ND1-CB 3.33Å; H127-R129 WeakPolarHBondContact ND1-CB 3.49Å; H127-R129 PolarHBondContact ND1-N 3.14Å; H127-R129 PolarHBondContact O-N 3.25Å; H127-R129 VanDerWaalsContact O-N 3.14Å; H127-T132 PolarHBondContact NE2-OG1 2.99Å
128G96.1Very high97.9Very high57 Ų5752 Ų5259%0.58825%0.248SC*.  trans65.117.6171.100000116.1H124H124-G128 PolarHBondContact O-N 3.38Å; H124-G128 VanDerWaalsContact O-N 3.12Å
129R98.3Very high97.5Very high98 Ų9854.8 Ų54.837%0.3726%0.26SS..  trans-87.9168.3177.1-57.2-61-174.1160.33110.7H127 G131 N178 E205H127-R129 VanDerWaalsContact ND1-CB 3.33Å; H127-R129 WeakPolarHBondContact ND1-CB 3.49Å; H127-R129 PolarHBondContact ND1-N 3.14Å; H127-R129 PolarHBondContact O-N 3.25Å; H127-R129 VanDerWaalsContact O-N 3.14Å; R129-G131 VanDerWaalsContact C-N 3.31Å; R129-G131 PolarHBondContact O-N 3.3Å; R129-N178 PolarHBondContact O-ND2 2.93Å; R129-E205 WeakPolarHBondContact CA-OE2 3.29Å; R129-E205 IonicContact NH1-OE1 3.33Å; R129-E205 PolarHBondContact NH1-OE1 2.84Å
130E98.2Very high97Very high19 Ų1955.9 Ų55.99%0.08926%0.262CS..SBendtrans-62-31.4-177.3-167.5166.1-132.400115.2N178 S180 C181 R184 M200 E205E130-N178 HydrophobicContact CG-CB 4.3Å; E130-N178 PolarHBondContact O-N 2.8Å; E130-S180 WeakPolarHBondContact CG-OG 3.39Å; E130-S180 VanDerWaalsContact OE1-CB 3.31Å; E130-S180 WeakPolarHBondContact OE1-CB 3.35Å; E130-S180 PolarHBondContact OE1-OG 3.38Å; E130-C181 HydrophobicContact CG-CB 3.99Å; E130-C181 WeakPolarHBondContact OE1-CA 3.48Å; E130-C181 PolarHBondContact OE1-N 2.88Å; E130-C181 VanDerWaalsContact OE1-N 3.09Å; E130-R184 IonicContact OE1-NE 3.04Å; E130-R184 IonicContact OE2-CZ 3.21Å; E130-R184 IonicContact OE2-NE 2.67Å; E130-R184 PolarHBondContact OE2-NE 2.77Å; E130-R184 IonicContact OE2-NH2 3.92Å; E130-R184 PolarHBondContact OE2-NH2 2.91Å; E130-M200 HydrophobicContact CB-CE 3.88Å; E130-M200 HydrophobicContact CG-CE 3.87Å; E130-E205 HydrophobicContact CB-CB 3.85Å; E130-E205 HydrophobicContact CB-CG 4.4Å; E130-E205 PolarHBondContact N-O 3.21Å; E130-E205 PolarHBondContact N-OE2 3.4Å
131G98.7Very high96.4Very high0 Ų056.3 Ų56.30%027%0.265CS..EExtended strand (participates in β ladder)trans-145.6146.8-176.900000115R129 L176 E205 C207R129-G131 VanDerWaalsContact C-N 3.31Å; R129-G131 PolarHBondContact O-N 3.3Å; G131-L176 WeakPolarHBondContact CA-O 3.29Å; G131-E205 PolarHBondContact N-O 3.11Å; G131-C207 PolarHBondContact O-N 3.49Å
132T98.9Very high95.9Very high0 Ų058 Ų580%028%0.278CS..EExtended strand (participates in β ladder)trans-110.9126.2162.6-52.70000109.3I120 Y123 H124 H127 Y175 L176 C207 F209I120-T132 HydrophobicContact CG2-CG2 4.33Å; Y123-T132 HydrophobicContact CD1-CG2 3.81Å; Y123-T132 HydrophobicContact CE1-CG2 4Å; H124-T132 WeakPolarHBondContact CB-OG1 3.24Å; H124-T132 PolarHBondContact ND1-OG1 3.47Å; H127-T132 PolarHBondContact NE2-OG1 2.99Å; T132-Y175 VanDerWaalsContact O-CA 3.32Å; T132-Y175 WeakPolarHBondContact O-CA 3.43Å; T132-L176 PolarHBondContact N-O 2.83Å; T132-L176 PolarHBondContact O-N 3.06Å; T132-C207 CarbonylContact C-O 3.59Å; T132-C207 VanDerWaalsContact CA-O 3.27Å; T132-C207 WeakPolarHBondContact CA-O 3.46Å; T132-F209 HydrophobicContact CG2-CB 3.65Å
133I98.7Very high95.4Very high0 Ų057.6 Ų57.60%028%0.276CS..EExtended strand (participates in β ladder)trans-104.2125.4168.3-177.9160.8000109.7V147 V155 F158 N171 Y175 F197 L206 C207 A208 F209I133-V147 HydrophobicContact CD1-CG2 4.1Å; I133-V147 HydrophobicContact CG2-CG1 4.22Å; I133-V155 HydrophobicContact CG2-CG2 3.94Å; I133-F158 HydrophobicContact CD1-CD2 3.96Å; I133-F158 HydrophobicContact CD1-CE2 3.63Å; I133-N171 HydrophobicContact CD1-CB 4.25Å; I133-Y175 HydrophobicContact CB-CD1 4.36Å; I133-Y175 HydrophobicContact CD1-CD1 4.27Å; I133-Y175 HydrophobicContact CD1-CE1 3.98Å; I133-Y175 HydrophobicContact CG1-CD1 3.88Å; I133-Y175 HydrophobicContact CG1-CE1 3.95Å; I133-F197 HydrophobicContact CD1-CD2 4.02Å; I133-F197 HydrophobicContact CD1-CE2 3.95Å; I133-F197 HydrophobicContact CD1-CG 4.43Å; I133-F197 HydrophobicContact CD1-CZ 4.29Å; I133-L206 HydrophobicContact CB-CD1 4.11Å; I133-L206 HydrophobicContact CB-CD2 4.49Å; I133-L206 HydrophobicContact CB-CG 4.43Å; I133-L206 HydrophobicContact CG2-CD1 4.05Å; I133-L206 HydrophobicContact CG2-CD2 3.97Å; I133-L206 HydrophobicContact CG2-CG 3.85Å; I133-C207 PolarHBondContact N-O 2.93Å; I133-A208 HydrophobicContact CG2-CB 4.45Å; I133-A208 CarbonylContact O-C 3.51Å; I133-A208 VanDerWaalsContact O-CA 3.32Å; I133-A208 WeakPolarHBondContact O-CA 3.47Å; I133-F209 PolarHBondContact O-N 3.45Å
134V98.7Very high95.1Very high0 Ų057.5 Ų57.50%028%0.276CS..EExtended strand (participates in β ladder)trans-79.6134.4174.4-178.60000109.1I120 A172 I174 F209 L211I120-V134 HydrophobicContact CD1-CG2 3.64Å; I120-V134 HydrophobicContact CG1-CG2 4.11Å; V134-A172 HydrophobicContact CB-CB 4.23Å; V134-A172 HydrophobicContact CG1-CB 3.87Å; V134-A172 VanDerWaalsContact O-CB 3.29Å; V134-A172 WeakPolarHBondContact O-CB 3.16Å; V134-A172 PolarHBondContact O-N 2.67Å; V134-I174 HydrophobicContact CB-CB 3.92Å; V134-I174 HydrophobicContact CB-CG2 4.46Å; V134-I174 VanDerWaalsContact CB-O 3.28Å; V134-I174 WeakPolarHBondContact CB-O 3.39Å; V134-I174 HydrophobicContact CG2-CB 3.82Å; V134-I174 HydrophobicContact CG2-CG2 3.8Å; V134-I174 WeakPolarHBondContact CG2-O 3.48Å; V134-I174 PolarHBondContact N-O 3.28Å; V134-F209 CarbonylContact C-O 3.54Å; V134-F209 WeakPolarHBondContact CA-O 3.38Å; V134-F209 HydrophobicContact CG1-CD1 4.34Å; V134-F209 HydrophobicContact CG2-CB 4.46Å; V134-F209 HydrophobicContact CG2-CD1 4.42Å; V134-L211 HydrophobicContact CG1-CB 3.72Å; V134-L211 HydrophobicContact CG1-CD1 4.09Å; V134-L211 HydrophobicContact CG1-CD2 4.39Å; V134-L211 HydrophobicContact CG1-CG 4.29Å
135V98.5Very high94.9Very high0 Ų057.4 Ų57.40%028%0.276CS..EExtended strand (participates in β ladder)trans-123.6150.2-179.7-55.40000111.6V147 F149 K169 I170 A208 F209 V210 L211V135-V147 HydrophobicContact CG1-CB 3.7Å; V135-V147 HydrophobicContact CG1-CG1 3.94Å; V135-V147 HydrophobicContact CG1-CG2 3.68Å; V135-F149 HydrophobicContact CG2-CE1 3.94Å; V135-F149 HydrophobicContact CG2-CZ 4.21Å; V135-K169 HydrophobicContact CB-CB 4.49Å; V135-K169 HydrophobicContact CG2-CB 4.46Å; V135-I170 CarbonylContact C-O 3.56Å; V135-I170 WeakPolarHBondContact CA-O 3.38Å; V135-I170 WeakPolarHBondContact CB-O 3.31Å; V135-A208 HydrophobicContact CG1-CB 4.13Å; V135-A208 HydrophobicContact CG2-CB 4.36Å; V135-F209 PolarHBondContact N-O 2.88Å; V135-V210 HydrophobicContact CG2-CB 4.32Å; V135-V210 HydrophobicContact CG2-CG2 3.87Å; V135-L211 WeakPolarHBondContact O-CB 3.15Å; V135-L211 PolarHBondContact O-N 3.39Å
136T97.9Very high94.8Very high12 Ų1250.2 Ų50.27%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-130.8157.6172.1-1710000111.1V138 K169 I170 A172 W215T136-V138 HydrophobicContact CG2-CG1 4.27Å; T136-K169 CarbonylContact O-C 3.59Å; T136-K169 WeakPolarHBondContact O-CA 3.48Å; T136-I170 HydrophobicContact CG2-CD1 3.88Å; T136-I170 HydrophobicContact CG2-CG1 3.68Å; T136-I170 PolarHBondContact N-O 3.04Å; T136-I170 WeakPolarHBondContact O-CG1 3.2Å; T136-I170 PolarHBondContact O-N 2.92Å; T136-A172 HydrophobicContact CG2-CB 4.32Å; T136-W215 HydrophobicContact CG2-CB 4.15Å; T136-W215 HydrophobicContact CG2-CD2 3.57Å; T136-W215 HydrophobicContact CG2-CE3 3.68Å; T136-W215 HydrophobicContact CG2-CG 3.79Å; T136-W215 HydrophobicContact CG2-CZ3 4.28Å
137R95.9Very high94.8Very high181 Ų18144.2 Ų44.268%0.68322%0.221SC*.EExtended strand (participates in β ladder)trans-90.9129.5177.5-176.6176.8173169.20.3110.4N168R137-N168 CarbonylContact C-O 3.53Å; R137-N168 VanDerWaalsContact CA-O 3.29Å; R137-N168 WeakPolarHBondContact CA-O 3.4Å; R137-N168 HydrophobicContact CG-CB 4.35Å; R137-N168 PolarHBondContact NE-ND2 2.9Å; R137-N168 VanDerWaalsContact NE-ND2 3.18Å
138V93.2Very high94.8Very high26 Ų2644.1 Ų44.116%0.15822%0.224CC..  trans-131152.5175-61.60000111.1T136 P141 N168 I170 W215T136-V138 HydrophobicContact CG2-CG1 4.27Å; V138-P141 HydrophobicContact CG2-CB 4.1Å; V138-N168 PolarHBondContact N-O 2.83Å; V138-N168 WeakPolarHBondContact O-CB 3.4Å; V138-I170 HydrophobicContact CG1-CD1 3.76Å; V138-I170 HydrophobicContact CG1-CG1 3.89Å; V138-I170 HydrophobicContact CG2-CB 4.35Å; V138-I170 HydrophobicContact CG2-CD1 4.19Å; V138-I170 HydrophobicContact CG2-CG1 3.9Å; V138-I170 HydrophobicContact CG2-CG2 3.55Å; V138-W215 HydrophobicContact CG1-CZ3 4.49Å
139D88.5Confident94.9Very high152 Ų15243.1 Ų43.181%0.81320%0.203SC*.SBendtrans-74.4-34177-61-37.8000112.1P141D139-P141 WeakPolarHBondContact O-CD 3.44Å
140E87.9Confident94.8Very high110 Ų11041.2 Ų41.251%0.51420%0.201SC..  trans-120.792.5-177.6-179.150.2-109.100110.8S142E140-S142 WeakPolarHBondContact OE1-CB 3.21Å; E140-S142 PolarHBondContact OE1-N 3.27Å; E140-S142 PolarHBondContact OE1-OG 3.37Å
141P87.7Confident94.6Very high9 Ų950.3 Ų50.36%0.05824%0.243CC..  trans-84.3-11.6-172.533.1-36.1000114.6V138 D139 K143 Y144 V146 Y165 G167 I170V138-P141 HydrophobicContact CG2-CB 4.1Å; D139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-K143 PolarHBondContact O-N 2.97Å; P141-Y144 PolarHBondContact O-N 3.27Å; P141-V146 HydrophobicContact CB-CG2 3.87Å; P141-Y165 HydrophobicContact CG-CD2 4.15Å; P141-Y165 HydrophobicContact CG-CE2 4.18Å; P141-G167 WeakPolarHBondContact CB-O 3.5Å; P141-G167 WeakPolarHBondContact CG-O 3.1Å; P141-I170 HydrophobicContact CB-CG2 3.75Å
142S88Confident94.4Very high52 Ų5254.3 Ų54.336%0.36427%0.271SS..THydrogen-bonded Turntrans-57.1-19.9-169.256.60000115.7E140E140-S142 WeakPolarHBondContact OE1-CB 3.21Å; E140-S142 PolarHBondContact OE1-N 3.27Å; E140-S142 PolarHBondContact OE1-OG 3.37Å
143K86.9Confident94.3Very high114 Ų11454.6 Ų54.650%0.49627%0.274SS..THydrogen-bonded Turntrans-88.7-6.2-179.1-61.5178.2-173.3169.10114P141 K161P141-K143 PolarHBondContact O-N 2.97Å; K143-K161 VanDerWaalsContact O-CE 3.24Å; K143-K161 WeakPolarHBondContact O-CE 3.34Å
144Y92.5Very high94.3Very high47 Ų4755.9 Ų55.918%0.18428%0.282CS..SBendtrans-129.5166.7-168.4-52.5-79.5000111.6P141 K161 I170 W215P141-Y144 PolarHBondContact O-N 3.27Å; Y144-K161 WeakPolarHBondContact O-CA 3.42Å; Y144-K161 PolarHBondContact O-N 3.24Å; Y144-I170 HydrophobicContact CD1-CD1 3.82Å; Y144-I170 HydrophobicContact CD2-CD1 3.68Å; Y144-I170 HydrophobicContact CD2-CG2 4.31Å; Y144-I170 HydrophobicContact CE1-CD1 4.29Å; Y144-I170 HydrophobicContact CE2-CD1 4.16Å; Y144-I170 HydrophobicContact CG-CB 4.35Å; Y144-I170 HydrophobicContact CG-CD1 3.49Å; Y144-I170 VanDerWaalsContact CG-CD1 3.49Å; Y144-I170 HydrophobicContact CG-CG2 4.36Å; Y144-W215 HydrophobicContact CD1-CH2 4.29Å; Y144-W215 AromaticContact CE1-CH2 3.77Å; Y144-W215 HydrophobicContact CE1-CH2 3.77Å; Y144-W215 HydrophobicContact CE1-CZ3 4.41Å
145G94.5Very high94.3Very high3 Ų355.9 Ų55.93%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-73.9124.5167.500000110.9V159 E160 I170 N171G145-V159 CarbonylContact C-O 3.58Å; G145-V159 WeakPolarHBondContact CA-O 3.37Å; G145-E160 VanDerWaalsContact CA-OE2 3.31Å; G145-E160 WeakPolarHBondContact CA-OE2 3.47Å; G145-E160 PolarHBondContact N-OE2 2.89Å; G145-I170 CarbonylContact O-C 3.52Å; G145-I170 WeakPolarHBondContact O-CA 3.37Å; G145-N171 PolarHBondContact O-N 2.97Å
146V96.5Very high94.2Very high0 Ų061.9 Ų61.90%031%0.31CS..EExtended strand (participates in β ladder)trans-89.7135.3177.1177.50000109.5P141 V159 P162 V166 K169 I170P141-V146 HydrophobicContact CB-CG2 3.87Å; V146-V159 PolarHBondContact N-O 2.79Å; V146-V159 PolarHBondContact O-N 2.84Å; V146-P162 HydrophobicContact CB-CG 4.27Å; V146-P162 HydrophobicContact CG2-CG 3.63Å; V146-V166 HydrophobicContact CB-CB 4.48Å; V146-V166 HydrophobicContact CG1-CB 4.04Å; V146-V166 HydrophobicContact CG1-CG1 4.06Å; V146-K169 WeakPolarHBondContact CA-O 3.29Å; V146-I170 HydrophobicContact CG2-CG2 4.36Å
147V97.9Very high94.1Very high4 Ų467.1 Ų67.12%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-115.1117.1-178.2-170.30000109I133 V135 F149 V155 F158 K169 A208I133-V147 HydrophobicContact CD1-CG2 4.1Å; I133-V147 HydrophobicContact CG2-CG1 4.22Å; V135-V147 HydrophobicContact CG1-CB 3.7Å; V135-V147 HydrophobicContact CG1-CG1 3.94Å; V135-V147 HydrophobicContact CG1-CG2 3.68Å; V147-F149 HydrophobicContact CG1-CD1 4.16Å; V147-V155 HydrophobicContact CG1-CB 4.38Å; V147-V155 HydrophobicContact CG1-CG1 3.74Å; V147-V155 HydrophobicContact CG1-CG2 3.68Å; V147-F158 HydrophobicContact CG2-CD2 3.86Å; V147-F158 HydrophobicContact CG2-CE2 3.96Å; V147-K169 PolarHBondContact N-O 2.84Å; V147-A208 HydrophobicContact CG1-CB 4.33Å
148V97.4Very high94.1Very high42 Ų4259 Ų5926%0.25530%0.301SS..EExtended strand (participates in β ladder)trans-104126.8175.3-174.60000108V155 E156 K157 V166V148-V155 CarbonylContact O-C 3.58Å; V148-V155 WeakPolarHBondContact O-CA 3.48Å; V148-V155 WeakPolarHBondContact O-CG1 3.41Å; V148-E156 PolarHBondContact O-N 3.34Å; V148-K157 HydrophobicContact CB-CB 4.27Å; V148-K157 PolarHBondContact N-O 2.95Å; V148-K157 PolarHBondContact O-N 3.32Å; V148-K157 VanDerWaalsContact O-N 3.15Å; V148-V166 HydrophobicContact CG2-CG1 3.57Å
149F98Very high94.1Very high36 Ų3659.1 Ų59.116%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-146.4152.2-176.857.9-89000110.6V135 V147 V154 V155 K169 A208 V210V135-F149 HydrophobicContact CG2-CE1 3.94Å; V135-F149 HydrophobicContact CG2-CZ 4.21Å; V147-F149 HydrophobicContact CG1-CD1 4.16Å; F149-V154 CarbonylContact C-O 3.47Å; F149-V154 WeakPolarHBondContact CA-O 3.43Å; F149-V154 WeakPolarHBondContact CB-O 3.5Å; F149-V155 HydrophobicContact CB-CG2 4.28Å; F149-K169 HydrophobicContact CD1-CD 4.4Å; F149-K169 HydrophobicContact CE1-CB 4.3Å; F149-K169 HydrophobicContact CE1-CD 3.25Å; F149-K169 HydrophobicContact CE1-CG 4.42Å; F149-K169 HydrophobicContact CE2-CD 4.48Å; F149-K169 HydrophobicContact CZ-CD 3.32Å; F149-A208 HydrophobicContact CB-CB 4.12Å; F149-A208 HydrophobicContact CD1-CB 3.44Å; F149-A208 VanDerWaalsContact CD1-CB 3.44Å; F149-A208 HydrophobicContact CD2-CB 4.06Å; F149-A208 HydrophobicContact CE1-CB 3.65Å; F149-A208 HydrophobicContact CE2-CB 4.24Å; F149-A208 HydrophobicContact CG-CB 3.63Å; F149-A208 HydrophobicContact CZ-CB 4.02Å; F149-V210 HydrophobicContact CE2-CG2 4.28Å; F149-V210 HydrophobicContact CZ-CG2 3.67Å
150D95.9Very high94.4Very high59 Ų5954.1 Ų54.132%0.31627%0.274SS..  trans-78.5-177.4-177.970.715.5000112.8S152 G153 V154 E156D150-S152 VanDerWaalsContact CG-OG 3.26Å; D150-S152 PolarHBondContact O-N 3.43Å; D150-S152 VanDerWaalsContact OD1-CA 3.3Å; D150-S152 WeakPolarHBondContact OD1-CA 3.18Å; D150-S152 WeakPolarHBondContact OD1-CB 3.26Å; D150-S152 PolarHBondContact OD1-N 2.87Å; D150-S152 PolarHBondContact OD1-OG 3.4Å; D150-S152 PolarHBondContact OD2-OG 3.27Å; D150-G153 PolarHBondContact O-N 2.85Å; D150-G153 VanDerWaalsContact O-N 3.14Å; D150-G153 PolarHBondContact OD1-N 3.37Å; D150-V154 PolarHBondContact N-O 2.6Å; D150-V154 PolarHBondContact OD1-N 2.7Å; D150-E156 HydrophobicContact CB-CG 4.45Å
151E94.2Very high94.6Very high210 Ų21054 Ų5498%0.98127%0.271SS*.THydrogen-bonded Turntrans-66.1-21.7178.2-63.9-175171.300113.6G153E151-G153 VanDerWaalsContact C-N 3.3Å
152S94.2Very high94.6Very high83 Ų8354.2 Ų54.258%0.5827%0.273SS*.THydrogen-bonded Turntrans-81.2-12.3175.880.30000112.9D150 V154D150-S152 VanDerWaalsContact CG-OG 3.26Å; D150-S152 PolarHBondContact O-N 3.43Å; D150-S152 VanDerWaalsContact OD1-CA 3.3Å; D150-S152 WeakPolarHBondContact OD1-CA 3.18Å; D150-S152 WeakPolarHBondContact OD1-CB 3.26Å; D150-S152 PolarHBondContact OD1-N 2.87Å; D150-S152 PolarHBondContact OD1-OG 3.4Å; D150-S152 PolarHBondContact OD2-OG 3.27Å; S152-V154 WeakPolarHBondContact OG-CG2 3.34Å
153G96.7Very high94.6Very high6 Ų660.9 Ų60.96%0.06230%0.298CS..  trans93.3-0.2-177.600000114D150 E151 C207 A208D150-G153 PolarHBondContact O-N 2.85Å; D150-G153 VanDerWaalsContact O-N 3.14Å; D150-G153 PolarHBondContact OD1-N 3.37Å; E151-G153 VanDerWaalsContact C-N 3.3Å; G153-C207 CarbonylContact O-C 3.48Å; G153-C207 VanDerWaalsContact O-CA 3.25Å; G153-C207 WeakPolarHBondContact O-CA 3.29Å; G153-A208 PolarHBondContact O-N 2.79Å
154V98.4Very high94.8Very high28 Ų2863.3 Ų63.317%0.1731%0.311CS..BIsolated β-bridgetrans-73.8129.3178177.20000109.3F149 D150 S152 E156F149-V154 CarbonylContact C-O 3.47Å; F149-V154 WeakPolarHBondContact CA-O 3.43Å; F149-V154 WeakPolarHBondContact CB-O 3.5Å; D150-V154 PolarHBondContact N-O 2.6Å; D150-V154 PolarHBondContact OD1-N 2.7Å; S152-V154 WeakPolarHBondContact OG-CG2 3.34Å; V154-E156 PolarHBondContact O-N 3.1Å
155V98.6Very high94.6Very high0 Ų068.9 Ų68.90%033%0.333CS..EExtended strand (participates in β ladder)trans-74.6112.2-179.7179.80000109.7I133 V147 V148 F149 A201 L206 A208I133-V155 HydrophobicContact CG2-CG2 3.94Å; V147-V155 HydrophobicContact CG1-CB 4.38Å; V147-V155 HydrophobicContact CG1-CG1 3.74Å; V147-V155 HydrophobicContact CG1-CG2 3.68Å; V148-V155 CarbonylContact O-C 3.58Å; V148-V155 WeakPolarHBondContact O-CA 3.48Å; V148-V155 WeakPolarHBondContact O-CG1 3.41Å; F149-V155 HydrophobicContact CB-CG2 4.28Å; V155-A201 HydrophobicContact CB-CB 4.32Å; V155-A201 HydrophobicContact CG1-CB 3.86Å; V155-A201 WeakPolarHBondContact O-CB 3.38Å; V155-L206 HydrophobicContact CB-CB 4.17Å; V155-L206 HydrophobicContact CB-CD2 4.25Å; V155-L206 HydrophobicContact CB-CG 4.23Å; V155-L206 WeakPolarHBondContact CB-O 3.39Å; V155-L206 HydrophobicContact CG1-CD2 4.24Å; V155-L206 HydrophobicContact CG2-CB 4.33Å; V155-L206 HydrophobicContact CG2-CD2 4.19Å; V155-L206 HydrophobicContact CG2-CG 3.95Å; V155-L206 WeakPolarHBondContact CG2-O 3.45Å; V155-L206 PolarHBondContact N-O 3.23Å; V155-A208 HydrophobicContact CG2-CB 3.97Å
156E97.5Very high94.3Very high125 Ų12571.4 Ų71.458%0.58435%0.348SS*.EExtended strand (participates in β ladder)trans-74.4-38.6174-61-179.1161.400111.2V148 D150 V154V148-E156 PolarHBondContact O-N 3.34Å; D150-E156 HydrophobicContact CB-CG 4.45Å; V154-E156 PolarHBondContact O-N 3.1Å
157K95.3Very high94.2Very high123 Ų12372.1 Ų72.154%0.53536%0.355SS..EExtended strand (participates in β ladder)trans-153.8134.8-175.6-160.5-179.8-175.1-1780112.2V148 V159V148-K157 HydrophobicContact CB-CB 4.27Å; V148-K157 PolarHBondContact N-O 2.95Å; V148-K157 PolarHBondContact O-N 3.32Å; V148-K157 VanDerWaalsContact O-N 3.15Å; K157-V159 HydrophobicContact CD-CG2 3.61Å; K157-V159 HydrophobicContact CG-CG2 3.72Å
158F96.9Very high94Very high11 Ų1173.8 Ų73.85%0.04836%0.364CS..EExtended strand (participates in β ladder)trans-106.6128.1164.6-173.9-79.5000109.2I133 V147 E160 N171 E193 F197 P198I133-F158 HydrophobicContact CD1-CD2 3.96Å; I133-F158 HydrophobicContact CD1-CE2 3.63Å; V147-F158 HydrophobicContact CG2-CD2 3.86Å; V147-F158 HydrophobicContact CG2-CE2 3.96Å; F158-E160 HydrophobicContact CE1-CB 4.11Å; F158-N171 HydrophobicContact CE2-CB 4.05Å; F158-N171 HydrophobicContact CZ-CB 4.33Å; F158-E193 WeakPolarHBondContact CD1-O 3.49Å; F158-E193 HydrophobicContact CE1-CB 3.68Å; F158-E193 HydrophobicContact CE1-CG 4.35Å; F158-E193 WeakPolarHBondContact CE1-O 3.46Å; F158-E193 HydrophobicContact CZ-CB 3.87Å; F158-E193 HydrophobicContact CZ-CG 4.03Å; F158-F197 HydrophobicContact CB-CB 4.22Å; F158-F197 HydrophobicContact CD1-CB 4.32Å; F158-F197 HydrophobicContact CD2-CB 3.94Å; F158-F197 HydrophobicContact CD2-CD2 4.21Å; F158-F197 HydrophobicContact CD2-CG 4.41Å; F158-F197 HydrophobicContact CE2-CB 4.42Å; F158-F197 AromaticContact CE2-CD2 3.86Å; F158-F197 HydrophobicContact CE2-CD2 3.86Å; F158-F197 HydrophobicContact CG-CB 3.89Å; F158-F197 HydrophobicContact CZ-CD2 4.13Å; F158-P198 HydrophobicContact CB-CG 4.43Å; F158-P198 HydrophobicContact CD1-CG 4.22Å
159V93.7Very high94Very high28 Ų2875.3 Ų75.317%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-128.3106.8-179.6-167.80000110.3G145 V146 K157 K161 P162 V166G145-V159 CarbonylContact C-O 3.58Å; G145-V159 WeakPolarHBondContact CA-O 3.37Å; V146-V159 PolarHBondContact N-O 2.79Å; V146-V159 PolarHBondContact O-N 2.84Å; K157-V159 HydrophobicContact CD-CG2 3.61Å; K157-V159 HydrophobicContact CG-CG2 3.72Å; V159-K161 PolarHBondContact O-N 3.38Å; V159-P162 HydrophobicContact CG1-CB 3.79Å; V159-P162 HydrophobicContact CG1-CG 4.47Å; V159-V166 HydrophobicContact CG2-CG1 4.15Å
160E94.5Very high94Very high46 Ų4673.6 Ų73.622%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-72119.1178.7-179.258.9-168.800111.7G145 F158 E193 K194G145-E160 VanDerWaalsContact CA-OE2 3.31Å; G145-E160 WeakPolarHBondContact CA-OE2 3.47Å; G145-E160 PolarHBondContact N-OE2 2.89Å; F158-E160 HydrophobicContact CE1-CB 4.11Å; E160-E193 HydrophobicContact CB-CB 4.45Å; E160-E193 HydrophobicContact CG-CB 4.29Å; E160-K194 HydrophobicContact CB-CG 4.43Å; E160-K194 HydrophobicContact CG-CG 4.32Å
161K90.5Very high94.1Very high108 Ų10871.5 Ų71.547%0.4735%0.348SS..SBendtrans47.360.6173.1-67169.1-178.2124.90113.5K143 Y144 V159K143-K161 VanDerWaalsContact O-CE 3.24Å; K143-K161 WeakPolarHBondContact O-CE 3.34Å; Y144-K161 WeakPolarHBondContact O-CA 3.42Å; Y144-K161 PolarHBondContact O-N 3.24Å; V159-K161 PolarHBondContact O-N 3.38Å
162P87.9Confident94.3Very high14 Ų1461.5 Ų61.59%0.09130%0.302CS..  trans-65.4143.3-175.430.4-35.5000111.3V146 V159 E164 V166V146-P162 HydrophobicContact CB-CG 4.27Å; V146-P162 HydrophobicContact CG2-CG 3.63Å; V159-P162 HydrophobicContact CG1-CB 3.79Å; V159-P162 HydrophobicContact CG1-CG 4.47Å; P162-E164 WeakPolarHBondContact CB-O 3.46Å; P162-V166 HydrophobicContact CB-CG2 3.73Å; P162-V166 HydrophobicContact CG-CB 4.45Å; P162-V166 HydrophobicContact CG-CG2 4.15Å
163Q89.3Confident94.4Very high192 Ų19257.6 Ų57.690%0.89728%0.275SS*.SBendtrans-77.6-27.7174.8-62.2-60-60.700112.3
164E89.6Confident94.5Very high165 Ų16557.3 Ų57.377%0.77127%0.272SS*.SBendtrans-107.7155.4176.2-64.2-179.117400110P162 V166P162-E164 WeakPolarHBondContact CB-O 3.46Å; E164-V166 PolarHBondContact O-N 3Å; E164-V166 VanDerWaalsContact O-N 3.14Å
165Y89.9Confident94.5Very high163 Ų16356 Ų5664%0.63926%0.264SS*.  trans-67.7115.1177.7-178.3-91.7000110.7P141 N168P141-Y165 HydrophobicContact CG-CD2 4.15Å; P141-Y165 HydrophobicContact CG-CE2 4.18Å; Y165-N168 WeakPolarHBondContact OH-CB 3.46Å; Y165-N168 PolarHBondContact OH-N 3.49Å
166V88.2Confident94.5Very high57 Ų5756 Ų5635%0.34526%0.264SS..  trans-103.7-26.2176.41790000111.7V146 V148 V159 P162 E164V146-V166 HydrophobicContact CB-CB 4.48Å; V146-V166 HydrophobicContact CG1-CB 4.04Å; V146-V166 HydrophobicContact CG1-CG1 4.06Å; V148-V166 HydrophobicContact CG2-CG1 3.57Å; V159-V166 HydrophobicContact CG2-CG1 4.15Å; P162-V166 HydrophobicContact CB-CG2 3.73Å; P162-V166 HydrophobicContact CG-CB 4.45Å; P162-V166 HydrophobicContact CG-CG2 4.15Å; E164-V166 PolarHBondContact O-N 3Å; E164-V166 VanDerWaalsContact O-N 3.14Å
167G92.8Very high94.6Very high15 Ų1550.1 Ų50.116%0.15524%0.237CC..  trans165170.2-176.500000111.3P141P141-G167 WeakPolarHBondContact CB-O 3.5Å; P141-G167 WeakPolarHBondContact CG-O 3.1Å
168N94.6Very high94.7Very high38 Ų3846.2 Ų46.220%0.20322%0.221CC..SBendtrans-106.42.6-178.561.78.1000114.2R137 V138 Y165R137-N168 CarbonylContact C-O 3.53Å; R137-N168 VanDerWaalsContact CA-O 3.29Å; R137-N168 WeakPolarHBondContact CA-O 3.4Å; R137-N168 HydrophobicContact CG-CB 4.35Å; R137-N168 PolarHBondContact NE-ND2 2.9Å; R137-N168 VanDerWaalsContact NE-ND2 3.18Å; V138-N168 PolarHBondContact N-O 2.83Å; V138-N168 WeakPolarHBondContact O-CB 3.4Å; Y165-N168 WeakPolarHBondContact OH-CB 3.46Å; Y165-N168 PolarHBondContact OH-N 3.49Å
169K97.8Very high94.8Very high74 Ų7447.3 Ų47.332%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-95.9116.4175.2-62.9-179-170.9155.50108.7V135 T136 V146 V147 F149V135-K169 HydrophobicContact CB-CB 4.49Å; V135-K169 HydrophobicContact CG2-CB 4.46Å; T136-K169 CarbonylContact O-C 3.59Å; T136-K169 WeakPolarHBondContact O-CA 3.48Å; V146-K169 WeakPolarHBondContact CA-O 3.29Å; V147-K169 PolarHBondContact N-O 2.84Å; F149-K169 HydrophobicContact CD1-CD 4.4Å; F149-K169 HydrophobicContact CE1-CB 4.3Å; F149-K169 HydrophobicContact CE1-CD 3.25Å; F149-K169 HydrophobicContact CE1-CG 4.42Å; F149-K169 HydrophobicContact CE2-CD 4.48Å; F149-K169 HydrophobicContact CZ-CD 3.32Å
170I97.5Very high94.9Very high0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-110.6158.6-176.661.2145000111.3V135 T136 V138 P141 Y144 G145 V146 A172 W215V135-I170 CarbonylContact C-O 3.56Å; V135-I170 WeakPolarHBondContact CA-O 3.38Å; V135-I170 WeakPolarHBondContact CB-O 3.31Å; T136-I170 HydrophobicContact CG2-CD1 3.88Å; T136-I170 HydrophobicContact CG2-CG1 3.68Å; T136-I170 PolarHBondContact N-O 3.04Å; T136-I170 WeakPolarHBondContact O-CG1 3.2Å; T136-I170 PolarHBondContact O-N 2.92Å; V138-I170 HydrophobicContact CG1-CD1 3.76Å; V138-I170 HydrophobicContact CG1-CG1 3.89Å; V138-I170 HydrophobicContact CG2-CB 4.35Å; V138-I170 HydrophobicContact CG2-CD1 4.19Å; V138-I170 HydrophobicContact CG2-CG1 3.9Å; V138-I170 HydrophobicContact CG2-CG2 3.55Å; P141-I170 HydrophobicContact CB-CG2 3.75Å; Y144-I170 HydrophobicContact CD1-CD1 3.82Å; Y144-I170 HydrophobicContact CD2-CD1 3.68Å; Y144-I170 HydrophobicContact CD2-CG2 4.31Å; Y144-I170 HydrophobicContact CE1-CD1 4.29Å; Y144-I170 HydrophobicContact CE2-CD1 4.16Å; Y144-I170 HydrophobicContact CG-CB 4.35Å; Y144-I170 HydrophobicContact CG-CD1 3.49Å; Y144-I170 VanDerWaalsContact CG-CD1 3.49Å; Y144-I170 HydrophobicContact CG-CG2 4.36Å; G145-I170 CarbonylContact O-C 3.52Å; G145-I170 WeakPolarHBondContact O-CA 3.37Å; V146-I170 HydrophobicContact CG2-CG2 4.36Å; I170-A172 PolarHBondContact O-N 3.1Å; I170-W215 HydrophobicContact CD1-CH2 3.71Å; I170-W215 HydrophobicContact CD1-CZ2 4.34Å; I170-W215 HydrophobicContact CD1-CZ3 3.85Å
171N97.9Very high95Very high15 Ų1547 Ų478%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-56.5120.4166.5179.24.1000110.7I133 G145 F158 G173 Y175I133-N171 HydrophobicContact CD1-CB 4.25Å; G145-N171 PolarHBondContact O-N 2.97Å; F158-N171 HydrophobicContact CE2-CB 4.05Å; F158-N171 HydrophobicContact CZ-CB 4.33Å; N171-G173 VanDerWaalsContact C-N 3.35Å; N171-G173 PolarHBondContact OD1-N 3.36Å; N171-Y175 PolarHBondContact ND2-OH 2.85Å; N171-Y175 WeakPolarHBondContact OD1-CE1 3.48Å; N171-Y175 PolarHBondContact OD1-OH 2.81Å
172A97.6Very high95.3Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-87.40.3179.700000113.8V111 V134 T136 I170 L211 W215V111-A172 VanDerWaalsContact CG2-O 3.26Å; V111-A172 WeakPolarHBondContact CG2-O 3.36Å; V134-A172 HydrophobicContact CB-CB 4.23Å; V134-A172 HydrophobicContact CG1-CB 3.87Å; V134-A172 VanDerWaalsContact O-CB 3.29Å; V134-A172 WeakPolarHBondContact O-CB 3.16Å; V134-A172 PolarHBondContact O-N 2.67Å; T136-A172 HydrophobicContact CG2-CB 4.32Å; I170-A172 PolarHBondContact O-N 3.1Å; A172-L211 HydrophobicContact CB-CD2 4.45Å; A172-W215 PolarHBondContact O-NE1 2.86Å
173G97.2Very high95.8Very high2 Ų244.8 Ų44.82%0.02124%0.243CC..EExtended strand (participates in β ladder)trans74.225.5179.500000114.3L107 N108 N171L107-G173 CarbonylContact C-O 3.47Å; L107-G173 WeakPolarHBondContact CA-O 3.39Å; N108-G173 PolarHBondContact N-O 2.76Å; N171-G173 VanDerWaalsContact C-N 3.35Å; N171-G173 PolarHBondContact OD1-N 3.36Å
174I98.7Very high96.1Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-133.7129.4177-55.9170.8000107.8F105 L107 V111 F115 F117 I120 V134F105-I174 HydrophobicContact CD1-CG2 4.45Å; L107-I174 HydrophobicContact CD2-CG1 4.43Å; L107-I174 HydrophobicContact CD2-CG2 4.38Å; V111-I174 HydrophobicContact CG1-CD1 4.05Å; V111-I174 HydrophobicContact CG1-CG1 4.24Å; F115-I174 HydrophobicContact CD1-CD1 4.06Å; F115-I174 HydrophobicContact CE1-CD1 4.26Å; F117-I174 HydrophobicContact CE1-CG2 3.91Å; I120-I174 HydrophobicContact CD1-CG2 4.3Å; V134-I174 HydrophobicContact CB-CB 3.92Å; V134-I174 HydrophobicContact CB-CG2 4.46Å; V134-I174 VanDerWaalsContact CB-O 3.28Å; V134-I174 WeakPolarHBondContact CB-O 3.39Å; V134-I174 HydrophobicContact CG2-CB 3.82Å; V134-I174 HydrophobicContact CG2-CG2 3.8Å; V134-I174 WeakPolarHBondContact CG2-O 3.48Å; V134-I174 PolarHBondContact N-O 3.28Å
175Y98.7Very high96.5Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-137.4146.6-174.6-35.9-68.6000110.2F105 V106 T132 I133 N171 F197F105-Y175 CarbonylContact C-O 3.55Å; F105-Y175 VanDerWaalsContact CA-O 3.24Å; F105-Y175 WeakPolarHBondContact CA-O 3.35Å; F105-Y175 WeakPolarHBondContact CD1-O 3.4Å; V106-Y175 HydrophobicContact CB-CD2 3.77Å; V106-Y175 HydrophobicContact CG1-CD2 3.81Å; V106-Y175 HydrophobicContact CG1-CE2 4.31Å; V106-Y175 PolarHBondContact N-O 2.95Å; V106-Y175 WeakPolarHBondContact O-CD2 3.4Å; V106-Y175 PolarHBondContact O-N 3.29Å; T132-Y175 VanDerWaalsContact O-CA 3.32Å; T132-Y175 WeakPolarHBondContact O-CA 3.43Å; I133-Y175 HydrophobicContact CB-CD1 4.36Å; I133-Y175 HydrophobicContact CD1-CD1 4.27Å; I133-Y175 HydrophobicContact CD1-CE1 3.98Å; I133-Y175 HydrophobicContact CG1-CD1 3.88Å; I133-Y175 HydrophobicContact CG1-CE1 3.95Å; N171-Y175 PolarHBondContact ND2-OH 2.85Å; N171-Y175 WeakPolarHBondContact OD1-CE1 3.48Å; N171-Y175 PolarHBondContact OD1-OH 2.81Å; Y175-F197 HydrophobicContact CD1-CE1 4.21Å; Y175-F197 AromaticContact CD1-CE2 3.99Å; Y175-F197 HydrophobicContact CD1-CE2 3.99Å; Y175-F197 AromaticContact CD1-CZ 3.36Å; Y175-F197 HydrophobicContact CD1-CZ 3.36Å; Y175-F197 HydrophobicContact CD2-CZ 4.17Å; Y175-F197 AromaticContact CE1-CE2 3.49Å; Y175-F197 HydrophobicContact CE1-CE2 3.49Å; Y175-F197 VanDerWaalsContact CE1-CE2 3.49Å; Y175-F197 AromaticContact CE1-CZ 3.37Å; Y175-F197 HydrophobicContact CE1-CZ 3.37Å; Y175-F197 HydrophobicContact CE2-CE2 4.49Å; Y175-F197 HydrophobicContact CE2-CZ 4.19Å; Y175-F197 AromaticContact CG-CZ 3.77Å; Y175-F197 HydrophobicContact CG-CZ 3.77Å; Y175-F197 AromaticContact CZ-CE2 3.78Å; Y175-F197 AromaticContact CZ-CZ 3.8Å
176L98.8Very high96.7Very high1 Ų126.9 Ų26.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-123.7116.7167.4-176.957.6000107.9P103 F104 F105 I120 I121 H124 G131 T132P103-L176 HydrophobicContact CB-CD1 3.81Å; P103-L176 HydrophobicContact CB-CG 4.09Å; F104-L176 WeakPolarHBondContact O-CD1 3.28Å; F105-L176 HydrophobicContact CD1-CB 4.17Å; F105-L176 HydrophobicContact CD1-CD1 4.12Å; F105-L176 HydrophobicContact CD2-CD1 4.03Å; F105-L176 HydrophobicContact CE1-CB 4.04Å; F105-L176 HydrophobicContact CE1-CD1 4.18Å; F105-L176 HydrophobicContact CE1-CD2 4.35Å; F105-L176 HydrophobicContact CE1-CG 4.44Å; F105-L176 HydrophobicContact CE2-CD1 4.1Å; F105-L176 HydrophobicContact CG-CD1 4.05Å; F105-L176 HydrophobicContact CZ-CD1 4.18Å; F105-L176 HydrophobicContact CZ-CD2 4.18Å; I120-L176 HydrophobicContact CG2-CB 3.98Å; I120-L176 HydrophobicContact CG2-CD2 4.09Å; I121-L176 HydrophobicContact CB-CD2 4.37Å; I121-L176 HydrophobicContact CG1-CD2 3.99Å; H124-L176 HydrophobicContact CB-CD2 3.51Å; H124-L176 HydrophobicContact CB-CG 4.2Å; H124-L176 PolarHBondContact CE1-O 2.94Å; H124-L176 VanDerWaalsContact CE1-O 3.25Å; H124-L176 PolarHBondContact ND1-O 2.97Å; G131-L176 WeakPolarHBondContact CA-O 3.29Å; T132-L176 PolarHBondContact N-O 2.83Å; T132-L176 PolarHBondContact O-N 3.06Å
177L98.7Very high97.1Very high0 Ų029.6 Ų29.60%018%0.181CC..EExtended strand (participates in β ladder)trans-122.8140-169.4-55.9177.6000110.5P103 F104 V106 C181 I192 M200P103-L177 CarbonylContact C-O 3.55Å; P103-L177 VanDerWaalsContact CA-O 3.25Å; P103-L177 WeakPolarHBondContact CA-O 3.26Å; F104-L177 WeakPolarHBondContact CD1-O 3.33Å; F104-L177 HydrophobicContact CE1-CB 3.99Å; F104-L177 HydrophobicContact CZ-CB 4.11Å; F104-L177 HydrophobicContact CZ-CD1 4.39Å; F104-L177 PolarHBondContact N-O 3.35Å; F104-L177 PolarHBondContact O-N 2.83Å; V106-L177 HydrophobicContact CG2-CD1 4.03Å; L177-C181 HydrophobicContact CB-CB 4.31Å; L177-I192 HydrophobicContact CD1-CD1 4.34Å; L177-M200 HydrophobicContact CD2-CE 4.33Å
178N98.3Very high97.2Very high41 Ų4134.1 Ų34.122%0.21919%0.194CC..  trans-69.3151166-73-26.7000110.3P103 H124 R129 E130 S180 C181P103-N178 WeakPolarHBondContact CG-OD1 3.2Å; H124-N178 PolarHBondContact NE2-OD1 2.9Å; R129-N178 PolarHBondContact O-ND2 2.93Å; E130-N178 HydrophobicContact CG-CB 4.3Å; E130-N178 PolarHBondContact O-N 2.8Å; N178-S180 PolarHBondContact O-N 3Å; N178-C181 WeakPolarHBondContact O-CB 3.42Å; N178-C181 PolarHBondContact O-N 3.45Å
179T97.7Very high97.2Very high35 Ų3536.1 Ų36.122%0.21521%0.209CC..G310 helixtrans-61.7-22.9176.651.60000113.1I97 F104 C181 L182I97-T179 HydrophobicContact CG2-CG2 4.32Å; F104-T179 HydrophobicContact CD1-CG2 4.28Å; T179-C181 PolarHBondContact O-N 3.44Å; T179-L182 WeakPolarHBondContact O-CB 3.38Å; T179-L182 VanDerWaalsContact O-CG 3.22Å; T179-L182 WeakPolarHBondContact O-CG 3.42Å; T179-L182 PolarHBondContact O-N 3.12Å
180S96.8Very high97Very high67 Ų6732.6 Ų32.647%0.46919%0.194SC..G310 helixtrans-58.8-30.2171.9620000113E130 N178 L182 G183E130-S180 WeakPolarHBondContact CG-OG 3.39Å; E130-S180 VanDerWaalsContact OE1-CB 3.31Å; E130-S180 WeakPolarHBondContact OE1-CB 3.35Å; E130-S180 PolarHBondContact OE1-OG 3.38Å; N178-S180 PolarHBondContact O-N 3Å; S180-L182 PolarHBondContact O-N 2.91Å; S180-L182 VanDerWaalsContact O-N 3.11Å; S180-G183 PolarHBondContact O-N 3.05Å
181C96.8Very high96.9Very high1 Ų132.9 Ų32.91%0.00720%0.196CC..G310 helixtrans-59.6-26.1176.8-176.90000111.7E130 L177 N178 T179 G183 R184E130-C181 HydrophobicContact CG-CB 3.99Å; E130-C181 WeakPolarHBondContact OE1-CA 3.48Å; E130-C181 PolarHBondContact OE1-N 2.88Å; E130-C181 VanDerWaalsContact OE1-N 3.09Å; L177-C181 HydrophobicContact CB-CB 4.31Å; N178-C181 WeakPolarHBondContact O-CB 3.42Å; N178-C181 PolarHBondContact O-N 3.45Å; T179-C181 PolarHBondContact O-N 3.44Å; C181-G183 PolarHBondContact O-N 3.39Å; C181-R184 WeakPolarHBondContact O-CB 3.31Å; C181-R184 PolarHBondContact O-N 3.13Å
182L97.3Very high96.9Very high1 Ų132.1 Ų32.11%0.00519%0.192CC..G310 helixtrans-59-31.5176.2-60.5172.3000111.1I90 R94 I97 E98 F104 T179 S180 R184 I185I90-L182 HydrophobicContact CG2-CD2 3.59Å; R94-L182 HydrophobicContact CG-CD1 4.27Å; R94-L182 PolarHBondContact NH2-O 2.84Å; I97-L182 HydrophobicContact CB-CD1 4.26Å; I97-L182 HydrophobicContact CD1-CD2 4.15Å; I97-L182 HydrophobicContact CG2-CD1 3.88Å; E98-L182 HydrophobicContact CG-CD1 3.46Å; E98-L182 VanDerWaalsContact CG-CD1 3.46Å; F104-L182 HydrophobicContact CE1-CD2 4.29Å; F104-L182 HydrophobicContact CE1-CG 4.36Å; F104-L182 HydrophobicContact CZ-CD2 3.84Å; F104-L182 HydrophobicContact CZ-CG 4.39Å; T179-L182 WeakPolarHBondContact O-CB 3.38Å; T179-L182 VanDerWaalsContact O-CG 3.22Å; T179-L182 WeakPolarHBondContact O-CG 3.42Å; T179-L182 PolarHBondContact O-N 3.12Å; S180-L182 PolarHBondContact O-N 2.91Å; S180-L182 VanDerWaalsContact O-N 3.11Å; L182-R184 PolarHBondContact O-N 3.49Å; L182-I185 PolarHBondContact O-N 3.32Å; L182-I185 VanDerWaalsContact O-N 3.07Å
183G96.6Very high96.8Very high73 Ų7333 Ų3375%0.75320%0.196SC*.G310 helixtrans-62.9-18.8175.900000114.2S180 C181S180-G183 PolarHBondContact O-N 3.05Å; C181-G183 PolarHBondContact O-N 3.39Å
184R97.4Very high96.7Very high75 Ų7539.7 Ų39.728%0.28322%0.224SC..G310 helixtrans-83.1-17.6175.6-57.2-178.2176.1-924.6113.2E130 C181 L182 I196 D203E130-R184 IonicContact OE1-NE 3.04Å; E130-R184 IonicContact OE2-CZ 3.21Å; E130-R184 IonicContact OE2-NE 2.67Å; E130-R184 PolarHBondContact OE2-NE 2.77Å; E130-R184 IonicContact OE2-NH2 3.92Å; E130-R184 PolarHBondContact OE2-NH2 2.91Å; C181-R184 WeakPolarHBondContact O-CB 3.31Å; C181-R184 PolarHBondContact O-N 3.13Å; L182-R184 PolarHBondContact O-N 3.49Å; R184-I196 HydrophobicContact CB-CD1 4.24Å; R184-I196 HydrophobicContact CB-CG2 4.38Å; R184-I196 WeakPolarHBondContact O-CD1 3.45Å; R184-D203 IonicContact CZ-OD2 2.7Å; R184-D203 VanDerWaalsContact CZ-OD2 3.27Å; R184-D203 IonicContact NH1-OD2 3.37Å; R184-D203 PolarHBondContact NH1-OD2 3.03Å; R184-D203 IonicContact NH2-OD2 2.92Å; R184-D203 PolarHBondContact NH2-OD2 3.46Å
185I97.3Very high96.6Very high2 Ų243.3 Ų43.31%0.0124%0.241CC..  trans-107116.9-169.5-44.4176.1000109.7A87 I90 A91 R94 L182 I196A87-I185 HydrophobicContact CB-CD1 4.42Å; A87-I185 HydrophobicContact CB-CG2 3.82Å; A87-I185 WeakPolarHBondContact O-CG2 3.5Å; I90-I185 HydrophobicContact CB-CD1 3.98Å; I90-I185 HydrophobicContact CD1-CD1 4.16Å; I90-I185 HydrophobicContact CG2-CD1 3.83Å; A91-I185 HydrophobicContact CB-CB 4.28Å; A91-I185 HydrophobicContact CB-CG2 3.74Å; R94-I185 PolarHBondContact NH2-O 3.04Å; L182-I185 PolarHBondContact O-N 3.32Å; L182-I185 VanDerWaalsContact O-N 3.07Å; I185-I196 HydrophobicContact CG1-CD1 3.95Å; I185-I196 HydrophobicContact CG1-CG1 4.16Å
186S94.5Very high96.6Very high67 Ų6743.6 Ų43.647%0.46924%0.243SC..  trans-86146.4172.7-64.50000110.5R188S186-R188 PolarHBondContact O-N 2.78Å
187L95.1Very high96.6Very high114 Ų11443.6 Ų43.660%0.59724%0.243SC*.SBendtrans-74.877.1175-174.960.9000110.5L84 A91 L92L84-L187 HydrophobicContact CD1-CD1 4.07Å; A91-L187 HydrophobicContact CB-CB 4.33Å; A91-L187 HydrophobicContact CB-CD1 4.17Å; L92-L187 HydrophobicContact CB-CD1 3.84Å; L92-L187 HydrophobicContact CD1-CD1 4.13Å
188R94.9Very high96.5Very high110 Ų11045.7 Ų45.742%0.41526%0.256SS..SBendtrans-155.516717663.7171.2174.577.5-3.6108.2S186 T190 E195S186-R188 PolarHBondContact O-N 2.78Å; R188-T190 WeakPolarHBondContact CG-OG1 3.33Å; R188-T190 PolarHBondContact NH1-OG1 3.35Å; R188-T190 PolarHBondContact O-N 3.39Å; R188-T190 PolarHBondContact O-OG1 2.76Å; R188-E195 IonicContact CZ-OE2 3.66Å; R188-E195 IonicContact NH1-OE1 3.54Å; R188-E195 PolarHBondContact NH1-OE1 3.47Å; R188-E195 IonicContact NH1-OE2 2.87Å; R188-E195 PolarHBondContact NH1-OE2 2.83Å; R188-E195 VanDerWaalsContact NH1-OE2 3.1Å; R188-E195 IonicContact NH2-OE2 3.79Å; R188-E195 PolarHBondContact NH2-OE2 2.94Å
189P94.4Very high96.5Very high80 Ų8045.6 Ų45.652%0.51926%0.261SS..SBendtrans-50.4115.8167.4-26.535.6000110.6L84L84-P189 HydrophobicContact CD2-CG 4.47Å; L84-P189 WeakPolarHBondContact O-CA 3.49Å
190T95Very high96.5Very high1 Ų143.9 Ų43.91%0.00625%0.251CS..  trans-148.5126-172.7-52.30000108.9L84 T86 A87 G88 R188 E195 I196L84-T190 PolarHBondContact O-N 2.94Å; L84-T190 VanDerWaalsContact O-N 3.13Å; T86-T190 PolarHBondContact N-O 2.87Å; A87-T190 WeakPolarHBondContact CA-O 3.48Å; A87-T190 HydrophobicContact CB-CG2 3.9Å; A87-T190 VanDerWaalsContact CB-O 3.29Å; A87-T190 WeakPolarHBondContact CB-O 3.37Å; A87-T190 PolarHBondContact N-O 2.83Å; G88-T190 PolarHBondContact N-O 3.39Å; R188-T190 WeakPolarHBondContact CG-OG1 3.33Å; R188-T190 PolarHBondContact NH1-OG1 3.35Å; R188-T190 PolarHBondContact O-N 3.39Å; R188-T190 PolarHBondContact O-OG1 2.76Å; T190-E195 WeakPolarHBondContact CA-OE1 3.41Å; T190-E195 HydrophobicContact CG2-CB 4.18Å; T190-E195 HydrophobicContact CG2-CG 4.49Å; T190-I196 HydrophobicContact CG2-CD1 4.15Å; T190-I196 HydrophobicContact CG2-CG1 4.36Å
191S95.2Very high96.6Very high5 Ų541.1 Ų41.14%0.03523%0.232CC..  trans-90127.6173.7160.80000110.6D85 T86 E193 K194 E195D85-S191 WeakPolarHBondContact OD2-CB 3.24Å; T86-S191 WeakPolarHBondContact OG1-CA 3.33Å; S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.39Å; S191-E193 PolarHBondContact OG-N 3.42Å; S191-E193 PolarHBondContact OG-OE2 3.3Å; S191-K194 PolarHBondContact O-N 3.23Å; S191-K194 PolarHBondContact OG-N 2.77Å; S191-E195 WeakPolarHBondContact O-CB 3.42Å; S191-E195 PolarHBondContact O-N 3.03Å
192I97Very high96.6Very high0 Ų045 Ų450%026%0.264CS..Iπ-helixtrans-64.3-36.6175.7-159.2172.5000110.5T86 A87 I90 L177 I196 F197T86-I192 PolarHBondContact OG1-N 2.9Å; A87-I192 HydrophobicContact CB-CB 3.84Å; A87-I192 HydrophobicContact CB-CG1 4.4Å; I90-I192 HydrophobicContact CD1-CD1 3.77Å; L177-I192 HydrophobicContact CD1-CD1 4.34Å; I192-I196 HydrophobicContact CG1-CB 3.84Å; I192-I196 HydrophobicContact CG1-CG1 4.25Å; I192-I196 HydrophobicContact CG1-CG2 4.26Å; I192-I196 PolarHBondContact O-N 3.07Å; I192-F197 HydrophobicContact CB-CE2 4.29Å; I192-F197 HydrophobicContact CB-CZ 4.49Å; I192-F197 HydrophobicContact CD1-CE1 3.71Å; I192-F197 HydrophobicContact CD1-CE2 4.03Å; I192-F197 HydrophobicContact CD1-CZ 3.39Å; I192-F197 HydrophobicContact CG1-CD1 4.23Å; I192-F197 HydrophobicContact CG1-CD2 4.21Å; I192-F197 HydrophobicContact CG1-CE1 3.85Å; I192-F197 HydrophobicContact CG1-CE2 3.82Å; I192-F197 HydrophobicContact CG1-CG 4.39Å; I192-F197 HydrophobicContact CG1-CZ 3.61Å; I192-F197 HydrophobicContact CG2-CD2 4.29Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; I192-F197 HydrophobicContact CG2-CZ 4.14Å; I192-F197 PolarHBondContact O-N 3.18Å
193E96.5Very high96.7Very high17 Ų1749.5 Ų49.58%0.07929%0.288CS..Iπ-helixtrans-72.9-33.5-178.2-56.886.2177.500113.2T86 F158 E160 S191 P198T86-E193 PolarHBondContact OG1-OE2 3.38Å; F158-E193 WeakPolarHBondContact CD1-O 3.49Å; F158-E193 HydrophobicContact CE1-CB 3.68Å; F158-E193 HydrophobicContact CE1-CG 4.35Å; F158-E193 WeakPolarHBondContact CE1-O 3.46Å; F158-E193 HydrophobicContact CZ-CB 3.87Å; F158-E193 HydrophobicContact CZ-CG 4.03Å; E160-E193 HydrophobicContact CB-CB 4.45Å; E160-E193 HydrophobicContact CG-CB 4.29Å; S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.39Å; S191-E193 PolarHBondContact OG-N 3.42Å; S191-E193 PolarHBondContact OG-OE2 3.3Å; E193-P198 VanDerWaalsContact O-CD 3.26Å; E193-P198 WeakPolarHBondContact O-CD 3.12Å; E193-P198 VanDerWaalsContact O-CG 3.3Å; E193-P198 WeakPolarHBondContact O-CG 3.37Å
194K95.2Very high96.7Very high144 Ų14447 Ų4763%0.62626%0.262SS*.Iπ-helixtrans-95.3-31.1-176.6-65.9178.4-179172.60113.9E160 S191E160-K194 HydrophobicContact CB-CG 4.43Å; E160-K194 HydrophobicContact CG-CG 4.32Å; S191-K194 PolarHBondContact O-N 3.23Å; S191-K194 PolarHBondContact OG-N 2.77Å
195E96.5Very high96.8Very high76 Ų7645.9 Ų45.936%0.35526%0.26SS..Iπ-helixtrans-112.6-41.4-172.3-62-176-115.900112.7R188 T190 S191 A199R188-E195 IonicContact CZ-OE2 3.66Å; R188-E195 IonicContact NH1-OE1 3.54Å; R188-E195 PolarHBondContact NH1-OE1 3.47Å; R188-E195 IonicContact NH1-OE2 2.87Å; R188-E195 PolarHBondContact NH1-OE2 2.83Å; R188-E195 VanDerWaalsContact NH1-OE2 3.1Å; R188-E195 IonicContact NH2-OE2 3.79Å; R188-E195 PolarHBondContact NH2-OE2 2.94Å; T190-E195 WeakPolarHBondContact CA-OE1 3.41Å; T190-E195 HydrophobicContact CG2-CB 4.18Å; T190-E195 HydrophobicContact CG2-CG 4.49Å; S191-E195 WeakPolarHBondContact O-CB 3.42Å; S191-E195 PolarHBondContact O-N 3.03Å; E195-A199 WeakPolarHBondContact O-CB 3.3Å
196I98Very high96.8Very high6 Ų645.8 Ų45.83%0.03126%0.259CS..Iπ-helixtrans-91.8-55-168.4-49.5-57.4000111.7A87 R184 I185 T190 I192 A199 M200A87-I196 HydrophobicContact CB-CG1 4.05Å; R184-I196 HydrophobicContact CB-CD1 4.24Å; R184-I196 HydrophobicContact CB-CG2 4.38Å; R184-I196 WeakPolarHBondContact O-CD1 3.45Å; I185-I196 HydrophobicContact CG1-CD1 3.95Å; I185-I196 HydrophobicContact CG1-CG1 4.16Å; T190-I196 HydrophobicContact CG2-CD1 4.15Å; T190-I196 HydrophobicContact CG2-CG1 4.36Å; I192-I196 HydrophobicContact CG1-CB 3.84Å; I192-I196 HydrophobicContact CG1-CG1 4.25Å; I192-I196 HydrophobicContact CG1-CG2 4.26Å; I192-I196 PolarHBondContact O-N 3.07Å; I196-A199 PolarHBondContact O-N 3.29Å; I196-M200 HydrophobicContact CG2-CG 4.3Å; I196-M200 HydrophobicContact CG2-SD 3.91Å; I196-M200 WeakPolarHBondContact O-CG 3.35Å; I196-M200 PolarHBondContact O-N 3.13Å
197F98.3Very high97.1Very high0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-61.6-41.5179.8-65.5-37.5000113.5I133 F158 Y175 I192 A199 M200 A201 L206I133-F197 HydrophobicContact CD1-CD2 4.02Å; I133-F197 HydrophobicContact CD1-CE2 3.95Å; I133-F197 HydrophobicContact CD1-CG 4.43Å; I133-F197 HydrophobicContact CD1-CZ 4.29Å; F158-F197 HydrophobicContact CB-CB 4.22Å; F158-F197 HydrophobicContact CD1-CB 4.32Å; F158-F197 HydrophobicContact CD2-CB 3.94Å; F158-F197 HydrophobicContact CD2-CD2 4.21Å; F158-F197 HydrophobicContact CD2-CG 4.41Å; F158-F197 HydrophobicContact CE2-CB 4.42Å; F158-F197 AromaticContact CE2-CD2 3.86Å; F158-F197 HydrophobicContact CE2-CD2 3.86Å; F158-F197 HydrophobicContact CG-CB 3.89Å; F158-F197 HydrophobicContact CZ-CD2 4.13Å; Y175-F197 HydrophobicContact CD1-CE1 4.21Å; Y175-F197 AromaticContact CD1-CE2 3.99Å; Y175-F197 HydrophobicContact CD1-CE2 3.99Å; Y175-F197 AromaticContact CD1-CZ 3.36Å; Y175-F197 HydrophobicContact CD1-CZ 3.36Å; Y175-F197 HydrophobicContact CD2-CZ 4.17Å; Y175-F197 AromaticContact CE1-CE2 3.49Å; Y175-F197 HydrophobicContact CE1-CE2 3.49Å; Y175-F197 VanDerWaalsContact CE1-CE2 3.49Å; Y175-F197 AromaticContact CE1-CZ 3.37Å; Y175-F197 HydrophobicContact CE1-CZ 3.37Å; Y175-F197 HydrophobicContact CE2-CE2 4.49Å; Y175-F197 HydrophobicContact CE2-CZ 4.19Å; Y175-F197 AromaticContact CG-CZ 3.77Å; Y175-F197 HydrophobicContact CG-CZ 3.77Å; Y175-F197 AromaticContact CZ-CE2 3.78Å; Y175-F197 AromaticContact CZ-CZ 3.8Å; I192-F197 HydrophobicContact CB-CE2 4.29Å; I192-F197 HydrophobicContact CB-CZ 4.49Å; I192-F197 HydrophobicContact CD1-CE1 3.71Å; I192-F197 HydrophobicContact CD1-CE2 4.03Å; I192-F197 HydrophobicContact CD1-CZ 3.39Å; I192-F197 HydrophobicContact CG1-CD1 4.23Å; I192-F197 HydrophobicContact CG1-CD2 4.21Å; I192-F197 HydrophobicContact CG1-CE1 3.85Å; I192-F197 HydrophobicContact CG1-CE2 3.82Å; I192-F197 HydrophobicContact CG1-CG 4.39Å; I192-F197 HydrophobicContact CG1-CZ 3.61Å; I192-F197 HydrophobicContact CG2-CD2 4.29Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; I192-F197 HydrophobicContact CG2-CZ 4.14Å; I192-F197 PolarHBondContact O-N 3.18Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.24Å; F197-M200 HydrophobicContact CD1-SD 4.29Å; F197-M200 PolarHBondContact O-N 3.34Å; F197-A201 VanDerWaalsContact O-CB 3.32Å; F197-A201 WeakPolarHBondContact O-CB 3.42Å; F197-A201 PolarHBondContact O-N 2.93Å; F197-L206 HydrophobicContact CB-CD2 3.96Å; F197-L206 HydrophobicContact CD1-CD1 4.14Å; F197-L206 HydrophobicContact CD1-CD2 3.93Å; F197-L206 HydrophobicContact CE1-CD1 4.44Å; F197-L206 HydrophobicContact CG-CD2 4.19Å
198P97.5Very high97.2Very high44 Ų4437.4 Ų37.429%0.28621%0.211SC..Hα-helixtrans-60.8-38.7174-26.638000112.9F158 E193 A202F158-P198 HydrophobicContact CB-CG 4.43Å; F158-P198 HydrophobicContact CD1-CG 4.22Å; E193-P198 VanDerWaalsContact O-CD 3.26Å; E193-P198 WeakPolarHBondContact O-CD 3.12Å; E193-P198 VanDerWaalsContact O-CG 3.3Å; E193-P198 WeakPolarHBondContact O-CG 3.37Å; P198-A202 WeakPolarHBondContact O-CB 3.34Å; P198-A202 PolarHBondContact O-N 2.97Å
199A97.6Very high97.4Very high39 Ų3933.4 Ų33.432%0.32220%0.196SC..Hα-helixtrans-68.9-44.2176.600000112E195 I196 F197 A201 A202 D203E195-A199 WeakPolarHBondContact O-CB 3.3Å; I196-A199 PolarHBondContact O-N 3.29Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.24Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 3Å; A199-A202 PolarHBondContact O-N 2.92Å; A199-D203 PolarHBondContact O-N 3.06Å
200M98.5Very high97.6Very high0 Ų033.1 Ų33.10%019%0.193CC..Hα-helixtrans-62.6-39.2175.7-66.7177.174.100112.2E130 L177 I196 F197 D203 G204 E205 L206E130-M200 HydrophobicContact CB-CE 3.88Å; E130-M200 HydrophobicContact CG-CE 3.87Å; L177-M200 HydrophobicContact CD2-CE 4.33Å; I196-M200 HydrophobicContact CG2-CG 4.3Å; I196-M200 HydrophobicContact CG2-SD 3.91Å; I196-M200 WeakPolarHBondContact O-CG 3.35Å; I196-M200 PolarHBondContact O-N 3.13Å; F197-M200 HydrophobicContact CD1-SD 4.29Å; F197-M200 PolarHBondContact O-N 3.34Å; M200-D203 PolarHBondContact O-N 3.43Å; M200-G204 PolarHBondContact O-N 3.05Å; M200-E205 PolarHBondContact O-N 3.21Å; M200-L206 HydrophobicContact CB-CB 3.95Å; M200-L206 HydrophobicContact CE-CD1 4.15Å; M200-L206 HydrophobicContact SD-CD1 4.49Å
201A98.2Very high97.7Very high8 Ų833.6 Ų33.67%0.06620%0.195CC..Hα-helixtrans-63.8-45.3174.600000111.4V155 F197 A199 D203 G204V155-A201 HydrophobicContact CB-CB 4.32Å; V155-A201 HydrophobicContact CG1-CB 3.86Å; V155-A201 WeakPolarHBondContact O-CB 3.38Å; F197-A201 VanDerWaalsContact O-CB 3.32Å; F197-A201 WeakPolarHBondContact O-CB 3.42Å; F197-A201 PolarHBondContact O-N 2.93Å; A199-A201 VanDerWaalsContact C-N 3.33Å; A199-A201 PolarHBondContact O-N 3Å; A201-D203 PolarHBondContact O-N 3.36Å; A201-G204 PolarHBondContact O-N 3.48Å
202A97.8Very high97.7Very high84 Ų8436.8 Ų36.869%0.69422%0.216SC*.Hα-helixtrans-60.8-33.2176.900000113P198 A199 G204P198-A202 WeakPolarHBondContact O-CB 3.34Å; P198-A202 PolarHBondContact O-N 2.97Å; A199-A202 PolarHBondContact O-N 2.92Å; A202-G204 VanDerWaalsContact C-N 3.3Å
203D98.1Very high97.5Very high95 Ų9539.7 Ų39.751%0.50825%0.246SC..THydrogen-bonded Turntrans-81.1-5.5175.8-66.8-15.6000113.4R184 A199 M200 A201 E205R184-D203 IonicContact CZ-OD2 2.7Å; R184-D203 VanDerWaalsContact CZ-OD2 3.27Å; R184-D203 IonicContact NH1-OD2 3.37Å; R184-D203 PolarHBondContact NH1-OD2 3.03Å; R184-D203 IonicContact NH2-OD2 2.92Å; R184-D203 PolarHBondContact NH2-OD2 3.46Å; A199-D203 PolarHBondContact O-N 3.06Å; M200-D203 PolarHBondContact O-N 3.43Å; A201-D203 PolarHBondContact O-N 3.36Å; D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 HydrophobicContact CB-CB 4.39Å; D203-E205 HydrophobicContact CB-CG 4.15Å
204G98Very high97.5Very high19 Ų1940.1 Ų40.120%0.19625%0.248CC..THydrogen-bonded Turntrans71.423.2-175.500000114.1M200 A201 A202M200-G204 PolarHBondContact O-N 3.05Å; A201-G204 PolarHBondContact O-N 3.48Å; A202-G204 VanDerWaalsContact C-N 3.3Å
205E98.6Very high97.6Very high52 Ų5234.4 Ų34.424%0.24322%0.222CC..  trans-106.75.2-172.1-74.8-55.6143.100114.1R129 E130 G131 M200 D203R129-E205 WeakPolarHBondContact CA-OE2 3.29Å; R129-E205 IonicContact NH1-OE1 3.33Å; R129-E205 PolarHBondContact NH1-OE1 2.84Å; E130-E205 HydrophobicContact CB-CB 3.85Å; E130-E205 HydrophobicContact CB-CG 4.4Å; E130-E205 PolarHBondContact N-O 3.21Å; E130-E205 PolarHBondContact N-OE2 3.4Å; G131-E205 PolarHBondContact N-O 3.11Å; M200-E205 PolarHBondContact O-N 3.21Å; D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 HydrophobicContact CB-CB 4.39Å; D203-E205 HydrophobicContact CB-CG 4.15Å
206L98.8Very high97.6Very high0 Ų031.5 Ų31.50%021%0.209CC..EExtended strand (participates in β ladder)trans-116.6128.1177-169.165.2000110.8I133 V155 F197 M200I133-L206 HydrophobicContact CB-CD1 4.11Å; I133-L206 HydrophobicContact CB-CD2 4.49Å; I133-L206 HydrophobicContact CB-CG 4.43Å; I133-L206 HydrophobicContact CG2-CD1 4.05Å; I133-L206 HydrophobicContact CG2-CD2 3.97Å; I133-L206 HydrophobicContact CG2-CG 3.85Å; V155-L206 HydrophobicContact CB-CB 4.17Å; V155-L206 HydrophobicContact CB-CD2 4.25Å; V155-L206 HydrophobicContact CB-CG 4.23Å; V155-L206 WeakPolarHBondContact CB-O 3.39Å; V155-L206 HydrophobicContact CG1-CD2 4.24Å; V155-L206 HydrophobicContact CG2-CB 4.33Å; V155-L206 HydrophobicContact CG2-CD2 4.19Å; V155-L206 HydrophobicContact CG2-CG 3.95Å; V155-L206 WeakPolarHBondContact CG2-O 3.45Å; V155-L206 PolarHBondContact N-O 3.23Å; F197-L206 HydrophobicContact CB-CD2 3.96Å; F197-L206 HydrophobicContact CD1-CD1 4.14Å; F197-L206 HydrophobicContact CD1-CD2 3.93Å; F197-L206 HydrophobicContact CE1-CD1 4.44Å; F197-L206 HydrophobicContact CG-CD2 4.19Å; M200-L206 HydrophobicContact CB-CB 3.95Å; M200-L206 HydrophobicContact CE-CD1 4.15Å; M200-L206 HydrophobicContact SD-CD1 4.49Å
207C98.8Very high97.5Very high2 Ų232.3 Ų32.31%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-116.8142.9174.9-68.60000111.3Y123 G131 T132 I133 G153Y123-C207 HydrophobicContact CE1-CB 4.21Å; G131-C207 PolarHBondContact O-N 3.49Å; T132-C207 CarbonylContact C-O 3.59Å; T132-C207 VanDerWaalsContact CA-O 3.27Å; T132-C207 WeakPolarHBondContact CA-O 3.46Å; I133-C207 PolarHBondContact N-O 2.93Å; G153-C207 CarbonylContact O-C 3.48Å; G153-C207 VanDerWaalsContact O-CA 3.25Å; G153-C207 WeakPolarHBondContact O-CA 3.29Å
208A98.7Very high97.4Very high3 Ų332.3 Ų32.33%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-91.6133.4178.300000111.3Y123 I133 V135 V147 F149 G153 V155Y123-A208 WeakPolarHBondContact CE1-O 3.43Å; Y123-A208 PolarHBondContact OH-O 2.69Å; I133-A208 HydrophobicContact CG2-CB 4.45Å; I133-A208 CarbonylContact O-C 3.51Å; I133-A208 VanDerWaalsContact O-CA 3.32Å; I133-A208 WeakPolarHBondContact O-CA 3.47Å; V135-A208 HydrophobicContact CG1-CB 4.13Å; V135-A208 HydrophobicContact CG2-CB 4.36Å; V147-A208 HydrophobicContact CG1-CB 4.33Å; F149-A208 HydrophobicContact CB-CB 4.12Å; F149-A208 HydrophobicContact CD1-CB 3.44Å; F149-A208 VanDerWaalsContact CD1-CB 3.44Å; F149-A208 HydrophobicContact CD2-CB 4.06Å; F149-A208 HydrophobicContact CE1-CB 3.65Å; F149-A208 HydrophobicContact CE2-CB 4.24Å; F149-A208 HydrophobicContact CG-CB 3.63Å; F149-A208 HydrophobicContact CZ-CB 4.02Å; G153-A208 PolarHBondContact O-N 2.79Å; V155-A208 HydrophobicContact CG2-CB 3.97Å
209F98.6Very high97.2Very high26 Ų2630.2 Ų30.211%0.11420%0.2CC..EExtended strand (participates in β ladder)trans-108.8118.5168.2-179.2-83.5000109.4P116 D119 I120 Y123 T132 I133 V134 V135 L211P116-F209 HydrophobicContact CG-CE1 4.1Å; D119-F209 HydrophobicContact CB-CE2 4.21Å; D119-F209 HydrophobicContact CB-CZ 3.95Å; I120-F209 HydrophobicContact CG1-CD1 3.88Å; I120-F209 HydrophobicContact CG1-CD2 4.37Å; I120-F209 HydrophobicContact CG1-CE1 3.87Å; I120-F209 HydrophobicContact CG1-CE2 4.35Å; I120-F209 HydrophobicContact CG1-CG 4.13Å; I120-F209 HydrophobicContact CG1-CZ 4.11Å; Y123-F209 HydrophobicContact CD1-CB 3.99Å; Y123-F209 AromaticContact CD1-CD2 3.68Å; Y123-F209 HydrophobicContact CD1-CD2 3.68Å; Y123-F209 HydrophobicContact CD1-CG 4.34Å; Y123-F209 HydrophobicContact CD2-CD2 4.42Å; Y123-F209 HydrophobicContact CE1-CB 4.04Å; Y123-F209 HydrophobicContact CE1-CD2 4.34Å; Y123-F209 AromaticContact CG-CD2 3.7Å; Y123-F209 HydrophobicContact CG-CD2 3.7Å; Y123-F209 HydrophobicContact CG-CE2 4.37Å; T132-F209 HydrophobicContact CG2-CB 3.65Å; I133-F209 PolarHBondContact O-N 3.45Å; V134-F209 CarbonylContact C-O 3.54Å; V134-F209 WeakPolarHBondContact CA-O 3.38Å; V134-F209 HydrophobicContact CG1-CD1 4.34Å; V134-F209 HydrophobicContact CG2-CB 4.46Å; V134-F209 HydrophobicContact CG2-CD1 4.42Å; V135-F209 PolarHBondContact N-O 2.88Å; F209-L211 PolarHBondContact O-N 2.85Å
210V98.1Very high97.1Very high75 Ų7531 Ų3146%0.45520%0.197SC..EExtended strand (participates in β ladder)trans-79.8114179.7-175.20000109.9V135 F149 P212V135-V210 HydrophobicContact CG2-CB 4.32Å; V135-V210 HydrophobicContact CG2-CG2 3.87Å; F149-V210 HydrophobicContact CE2-CG2 4.28Å; F149-V210 HydrophobicContact CZ-CG2 3.67Å; V210-P212 WeakPolarHBondContact O-CD 3.41Å
211L97.7Very high97Very high10 Ų1031.3 Ų31.35%0.05220%0.199CC..  trans-65121-179.3-174.564000110.9C113 P116 V134 V135 A172 F209 W215C113-L211 HydrophobicContact CB-CD2 3.82Å; P116-L211 HydrophobicContact CG-CD1 3.71Å; V134-L211 HydrophobicContact CG1-CB 3.72Å; V134-L211 HydrophobicContact CG1-CD1 4.09Å; V134-L211 HydrophobicContact CG1-CD2 4.39Å; V134-L211 HydrophobicContact CG1-CG 4.29Å; V135-L211 WeakPolarHBondContact O-CB 3.15Å; V135-L211 PolarHBondContact O-N 3.39Å; A172-L211 HydrophobicContact CB-CD2 4.45Å; F209-L211 PolarHBondContact O-N 2.85Å; L211-W215 HydrophobicContact CD2-CB 3.83Å; L211-W215 HydrophobicContact CD2-CG 4.03Å
212P94.8Very high96.9Very high72 Ų7237.6 Ų37.647%0.46822%0.221SC..  trans-74.6153.9168.731.1-35.8000111.3P116 V210P116-P212 HydrophobicContact CG-CG 4.38Å; V210-P212 WeakPolarHBondContact O-CD 3.41Å
213G94Very high96.8Very high62 Ų6234.3 Ų34.364%0.63919%0.192SC*.SBendtrans80-153.9173.300000113.7
214F96.1Very high96.9Very high26 Ų2629.8 Ų29.811%0.11417%0.168CC..  trans-86.4157.8-176.482.4-87.5000111.6I112 C113 D114 L230 Y231 H234I112-F214 HydrophobicContact CB-CE2 4.5Å; I112-F214 HydrophobicContact CG2-CE2 3.75Å; I112-F214 HydrophobicContact CG2-CZ 3.95Å; C113-F214 WeakPolarHBondContact CB-O 3.4Å; D114-F214 WeakPolarHBondContact OD1-CE1 3.28Å; F214-L230 HydrophobicContact CB-CB 4.12Å; F214-L230 HydrophobicContact CB-CD1 4.47Å; F214-L230 HydrophobicContact CB-CD2 4.44Å; F214-L230 HydrophobicContact CD2-CB 3.68Å; F214-L230 HydrophobicContact CD2-CD1 4.38Å; F214-L230 HydrophobicContact CE2-CB 4.41Å; F214-L230 HydrophobicContact CG-CB 3.98Å; F214-Y231 AromaticContact CZ-CD2 3.83Å; F214-Y231 HydrophobicContact CZ-CD2 3.83Å; F214-H234 HydrophobicContact CD1-CB 3.79Å; F214-H234 HydrophobicContact CE1-CB 3.5Å; F214-H234 VanDerWaalsContact CE1-CB 3.5Å; F214-H234 AromaticContact CE1-CG 3.79Å
215W97.3Very high96.9Very high24 Ų2429.4 Ų29.49%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-147.7143.3172.9175.291.6000109.8I112 T136 V138 Y144 I170 A172 L211 D217I112-W215 WeakPolarHBondContact O-CA 3.45Å; T136-W215 HydrophobicContact CG2-CB 4.15Å; T136-W215 HydrophobicContact CG2-CD2 3.57Å; T136-W215 HydrophobicContact CG2-CE3 3.68Å; T136-W215 HydrophobicContact CG2-CG 3.79Å; T136-W215 HydrophobicContact CG2-CZ3 4.28Å; V138-W215 HydrophobicContact CG1-CZ3 4.49Å; Y144-W215 HydrophobicContact CD1-CH2 4.29Å; Y144-W215 AromaticContact CE1-CH2 3.77Å; Y144-W215 HydrophobicContact CE1-CH2 3.77Å; Y144-W215 HydrophobicContact CE1-CZ3 4.41Å; I170-W215 HydrophobicContact CD1-CH2 3.71Å; I170-W215 HydrophobicContact CD1-CZ2 4.34Å; I170-W215 HydrophobicContact CD1-CZ3 3.85Å; A172-W215 PolarHBondContact O-NE1 2.86Å; L211-W215 HydrophobicContact CD2-CB 3.83Å; L211-W215 HydrophobicContact CD2-CG 4.03Å; W215-D217 HydrophobicContact CH2-CB 4Å; W215-D217 HydrophobicContact CZ2-CB 4.3Å
216M96.4Very high96.8Very high15 Ų1534.2 Ų34.27%0.07418%0.177CC..EExtended strand (participates in β ladder)trans-151.8137.2170.9-166.357.356.700112.1I112 V218 D223 R226 L230I112-M216 PolarHBondContact N-O 2.63Å; I112-M216 PolarHBondContact O-N 2.84Å; M216-V218 HydrophobicContact CB-CG1 4.11Å; M216-V218 HydrophobicContact CG-CG1 3.88Å; M216-D223 HydrophobicContact CG-CB 4.34Å; M216-D223 WeakPolarHBondContact CG-O 3.15Å; M216-D223 HydrophobicContact SD-CB 3.97Å; M216-R226 HydrophobicContact CE-CB 4.4Å; M216-R226 HydrophobicContact CE-CG 3.82Å; M216-L230 HydrophobicContact CB-CD1 4.48Å; M216-L230 HydrophobicContact CE-CD1 3.41Å; M216-L230 VanDerWaalsContact CE-CD1 3.41Å
217D94.7Very high96.8Very high22 Ų2234.2 Ų34.212%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-81.3107.6158.4170.4-7.9000108.1R13 D110 W215 G219 D223R13-D217 IonicContact NH1-OD2 3.94Å; R13-D217 IonicContact NH2-OD2 2.84Å; D110-D217 CarbonylContact O-C 3.52Å; D110-D217 WeakPolarHBondContact O-CA 3.3Å; W215-D217 HydrophobicContact CH2-CB 4Å; W215-D217 HydrophobicContact CZ2-CB 4.3Å; D217-G219 VanDerWaalsContact C-N 3.28Å; D217-G219 PolarHBondContact O-N 3.06Å; D217-G219 WeakPolarHBondContact OD1-CA 3.38Å; D217-G219 PolarHBondContact OD1-N 3.13Å; D217-D223 WeakPolarHBondContact O-CB 3.32Å
218V96.2Very high96.8Very high0 Ų034.2 Ų34.20%018%0.177CC..  trans-92.619.8-177.8-58.90000112.8F28 M33 D110 I112 M216 Q220 F224F28-V218 HydrophobicContact CD2-CB 4.31Å; F28-V218 HydrophobicContact CD2-CG1 4.15Å; F28-V218 HydrophobicContact CD2-CG2 4.29Å; F28-V218 HydrophobicContact CE2-CB 4.23Å; F28-V218 HydrophobicContact CE2-CG1 3.61Å; F28-V218 HydrophobicContact CZ-CG1 4.1Å; M33-V218 HydrophobicContact CE-CG2 3.92Å; M33-V218 HydrophobicContact CG-CG2 4.32Å; M33-V218 HydrophobicContact SD-CG2 3.81Å; D110-V218 WeakPolarHBondContact O-CG2 3.27Å; D110-V218 PolarHBondContact O-N 3Å; I112-V218 HydrophobicContact CB-CG1 4.38Å; I112-V218 HydrophobicContact CG1-CG1 3.9Å; I112-V218 HydrophobicContact CG1-CG2 3.77Å; M216-V218 HydrophobicContact CB-CG1 4.11Å; M216-V218 HydrophobicContact CG-CG1 3.88Å; V218-Q220 PolarHBondContact O-N 3.12Å; V218-F224 HydrophobicContact CB-CB 4.42Å; V218-F224 HydrophobicContact CB-CD2 4.23Å
219G94Very high96.7Very high1 Ų135 Ų351%0.0118%0.184CC..SBendtrans-71-4.8-176.800000115.4R13 D217R13-G219 VanDerWaalsContact CB-O 3.3Å; R13-G219 WeakPolarHBondContact CB-O 3.16Å; D217-G219 VanDerWaalsContact C-N 3.28Å; D217-G219 PolarHBondContact O-N 3.06Å; D217-G219 WeakPolarHBondContact OD1-CA 3.38Å; D217-G219 PolarHBondContact OD1-N 3.13Å
220Q95.1Very high96.7Very high54 Ų5436.5 Ų36.525%0.25219%0.192SC..SBendtrans-140.7151.917665.3-176.1-20.600112.5R13 V218 R222 D223 F224R13-Q220 HydrophobicContact CB-CB 4.23Å; V218-Q220 PolarHBondContact O-N 3.12Å; Q220-R222 PolarHBondContact O-N 2.9Å; Q220-D223 HydrophobicContact CG-CB 3.99Å; Q220-D223 WeakPolarHBondContact CG-OD2 3.36Å; Q220-D223 PolarHBondContact NE2-OD2 3.26Å; Q220-D223 PolarHBondContact O-N 2.82Å; Q220-F224 WeakPolarHBondContact O-CB 3.48Å; Q220-F224 PolarHBondContact O-N 3.26Å
221P97.4Very high96.7Very high7 Ų734.7 Ų34.75%0.04518%0.178CC..Hα-helixtrans-53.7-43.5-169-32.437.1000116.4R13 L14 D223 F224 I225 I322 V338 V340R13-P221 VanDerWaalsContact O-CD 3.22Å; R13-P221 WeakPolarHBondContact O-CD 3.45Å; L14-P221 HydrophobicContact CD1-CG 4.45Å; P221-D223 VanDerWaalsContact C-N 3.33Å; P221-D223 PolarHBondContact O-N 3.47Å; P221-F224 WeakPolarHBondContact O-CB 3.47Å; P221-F224 PolarHBondContact O-N 3.42Å; P221-I225 WeakPolarHBondContact O-CG1 3.31Å; P221-I225 PolarHBondContact O-N 2.82Å; P221-I322 HydrophobicContact CB-CD1 3.96Å; P221-V338 HydrophobicContact CB-CG1 3.61Å; P221-V340 HydrophobicContact CB-CG2 3.59Å; P221-V340 HydrophobicContact CG-CG2 3.78Å
222R96.6Very high96.7Very high140 Ų14034.2 Ų34.253%0.52818%0.175SC..Hα-helixtrans-62.6-43.9179.7-177.2178.463.8-160.6-7.7111.4Q220 I225 R226 V338Q220-R222 PolarHBondContact O-N 2.9Å; R222-I225 PolarHBondContact O-N 3.22Å; R222-R226 PolarHBondContact O-N 3.29Å; R222-V338 HydrophobicContact CB-CG1 4.33Å; R222-V338 HydrophobicContact CB-CG2 4.33Å; R222-V338 HydrophobicContact CG-CG2 4.42Å
223D95.9Very high96.9Very high15 Ų1534.5 Ų34.58%0.0817%0.17CC..Hα-helixtrans-78.3-27.6-177.9-58.1-11.9000110.6M216 D217 Q220 P221 R226 G227M216-D223 HydrophobicContact CG-CB 4.34Å; M216-D223 WeakPolarHBondContact CG-O 3.15Å; M216-D223 HydrophobicContact SD-CB 3.97Å; D217-D223 WeakPolarHBondContact O-CB 3.32Å; Q220-D223 HydrophobicContact CG-CB 3.99Å; Q220-D223 WeakPolarHBondContact CG-OD2 3.36Å; Q220-D223 PolarHBondContact NE2-OD2 3.26Å; Q220-D223 PolarHBondContact O-N 2.82Å; P221-D223 VanDerWaalsContact C-N 3.33Å; P221-D223 PolarHBondContact O-N 3.47Å; D223-R226 PolarHBondContact O-N 2.83Å; D223-G227 WeakPolarHBondContact O-CA 3.13Å; D223-G227 PolarHBondContact O-N 3.06Å
224F98.2Very high97Very high0 Ų033.5 Ų33.50%015%0.149CC..Hα-helixtrans-59.2-51.8167.5-171-73.5000111L14 V26 E27 F28 M33 V218 Q220 P221 R226 G227 S228 T305 I322L14-F224 HydrophobicContact CD1-CB 4.41Å; L14-F224 HydrophobicContact CD1-CD2 4.03Å; V26-F224 HydrophobicContact CG1-CE2 4.48Å; E27-F224 WeakPolarHBondContact O-CZ 3.41Å; F28-F224 HydrophobicContact CB-CE2 4.13Å; F28-F224 HydrophobicContact CB-CZ 4.15Å; F28-F224 HydrophobicContact CD2-CD1 4.27Å; F28-F224 AromaticContact CD2-CD2 3.96Å; F28-F224 HydrophobicContact CD2-CD2 3.96Å; F28-F224 HydrophobicContact CD2-CE1 4Å; F28-F224 AromaticContact CD2-CE2 3.7Å; F28-F224 HydrophobicContact CD2-CE2 3.7Å; F28-F224 HydrophobicContact CD2-CG 4.25Å; F28-F224 AromaticContact CD2-CZ 3.72Å; F28-F224 HydrophobicContact CD2-CZ 3.72Å; F28-F224 HydrophobicContact CG-CE2 4.41Å; F28-F224 HydrophobicContact CG-CZ 4.39Å; M33-F224 HydrophobicContact CE-CE2 4.26Å; V218-F224 HydrophobicContact CB-CB 4.42Å; V218-F224 HydrophobicContact CB-CD2 4.23Å; Q220-F224 WeakPolarHBondContact O-CB 3.48Å; Q220-F224 PolarHBondContact O-N 3.26Å; P221-F224 WeakPolarHBondContact O-CB 3.47Å; P221-F224 PolarHBondContact O-N 3.42Å; F224-R226 PolarHBondContact O-N 3.14Å; F224-G227 PolarHBondContact O-N 3.35Å; F224-S228 PolarHBondContact O-N 3.24Å; F224-S228 PolarHBondContact O-OG 2.95Å; F224-T305 HydrophobicContact CE1-CG2 4.14Å; F224-I322 HydrophobicContact CB-CD1 4.04Å; F224-I322 HydrophobicContact CD1-CD1 3.66Å; F224-I322 HydrophobicContact CD1-CG1 4.29Å; F224-I322 HydrophobicContact CE1-CD1 4.34Å; F224-I322 HydrophobicContact CG-CD1 3.96Å
225I98.4Very high97Very high12 Ų1232.5 Ų32.56%0.06215%0.145CC..Hα-helixtrans-60.5-45.8177.4-66.7166.8000111P221 R222 S228 A229 H303 I322 V338P221-I225 WeakPolarHBondContact O-CG1 3.31Å; P221-I225 PolarHBondContact O-N 2.82Å; R222-I225 PolarHBondContact O-N 3.22Å; I225-S228 PolarHBondContact O-N 3.43Å; I225-A229 PolarHBondContact O-N 3.13Å; I225-A229 VanDerWaalsContact O-N 3.11Å; I225-H303 HydrophobicContact CG2-CB 4.09Å; I225-H303 WeakPolarHBondContact CG2-O 3.31Å; I225-I322 HydrophobicContact CD1-CG1 4.1Å; I225-I322 HydrophobicContact CG1-CD1 4.13Å; I225-I322 HydrophobicContact CG1-CG1 3.79Å; I225-V338 HydrophobicContact CD1-CG1 4.02Å; I225-V338 HydrophobicContact CD1-CG2 4.42Å
226R97.4Very high97Very high152 Ų15236.9 Ų36.957%0.57416%0.161SC*.Hα-helixtrans-62.8-43.4177.6-173.7179.3176.9168.50.4111.5M216 R222 D223 F224 S228 A229 L230M216-R226 HydrophobicContact CE-CB 4.4Å; M216-R226 HydrophobicContact CE-CG 3.82Å; R222-R226 PolarHBondContact O-N 3.29Å; D223-R226 PolarHBondContact O-N 2.83Å; F224-R226 PolarHBondContact O-N 3.14Å; R226-S228 VanDerWaalsContact C-N 3.32Å; R226-S228 PolarHBondContact O-N 2.94Å; R226-A229 WeakPolarHBondContact O-CB 3.43Å; R226-A229 PolarHBondContact O-N 3.01Å; R226-L230 WeakPolarHBondContact O-CG 3.4Å; R226-L230 PolarHBondContact O-N 3.14Å
227G97.9Very high96.9Very high0 Ų040.1 Ų40.10%018%0.182CC..Hα-helixtrans-59.2-44.2175.600000111.1F28 D223 F224 A229 L230 Y231F28-G227 VanDerWaalsContact CZ-C 3.4Å; D223-G227 WeakPolarHBondContact O-CA 3.13Å; D223-G227 PolarHBondContact O-N 3.06Å; F224-G227 PolarHBondContact O-N 3.35Å; G227-A229 VanDerWaalsContact C-N 3.31Å; G227-A229 PolarHBondContact O-N 2.94Å; G227-L230 PolarHBondContact O-N 2.85Å; G227-Y231 WeakPolarHBondContact O-CB 3.4Å; G227-Y231 PolarHBondContact O-N 2.74Å
228S98.4Very high96.9Very high2 Ų242.3 Ų42.31%0.01420%0.196CC..Hα-helixtrans-59-43.4175.9-57.10000111.1F28 F224 I225 R226 L230 Y231 L232F28-S228 WeakPolarHBondContact CE2-OG 3.42Å; F224-S228 PolarHBondContact O-N 3.24Å; F224-S228 PolarHBondContact O-OG 2.95Å; I225-S228 PolarHBondContact O-N 3.43Å; R226-S228 VanDerWaalsContact C-N 3.32Å; R226-S228 PolarHBondContact O-N 2.94Å; S228-L230 PolarHBondContact O-N 3.19Å; S228-Y231 PolarHBondContact O-N 3.19Å; S228-L232 VanDerWaalsContact O-CB 3.3Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 WeakPolarHBondContact O-CG 3.45Å; S228-L232 PolarHBondContact O-N 3.47Å
229A98.4Very high96.8Very high20 Ų2046.8 Ų46.817%0.16522%0.216CC..Hα-helixtrans-60.9-44.317600000112.8I225 R226 G227 L232 E233 N286I225-A229 PolarHBondContact O-N 3.13Å; I225-A229 VanDerWaalsContact O-N 3.11Å; R226-A229 WeakPolarHBondContact O-CB 3.43Å; R226-A229 PolarHBondContact O-N 3.01Å; G227-A229 VanDerWaalsContact C-N 3.31Å; G227-A229 PolarHBondContact O-N 2.94Å; A229-L232 PolarHBondContact O-N 2.86Å; A229-E233 PolarHBondContact O-N 3.27Å; A229-N286 HydrophobicContact CB-CB 3.83Å
230L97.9Very high96.9Very high57 Ų5749.5 Ų49.530%0.29823%0.233SC..Hα-helixtrans-63.8-44.7176.9-67.9172.1000112F214 M216 R226 G227 S228 E233 H234F214-L230 HydrophobicContact CB-CB 4.12Å; F214-L230 HydrophobicContact CB-CD1 4.47Å; F214-L230 HydrophobicContact CB-CD2 4.44Å; F214-L230 HydrophobicContact CD2-CB 3.68Å; F214-L230 HydrophobicContact CD2-CD1 4.38Å; F214-L230 HydrophobicContact CE2-CB 4.41Å; F214-L230 HydrophobicContact CG-CB 3.98Å; M216-L230 HydrophobicContact CB-CD1 4.48Å; M216-L230 HydrophobicContact CE-CD1 3.41Å; M216-L230 VanDerWaalsContact CE-CD1 3.41Å; R226-L230 WeakPolarHBondContact O-CG 3.4Å; R226-L230 PolarHBondContact O-N 3.14Å; G227-L230 PolarHBondContact O-N 2.85Å; S228-L230 PolarHBondContact O-N 3.19Å; L230-E233 PolarHBondContact O-N 3.42Å; L230-H234 PolarHBondContact O-N 3.01Å
231Y98.1Very high96.8Very high38 Ų3852.4 Ų52.415%0.14925%0.246CC..Hα-helixtrans-64-40.8178-176.4-103.6000112.1F28 C29 H36 I112 F214 G227 S228 E233 H234 I235F28-Y231 HydrophobicContact CE1-CD1 4.23Å; F28-Y231 HydrophobicContact CE1-CD2 4.35Å; F28-Y231 AromaticContact CE1-CG 3.9Å; F28-Y231 HydrophobicContact CE1-CG 3.9Å; C29-Y231 HydrophobicContact CB-CD1 3.5Å; C29-Y231 VanDerWaalsContact CB-CD1 3.5Å; C29-Y231 HydrophobicContact CB-CE1 3.56Å; C29-Y231 WeakPolarHBondContact SG-CD1 3.27Å; H36-Y231 AromaticContact CE1-CZ 3.64Å; H36-Y231 PolarHBondContact CE1-OH 3.47Å; H36-Y231 AromaticContact ND1-CE2 3.99Å; H36-Y231 AromaticContact ND1-CZ 3.84Å; I112-Y231 HydrophobicContact CG2-CD2 4Å; F214-Y231 AromaticContact CZ-CD2 3.83Å; F214-Y231 HydrophobicContact CZ-CD2 3.83Å; G227-Y231 WeakPolarHBondContact O-CB 3.4Å; G227-Y231 PolarHBondContact O-N 2.74Å; S228-Y231 PolarHBondContact O-N 3.19Å; Y231-E233 VanDerWaalsContact C-N 3.33Å; Y231-E233 PolarHBondContact O-N 3.4Å; Y231-H234 WeakPolarHBondContact O-CB 3.46Å; Y231-H234 PolarHBondContact O-N 2.87Å; Y231-I235 HydrophobicContact CD1-CD1 3.56Å; Y231-I235 HydrophobicContact CD1-CG1 4.27Å; Y231-I235 HydrophobicContact CE1-CD1 3.2Å; Y231-I235 HydrophobicContact CE1-CG1 3.98Å; Y231-I235 WeakPolarHBondContact O-CG1 3.23Å; Y231-I235 PolarHBondContact O-N 3.29Å
232L98.2Very high96.6Very high0 Ų056 Ų560%027%0.265CS..Hα-helixtrans-65.2-36.7175.7-72.7176.6000112.4S228 A229 I235 R236 L243 N252 L254 N286 V288S228-L232 VanDerWaalsContact O-CB 3.3Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 WeakPolarHBondContact O-CG 3.45Å; S228-L232 PolarHBondContact O-N 3.47Å; A229-L232 PolarHBondContact O-N 2.86Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; L232-I235 PolarHBondContact O-N 3.32Å; L232-R236 PolarHBondContact O-N 3.45Å; L232-L243 HydrophobicContact CD2-CD2 4.05Å; L232-N252 HydrophobicContact CB-CB 3.8Å; L232-L254 HydrophobicContact CD2-CB 3.36Å; L232-L254 HydrophobicContact CD2-CD2 4.21Å; L232-L254 HydrophobicContact CD2-CG 4.38Å; L232-N286 HydrophobicContact CD1-CB 4.37Å; L232-V288 HydrophobicContact CD1-CG2 4.04Å; L232-V288 HydrophobicContact CD2-CG2 4.44Å; L232-V288 HydrophobicContact CG-CG2 4.5Å
233E97.9Very high96.6Very high78 Ų7850 Ų5036%0.36424%0.243SC..Hα-helixtrans-65.8-40.3172.6-177.556.8-159.400111.8A229 L230 Y231 R236 T237 N252A229-E233 PolarHBondContact O-N 3.27Å; L230-E233 PolarHBondContact O-N 3.42Å; Y231-E233 VanDerWaalsContact C-N 3.33Å; Y231-E233 PolarHBondContact O-N 3.4Å; E233-R236 VanDerWaalsContact CD-NE 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.42Å; E233-R236 PolarHBondContact O-N 2.93Å; E233-R236 IonicContact OE1-CZ 3.69Å; E233-R236 IonicContact OE1-NE 3.49Å; E233-R236 PolarHBondContact OE1-NE 3.47Å; E233-R236 IonicContact OE1-NH2 3.15Å; E233-R236 PolarHBondContact OE1-NH2 3.3Å; E233-R236 IonicContact OE2-NE 2.98Å; E233-R236 PolarHBondContact OE2-NE 3.05Å; E233-T237 PolarHBondContact O-N 3.5Å; E233-N252 PolarHBondContact OE2-ND2 2.97Å
234H96.6Very high96.6Very high40 Ų4049.8 Ų49.819%0.18524%0.243CC..Hα-helixtrans-58.5-50.3170.817185.5000111.2D114 F214 L230 Y231 R236 T237 T238D114-H234 IonicContact OD1-CD2 2.97Å; D114-H234 IonicContact OD1-CE1 2.65Å; D114-H234 PolarHBondContact OD1-CE1 3.21Å; D114-H234 IonicContact OD1-CG 2.69Å; D114-H234 VanDerWaalsContact OD1-CG 3.27Å; D114-H234 IonicContact OD1-ND1 3.91Å; D114-H234 PolarHBondContact OD1-ND1 2.56Å; D114-H234 IonicContact OD1-NE2 3.19Å; D114-H234 PolarHBondContact OD1-NE2 2.66Å; D114-H234 IonicContact OD2-CE1 3.23Å; D114-H234 PolarHBondContact OD2-CE1 3.14Å; D114-H234 IonicContact OD2-ND1 2.78Å; D114-H234 PolarHBondContact OD2-ND1 3.21Å; F214-H234 HydrophobicContact CD1-CB 3.79Å; F214-H234 HydrophobicContact CE1-CB 3.5Å; F214-H234 VanDerWaalsContact CE1-CB 3.5Å; F214-H234 AromaticContact CE1-CG 3.79Å; L230-H234 PolarHBondContact O-N 3.01Å; Y231-H234 WeakPolarHBondContact O-CB 3.46Å; Y231-H234 PolarHBondContact O-N 2.87Å; H234-R236 VanDerWaalsContact C-N 3.26Å; H234-R236 PolarHBondContact O-N 3.03Å; H234-T237 PolarHBondContact O-N 2.72Å; H234-T237 PolarHBondContact O-OG1 3.35Å; H234-T238 PolarHBondContact CD2-OG1 3.46Å; H234-T238 WeakPolarHBondContact CE1-CG2 3.11Å; H234-T238 PolarHBondContact NE2-OG1 3.45Å; H234-T238 PolarHBondContact O-N 2.82Å; H234-T238 PolarHBondContact O-OG1 3.06Å; H234-T238 VanDerWaalsContact O-OG1 3.11Å
235I95.9Very high96.3Very high5 Ų558.8 Ų58.83%0.02628%0.277CS..Hα-helixtrans-55.3-41.8176.8-71169.9000111.2Y231 L232 T237 T238 K239 L242 L243 L254Y231-I235 HydrophobicContact CD1-CD1 3.56Å; Y231-I235 HydrophobicContact CD1-CG1 4.27Å; Y231-I235 HydrophobicContact CE1-CD1 3.2Å; Y231-I235 HydrophobicContact CE1-CG1 3.98Å; Y231-I235 WeakPolarHBondContact O-CG1 3.23Å; Y231-I235 PolarHBondContact O-N 3.29Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; L232-I235 PolarHBondContact O-N 3.32Å; I235-T237 PolarHBondContact O-N 3.27Å; I235-T237 VanDerWaalsContact O-N 3.13Å; I235-T238 PolarHBondContact O-N 3.45Å; I235-K239 HydrophobicContact CG2-CB 4.35Å; I235-K239 VanDerWaalsContact CG2-O 3.29Å; I235-K239 WeakPolarHBondContact CG2-O 3.24Å; I235-K239 CarbonylContact O-C 3.53Å; I235-K239 WeakPolarHBondContact O-CA 3.3Å; I235-K239 PolarHBondContact O-N 2.84Å; I235-L242 HydrophobicContact CG2-CB 4.03Å; I235-L243 HydrophobicContact CB-CD2 4.36Å; I235-L243 HydrophobicContact CG2-CD1 4.44Å; I235-L243 HydrophobicContact CG2-CD2 3.75Å; I235-L243 HydrophobicContact CG2-CG 3.83Å; I235-L254 HydrophobicContact CD1-CD2 4.39Å
236R96.7Very high96.1Very high116 Ų11660.2 Ų60.244%0.43830%0.295SS..Hα-helixtrans-55-33.6177.6-168.1-167.264.274.5-1.4112.2L232 E233 H234 P240 L243 N252L232-R236 PolarHBondContact O-N 3.45Å; E233-R236 VanDerWaalsContact CD-NE 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.42Å; E233-R236 PolarHBondContact O-N 2.93Å; E233-R236 IonicContact OE1-CZ 3.69Å; E233-R236 IonicContact OE1-NE 3.49Å; E233-R236 PolarHBondContact OE1-NE 3.47Å; E233-R236 IonicContact OE1-NH2 3.15Å; E233-R236 PolarHBondContact OE1-NH2 3.3Å; E233-R236 IonicContact OE2-NE 2.98Å; E233-R236 PolarHBondContact OE2-NE 3.05Å; H234-R236 VanDerWaalsContact C-N 3.26Å; H234-R236 PolarHBondContact O-N 3.03Å; R236-P240 WeakPolarHBondContact O-CB 3.16Å; R236-L243 HydrophobicContact CB-CD1 3.72Å; R236-L243 HydrophobicContact CG-CD1 4.01Å; R236-N252 WeakPolarHBondContact CD-OD1 3.33Å; R236-N252 WeakPolarHBondContact CG-OD1 3.2Å
237T95.5Very high95.9Very high84 Ų8459.1 Ų59.152%0.51531%0.311SS..Hα-helixtrans-89.6-31.8-178.863.90000113.7E233 H234 I235E233-T237 PolarHBondContact O-N 3.5Å; H234-T237 PolarHBondContact O-N 2.72Å; H234-T237 PolarHBondContact O-OG1 3.35Å; I235-T237 PolarHBondContact O-N 3.27Å; I235-T237 VanDerWaalsContact O-N 3.13Å
238T94.8Very high95.8Very high67 Ų6762.1 Ų62.141%0.41133%0.325SS..Hα-helixtrans-104.4-32.8-172.658.60000114.3H234 I235H234-T238 PolarHBondContact CD2-OG1 3.46Å; H234-T238 WeakPolarHBondContact CE1-CG2 3.11Å; H234-T238 PolarHBondContact NE2-OG1 3.45Å; H234-T238 PolarHBondContact O-N 2.82Å; H234-T238 PolarHBondContact O-OG1 3.06Å; H234-T238 VanDerWaalsContact O-OG1 3.11Å; I235-T238 PolarHBondContact O-N 3.45Å
239K94.3Very high95.8Very high95 Ų9563.4 Ų63.441%0.41333%0.33SS..  trans-14556.1-175.5-60.2-178.8-170167.80111.8I235 E241 L242I235-K239 HydrophobicContact CG2-CB 4.35Å; I235-K239 VanDerWaalsContact CG2-O 3.29Å; I235-K239 WeakPolarHBondContact CG2-O 3.24Å; I235-K239 CarbonylContact O-C 3.53Å; I235-K239 WeakPolarHBondContact O-CA 3.3Å; I235-K239 PolarHBondContact O-N 2.84Å; K239-E241 WeakPolarHBondContact CA-OE1 3.37Å; K239-E241 WeakPolarHBondContact CA-OE2 3.46Å; K239-E241 WeakPolarHBondContact CB-OE1 3.33Å; K239-E241 PolarHBondContact O-N 2.8Å; K239-L242 HydrophobicContact CB-CD1 3.8Å; K239-L242 HydrophobicContact CB-CG 4.05Å; K239-L242 HydrophobicContact CD-CD1 3.85Å; K239-L242 HydrophobicContact CG-CD1 4.48Å; K239-L242 WeakPolarHBondContact O-CB 3.46Å; K239-L242 PolarHBondContact O-N 2.82Å
240P95.3Very high95.6Very high57 Ų5767.7 Ų67.737%0.3735%0.35SS..G310 helixtrans-60.9-17-174.824.7-34.8000114.4R236 L242 L243R236-P240 WeakPolarHBondContact O-CB 3.16Å; P240-L242 PolarHBondContact O-N 3.29Å; P240-L243 PolarHBondContact O-N 2.83Å
241E93.6Very high95.6Very high115 Ų11567.4 Ų67.454%0.53736%0.362SS..G310 helixtrans-66-22.1172.970.4-74172.800113.8K239 L243K239-E241 WeakPolarHBondContact CA-OE1 3.37Å; K239-E241 WeakPolarHBondContact CA-OE2 3.46Å; K239-E241 WeakPolarHBondContact CB-OE1 3.33Å; K239-E241 PolarHBondContact O-N 2.8Å; E241-L243 VanDerWaalsContact C-N 3.31Å
242L92.9Very high95.6Very high82 Ų8266.4 Ų66.443%0.42936%0.359SS..G310 helixtrans-78.1-16.9176.3-61.2-179.5000113I235 K239 P240 L254I235-L242 HydrophobicContact CG2-CB 4.03Å; K239-L242 HydrophobicContact CB-CD1 3.8Å; K239-L242 HydrophobicContact CB-CG 4.05Å; K239-L242 HydrophobicContact CD-CD1 3.85Å; K239-L242 HydrophobicContact CG-CD1 4.48Å; K239-L242 WeakPolarHBondContact O-CB 3.46Å; K239-L242 PolarHBondContact O-N 2.82Å; P240-L242 PolarHBondContact O-N 3.29Å; L242-L254 HydrophobicContact CB-CD1 4.36Å; L242-L254 WeakPolarHBondContact O-CD1 3.24Å
243L96.3Very high95.6Very high15 Ų1566.4 Ų66.48%0.07936%0.359CS..BIsolated β-bridgetrans-82.7141.2179.6-60.5-179.9000111.1L232 I235 R236 P240 E241 N252 V253 L254L232-L243 HydrophobicContact CD2-CD2 4.05Å; I235-L243 HydrophobicContact CB-CD2 4.36Å; I235-L243 HydrophobicContact CG2-CD1 4.44Å; I235-L243 HydrophobicContact CG2-CD2 3.75Å; I235-L243 HydrophobicContact CG2-CG 3.83Å; R236-L243 HydrophobicContact CB-CD1 3.72Å; R236-L243 HydrophobicContact CG-CD1 4.01Å; P240-L243 PolarHBondContact O-N 2.83Å; E241-L243 VanDerWaalsContact C-N 3.31Å; L243-N252 HydrophobicContact CD1-CB 4.3Å; L243-V253 CarbonylContact C-O 3.57Å; L243-V253 WeakPolarHBondContact CA-O 3.31Å; L243-L254 HydrophobicContact CD2-CB 4.49Å
244A95.5Very high95.5Very high10 Ų1063.5 Ų63.58%0.08335%0.346CS..  trans-62.8141.9177.900000111.5F249 V253 M255A244-F249 HydrophobicContact CB-CD1 4.03Å; A244-F249 HydrophobicContact CB-CD2 3.85Å; A244-F249 HydrophobicContact CB-CE1 4.01Å; A244-F249 HydrophobicContact CB-CE2 3.78Å; A244-F249 HydrophobicContact CB-CG 3.98Å; A244-F249 HydrophobicContact CB-CZ 3.88Å; A244-V253 HydrophobicContact CB-CB 4.23Å; A244-V253 HydrophobicContact CB-CG1 4.18Å; A244-V253 PolarHBondContact N-O 2.77Å; A244-M255 HydrophobicContact CB-CB 4.44Å
245R93Very high95.5Very high189 Ų18962.8 Ų62.871%0.71334%0.343SS*.  trans-123.7145.7179.4-59.8-177.9-176-177.10.7109.8F249R245-F249 WeakPolarHBondContact O-CD2 3.26Å
246G93.1Very high95.2Very high42 Ų4263.9 Ų63.943%0.43335%0.348SS..SBendtrans142.2158.1-177.600000111.3Q248 F249G246-Q248 PolarHBondContact O-N 3.03Å; G246-F249 PolarHBondContact O-N 3.23Å; G246-F249 VanDerWaalsContact O-N 3.11Å
247S94Very high94.4Very high130 Ų13062 Ų6291%0.90934%0.344SS*.THydrogen-bonded Turntrans-65.5-20.1-17752.20000113.9F249S247-F249 VanDerWaalsContact C-N 3.32Å
248Q95.6Very high93.2Very high63 Ų6363.3 Ų63.329%0.29435%0.347SS..THydrogen-bonded Turntrans-77.8-15.9176.170-84.825.100113.5G246 V277 C281 I283G246-Q248 PolarHBondContact O-N 3.03Å; Q248-V277 HydrophobicContact CG-CG1 4.48Å; Q248-C281 WeakPolarHBondContact CB-O 3.19Å; Q248-I283 PolarHBondContact O-N 3.15Å
249F97.3Very high91.8Very high29 Ų2962.7 Ų62.713%0.12735%0.345CS..BIsolated β-bridgetrans-99.5130.9-177.5-58.3-67.4000110.8A244 R245 G246 S247 V253 M255 V277 I283A244-F249 HydrophobicContact CB-CD1 4.03Å; A244-F249 HydrophobicContact CB-CD2 3.85Å; A244-F249 HydrophobicContact CB-CE1 4.01Å; A244-F249 HydrophobicContact CB-CE2 3.78Å; A244-F249 HydrophobicContact CB-CG 3.98Å; A244-F249 HydrophobicContact CB-CZ 3.88Å; R245-F249 WeakPolarHBondContact O-CD2 3.26Å; G246-F249 PolarHBondContact O-N 3.23Å; G246-F249 VanDerWaalsContact O-N 3.11Å; S247-F249 VanDerWaalsContact C-N 3.32Å; F249-V253 HydrophobicContact CB-CG2 4.37Å; F249-V253 HydrophobicContact CD1-CB 4.05Å; F249-V253 HydrophobicContact CD1-CG1 3.82Å; F249-V253 HydrophobicContact CD1-CG2 4.1Å; F249-V253 HydrophobicContact CE1-CG1 4.07Å; F249-M255 HydrophobicContact CZ-CE 4.43Å; F249-M255 HydrophobicContact CZ-SD 4.36Å; F249-V277 HydrophobicContact CE1-CG2 4.34Å; F249-V277 HydrophobicContact CZ-CG2 4.26Å; F249-I283 CarbonylContact C-O 3.54Å; F249-I283 WeakPolarHBondContact CA-O 3.28Å; F249-I283 HydrophobicContact CD1-CB 3.72Å; F249-I283 HydrophobicContact CD1-CG1 4.36Å; F249-I283 HydrophobicContact CD1-CG2 3.99Å; F249-I283 HydrophobicContact CE1-CB 3.99Å; F249-I283 HydrophobicContact CE1-CG1 4.21Å; F249-I283 HydrophobicContact CE1-CG2 4.11Å
250N95.6Very high90.9Very high109 Ų10962.5 Ų62.558%0.58335%0.348SS*.  trans-122.8123.6177.9-173.9-56.1000110I283 G284 P285N250-I283 PolarHBondContact N-O 3.18Å; N250-G284 CarbonylContact O-C 3.57Å; N250-G284 VanDerWaalsContact O-C 3.3Å; N250-G284 VanDerWaalsContact O-CA 3.24Å; N250-G284 WeakPolarHBondContact O-CA 3.41Å; N250-P285 WeakPolarHBondContact O-CA 3.28Å
251G96.6Very high89.7Confident52 Ų5267.4 Ų67.454%0.53636%0.364SS..SBendtrans67.8-151.7-175.800000112.3V253G251-V253 PolarHBondContact O-N 2.82Å
252N98.1Very high88.8Confident16 Ų1665.2 Ų65.29%0.08637%0.366CS..  trans-82.2118.7-174.6-55.8-32.6000111.1L232 E233 R236 L243 N286 V287L232-N252 HydrophobicContact CB-CB 3.8Å; E233-N252 PolarHBondContact OE2-ND2 2.97Å; R236-N252 WeakPolarHBondContact CD-OD1 3.33Å; R236-N252 WeakPolarHBondContact CG-OD1 3.2Å; L243-N252 HydrophobicContact CD1-CB 4.3Å; N252-N286 VanDerWaalsContact O-CA 3.26Å; N252-N286 WeakPolarHBondContact O-CA 3.3Å; N252-N286 PolarHBondContact O-N 3.21Å; N252-V287 PolarHBondContact O-N 3.11Å
253V98.3Very high87.6Confident0 Ų065.2 Ų65.20%037%0.366CS..EExtended strand (participates in β ladder)trans-130.8122.4174.4-179.60000108.7L243 A244 F249 G251 I283 V287 I289L243-V253 CarbonylContact C-O 3.57Å; L243-V253 WeakPolarHBondContact CA-O 3.31Å; A244-V253 HydrophobicContact CB-CB 4.23Å; A244-V253 HydrophobicContact CB-CG1 4.18Å; A244-V253 PolarHBondContact N-O 2.77Å; F249-V253 HydrophobicContact CB-CG2 4.37Å; F249-V253 HydrophobicContact CD1-CB 4.05Å; F249-V253 HydrophobicContact CD1-CG1 3.82Å; F249-V253 HydrophobicContact CD1-CG2 4.1Å; F249-V253 HydrophobicContact CE1-CG1 4.07Å; G251-V253 PolarHBondContact O-N 2.82Å; V253-I283 HydrophobicContact CG1-CG2 3.82Å; V253-I283 HydrophobicContact CG2-CG2 4.1Å; V253-I283 WeakPolarHBondContact CG2-O 3.42Å; V253-V287 CarbonylContact C-O 3.59Å; V253-V287 WeakPolarHBondContact CA-O 3.33Å; V253-V287 HydrophobicContact CG1-CB 4.29Å; V253-V287 HydrophobicContact CG1-CG1 4.44Å; V253-V287 HydrophobicContact CG2-CB 4.34Å; V253-I289 HydrophobicContact CG1-CD1 4.31Å
254L97.5Very high86.3Confident18 Ų1864.8 Ų64.89%0.09436%0.364CS..EExtended strand (participates in β ladder)trans-102.5130.817117968000108.7C29 L232 I235 L242 L243 V287 V288 I289C29-L254 HydrophobicContact CB-CD2 3.83Å; C29-L254 WeakPolarHBondContact O-CD2 3.47Å; L232-L254 HydrophobicContact CD2-CB 3.36Å; L232-L254 HydrophobicContact CD2-CD2 4.21Å; L232-L254 HydrophobicContact CD2-CG 4.38Å; I235-L254 HydrophobicContact CD1-CD2 4.39Å; L242-L254 HydrophobicContact CB-CD1 4.36Å; L242-L254 WeakPolarHBondContact O-CD1 3.24Å; L243-L254 HydrophobicContact CD2-CB 4.49Å; L254-V287 PolarHBondContact N-O 3.32Å; L254-V288 CarbonylContact O-C 3.52Å; L254-V288 VanDerWaalsContact O-CA 3.31Å; L254-V288 WeakPolarHBondContact O-CA 3.25Å; L254-I289 PolarHBondContact O-N 3.35Å
255M95.1Very high84.9Confident25 Ų2567 Ų6712%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-138.5140.3-178.3179.3173.882.200109.2A244 F249 Q257 A275 V277 I289A244-M255 HydrophobicContact CB-CB 4.44Å; F249-M255 HydrophobicContact CZ-CE 4.43Å; F249-M255 HydrophobicContact CZ-SD 4.36Å; M255-Q257 HydrophobicContact CE-CG 3.89Å; M255-Q257 PolarHBondContact O-N 3.04Å; M255-A275 HydrophobicContact CG-CB 3.43Å; M255-A275 VanDerWaalsContact CG-CB 3.43Å; M255-A275 HydrophobicContact SD-CB 3.88Å; M255-V277 HydrophobicContact SD-CG2 3.75Å; M255-I289 CarbonylContact C-O 3.53Å; M255-I289 WeakPolarHBondContact CA-O 3.36Å; M255-I289 HydrophobicContact CB-CB 4.11Å; M255-I289 HydrophobicContact CB-CD1 4.37Å; M255-I289 HydrophobicContact CG-CB 3.88Å; M255-I289 HydrophobicContact CG-CD1 4.24Å; M255-I289 HydrophobicContact CG-CG2 4.08Å; M255-I289 HydrophobicContact SD-CD1 4.09Å
256Q89.7Confident83.7Confident27 Ų2761.7 Ų61.713%0.12637%0.373CS..  trans-63.4112.8170.6-176.86557.600109.5N30 F268 A275 I289 P291N30-Q256 PolarHBondContact ND2-N 3.11Å; Q256-F268 HydrophobicContact CG-CZ 4.44Å; Q256-A275 HydrophobicContact CB-CB 4.47Å; Q256-A275 PolarHBondContact O-N 3.46Å; Q256-I289 PolarHBondContact N-O 2.69Å; Q256-P291 HydrophobicContact CB-CB 4.29Å; Q256-P291 HydrophobicContact CG-CB 3.93Å
257Q80.8Confident82.4Confident77 Ų7764 Ų6436%0.3638%0.375SS..  trans-113.4158.6176.3-66.8178.71100110.1M255 C259 W264M255-Q257 HydrophobicContact CE-CG 3.89Å; M255-Q257 PolarHBondContact O-N 3.04Å; Q257-C259 PolarHBondContact O-N 3.1Å; Q257-W264 VanDerWaalsContact O-CZ3 3.31Å; Q257-W264 WeakPolarHBondContact O-CZ3 3.4Å
258L70.2Confident81.1Confident112 Ų11259.9 Ų59.959%0.58634%0.341SS*.  trans-54.6123.4166.6-86.9144.5000109.9W264 T274L258-W264 HydrophobicContact CB-CZ3 4.5Å; L258-W264 HydrophobicContact CD2-CD2 4.03Å; L258-W264 HydrophobicContact CD2-CE3 4.2Å; L258-W264 HydrophobicContact CD2-CH2 4.2Å; L258-W264 HydrophobicContact CD2-CZ2 4.02Å; L258-W264 HydrophobicContact CD2-CZ3 4.33Å; L258-W264 HydrophobicContact CG-CH2 4.1Å; L258-W264 HydrophobicContact CG-CZ2 4.35Å; L258-W264 HydrophobicContact CG-CZ3 4.26Å; L258-T274 WeakPolarHBondContact CD1-OG1 3.43Å; L258-T274 VanDerWaalsContact CG-OG1 3.23Å; L258-T274 WeakPolarHBondContact CG-OG1 3.28Å
259C66.1Low80.1Confident53 Ų5358.3 Ų58.336%0.35834%0.341SS..  trans-94.2-171.7164.759.50000109.8Q257 W264Q257-C259 PolarHBondContact O-N 3.1Å; C259-W264 PolarHBondContact SG-N 2.79Å; C259-W264 VanDerWaalsContact SG-N 3.39Å
260N74.1Confident78.9Confident91 Ų9162.9 Ų62.949%0.48737%0.372SS..  trans-59.8151.1173.472.763.2000110.3A262 D263 W264N260-A262 VanDerWaalsContact C-N 3.28Å; N260-A262 PolarHBondContact O-N 3.5Å; N260-A262 PolarHBondContact OD1-N 3.27Å; N260-D263 VanDerWaalsContact ND2-CG 3.33Å; N260-D263 PolarHBondContact ND2-OD2 3.37Å; N260-D263 PolarHBondContact O-N 2.91Å; N260-D263 WeakPolarHBondContact OD1-CB 3.29Å; N260-D263 PolarHBondContact OD1-N 3.44Å; N260-W264 WeakPolarHBondContact O-CB 3.41Å; N260-W264 PolarHBondContact O-N 3.47Å
261F71.2Confident77.9Confident160 Ų16063.3 Ų63.370%0.70237%0.37SS*.Hα-helixtrans-60.6-35.2-170-175.3-102.7000113.6W264 V265F261-W264 PolarHBondContact O-N 3.38Å; F261-V265 HydrophobicContact CD1-CG2 4.15Å; F261-V265 HydrophobicContact CD2-CG2 4.33Å; F261-V265 HydrophobicContact CE1-CG2 3.74Å; F261-V265 HydrophobicContact CE2-CG2 3.93Å; F261-V265 HydrophobicContact CG-CG2 4.43Å; F261-V265 HydrophobicContact CZ-CG2 3.62Å; F261-V265 WeakPolarHBondContact O-CB 3.44Å; F261-V265 VanDerWaalsContact O-CG2 3.31Å; F261-V265 WeakPolarHBondContact O-CG2 3.17Å; F261-V265 PolarHBondContact O-N 2.81Å
262A73.4Confident77.1Confident69 Ų6965.3 Ų65.357%0.5737%0.369SS*.Hα-helixtrans-66.9-50.1179.600000111.4N260 W264 V265 A266N260-A262 VanDerWaalsContact C-N 3.28Å; N260-A262 PolarHBondContact O-N 3.5Å; N260-A262 PolarHBondContact OD1-N 3.27Å; A262-W264 VanDerWaalsContact C-N 3.25Å; A262-W264 PolarHBondContact O-N 3.39Å; A262-V265 PolarHBondContact O-N 3.49Å; A262-A266 WeakPolarHBondContact O-CB 3.13Å; A262-A266 PolarHBondContact O-N 2.81Å
263D68Low76.4Confident82 Ų8268.7 Ų68.744%0.43938%0.38SS..Hα-helixtrans-62.2-36.7175.5-68.9-14.2000111N260 A266 N267N260-D263 VanDerWaalsContact ND2-CG 3.33Å; N260-D263 PolarHBondContact ND2-OD2 3.37Å; N260-D263 PolarHBondContact O-N 2.91Å; N260-D263 WeakPolarHBondContact OD1-CB 3.29Å; N260-D263 PolarHBondContact OD1-N 3.44Å; D263-A266 PolarHBondContact O-N 2.87Å; D263-N267 WeakPolarHBondContact O-CB 3.08Å; D263-N267 PolarHBondContact O-N 3.49Å; D263-N267 PolarHBondContact O-ND2 3.11Å
264W69.4Low75.9Confident7 Ų769.8 Ų69.83%0.02739%0.387CS..Hα-helixtrans-63.4-50.9177.1-174.1-89.7000111.9Q257 L258 C259 N260 F261 A262 A266 N267 F268 G269 Q271 R273 T274Q257-W264 VanDerWaalsContact O-CZ3 3.31Å; Q257-W264 WeakPolarHBondContact O-CZ3 3.4Å; L258-W264 HydrophobicContact CB-CZ3 4.5Å; L258-W264 HydrophobicContact CD2-CD2 4.03Å; L258-W264 HydrophobicContact CD2-CE3 4.2Å; L258-W264 HydrophobicContact CD2-CH2 4.2Å; L258-W264 HydrophobicContact CD2-CZ2 4.02Å; L258-W264 HydrophobicContact CD2-CZ3 4.33Å; L258-W264 HydrophobicContact CG-CH2 4.1Å; L258-W264 HydrophobicContact CG-CZ2 4.35Å; L258-W264 HydrophobicContact CG-CZ3 4.26Å; C259-W264 PolarHBondContact SG-N 2.79Å; C259-W264 VanDerWaalsContact SG-N 3.39Å; N260-W264 WeakPolarHBondContact O-CB 3.41Å; N260-W264 PolarHBondContact O-N 3.47Å; F261-W264 PolarHBondContact O-N 3.38Å; A262-W264 VanDerWaalsContact C-N 3.25Å; A262-W264 PolarHBondContact O-N 3.39Å; W264-A266 VanDerWaalsContact C-N 3.28Å; W264-A266 PolarHBondContact O-N 3.11Å; W264-N267 PolarHBondContact O-N 2.84Å; W264-F268 HydrophobicContact CD2-CB 4.37Å; W264-F268 AromaticContact CD2-CD2 3.73Å; W264-F268 HydrophobicContact CD2-CD2 3.73Å; W264-F268 HydrophobicContact CD2-CG 4.44Å; W264-F268 AromaticContact CE3-CD2 3.53Å; W264-F268 HydrophobicContact CE3-CD2 3.53Å; W264-F268 AromaticContact CE3-CE2 3.91Å; W264-F268 HydrophobicContact CE3-CE2 3.91Å; W264-F268 HydrophobicContact CG-CD2 4.27Å; W264-F268 AromaticContact CZ3-CD2 3.9Å; W264-F268 HydrophobicContact CZ3-CD2 3.9Å; W264-F268 HydrophobicContact CZ3-CE2 4.07Å; W264-F268 WeakPolarHBondContact O-CA 3.33Å; W264-F268 WeakPolarHBondContact O-CB 3.23Å; W264-F268 PolarHBondContact O-N 2.6Å; W264-G269 VanDerWaalsContact CD1-O 3.31Å; W264-G269 PolarHBondContact O-N 3.45Å; W264-Q271 PolarHBondContact NE1-O 2.97Å; W264-R273 HydrophobicContact CH2-CB 4.48Å; W264-R273 HydrophobicContact CZ2-CB 4.28Å; W264-T274 VanDerWaalsContact CH2-OG1 3.27Å; W264-T274 WeakPolarHBondContact CH2-OG1 3.3Å
265V64.9Low75.8Confident56 Ų5669.1 Ų69.134%0.33938%0.384SS..Hα-helixtrans-62.6-39.1179.6171.50000110.8F261 A262 N267 G269F261-V265 HydrophobicContact CD1-CG2 4.15Å; F261-V265 HydrophobicContact CD2-CG2 4.33Å; F261-V265 HydrophobicContact CE1-CG2 3.74Å; F261-V265 HydrophobicContact CE2-CG2 3.93Å; F261-V265 HydrophobicContact CG-CG2 4.43Å; F261-V265 HydrophobicContact CZ-CG2 3.62Å; F261-V265 WeakPolarHBondContact O-CB 3.44Å; F261-V265 VanDerWaalsContact O-CG2 3.31Å; F261-V265 WeakPolarHBondContact O-CG2 3.17Å; F261-V265 PolarHBondContact O-N 2.81Å; A262-V265 PolarHBondContact O-N 3.49Å; V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 2.98Å; V265-G269 WeakPolarHBondContact CA-O 3.31Å; V265-G269 VanDerWaalsContact O-CA 3.3Å; V265-G269 WeakPolarHBondContact O-CA 3.19Å; V265-G269 PolarHBondContact O-N 2.9Å
266A68.9Low75.8Confident78 Ų7872.9 Ų72.965%0.64540%0.4SS*.Hα-helixtrans-62.5-38.7176.100000112.9A262 D263 W264A262-A266 WeakPolarHBondContact O-CB 3.13Å; A262-A266 PolarHBondContact O-N 2.81Å; D263-A266 PolarHBondContact O-N 2.87Å; W264-A266 VanDerWaalsContact C-N 3.28Å; W264-A266 PolarHBondContact O-N 3.11Å
267N65.1Low76.1Confident90 Ų9073.3 Ų73.348%0.48140%0.404SS..Hα-helixtrans-93.7-34.1-174.7-72.6-65.6000114.5D263 W264 V265D263-N267 WeakPolarHBondContact O-CB 3.08Å; D263-N267 PolarHBondContact O-N 3.49Å; D263-N267 PolarHBondContact O-ND2 3.11Å; W264-N267 PolarHBondContact O-N 2.84Å; V265-N267 VanDerWaalsContact C-N 3.34Å; V265-N267 PolarHBondContact O-N 2.98Å
268F67.5Low76.9Confident43 Ų4370.7 Ų70.719%0.18940%0.398CS..Hα-helixtrans-127.8-5.6-168.2-54.5-67.7000114Q256 W264 P291Q256-F268 HydrophobicContact CG-CZ 4.44Å; W264-F268 HydrophobicContact CD2-CB 4.37Å; W264-F268 AromaticContact CD2-CD2 3.73Å; W264-F268 HydrophobicContact CD2-CD2 3.73Å; W264-F268 HydrophobicContact CD2-CG 4.44Å; W264-F268 AromaticContact CE3-CD2 3.53Å; W264-F268 HydrophobicContact CE3-CD2 3.53Å; W264-F268 AromaticContact CE3-CE2 3.91Å; W264-F268 HydrophobicContact CE3-CE2 3.91Å; W264-F268 HydrophobicContact CG-CD2 4.27Å; W264-F268 AromaticContact CZ3-CD2 3.9Å; W264-F268 HydrophobicContact CZ3-CD2 3.9Å; W264-F268 HydrophobicContact CZ3-CE2 4.07Å; W264-F268 WeakPolarHBondContact O-CA 3.33Å; W264-F268 WeakPolarHBondContact O-CB 3.23Å; W264-F268 PolarHBondContact O-N 2.6Å; F268-P291 HydrophobicContact CE1-CB 4.32Å
269G74.1Confident78.1Confident30 Ų3068.6 Ų68.631%0.30939%0.392SS..THydrogen-bonded Turntrans71.4-154.9-172.800000112.5W264 V265W264-G269 VanDerWaalsContact CD1-O 3.31Å; W264-G269 PolarHBondContact O-N 3.45Å; V265-G269 WeakPolarHBondContact CA-O 3.31Å; V265-G269 VanDerWaalsContact O-CA 3.3Å; V265-G269 WeakPolarHBondContact O-CA 3.19Å; V265-G269 PolarHBondContact O-N 2.9Å
270T73.2Confident79.6Confident125 Ų12573 Ų7377%0.76741%0.412SS*.THydrogen-bonded Turntrans-86.7-4.8-177.255.90000114
271Q73.6Confident80.7Confident118 Ų11868.9 Ų68.955%0.55139%0.39SS*.SBendtrans-78.1138.4179.9-70.4179.2-15.200110.8W264 R273W264-Q271 PolarHBondContact NE1-O 2.97Å; Q271-R273 HydrophobicContact CB-CG 4.37Å; Q271-R273 PolarHBondContact O-N 3.17Å; Q271-R273 VanDerWaalsContact O-N 3.15Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å
272D79.2Confident82Confident95 Ų9570.4 Ų70.451%0.50839%0.391SS..  trans-74.9102.4169.6-176.710.8000110.2T274D272-T274 WeakPolarHBondContact OD1-CB 3.48Å; D272-T274 PolarHBondContact OD1-N 3.15Å; D272-T274 PolarHBondContact OD1-OG1 3.2Å
273R83.6Confident83.2Confident87 Ų8767.1 Ų67.133%0.32836%0.364SS..  trans-102.824.9173.1-59.7-169174.7-171.7-1.3112.9W264 Q271 P291 G292W264-R273 HydrophobicContact CH2-CB 4.48Å; W264-R273 HydrophobicContact CZ2-CB 4.28Å; Q271-R273 HydrophobicContact CB-CG 4.37Å; Q271-R273 PolarHBondContact O-N 3.17Å; Q271-R273 VanDerWaalsContact O-N 3.15Å; Q271-R273 VanDerWaalsContact OE1-NH2 3.08Å; R273-P291 HydrophobicContact CB-CB 4.05Å; R273-P291 CarbonylContact O-C 3.43Å; R273-P291 WeakPolarHBondContact O-CA 3.23Å; R273-G292 PolarHBondContact O-N 3.5Å
274T89.3Confident84.7Confident23 Ų2363.4 Ų63.414%0.14135%0.345CS..  trans-67.2134.5174.1-52.20000109.4L258 W264 D272L258-T274 WeakPolarHBondContact CD1-OG1 3.43Å; L258-T274 VanDerWaalsContact CG-OG1 3.23Å; L258-T274 WeakPolarHBondContact CG-OG1 3.28Å; W264-T274 VanDerWaalsContact CH2-OG1 3.27Å; W264-T274 WeakPolarHBondContact CH2-OG1 3.3Å; D272-T274 WeakPolarHBondContact OD1-CB 3.48Å; D272-T274 PolarHBondContact OD1-N 3.15Å; D272-T274 PolarHBondContact OD1-OG1 3.2Å
275A94Very high86Confident4 Ų464.9 Ų64.93%0.03336%0.355CS..  trans-71.4140.1171.600000110.7M255 Q256 I289 V293M255-A275 HydrophobicContact CG-CB 3.43Å; M255-A275 VanDerWaalsContact CG-CB 3.43Å; M255-A275 HydrophobicContact SD-CB 3.88Å; Q256-A275 HydrophobicContact CB-CB 4.47Å; Q256-A275 PolarHBondContact O-N 3.46Å; A275-I289 HydrophobicContact CB-CB 4.46Å; A275-I289 HydrophobicContact CB-CG2 3.48Å; A275-I289 VanDerWaalsContact CB-CG2 3.48Å; A275-V293 CarbonylContact C-O 3.54Å; A275-V293 VanDerWaalsContact CA-O 3.3Å; A275-V293 WeakPolarHBondContact CA-O 3.4Å; A275-V293 HydrophobicContact CB-CB 4.43Å
276K95.5Very high87.6Confident104 Ų10463.5 Ų63.545%0.45235%0.346SS..EExtended strand (participates in β ladder)trans-118138.4-175.7-61.2173.3-168.2161.90109.9V293 E294 I295K276-V293 PolarHBondContact N-O 3.2Å; K276-E294 IonicContact NZ-OE1 3.27Å; K276-E294 PolarHBondContact NZ-OE1 2.86Å; K276-I295 PolarHBondContact O-N 2.99Å
277V96.9Very high89.1Confident36 Ų3659.8 Ų59.822%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-126.4123.9178.2-177.90000108.8Q248 F249 M255 C281 I283 I289 I295Q248-V277 HydrophobicContact CG-CG1 4.48Å; F249-V277 HydrophobicContact CE1-CG2 4.34Å; F249-V277 HydrophobicContact CZ-CG2 4.26Å; M255-V277 HydrophobicContact SD-CG2 3.75Å; V277-C281 HydrophobicContact CG1-CB 3.66Å; V277-I283 HydrophobicContact CG1-CD1 4.49Å; V277-I283 HydrophobicContact CG1-CG1 4.01Å; V277-I289 HydrophobicContact CG2-CD1 4.26Å; V277-I295 CarbonylContact C-O 3.33Å; V277-I295 HydrophobicContact CG1-CG2 4.45Å; V277-I295 HydrophobicContact CG2-CD1 4.2Å
278G96.3Very high90.7Very high22 Ų2255.5 Ų55.523%0.22729%0.292CS..  trans-67.5174.417800000113.4C281 I295 D297G278-C281 PolarHBondContact O-SG 2.77Å; G278-I295 PolarHBondContact N-O 2.99Å; G278-D297 WeakPolarHBondContact CA-OD1 3.37Å
279S96.7Very high92.1Very high67 Ų6753.4 Ų53.447%0.46928%0.283SS..THydrogen-bonded Turntrans-65.7156.5175.668.20000112C281 D297 G298S279-C281 PolarHBondContact O-N 2.91Å; S279-D297 PolarHBondContact N-OD1 3.36Å; S279-D297 CarbonylContact O-C 3.59Å; S279-D297 VanDerWaalsContact O-CA 3.31Å; S279-D297 WeakPolarHBondContact O-CA 3.2Å; S279-D297 PolarHBondContact OG-OD1 2.88Å; S279-G298 PolarHBondContact O-N 2.99Å
280L96.4Very high93.3Very high147 Ų14752 Ų5277%0.7727%0.269SS*.THydrogen-bonded Turntrans59.68.9174.8-52.6176.1000115.8
281C98.4Very high94.3Very high4 Ų447.2 Ų47.23%0.02724%0.24CC..  trans-66.1153.9175.4-66.40000112.1Q248 V277 G278 S279 I283 R296 V299Q248-C281 WeakPolarHBondContact CB-O 3.19Å; V277-C281 HydrophobicContact CG1-CB 3.66Å; G278-C281 PolarHBondContact O-SG 2.77Å; S279-C281 PolarHBondContact O-N 2.91Å; C281-I283 HydrophobicContact CB-CD1 3.83Å; C281-I283 HydrophobicContact CB-CG1 3.98Å; C281-R296 PolarHBondContact SG-O 2.87Å; C281-V299 CarbonylContact C-O 3.6Å; C281-V299 VanDerWaalsContact CA-O 3.24Å; C281-V299 WeakPolarHBondContact CA-O 3.22Å; C281-V299 WeakPolarHBondContact CB-O 3.21Å
282R98.5Very high95.3Very high192 Ų19242.4 Ų42.473%0.72522%0.222SC*.EExtended strand (participates in β ladder)trans-128.3100.1168.7-62.5-175.4-174.9-1562.1109.3V299 C300 L301R282-V299 PolarHBondContact N-O 3.27Å; R282-C300 CarbonylContact O-C 3.05Å; R282-C300 VanDerWaalsContact O-CA 3.28Å; R282-C300 WeakPolarHBondContact O-CA 3.35Å; R282-L301 PolarHBondContact O-N 2.94Å
283I98.6Very high96.2Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-110.3124.7-170.7-50.6-52.2000109.2Q248 F249 N250 V253 V277 C281 V287 I289 I295 L301Q248-I283 PolarHBondContact O-N 3.15Å; F249-I283 CarbonylContact C-O 3.54Å; F249-I283 WeakPolarHBondContact CA-O 3.28Å; F249-I283 HydrophobicContact CD1-CB 3.72Å; F249-I283 HydrophobicContact CD1-CG1 4.36Å; F249-I283 HydrophobicContact CD1-CG2 3.99Å; F249-I283 HydrophobicContact CE1-CB 3.99Å; F249-I283 HydrophobicContact CE1-CG1 4.21Å; F249-I283 HydrophobicContact CE1-CG2 4.11Å; N250-I283 PolarHBondContact N-O 3.18Å; V253-I283 HydrophobicContact CG1-CG2 3.82Å; V253-I283 HydrophobicContact CG2-CG2 4.1Å; V253-I283 WeakPolarHBondContact CG2-O 3.42Å; V277-I283 HydrophobicContact CG1-CD1 4.49Å; V277-I283 HydrophobicContact CG1-CG1 4.01Å; C281-I283 HydrophobicContact CB-CD1 3.83Å; C281-I283 HydrophobicContact CB-CG1 3.98Å; I283-V287 HydrophobicContact CG2-CB 4.03Å; I283-V287 HydrophobicContact CG2-CG1 3.74Å; I283-V287 HydrophobicContact CG2-CG2 4.39Å; I283-I289 HydrophobicContact CG2-CD1 3.99Å; I283-I295 HydrophobicContact CD1-CG2 4.37Å; I283-L301 HydrophobicContact CD1-CB 4.14Å; I283-L301 HydrophobicContact CD1-CD1 3.91Å; I283-L301 HydrophobicContact CD1-CG 3.81Å; I283-L301 HydrophobicContact CG2-CB 4.4Å; I283-L301 HydrophobicContact CG2-CD1 4.42Å
284G98.3Very high96.9Very high4 Ų436.4 Ų36.44%0.04120%0.195CC..  trans104.7168.3178.900000114.1N250 L301 K302N250-G284 CarbonylContact O-C 3.57Å; N250-G284 VanDerWaalsContact O-C 3.3Å; N250-G284 VanDerWaalsContact O-CA 3.24Å; N250-G284 WeakPolarHBondContact O-CA 3.41Å; G284-L301 CarbonylContact C-O 3.56Å; G284-L301 WeakPolarHBondContact CA-O 3.46Å; G284-L301 PolarHBondContact N-O 3.23Å; G284-K302 WeakPolarHBondContact O-CG 3.28Å
285P98.2Very high97.3Very high37 Ų3735.5 Ų35.524%0.2419%0.189CC..SBendcis-81.2167.510.434.4-38000113.8N250 H303N250-P285 WeakPolarHBondContact O-CA 3.28Å; P285-H303 PolarHBondContact O-N 3.04Å
286N98.4Very high97.5Very high27 Ų2740.6 Ų40.614%0.14421%0.208CC..SBendtrans58.351171.5-52.5-50.8000113.3A229 L232 N252 H303 T304A229-N286 HydrophobicContact CB-CB 3.83Å; L232-N286 HydrophobicContact CD1-CB 4.37Å; N252-N286 VanDerWaalsContact O-CA 3.26Å; N252-N286 WeakPolarHBondContact O-CA 3.3Å; N252-N286 PolarHBondContact O-N 3.21Å; N286-H303 PolarHBondContact ND2-CE1 3.43Å; N286-H303 VanDerWaalsContact ND2-CE1 3.29Å; N286-H303 PolarHBondContact ND2-ND1 3.11Å; N286-H303 CarbonylContact O-C 3.56Å; N286-H303 WeakPolarHBondContact O-CA 3.32Å; N286-H303 PolarHBondContact O-N 3Å; N286-T304 PolarHBondContact O-N 3.34Å
287V98.8Very high97.7Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-110.6135.5179.1171.40000110.1N252 V253 L254 I283 I289 L301 T304N252-V287 PolarHBondContact O-N 3.11Å; V253-V287 CarbonylContact C-O 3.59Å; V253-V287 WeakPolarHBondContact CA-O 3.33Å; V253-V287 HydrophobicContact CG1-CB 4.29Å; V253-V287 HydrophobicContact CG1-CG1 4.44Å; V253-V287 HydrophobicContact CG2-CB 4.34Å; L254-V287 PolarHBondContact N-O 3.32Å; I283-V287 HydrophobicContact CG2-CB 4.03Å; I283-V287 HydrophobicContact CG2-CG1 3.74Å; I283-V287 HydrophobicContact CG2-CG2 4.39Å; V287-I289 HydrophobicContact CG1-CD1 4.21Å; V287-I289 HydrophobicContact CG1-CG1 3.79Å; V287-L301 HydrophobicContact CG1-CB 4.22Å; V287-L301 HydrophobicContact CG1-CD1 4.06Å; V287-L301 HydrophobicContact CG2-CB 3.79Å; V287-T304 VanDerWaalsContact CA-O 3.28Å; V287-T304 WeakPolarHBondContact CA-O 3.36Å
288V98.7Very high97.7Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-116.3125.6173.6177.80000108.3C29 N30 L232 L254 T304 T305 I306C29-V288 HydrophobicContact CB-CG2 4.5Å; N30-V288 VanDerWaalsContact OD1-CG1 3.24Å; N30-V288 WeakPolarHBondContact OD1-CG1 3.22Å; L232-V288 HydrophobicContact CD1-CG2 4.04Å; L232-V288 HydrophobicContact CD2-CG2 4.44Å; L232-V288 HydrophobicContact CG-CG2 4.5Å; L254-V288 CarbonylContact O-C 3.52Å; L254-V288 VanDerWaalsContact O-CA 3.31Å; L254-V288 WeakPolarHBondContact O-CA 3.25Å; V288-T304 PolarHBondContact N-O 3.31Å; V288-T305 HydrophobicContact CB-CG2 4.17Å; V288-T305 HydrophobicContact CG1-CG2 4.28Å; V288-T305 WeakPolarHBondContact O-CA 3.44Å; V288-I306 PolarHBondContact O-N 2.99Å
289I98.5Very high97.8Very high0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-119.5112.6-179.3-56.6168.5000109N30 V253 L254 M255 Q256 A275 V277 I283 V287 V293 I295 I306N30-I289 PolarHBondContact ND2-O 3.17Å; N30-I289 PolarHBondContact OD1-O 3.05Å; V253-I289 HydrophobicContact CG1-CD1 4.31Å; L254-I289 PolarHBondContact O-N 3.35Å; M255-I289 CarbonylContact C-O 3.53Å; M255-I289 WeakPolarHBondContact CA-O 3.36Å; M255-I289 HydrophobicContact CB-CB 4.11Å; M255-I289 HydrophobicContact CB-CD1 4.37Å; M255-I289 HydrophobicContact CG-CB 3.88Å; M255-I289 HydrophobicContact CG-CD1 4.24Å; M255-I289 HydrophobicContact CG-CG2 4.08Å; M255-I289 HydrophobicContact SD-CD1 4.09Å; Q256-I289 PolarHBondContact N-O 2.69Å; A275-I289 HydrophobicContact CB-CB 4.46Å; A275-I289 HydrophobicContact CB-CG2 3.48Å; A275-I289 VanDerWaalsContact CB-CG2 3.48Å; V277-I289 HydrophobicContact CG2-CD1 4.26Å; I283-I289 HydrophobicContact CG2-CD1 3.99Å; V287-I289 HydrophobicContact CG1-CD1 4.21Å; V287-I289 HydrophobicContact CG1-CG1 3.79Å; I289-V293 HydrophobicContact CG2-CB 3.62Å; I289-V293 HydrophobicContact CG2-CG1 3.58Å; I289-V293 HydrophobicContact CG2-CG2 4.26Å; I289-I295 HydrophobicContact CD1-CD1 3.58Å; I289-I295 HydrophobicContact CG1-CD1 4.03Å; I289-I295 HydrophobicContact CG2-CD1 4.25Å; I289-I306 HydrophobicContact CG1-CD1 4.47Å
290G97.4Very high97.9Very high1 Ų135.4 Ų35.41%0.0118%0.178CC..  trans-72.6173.3-178.500000115.1N30 V293 I306N30-G290 VanDerWaalsContact OD1-CA 3.29Å; N30-G290 WeakPolarHBondContact OD1-CA 3.48Å; N30-G290 PolarHBondContact OD1-N 2.86Å; G290-V293 WeakPolarHBondContact O-CB 3.46Å; G290-V293 VanDerWaalsContact O-CG2 3.28Å; G290-V293 WeakPolarHBondContact O-CG2 3.47Å; G290-V293 PolarHBondContact O-N 3.18Å; G290-I306 WeakPolarHBondContact CA-O 3.5Å; G290-I306 PolarHBondContact N-O 2.83Å
291P94.7Very high98Very high23 Ų2328.4 Ų28.415%0.14914%0.142CC..THydrogen-bonded Turntrans-61.6139.8179.621.1-29.6000112.4Q256 F268 R273 V293 A308 N309Q256-P291 HydrophobicContact CB-CB 4.29Å; Q256-P291 HydrophobicContact CG-CB 3.93Å; F268-P291 HydrophobicContact CE1-CB 4.32Å; R273-P291 HydrophobicContact CB-CB 4.05Å; R273-P291 CarbonylContact O-C 3.43Å; R273-P291 WeakPolarHBondContact O-CA 3.23Å; P291-V293 PolarHBondContact O-N 3.18Å; P291-A308 HydrophobicContact CG-CB 3.76Å; P291-A308 CarbonylContact O-C 3.49Å; P291-A308 WeakPolarHBondContact O-CA 3.31Å; P291-A308 WeakPolarHBondContact O-CB 3.24Å; P291-N309 PolarHBondContact O-N 3.33Å
292G94.8Very high98Very high18 Ų1832.6 Ų32.619%0.18616%0.159CC..THydrogen-bonded Turntrans67.411177.200000114.6R273R273-G292 PolarHBondContact O-N 3.5Å
293V98.1Very high98.1Very high0 Ų026.1 Ų26.10%014%0.137CC..  trans-71.9134.6175.8170.10000110.1A275 K276 I289 G290 P291 I295 I306 L307 T310A275-V293 CarbonylContact C-O 3.54Å; A275-V293 VanDerWaalsContact CA-O 3.3Å; A275-V293 WeakPolarHBondContact CA-O 3.4Å; A275-V293 HydrophobicContact CB-CB 4.43Å; K276-V293 PolarHBondContact N-O 3.2Å; I289-V293 HydrophobicContact CG2-CB 3.62Å; I289-V293 HydrophobicContact CG2-CG1 3.58Å; I289-V293 HydrophobicContact CG2-CG2 4.26Å; G290-V293 WeakPolarHBondContact O-CB 3.46Å; G290-V293 VanDerWaalsContact O-CG2 3.28Å; G290-V293 WeakPolarHBondContact O-CG2 3.47Å; G290-V293 PolarHBondContact O-N 3.18Å; P291-V293 PolarHBondContact O-N 3.18Å; V293-I295 HydrophobicContact CG1-CD1 4.32Å; V293-I295 HydrophobicContact CG1-CG1 4.03Å; V293-I306 HydrophobicContact CB-CG2 4.44Å; V293-I306 HydrophobicContact CG1-CB 4.43Å; V293-I306 HydrophobicContact CG1-CD1 4.49Å; V293-I306 HydrophobicContact CG1-CG2 3.79Å; V293-I306 HydrophobicContact CG2-CB 4.4Å; V293-I306 HydrophobicContact CG2-CG2 3.71Å; V293-L307 VanDerWaalsContact CG2-O 3.26Å; V293-L307 WeakPolarHBondContact CG2-O 3.26Å; V293-T310 VanDerWaalsContact CA-O 3.26Å; V293-T310 WeakPolarHBondContact CA-O 3.28Å; V293-T310 WeakPolarHBondContact CG1-O 3.2Å
294E97.9Very high98.1Very high55 Ų5526.2 Ų26.226%0.25714%0.138SC..EExtended strand (participates in β ladder)trans-117.3111.8175.7-62.4-165.916400110.5K276 R296 T310 T311 I312K276-E294 IonicContact NZ-OE1 3.27Å; K276-E294 PolarHBondContact NZ-OE1 2.86Å; E294-R296 IonicContact OE2-CZ 2.88Å; E294-R296 IonicContact OE2-NE 3.77Å; E294-R296 IonicContact OE2-NH2 3.82Å; E294-R296 PolarHBondContact OE2-NH2 3.44Å; E294-T310 PolarHBondContact N-O 2.88Å; E294-T311 HydrophobicContact CB-CG2 4.33Å; E294-T311 CarbonylContact O-C 3.59Å; E294-T311 VanDerWaalsContact O-CA 3.3Å; E294-T311 WeakPolarHBondContact O-CA 3.47Å; E294-I312 PolarHBondContact O-N 2.87Å
295I98.5Very high98.1Very high4 Ų426.1 Ų26.12%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-101.3120.7174.4-66.5161.5000108K276 V277 G278 I283 I289 V293 V299 L301 I306 I312K276-I295 PolarHBondContact O-N 2.99Å; V277-I295 CarbonylContact C-O 3.33Å; V277-I295 HydrophobicContact CG1-CG2 4.45Å; V277-I295 HydrophobicContact CG2-CD1 4.2Å; G278-I295 PolarHBondContact N-O 2.99Å; I283-I295 HydrophobicContact CD1-CG2 4.37Å; I289-I295 HydrophobicContact CD1-CD1 3.58Å; I289-I295 HydrophobicContact CG1-CD1 4.03Å; I289-I295 HydrophobicContact CG2-CD1 4.25Å; V293-I295 HydrophobicContact CG1-CD1 4.32Å; V293-I295 HydrophobicContact CG1-CG1 4.03Å; I295-V299 HydrophobicContact CG2-CB 3.53Å; I295-V299 HydrophobicContact CG2-CG1 3.67Å; I295-V299 HydrophobicContact CG2-CG2 3.95Å; I295-L301 HydrophobicContact CD1-CD1 3.59Å; I295-L301 HydrophobicContact CG1-CD1 4.37Å; I295-I306 HydrophobicContact CD1-CD1 4.07Å; I295-I306 HydrophobicContact CG1-CD1 4.47Å; I295-I312 HydrophobicContact CG1-CD1 4.37Å
296R98.3Very high98.1Very high112 Ų11224.3 Ų24.342%0.42313%0.125SC..  trans-84.3179.7-179.5-54.8-59.5177129.8-9.7111.8C281 E294 V299 T311 I312 S314C281-R296 PolarHBondContact SG-O 2.87Å; E294-R296 IonicContact OE2-CZ 2.88Å; E294-R296 IonicContact OE2-NE 3.77Å; E294-R296 IonicContact OE2-NH2 3.82Å; E294-R296 PolarHBondContact OE2-NH2 3.44Å; R296-V299 VanDerWaalsContact O-CG2 3.28Å; R296-V299 WeakPolarHBondContact O-CG2 3.02Å; R296-T311 HydrophobicContact CG-CG2 4.49Å; R296-I312 WeakPolarHBondContact CB-O 3.29Å; R296-I312 WeakPolarHBondContact CG-O 3.22Å; R296-I312 PolarHBondContact N-O 3.33Å; R296-S314 WeakPolarHBondContact CB-OG 3.39Å
297D98.4Very high98.1Very high73 Ų7323.2 Ų23.239%0.3912%0.119SC..THydrogen-bonded Turntrans-64.2144.5-166.4-64.1-39000113.2G278 S279 V299 S314 H315G278-D297 WeakPolarHBondContact CA-OD1 3.37Å; S279-D297 PolarHBondContact N-OD1 3.36Å; S279-D297 CarbonylContact O-C 3.59Å; S279-D297 VanDerWaalsContact O-CA 3.31Å; S279-D297 WeakPolarHBondContact O-CA 3.2Å; S279-D297 PolarHBondContact OG-OD1 2.88Å; D297-V299 PolarHBondContact O-N 3.2Å; D297-V299 VanDerWaalsContact O-N 3.14Å; D297-S314 CarbonylContact O-C 3.53Å; D297-S314 WeakPolarHBondContact O-CA 3.45Å; D297-S314 WeakPolarHBondContact O-CB 3.2Å; D297-H315 PolarHBondContact O-N 2.86Å
298G98.2Very high98Very high14 Ų1423.6 Ų23.614%0.14412%0.122CC..THydrogen-bonded Turntrans698.4173.200000115.9S279S279-G298 PolarHBondContact O-N 2.99Å
299V98.8Very high97.9Very high0 Ų027.1 Ų27.10%014%0.141CC..  trans-68142178.1170.90000111.1C281 R282 I295 R296 D297 L301 I312 D313 S316C281-V299 CarbonylContact C-O 3.6Å; C281-V299 VanDerWaalsContact CA-O 3.24Å; C281-V299 WeakPolarHBondContact CA-O 3.22Å; C281-V299 WeakPolarHBondContact CB-O 3.21Å; R282-V299 PolarHBondContact N-O 3.27Å; I295-V299 HydrophobicContact CG2-CB 3.53Å; I295-V299 HydrophobicContact CG2-CG1 3.67Å; I295-V299 HydrophobicContact CG2-CG2 3.95Å; R296-V299 VanDerWaalsContact O-CG2 3.28Å; R296-V299 WeakPolarHBondContact O-CG2 3.02Å; D297-V299 PolarHBondContact O-N 3.2Å; D297-V299 VanDerWaalsContact O-N 3.14Å; V299-L301 HydrophobicContact CG1-CD2 3.75Å; V299-L301 HydrophobicContact CG1-CG 3.88Å; V299-I312 HydrophobicContact CG1-CG2 3.88Å; V299-I312 HydrophobicContact CG2-CG2 3.94Å; V299-D313 WeakPolarHBondContact CG2-O 3.13Å; V299-S316 WeakPolarHBondContact CA-O 3.26Å
300C98.8Very high97.9Very high32 Ų3227.1 Ų27.122%0.21614%0.141CC..EExtended strand (participates in β ladder)trans-120.3120.7177.2-70.60000111.1R282 S316 W317 I318R282-C300 CarbonylContact O-C 3.05Å; R282-C300 VanDerWaalsContact O-CA 3.28Å; R282-C300 WeakPolarHBondContact O-CA 3.35Å; C300-S316 PolarHBondContact N-O 2.89Å; C300-W317 HydrophobicContact CB-CB 4.4Å; C300-W317 VanDerWaalsContact CB-CD1 3.43Å; C300-W317 HydrophobicContact CB-CG 4.21Å; C300-W317 WeakPolarHBondContact O-CA 3.34Å; C300-I318 PolarHBondContact O-N 2.9Å
301L98.7Very high97.9Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-123.5137.4-178.3-57.5-178.6000111.5R282 I283 G284 V287 I295 V299 I306 I312 I318R282-L301 PolarHBondContact O-N 2.94Å; I283-L301 HydrophobicContact CD1-CB 4.14Å; I283-L301 HydrophobicContact CD1-CD1 3.91Å; I283-L301 HydrophobicContact CD1-CG 3.81Å; I283-L301 HydrophobicContact CG2-CB 4.4Å; I283-L301 HydrophobicContact CG2-CD1 4.42Å; G284-L301 CarbonylContact C-O 3.56Å; G284-L301 WeakPolarHBondContact CA-O 3.46Å; G284-L301 PolarHBondContact N-O 3.23Å; V287-L301 HydrophobicContact CG1-CB 4.22Å; V287-L301 HydrophobicContact CG1-CD1 4.06Å; V287-L301 HydrophobicContact CG2-CB 3.79Å; I295-L301 HydrophobicContact CD1-CD1 3.59Å; I295-L301 HydrophobicContact CG1-CD1 4.37Å; V299-L301 HydrophobicContact CG1-CD2 3.75Å; V299-L301 HydrophobicContact CG1-CG 3.88Å; L301-I306 HydrophobicContact CD1-CD1 3.39Å; L301-I306 HydrophobicContact CD2-CD1 4.49Å; L301-I312 HydrophobicContact CD1-CD1 4.45Å; L301-I312 HydrophobicContact CD2-CD1 4.09Å; L301-I318 WeakPolarHBondContact CA-O 3.35Å; L301-I318 HydrophobicContact CD2-CB 3.68Å; L301-I318 HydrophobicContact CD2-CD1 4.15Å; L301-I318 HydrophobicContact CD2-CG1 4.1Å
302K98.6Very high98.1Very high92 Ų9227.9 Ų27.940%0.415%0.145SC..EExtended strand (participates in β ladder)trans-144.5138.6173-61-173.2178.2-179.10110.9G284 T304 I318 N319 N320G284-K302 WeakPolarHBondContact O-CG 3.28Å; K302-T304 PolarHBondContact O-N 2.78Å; K302-T304 VanDerWaalsContact O-N 3.15Å; K302-T304 PolarHBondContact O-OG1 3.28Å; K302-I318 PolarHBondContact N-O 3.48Å; K302-N319 HydrophobicContact CB-CB 4.49Å; K302-N319 WeakPolarHBondContact CB-OD1 3.22Å; K302-N319 CarbonylContact O-C 3.57Å; K302-N319 VanDerWaalsContact O-CA 3.22Å; K302-N319 WeakPolarHBondContact O-CA 3.47Å; K302-N319 PolarHBondContact O-OD1 2.84Å; K302-N320 PolarHBondContact O-N 2.86Å
303H98.7Very high98.3Very high57 Ų5728.9 Ų28.926%0.26415%0.146SC..EExtended strand (participates in β ladder)trans50.841.7175.4-51.7-77.7000112.9I225 P285 N286 N319 N320 S321I225-H303 HydrophobicContact CG2-CB 4.09Å; I225-H303 WeakPolarHBondContact CG2-O 3.31Å; P285-H303 PolarHBondContact O-N 3.04Å; N286-H303 PolarHBondContact ND2-CE1 3.43Å; N286-H303 VanDerWaalsContact ND2-CE1 3.29Å; N286-H303 PolarHBondContact ND2-ND1 3.11Å; N286-H303 CarbonylContact O-C 3.56Å; N286-H303 WeakPolarHBondContact O-CA 3.32Å; N286-H303 PolarHBondContact O-N 3Å; H303-N319 PolarHBondContact CD2-OD1 2.88Å; H303-N320 WeakPolarHBondContact CB-OD1 3.31Å; H303-N320 WeakPolarHBondContact O-CA 3.34Å; H303-N320 PolarHBondContact O-N 3.01Å; H303-S321 PolarHBondContact O-N 3.41Å
304T98.7Very high98.3Very high1 Ų129.9 Ų29.91%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-128.8134.2-168.1-67.50000110.6N286 V287 V288 K302 I306 I318 S321 I323N286-T304 PolarHBondContact O-N 3.34Å; V287-T304 VanDerWaalsContact CA-O 3.28Å; V287-T304 WeakPolarHBondContact CA-O 3.36Å; V288-T304 PolarHBondContact N-O 3.31Å; K302-T304 PolarHBondContact O-N 2.78Å; K302-T304 VanDerWaalsContact O-N 3.15Å; K302-T304 PolarHBondContact O-OG1 3.28Å; T304-I306 HydrophobicContact CG2-CG1 3.97Å; T304-I318 HydrophobicContact CG2-CG2 3.68Å; T304-I318 PolarHBondContact OG1-O 2.94Å; T304-S321 VanDerWaalsContact CA-O 3.25Å; T304-S321 WeakPolarHBondContact CA-O 3.28Å; T304-I323 HydrophobicContact CG2-CG1 4.4Å
305T98.7Very high98.3Very high2 Ų231.2 Ų31.21%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-105.1131.3167.9-65.80000109.5F224 V288 L307 S321 I322 I323F224-T305 HydrophobicContact CE1-CG2 4.14Å; V288-T305 HydrophobicContact CB-CG2 4.17Å; V288-T305 HydrophobicContact CG1-CG2 4.28Å; V288-T305 WeakPolarHBondContact O-CA 3.44Å; T305-L307 HydrophobicContact CG2-CD2 3.76Å; T305-L307 HydrophobicContact CG2-CG 4.37Å; T305-S321 PolarHBondContact N-O 3.48Å; T305-I322 WeakPolarHBondContact O-CA 3.39Å; T305-I323 PolarHBondContact O-N 2.91Å
306I98.8Very high98.4Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-119.2117.6175.4-53160.9000108.1V288 I289 G290 V293 I295 L301 T304 T310 I312 I323V288-I306 PolarHBondContact O-N 2.99Å; I289-I306 HydrophobicContact CG1-CD1 4.47Å; G290-I306 WeakPolarHBondContact CA-O 3.5Å; G290-I306 PolarHBondContact N-O 2.83Å; V293-I306 HydrophobicContact CB-CG2 4.44Å; V293-I306 HydrophobicContact CG1-CB 4.43Å; V293-I306 HydrophobicContact CG1-CD1 4.49Å; V293-I306 HydrophobicContact CG1-CG2 3.79Å; V293-I306 HydrophobicContact CG2-CB 4.4Å; V293-I306 HydrophobicContact CG2-CG2 3.71Å; I295-I306 HydrophobicContact CD1-CD1 4.07Å; I295-I306 HydrophobicContact CG1-CD1 4.47Å; L301-I306 HydrophobicContact CD1-CD1 3.39Å; L301-I306 HydrophobicContact CD2-CD1 4.49Å; T304-I306 HydrophobicContact CG2-CG1 3.97Å; I306-T310 HydrophobicContact CG2-CG2 3.59Å; I306-I312 HydrophobicContact CD1-CD1 3.29Å; I306-I312 HydrophobicContact CG1-CD1 3.96Å; I306-I312 HydrophobicContact CG2-CD1 4.5Å; I306-I323 HydrophobicContact CG1-CB 4.45Å; I306-I323 HydrophobicContact CG1-CG1 4.35Å; I306-I323 HydrophobicContact CG2-CB 4.3Å
307L98.1Very high98.4Very high3 Ų328.8 Ų28.82%0.01615%0.15CC..  trans-85.8171.8-179.4-57.4-179000111.5L17 E27 V293 T305 T310 I323 W325L17-L307 HydrophobicContact CD2-CD1 4.06Å; E27-L307 HydrophobicContact CB-CD2 4.33Å; V293-L307 VanDerWaalsContact CG2-O 3.26Å; V293-L307 WeakPolarHBondContact CG2-O 3.26Å; T305-L307 HydrophobicContact CG2-CD2 3.76Å; T305-L307 HydrophobicContact CG2-CG 4.37Å; L307-T310 PolarHBondContact O-OG1 2.87Å; L307-I323 WeakPolarHBondContact CB-O 3.42Å; L307-I323 PolarHBondContact N-O 2.94Å; L307-W325 HydrophobicContact CB-CD2 4.18Å; L307-W325 HydrophobicContact CB-CG 3.97Å; L307-W325 HydrophobicContact CD1-CD2 3.93Å; L307-W325 VanDerWaalsContact CD1-CE2 3.45Å; L307-W325 HydrophobicContact CD1-CE3 4.27Å; L307-W325 HydrophobicContact CD1-CH2 3.78Å; L307-W325 HydrophobicContact CD1-CZ2 3.38Å; L307-W325 HydrophobicContact CD1-CZ3 4.21Å
308A96.2Very high98.4Very high8 Ų825.3 Ų25.37%0.06613%0.131CC..THydrogen-bonded Turntrans-56.9146.9-160.800000114.9P291 T310 W325 K326P291-A308 HydrophobicContact CG-CB 3.76Å; P291-A308 CarbonylContact O-C 3.49Å; P291-A308 WeakPolarHBondContact O-CA 3.31Å; P291-A308 WeakPolarHBondContact O-CB 3.24Å; A308-T310 PolarHBondContact O-N 2.83Å; A308-W325 CarbonylContact O-C 3.52Å; A308-W325 WeakPolarHBondContact O-CA 3.21Å; A308-K326 PolarHBondContact O-N 3.21Å
309N96.4Very high98.4Very high74 Ų7426 Ų2640%0.39613%0.132SC..THydrogen-bonded Turntrans58.824173.8-49.1-52.9000114.9P291 K326P291-N309 PolarHBondContact O-N 3.33Å; N309-K326 HydrophobicContact CB-CG 4.24Å; N309-K326 WeakPolarHBondContact O-CA 3Å
310T98.5Very high98.4Very high0 Ų028.4 Ų28.40%014%0.144CC..  trans-86.3141.5173.7-75.30000110.8V293 E294 I306 L307 A308 I312 I323 G324 K326 C327V293-T310 VanDerWaalsContact CA-O 3.26Å; V293-T310 WeakPolarHBondContact CA-O 3.28Å; V293-T310 WeakPolarHBondContact CG1-O 3.2Å; E294-T310 PolarHBondContact N-O 2.88Å; I306-T310 HydrophobicContact CG2-CG2 3.59Å; L307-T310 PolarHBondContact O-OG1 2.87Å; A308-T310 PolarHBondContact O-N 2.83Å; T310-I312 HydrophobicContact CG2-CG1 4.26Å; T310-I323 HydrophobicContact CG2-CG2 3.7Å; T310-G324 PolarHBondContact OG1-O 3.09Å; T310-K326 PolarHBondContact OG1-N 2.91Å; T310-C327 CarbonylContact C-O 3.54Å; T310-C327 VanDerWaalsContact CA-O 3.26Å; T310-C327 WeakPolarHBondContact CA-O 3.18Å; T310-C327 HydrophobicContact CG2-CB 3.9Å; T310-C327 WeakPolarHBondContact CG2-O 3.49Å; T310-C327 PolarHBondContact OG1-N 2.81Å
311T98.6Very high98.4Very high41 Ų4126.9 Ų26.925%0.25213%0.134SC..EExtended strand (participates in β ladder)trans-108.6136.1170-58.60000110.2E294 R296 C327 I329E294-T311 HydrophobicContact CB-CG2 4.33Å; E294-T311 CarbonylContact O-C 3.59Å; E294-T311 VanDerWaalsContact O-CA 3.3Å; E294-T311 WeakPolarHBondContact O-CA 3.47Å; R296-T311 HydrophobicContact CG-CG2 4.49Å; T311-C327 PolarHBondContact N-O 3.14Å; T311-I329 PolarHBondContact O-N 2.88Å
312I98.8Very high98.4Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-118.7113.3170.5-57.9172000108.1E294 I295 R296 V299 L301 I306 T310 I318 I329E294-I312 PolarHBondContact O-N 2.87Å; I295-I312 HydrophobicContact CG1-CD1 4.37Å; R296-I312 WeakPolarHBondContact CB-O 3.29Å; R296-I312 WeakPolarHBondContact CG-O 3.22Å; R296-I312 PolarHBondContact N-O 3.33Å; V299-I312 HydrophobicContact CG1-CG2 3.88Å; V299-I312 HydrophobicContact CG2-CG2 3.94Å; L301-I312 HydrophobicContact CD1-CD1 4.45Å; L301-I312 HydrophobicContact CD2-CD1 4.09Å; I306-I312 HydrophobicContact CD1-CD1 3.29Å; I306-I312 HydrophobicContact CG1-CD1 3.96Å; I306-I312 HydrophobicContact CG2-CD1 4.5Å; T310-I312 HydrophobicContact CG2-CG1 4.26Å; I312-I318 HydrophobicContact CD1-CD1 3.81Å; I312-I318 HydrophobicContact CG1-CD1 4.33Å; I312-I318 HydrophobicContact CG2-CD1 4.14Å; I312-I329 HydrophobicContact CB-CB 4.4Å; I312-I329 HydrophobicContact CG1-CB 4.16Å; I312-I329 HydrophobicContact CG1-CG1 3.98Å; I312-I329 HydrophobicContact CG2-CB 4.26Å; I312-I329 HydrophobicContact CG2-CG2 4.47Å
313D98.5Very high98.4Very high38 Ų3822.5 Ų22.520%0.20312%0.115CC..  trans-78.9170.7-179.3-152.2-6.3000111.9V299 S316 I329 R331V299-D313 WeakPolarHBondContact CG2-O 3.13Å; D313-S316 WeakPolarHBondContact O-CB 3.3Å; D313-S316 PolarHBondContact O-OG 3.02Å; D313-I329 WeakPolarHBondContact CB-O 3.37Å; D313-I329 PolarHBondContact N-O 3.14Å; D313-R331 HydrophobicContact CB-CG 3.83Å; D313-R331 VanDerWaalsContact CG-CG 3.45Å; D313-R331 IonicContact OD1-NE 2.82Å; D313-R331 VanDerWaalsContact OD2-CG 3.3Å; D313-R331 WeakPolarHBondContact OD2-CG 3.35Å; D313-R331 IonicContact OD2-CZ 3.2Å; D313-R331 IonicContact OD2-NE 2.68Å; D313-R331 PolarHBondContact OD2-NE 2.87Å; D313-R331 IonicContact OD2-NH2 3.74Å
314S98.6Very high98.4Very high22 Ų2219.8 Ų19.815%0.15410%0.102CC..THydrogen-bonded Turntrans-64.3146-155.6-51.70000112.5R296 D297 S316 R331 W332R296-S314 WeakPolarHBondContact CB-OG 3.39Å; D297-S314 CarbonylContact O-C 3.53Å; D297-S314 WeakPolarHBondContact O-CA 3.45Å; D297-S314 WeakPolarHBondContact O-CB 3.2Å; S314-S316 PolarHBondContact O-N 2.82Å; S314-S316 VanDerWaalsContact O-N 3.1Å; S314-R331 WeakPolarHBondContact O-CA 3.37Å; S314-W332 PolarHBondContact O-N 3.24Å
315H98.4Very high98.4Very high83 Ų8319.8 Ų19.838%0.38410%0.102SC..THydrogen-bonded Turntrans61.513.3175.9-49.1-63.2000116.3D297 W332D297-H315 PolarHBondContact O-N 2.86Å; H315-W332 HydrophobicContact CB-CD2 3.66Å; H315-W332 HydrophobicContact CB-CE3 3.48Å; H315-W332 VanDerWaalsContact CB-CE3 3.48Å; H315-W332 HydrophobicContact CB-CH2 3.57Å; H315-W332 HydrophobicContact CB-CZ2 3.74Å; H315-W332 HydrophobicContact CB-CZ3 3.44Å; H315-W332 VanDerWaalsContact CB-CZ3 3.44Å; H315-W332 AromaticContact CD2-CE2 3.88Å; H315-W332 AromaticContact CD2-CH2 3.82Å; H315-W332 AromaticContact CD2-CZ2 3.42Å; H315-W332 VanDerWaalsContact CD2-CZ2 3.42Å; H315-W332 WeakPolarHBondContact CD2-CZ2 3.44Å; H315-W332 AromaticContact CG-CH2 3.57Å; H315-W332 AromaticContact CG-CZ2 3.63Å; H315-W332 AromaticContact CG-CZ3 3.98Å
316S98.8Very high98.3Very high0 Ų024.4 Ų24.40%012%0.122CC..  trans-74147.1172.8-67.30000111.9V299 C300 D313 S314 G330 W332 V333V299-S316 WeakPolarHBondContact CA-O 3.26Å; C300-S316 PolarHBondContact N-O 2.89Å; D313-S316 WeakPolarHBondContact O-CB 3.3Å; D313-S316 PolarHBondContact O-OG 3.02Å; S314-S316 PolarHBondContact O-N 2.82Å; S314-S316 VanDerWaalsContact O-N 3.1Å; S316-G330 PolarHBondContact OG-O 2.94Å; S316-W332 PolarHBondContact OG-N 3.08Å; S316-W332 VanDerWaalsContact OG-N 3.17Å; S316-V333 CarbonylContact C-O 3.59Å; S316-V333 VanDerWaalsContact CA-O 3.32Å; S316-V333 WeakPolarHBondContact CA-O 3.32Å; S316-V333 WeakPolarHBondContact CB-O 3.37Å; S316-V333 PolarHBondContact OG-N 2.78Å
317W98.7Very high98.3Very high65 Ų6524.4 Ų24.425%0.24612%0.122CC..EExtended strand (participates in β ladder)trans-123.6119.6179.1-17997.7000109.9C300 N319 V333 R334 M335 E336C300-W317 HydrophobicContact CB-CB 4.4Å; C300-W317 VanDerWaalsContact CB-CD1 3.43Å; C300-W317 HydrophobicContact CB-CG 4.21Å; C300-W317 WeakPolarHBondContact O-CA 3.34Å; W317-N319 HydrophobicContact CE3-CB 4.44Å; W317-N319 HydrophobicContact CH2-CB 3.44Å; W317-N319 VanDerWaalsContact CH2-CB 3.44Å; W317-N319 HydrophobicContact CZ2-CB 3.55Å; W317-N319 HydrophobicContact CZ3-CB 3.96Å; W317-V333 PolarHBondContact N-O 3.32Å; W317-R334 HydrophobicContact CE3-CG 3.62Å; W317-R334 HydrophobicContact CZ3-CG 3.89Å; W317-R334 CarbonylContact O-C 3.57Å; W317-R334 VanDerWaalsContact O-CA 3.29Å; W317-R334 WeakPolarHBondContact O-CA 3.29Å; W317-M335 PolarHBondContact O-N 2.98Å; W317-E336 HydrophobicContact CE3-CG 4.3Å; W317-E336 HydrophobicContact CH2-CG 3.68Å; W317-E336 WeakPolarHBondContact CH2-OE1 3.23Å; W317-E336 HydrophobicContact CZ3-CG 3.2Å; W317-E336 WeakPolarHBondContact CZ3-OE1 3.35Å
318I98.8Very high98.4Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-130.1118.6-175-54.4-178.2000108.8C300 L301 K302 T304 I312 I323 I329 M335C300-I318 PolarHBondContact O-N 2.9Å; L301-I318 WeakPolarHBondContact CA-O 3.35Å; L301-I318 HydrophobicContact CD2-CB 3.68Å; L301-I318 HydrophobicContact CD2-CD1 4.15Å; L301-I318 HydrophobicContact CD2-CG1 4.1Å; K302-I318 PolarHBondContact N-O 3.48Å; T304-I318 HydrophobicContact CG2-CG2 3.68Å; T304-I318 PolarHBondContact OG1-O 2.94Å; I312-I318 HydrophobicContact CD1-CD1 3.81Å; I312-I318 HydrophobicContact CG1-CD1 4.33Å; I312-I318 HydrophobicContact CG2-CD1 4.14Å; I318-I323 HydrophobicContact CD1-CD1 4.5Å; I318-I323 HydrophobicContact CG2-CD1 4.36Å; I318-I329 HydrophobicContact CD1-CG2 4.22Å; I318-M335 HydrophobicContact CB-CB 4.36Å; I318-M335 HydrophobicContact CD1-SD 4.1Å; I318-M335 HydrophobicContact CG1-CB 4.24Å; I318-M335 HydrophobicContact CG1-CG 4.32Å; I318-M335 HydrophobicContact CG1-SD 4.34Å; I318-M335 HydrophobicContact CG2-CB 3.97Å; I318-M335 HydrophobicContact CG2-SD 4.46Å
319N98.6Very high98.5Very high28 Ų2827 Ų2715%0.1514%0.139CC..EExtended strand (participates in β ladder)trans-126.9140-179.8-174.421.5000110.8K302 H303 W317 S321 M335 E336K302-N319 HydrophobicContact CB-CB 4.49Å; K302-N319 WeakPolarHBondContact CB-OD1 3.22Å; K302-N319 CarbonylContact O-C 3.57Å; K302-N319 VanDerWaalsContact O-CA 3.22Å; K302-N319 WeakPolarHBondContact O-CA 3.47Å; K302-N319 PolarHBondContact O-OD1 2.84Å; H303-N319 PolarHBondContact CD2-OD1 2.88Å; W317-N319 HydrophobicContact CE3-CB 4.44Å; W317-N319 HydrophobicContact CH2-CB 3.44Å; W317-N319 VanDerWaalsContact CH2-CB 3.44Å; W317-N319 HydrophobicContact CZ2-CB 3.55Å; W317-N319 HydrophobicContact CZ3-CB 3.96Å; N319-S321 PolarHBondContact O-N 2.7Å; N319-S321 PolarHBondContact O-OG 2.77Å; N319-S321 VanDerWaalsContact O-OG 3.11Å; N319-M335 PolarHBondContact N-O 2.82Å; N319-E336 WeakPolarHBondContact O-CA 3.26Å
320N98.4Very high98.6Very high50 Ų5023.9 Ų23.927%0.26713%0.125SC..EExtended strand (participates in β ladder)trans49.759.3176.9-71.9-56.5000111.8K302 H303 V338K302-N320 PolarHBondContact O-N 2.86Å; H303-N320 WeakPolarHBondContact CB-OD1 3.31Å; H303-N320 WeakPolarHBondContact O-CA 3.34Å; H303-N320 PolarHBondContact O-N 3.01Å; N320-V338 WeakPolarHBondContact O-CA 3.41Å; N320-V338 PolarHBondContact O-N 2.84Å
321S98.6Very high98.6Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-141.5158.4-176-63.60000112.5H303 T304 T305 N319 S339H303-S321 PolarHBondContact O-N 3.41Å; T304-S321 VanDerWaalsContact CA-O 3.25Å; T304-S321 WeakPolarHBondContact CA-O 3.28Å; T305-S321 PolarHBondContact N-O 3.48Å; N319-S321 PolarHBondContact O-N 2.7Å; N319-S321 PolarHBondContact O-OG 2.77Å; N319-S321 VanDerWaalsContact O-OG 3.11Å; S321-S339 CarbonylContact C-O 3.59Å; S321-S339 VanDerWaalsContact CA-O 3.22Å; S321-S339 WeakPolarHBondContact CA-O 3.34Å; S321-S339 WeakPolarHBondContact CB-O 3.24Å
322I98.8Very high98.6Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-121.6114.6169.9-52.2168.9000108.1L17 P221 F224 I225 T305 S339 V340 L341L17-I322 HydrophobicContact CD1-CG2 3.82Å; L17-I322 HydrophobicContact CD2-CG2 4.33Å; P221-I322 HydrophobicContact CB-CD1 3.96Å; F224-I322 HydrophobicContact CB-CD1 4.04Å; F224-I322 HydrophobicContact CD1-CD1 3.66Å; F224-I322 HydrophobicContact CD1-CG1 4.29Å; F224-I322 HydrophobicContact CE1-CD1 4.34Å; F224-I322 HydrophobicContact CG-CD1 3.96Å; I225-I322 HydrophobicContact CD1-CG1 4.1Å; I225-I322 HydrophobicContact CG1-CD1 4.13Å; I225-I322 HydrophobicContact CG1-CG1 3.79Å; T305-I322 WeakPolarHBondContact O-CA 3.39Å; I322-S339 PolarHBondContact N-O 3.22Å; I322-V340 HydrophobicContact CB-CG1 4.16Å; I322-V340 HydrophobicContact CB-CG2 4.47Å; I322-V340 CarbonylContact O-C 3.56Å; I322-V340 VanDerWaalsContact O-CA 3.28Å; I322-V340 WeakPolarHBondContact O-CA 3.48Å; I322-L341 PolarHBondContact O-N 3.17Å
323I98.7Very high98.6Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-98.9115.7178.9-47.6-55.9000107.6T304 T305 I306 L307 T310 I318 C327 I329 M335 L341T304-I323 HydrophobicContact CG2-CG1 4.4Å; T305-I323 PolarHBondContact O-N 2.91Å; I306-I323 HydrophobicContact CG1-CB 4.45Å; I306-I323 HydrophobicContact CG1-CG1 4.35Å; I306-I323 HydrophobicContact CG2-CB 4.3Å; L307-I323 WeakPolarHBondContact CB-O 3.42Å; L307-I323 PolarHBondContact N-O 2.94Å; T310-I323 HydrophobicContact CG2-CG2 3.7Å; I318-I323 HydrophobicContact CD1-CD1 4.5Å; I318-I323 HydrophobicContact CG2-CD1 4.36Å; I323-C327 HydrophobicContact CG2-CB 3.77Å; I323-I329 HydrophobicContact CG2-CD1 4.15Å; I323-I329 HydrophobicContact CG2-CG1 4.31Å; I323-M335 HydrophobicContact CD1-CE 3.47Å; I323-M335 VanDerWaalsContact CD1-CE 3.47Å; I323-M335 HydrophobicContact CD1-SD 3.62Å; I323-L341 HydrophobicContact CD1-CD1 3.99Å; I323-L341 HydrophobicContact CD1-CG 4.05Å; I323-L341 HydrophobicContact CG2-CD1 4.2Å
324G98.4Very high98.6Very high0 Ų038.7 Ų38.70%017%0.174CC..  trans-63.1-174.8179.200000113.7T310 C327 L341 G342T310-G324 PolarHBondContact OG1-O 3.09Å; G324-C327 PolarHBondContact O-SG 2.75Å; G324-L341 VanDerWaalsContact CA-O 3.29Å; G324-L341 WeakPolarHBondContact CA-O 3.11Å; G324-L341 PolarHBondContact N-O 2.63Å; G324-G342 WeakPolarHBondContact CA-O 3.36Å
325W98Very high98.6Very high1 Ų137.7 Ų37.70%0.00417%0.166CC..THydrogen-bonded Turntrans-72.1150.2-177.1-49.9-94.6000112L17 R21 V26 E27 L307 A308 C327 E343 D344L17-W325 HydrophobicContact CB-CH2 4.02Å; L17-W325 HydrophobicContact CB-CZ3 4.15Å; L17-W325 HydrophobicContact CD2-CH2 4.27Å; L17-W325 HydrophobicContact CD2-CZ3 4Å; R21-W325 HydrophobicContact CB-CH2 4.28Å; R21-W325 HydrophobicContact CG-CH2 4.18Å; R21-W325 HydrophobicContact CG-CZ2 4.43Å; R21-W325 HydrophobicContact CG-CZ3 4.33Å; R21-W325 VanDerWaalsContact CZ-NE1 3.29Å; R21-W325 VanDerWaalsContact NH2-CD1 3.34Å; V26-W325 HydrophobicContact CG1-CH2 4.09Å; V26-W325 HydrophobicContact CG1-CZ2 4.12Å; V26-W325 HydrophobicContact CG2-CH2 4.08Å; V26-W325 HydrophobicContact CG2-CZ2 4.48Å; E27-W325 PolarHBondContact OE1-NE1 3.35Å; E27-W325 VanDerWaalsContact OE2-CE2 3.25Å; E27-W325 WeakPolarHBondContact OE2-CZ2 3.35Å; E27-W325 PolarHBondContact OE2-NE1 2.89Å; L307-W325 HydrophobicContact CB-CD2 4.18Å; L307-W325 HydrophobicContact CB-CG 3.97Å; L307-W325 HydrophobicContact CD1-CD2 3.93Å; L307-W325 VanDerWaalsContact CD1-CE2 3.45Å; L307-W325 HydrophobicContact CD1-CE3 4.27Å; L307-W325 HydrophobicContact CD1-CH2 3.78Å; L307-W325 HydrophobicContact CD1-CZ2 3.38Å; L307-W325 HydrophobicContact CD1-CZ3 4.21Å; A308-W325 CarbonylContact O-C 3.52Å; A308-W325 WeakPolarHBondContact O-CA 3.21Å; W325-C327 PolarHBondContact O-N 2.84Å; W325-C327 VanDerWaalsContact O-N 3.09Å; W325-E343 HydrophobicContact CB-CG 4.26Å; W325-E343 HydrophobicContact CE3-CB 4.22Å; W325-E343 CarbonylContact O-C 3.59Å; W325-E343 WeakPolarHBondContact O-CA 3.4Å; W325-D344 PolarHBondContact O-N 2.75Å
326K98.1Very high98.6Very high99 Ų9935.1 Ų35.143%0.4315%0.154SC..THydrogen-bonded Turntrans56.525.4170.7-53.7172-173.8156.10114.6A308 N309 T310 E343 D344A308-K326 PolarHBondContact O-N 3.21Å; N309-K326 HydrophobicContact CB-CG 4.24Å; N309-K326 WeakPolarHBondContact O-CA 3Å; T310-K326 PolarHBondContact OG1-N 2.91Å; K326-E343 HydrophobicContact CD-CG 4.41Å; K326-E343 WeakPolarHBondContact CE-OE1 3.43Å; K326-E343 IonicContact NZ-OE1 3.28Å; K326-E343 PolarHBondContact NZ-OE1 2.9Å; K326-D344 HydrophobicContact CB-CB 4.49Å; K326-D344 WeakPolarHBondContact O-CA 3.29Å
327C98.8Very high98.5Very high0 Ų039.6 Ų39.60%018%0.178CC..  trans-78.6155.2178-62.40000110.9T310 T311 I323 G324 W325 I329 G342 V345T310-C327 CarbonylContact C-O 3.54Å; T310-C327 VanDerWaalsContact CA-O 3.26Å; T310-C327 WeakPolarHBondContact CA-O 3.18Å; T310-C327 HydrophobicContact CG2-CB 3.9Å; T310-C327 WeakPolarHBondContact CG2-O 3.49Å; T310-C327 PolarHBondContact OG1-N 2.81Å; T311-C327 PolarHBondContact N-O 3.14Å; I323-C327 HydrophobicContact CG2-CB 3.77Å; G324-C327 PolarHBondContact O-SG 2.75Å; W325-C327 PolarHBondContact O-N 2.84Å; W325-C327 VanDerWaalsContact O-N 3.09Å; C327-I329 HydrophobicContact CB-CD1 4.23Å; C327-G342 PolarHBondContact SG-O 2.74Å; C327-V345 CarbonylContact C-O 3.57Å; C327-V345 WeakPolarHBondContact CA-O 3.17Å; C327-V345 VanDerWaalsContact CB-O 3.28Å; C327-V345 WeakPolarHBondContact CB-O 3.39Å
328C98.8Very high98.4Very high62 Ų6238.3 Ų38.342%0.41918%0.178SC..EExtended strand (participates in β ladder)trans-120.9108.5168.9-69.50000108.1V345 I346 V347C328-V345 PolarHBondContact N-O 2.83Å; C328-I346 HydrophobicContact CB-CG1 4.34Å; C328-I346 HydrophobicContact CB-CG2 4.44Å; C328-I346 CarbonylContact O-C 3.54Å; C328-I346 WeakPolarHBondContact O-CA 3.36Å; C328-V347 PolarHBondContact O-N 2.98Å
329I98.8Very high98.4Very high4 Ų438.3 Ų38.32%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-97.5120.4175.6-46.2-55.7000107.9T311 I312 D313 I318 I323 C327 V333 L341 V347T311-I329 PolarHBondContact O-N 2.88Å; I312-I329 HydrophobicContact CB-CB 4.4Å; I312-I329 HydrophobicContact CG1-CB 4.16Å; I312-I329 HydrophobicContact CG1-CG1 3.98Å; I312-I329 HydrophobicContact CG2-CB 4.26Å; I312-I329 HydrophobicContact CG2-CG2 4.47Å; D313-I329 WeakPolarHBondContact CB-O 3.37Å; D313-I329 PolarHBondContact N-O 3.14Å; I318-I329 HydrophobicContact CD1-CG2 4.22Å; I323-I329 HydrophobicContact CG2-CD1 4.15Å; I323-I329 HydrophobicContact CG2-CG1 4.31Å; C327-I329 HydrophobicContact CB-CD1 4.23Å; I329-V333 HydrophobicContact CG2-CB 3.72Å; I329-V333 HydrophobicContact CG2-CG1 3.58Å; I329-V333 HydrophobicContact CG2-CG2 3.97Å; I329-L341 HydrophobicContact CD1-CD1 3.41Å; I329-L341 VanDerWaalsContact CD1-CD1 3.41Å; I329-V347 HydrophobicContact CD1-CB 4.19Å; I329-V347 HydrophobicContact CD1-CG2 3.78Å; I329-V347 HydrophobicContact CG2-CB 4.47Å
330G98.7Very high98.4Very high9 Ų937 Ų379%0.09317%0.171CC..  trans-66.3-175.1-179.700000113.7S316 V333 V347 D349S316-G330 PolarHBondContact OG-O 2.94Å; G330-V333 WeakPolarHBondContact O-CG2 3.33Å; G330-V347 WeakPolarHBondContact CA-O 3.28Å; G330-V347 PolarHBondContact N-O 3.43Å; G330-D349 WeakPolarHBondContact CA-OD1 3.45Å
331R98.8Very high98.4Very high122 Ų12234.6 Ų34.646%0.4616%0.158SC..THydrogen-bonded Turntrans-78.1148.1-179.1-59.1171.4-177.2-175.71111D313 S314 V333 D349 E350D313-R331 HydrophobicContact CB-CG 3.83Å; D313-R331 VanDerWaalsContact CG-CG 3.45Å; D313-R331 IonicContact OD1-NE 2.82Å; D313-R331 VanDerWaalsContact OD2-CG 3.3Å; D313-R331 WeakPolarHBondContact OD2-CG 3.35Å; D313-R331 IonicContact OD2-CZ 3.2Å; D313-R331 IonicContact OD2-NE 2.68Å; D313-R331 PolarHBondContact OD2-NE 2.87Å; D313-R331 IonicContact OD2-NH2 3.74Å; S314-R331 WeakPolarHBondContact O-CA 3.37Å; R331-V333 PolarHBondContact O-N 2.92Å; R331-D349 HydrophobicContact CB-CB 4.36Å; R331-D349 PolarHBondContact N-OD1 2.72Å; R331-D349 CarbonylContact O-C 3.55Å; R331-D349 VanDerWaalsContact O-CA 3.27Å; R331-D349 WeakPolarHBondContact O-CA 3.3Å; R331-E350 PolarHBondContact O-N 2.75Å
332W98.6Very high98.4Very high149 Ų14934.6 Ų34.656%0.56416%0.158SC*.THydrogen-bonded Turntrans55.121.8176.8-52.6104000114.2S314 H315 S316 E350S314-W332 PolarHBondContact O-N 3.24Å; H315-W332 HydrophobicContact CB-CD2 3.66Å; H315-W332 HydrophobicContact CB-CE3 3.48Å; H315-W332 VanDerWaalsContact CB-CE3 3.48Å; H315-W332 HydrophobicContact CB-CH2 3.57Å; H315-W332 HydrophobicContact CB-CZ2 3.74Å; H315-W332 HydrophobicContact CB-CZ3 3.44Å; H315-W332 VanDerWaalsContact CB-CZ3 3.44Å; H315-W332 AromaticContact CD2-CE2 3.88Å; H315-W332 AromaticContact CD2-CH2 3.82Å; H315-W332 AromaticContact CD2-CZ2 3.42Å; H315-W332 VanDerWaalsContact CD2-CZ2 3.42Å; H315-W332 WeakPolarHBondContact CD2-CZ2 3.44Å; H315-W332 AromaticContact CG-CH2 3.57Å; H315-W332 AromaticContact CG-CZ2 3.63Å; H315-W332 AromaticContact CG-CZ3 3.98Å; S316-W332 PolarHBondContact OG-N 3.08Å; S316-W332 VanDerWaalsContact OG-N 3.17Å; W332-E350 HydrophobicContact CB-CG 4.06Å
333V98.8Very high98.3Very high1 Ų135.6 Ų35.61%0.00616%0.163CC..  trans-72.4138.8176.51680000108.9S316 W317 I329 G330 R331 M335 V347 N348 V351S316-V333 CarbonylContact C-O 3.59Å; S316-V333 VanDerWaalsContact CA-O 3.32Å; S316-V333 WeakPolarHBondContact CA-O 3.32Å; S316-V333 WeakPolarHBondContact CB-O 3.37Å; S316-V333 PolarHBondContact OG-N 2.78Å; W317-V333 PolarHBondContact N-O 3.32Å; I329-V333 HydrophobicContact CG2-CB 3.72Å; I329-V333 HydrophobicContact CG2-CG1 3.58Å; I329-V333 HydrophobicContact CG2-CG2 3.97Å; G330-V333 WeakPolarHBondContact O-CG2 3.33Å; R331-V333 PolarHBondContact O-N 2.92Å; V333-M335 HydrophobicContact CG1-CG 3.81Å; V333-M335 HydrophobicContact CG1-SD 4.37Å; V333-V347 HydrophobicContact CG1-CG1 3.94Å; V333-V347 HydrophobicContact CG2-CG1 3.86Å; V333-N348 WeakPolarHBondContact CG2-O 3.12Å; V333-V351 WeakPolarHBondContact CA-O 3.32Å; V333-V351 WeakPolarHBondContact CG1-O 3.42Å
334R98.7Very high98.3Very high118 Ų11838.9 Ų38.945%0.44518%0.18SC..EExtended strand (participates in β ladder)trans-116.7125.2175.2-173.6-175.8176.8121.83.4109.4W317 E336 V351 Y352 I353W317-R334 HydrophobicContact CE3-CG 3.62Å; W317-R334 HydrophobicContact CZ3-CG 3.89Å; W317-R334 CarbonylContact O-C 3.57Å; W317-R334 VanDerWaalsContact O-CA 3.29Å; W317-R334 WeakPolarHBondContact O-CA 3.29Å; R334-E336 IonicContact CZ-OE1 3.88Å; R334-E336 IonicContact CZ-OE2 3.93Å; R334-E336 VanDerWaalsContact CZ-OE2 3.28Å; R334-E336 IonicContact NE-OE1 2.75Å; R334-E336 IonicContact NE-OE2 3.63Å; R334-E336 PolarHBondContact NE-OE2 2.95Å; R334-E336 VanDerWaalsContact NH2-CD 3.26Å; R334-E336 IonicContact NH2-OE1 2.73Å; R334-E336 PolarHBondContact NH2-OE1 2.93Å; R334-E336 IonicContact NH2-OE2 2.65Å; R334-E336 PolarHBondContact NH2-OE2 3.2Å; R334-V351 PolarHBondContact N-O 2.76Å; R334-Y352 HydrophobicContact CB-CD2 3.79Å; R334-Y352 HydrophobicContact CG-CD2 3.73Å; R334-Y352 HydrophobicContact CG-CE2 4.04Å; R334-Y352 CarbonylContact O-C 3.57Å; R334-Y352 WeakPolarHBondContact O-CA 3.29Å; R334-Y352 WeakPolarHBondContact O-CD2 3.3Å; R334-I353 PolarHBondContact O-N 2.7Å
335M98.7Very high98.3Very high0 Ų038.9 Ų38.90%018%0.18CC..EExtended strand (participates in β ladder)trans-129.9133.6176.7-60.5-175.563.300112.1W317 I318 N319 I323 V333 L341 I353W317-M335 PolarHBondContact O-N 2.98Å; I318-M335 HydrophobicContact CB-CB 4.36Å; I318-M335 HydrophobicContact CD1-SD 4.1Å; I318-M335 HydrophobicContact CG1-CB 4.24Å; I318-M335 HydrophobicContact CG1-CG 4.32Å; I318-M335 HydrophobicContact CG1-SD 4.34Å; I318-M335 HydrophobicContact CG2-CB 3.97Å; I318-M335 HydrophobicContact CG2-SD 4.46Å; N319-M335 PolarHBondContact N-O 2.82Å; I323-M335 HydrophobicContact CD1-CE 3.47Å; I323-M335 VanDerWaalsContact CD1-CE 3.47Å; I323-M335 HydrophobicContact CD1-SD 3.62Å; V333-M335 HydrophobicContact CG1-CG 3.81Å; V333-M335 HydrophobicContact CG1-SD 4.37Å; M335-L341 HydrophobicContact CE-CD1 3.95Å; M335-L341 HydrophobicContact CE-CD2 3.8Å; M335-L341 HydrophobicContact CE-CG 3.83Å; M335-L341 HydrophobicContact SD-CD1 4.31Å; M335-I353 CarbonylContact C-O 3.56Å; M335-I353 VanDerWaalsContact CA-O 3.3Å; M335-I353 WeakPolarHBondContact CA-O 3.33Å; M335-I353 HydrophobicContact CE-CB 4.48Å; M335-I353 HydrophobicContact CE-CD1 4.24Å; M335-I353 HydrophobicContact CG-CB 4.1Å; M335-I353 HydrophobicContact CG-CD1 4.44Å; M335-I353 HydrophobicContact CG-CG1 4.43Å; M335-I353 HydrophobicContact SD-CD1 4.45Å
336E97.8Very high98.4Very high29 Ų2942.8 Ų42.814%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-141.2173.4-174.5-69.6-175114.700113.9W317 N319 R334 V338 S339 Y352 I353 G355W317-E336 HydrophobicContact CE3-CG 4.3Å; W317-E336 HydrophobicContact CH2-CG 3.68Å; W317-E336 WeakPolarHBondContact CH2-OE1 3.23Å; W317-E336 HydrophobicContact CZ3-CG 3.2Å; W317-E336 WeakPolarHBondContact CZ3-OE1 3.35Å; N319-E336 WeakPolarHBondContact O-CA 3.26Å; R334-E336 IonicContact CZ-OE1 3.88Å; R334-E336 IonicContact CZ-OE2 3.93Å; R334-E336 VanDerWaalsContact CZ-OE2 3.28Å; R334-E336 IonicContact NE-OE1 2.75Å; R334-E336 IonicContact NE-OE2 3.63Å; R334-E336 PolarHBondContact NE-OE2 2.95Å; R334-E336 VanDerWaalsContact NH2-CD 3.26Å; R334-E336 IonicContact NH2-OE1 2.73Å; R334-E336 PolarHBondContact NH2-OE1 2.93Å; R334-E336 IonicContact NH2-OE2 2.65Å; R334-E336 PolarHBondContact NH2-OE2 3.2Å; E336-V338 PolarHBondContact O-N 2.88Å; E336-S339 PolarHBondContact O-N 2.92Å; E336-S339 PolarHBondContact O-OG 2.96Å; E336-Y352 HydrophobicContact CG-CE2 4.42Å; E336-Y352 WeakPolarHBondContact OE2-CE2 3.3Å; E336-Y352 PolarHBondContact OE2-OH 3.4Å; E336-I353 PolarHBondContact N-O 2.85Å; E336-G355 PolarHBondContact O-N 2.77Å
337N96.5Very high98.4Very high94 Ų9438.1 Ų38.150%0.50318%0.18SC..SBendtrans55.345160.9-63.9-33.8000116N354 G355N337-N354 VanDerWaalsContact CB-OD1 3.29Å; N337-N354 WeakPolarHBondContact CB-OD1 3.46Å; N337-N354 PolarHBondContact ND2-OD1 2.79Å; N337-G355 WeakPolarHBondContact O-CA 3.32Å
338V97.5Very high98.4Very high39 Ų3941.9 Ų41.924%0.23620%0.2CC..SBendtrans67.546.5178.3-162.80000111.3P221 R222 I225 N320 E336P221-V338 HydrophobicContact CB-CG1 3.61Å; R222-V338 HydrophobicContact CB-CG1 4.33Å; R222-V338 HydrophobicContact CB-CG2 4.33Å; R222-V338 HydrophobicContact CG-CG2 4.42Å; I225-V338 HydrophobicContact CD1-CG1 4.02Å; I225-V338 HydrophobicContact CD1-CG2 4.42Å; N320-V338 WeakPolarHBondContact O-CA 3.41Å; N320-V338 PolarHBondContact O-N 2.84Å; E336-V338 PolarHBondContact O-N 2.88Å
339S98.4Very high98.4Very high0 Ų042.8 Ų42.80%020%0.201CC..EExtended strand (participates in β ladder)trans-70.3135.7169.3-64.50000110.1S321 I322 E336 I353 G355 A356S321-S339 CarbonylContact C-O 3.59Å; S321-S339 VanDerWaalsContact CA-O 3.22Å; S321-S339 WeakPolarHBondContact CA-O 3.34Å; S321-S339 WeakPolarHBondContact CB-O 3.24Å; I322-S339 PolarHBondContact N-O 3.22Å; E336-S339 PolarHBondContact O-N 2.92Å; E336-S339 PolarHBondContact O-OG 2.96Å; S339-I353 PolarHBondContact OG-O 3.44Å; S339-G355 PolarHBondContact OG-N 2.95Å; S339-A356 CarbonylContact C-O 3.54Å; S339-A356 VanDerWaalsContact CA-O 3.32Å; S339-A356 WeakPolarHBondContact CA-O 3.18Å
340V98.6Very high98.4Very high0 Ų049.4 Ų49.40%023%0.232CC..EExtended strand (participates in β ladder)trans-131120.4-178.6-170.20000110.3P16 L17 P221 I322 A356 K357 V358P16-V340 VanDerWaalsContact CD-CG1 3.5Å; P16-V340 HydrophobicContact CG-CB 4.34Å; P16-V340 HydrophobicContact CG-CG1 3.83Å; L17-V340 HydrophobicContact CD2-CG1 4.24Å; L17-V340 HydrophobicContact CG-CG1 4.08Å; P221-V340 HydrophobicContact CB-CG2 3.59Å; P221-V340 HydrophobicContact CG-CG2 3.78Å; I322-V340 HydrophobicContact CB-CG1 4.16Å; I322-V340 HydrophobicContact CB-CG2 4.47Å; I322-V340 CarbonylContact O-C 3.56Å; I322-V340 VanDerWaalsContact O-CA 3.28Å; I322-V340 WeakPolarHBondContact O-CA 3.48Å; V340-A356 PolarHBondContact N-O 3.3Å; V340-K357 CarbonylContact O-C 3.58Å; V340-K357 WeakPolarHBondContact O-CA 3.34Å; V340-V358 PolarHBondContact O-N 2.95Å
341L98.6Very high98.4Very high0 Ų049.2 Ų49.20%023%0.228CC..EExtended strand (participates in β ladder)trans-101.1138.6174.7-48.6-170.6000110.1L17 I322 I323 G324 I329 M335 V345 V347 I353 V358L17-L341 WeakPolarHBondContact CD2-O 3.14Å; I322-L341 PolarHBondContact O-N 3.17Å; I323-L341 HydrophobicContact CD1-CD1 3.99Å; I323-L341 HydrophobicContact CD1-CG 4.05Å; I323-L341 HydrophobicContact CG2-CD1 4.2Å; G324-L341 VanDerWaalsContact CA-O 3.29Å; G324-L341 WeakPolarHBondContact CA-O 3.11Å; G324-L341 PolarHBondContact N-O 2.63Å; I329-L341 HydrophobicContact CD1-CD1 3.41Å; I329-L341 VanDerWaalsContact CD1-CD1 3.41Å; M335-L341 HydrophobicContact CE-CD1 3.95Å; M335-L341 HydrophobicContact CE-CD2 3.8Å; M335-L341 HydrophobicContact CE-CG 3.83Å; M335-L341 HydrophobicContact SD-CD1 4.31Å; L341-V345 HydrophobicContact CB-CB 4.14Å; L341-V345 HydrophobicContact CB-CG1 4.38Å; L341-V345 HydrophobicContact CB-CG2 4.15Å; L341-V345 HydrophobicContact CD1-CB 4.36Å; L341-V345 HydrophobicContact CD1-CG1 4.05Å; L341-V345 HydrophobicContact CD2-CG1 4.37Å; L341-V347 HydrophobicContact CD1-CG2 3.85Å; L341-I353 HydrophobicContact CD2-CD1 4.43Å; L341-V358 HydrophobicContact CD2-CB 3.63Å; L341-V358 HydrophobicContact CD2-CG2 3.35Å
342G98.1Very high98.3Very high0 Ų046.3 Ų46.30%022%0.218CC..  trans-71.2-163.7171.100000112.5G324 C327 V358G324-G342 WeakPolarHBondContact CA-O 3.36Å; C327-G342 PolarHBondContact SG-O 2.74Å; G342-V358 PolarHBondContact N-O 3.1Å
343E98.2Very high98.3Very high21 Ų2139.2 Ų39.210%0.09819%0.191CC..THydrogen-bonded Turntrans-74.5141.8173.2-177.8165.7-172.100111.2T20 W325 K326 V345 P360 H361T20-E343 VanDerWaalsContact CB-OE2 3.24Å; T20-E343 WeakPolarHBondContact CB-OE2 3.45Å; T20-E343 HydrophobicContact CG2-CB 4.15Å; T20-E343 PolarHBondContact OG1-OE2 3.02Å; W325-E343 HydrophobicContact CB-CG 4.26Å; W325-E343 HydrophobicContact CE3-CB 4.22Å; W325-E343 CarbonylContact O-C 3.59Å; W325-E343 WeakPolarHBondContact O-CA 3.4Å; K326-E343 HydrophobicContact CD-CG 4.41Å; K326-E343 WeakPolarHBondContact CE-OE1 3.43Å; K326-E343 IonicContact NZ-OE1 3.28Å; K326-E343 PolarHBondContact NZ-OE1 2.9Å; E343-V345 VanDerWaalsContact C-N 3.35Å; E343-V345 PolarHBondContact O-N 2.9Å; E343-P360 HydrophobicContact CB-CB 4.38Å; E343-P360 CarbonylContact O-C 3.3Å; E343-P360 WeakPolarHBondContact O-CA 3.29Å; E343-P360 WeakPolarHBondContact O-CB 3.4Å; E343-H361 PolarHBondContact O-N 3.18Å
344D98.3Very high98.3Very high68 Ų6840.2 Ų40.236%0.36420%0.196SC..THydrogen-bonded Turntrans58.345.1169.6-171.943.6000112.9W325 K326 H361W325-D344 PolarHBondContact O-N 2.75Å; K326-D344 HydrophobicContact CB-CB 4.49Å; K326-D344 WeakPolarHBondContact O-CA 3.29Å; D344-H361 WeakPolarHBondContact CB-ND1 3.38Å; D344-H361 VanDerWaalsContact O-CA 3.28Å; D344-H361 WeakPolarHBondContact O-CA 3.43Å; D344-H361 PolarHBondContact O-N 2.79Å; D344-H361 IonicContact OD2-CE1 3.91Å; D344-H361 IonicContact OD2-CG 2.92Å; D344-H361 IonicContact OD2-ND1 3.79Å; D344-H361 PolarHBondContact OD2-ND1 2.85Å
345V98.7Very high98.2Very high0 Ų035.1 Ų35.10%018%0.181CC..  trans-92.5131.3173.4177.30000109.7C327 C328 L341 E343 V347 V358 L359 K362 I364C327-V345 CarbonylContact C-O 3.57Å; C327-V345 WeakPolarHBondContact CA-O 3.17Å; C327-V345 VanDerWaalsContact CB-O 3.28Å; C327-V345 WeakPolarHBondContact CB-O 3.39Å; C328-V345 PolarHBondContact N-O 2.83Å; L341-V345 HydrophobicContact CB-CB 4.14Å; L341-V345 HydrophobicContact CB-CG1 4.38Å; L341-V345 HydrophobicContact CB-CG2 4.15Å; L341-V345 HydrophobicContact CD1-CB 4.36Å; L341-V345 HydrophobicContact CD1-CG1 4.05Å; L341-V345 HydrophobicContact CD2-CG1 4.37Å; E343-V345 VanDerWaalsContact C-N 3.35Å; E343-V345 PolarHBondContact O-N 2.9Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V345-V358 HydrophobicContact CB-CG1 4.44Å; V345-V358 HydrophobicContact CG1-CB 4.31Å; V345-V358 HydrophobicContact CG1-CG1 3.62Å; V345-V358 HydrophobicContact CG2-CB 4.4Å; V345-V358 HydrophobicContact CG2-CG1 3.87Å; V345-L359 WeakPolarHBondContact CG2-O 3.42Å; V345-K362 CarbonylContact C-O 3.48Å; V345-K362 WeakPolarHBondContact CA-O 3.28Å; V345-I364 HydrophobicContact CG1-CG1 4.31Å
346I98.7Very high98.2Very high83 Ų8335.1 Ų35.143%0.42618%0.181SC..EExtended strand (participates in β ladder)trans-105.1122173.4-57.2174.1000107.8C328 K362 G363 I364C328-I346 HydrophobicContact CB-CG1 4.34Å; C328-I346 HydrophobicContact CB-CG2 4.44Å; C328-I346 CarbonylContact O-C 3.54Å; C328-I346 WeakPolarHBondContact O-CA 3.36Å; I346-K362 PolarHBondContact N-O 3.37Å; I346-G363 CarbonylContact O-C 3.52Å; I346-G363 VanDerWaalsContact O-CA 3.31Å; I346-G363 WeakPolarHBondContact O-CA 3.37Å; I346-I364 PolarHBondContact O-N 2.87Å
347V98.7Very high98.2Very high2 Ų237.1 Ų37.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-109.4120.6171.3-176.70000107.2C328 I329 G330 V333 L341 V345 V351 I353 I364C328-V347 PolarHBondContact O-N 2.98Å; I329-V347 HydrophobicContact CD1-CB 4.19Å; I329-V347 HydrophobicContact CD1-CG2 3.78Å; I329-V347 HydrophobicContact CG2-CB 4.47Å; G330-V347 WeakPolarHBondContact CA-O 3.28Å; G330-V347 PolarHBondContact N-O 3.43Å; V333-V347 HydrophobicContact CG1-CG1 3.94Å; V333-V347 HydrophobicContact CG2-CG1 3.86Å; L341-V347 HydrophobicContact CD1-CG2 3.85Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V347-V351 HydrophobicContact CG1-CB 3.8Å; V347-V351 HydrophobicContact CG1-CG1 3.92Å; V347-V351 HydrophobicContact CG1-CG2 4.4Å; V347-I353 HydrophobicContact CG1-CD1 3.88Å; V347-I353 HydrophobicContact CG2-CD1 3.83Å; V347-I364 HydrophobicContact CG1-CB 4.49Å; V347-I364 HydrophobicContact CG2-CB 4.4Å; V347-I364 HydrophobicContact CG2-CG1 4.37Å
348N98.6Very high98.3Very high78 Ų7832.7 Ų32.742%0.41717%0.165SC..  trans-68.6165.3179.5-72.4-2000111.6V333 V351 I364 S365V333-N348 WeakPolarHBondContact CG2-O 3.12Å; N348-V351 HydrophobicContact CB-CG2 4.21Å; N348-V351 WeakPolarHBondContact O-CG2 3.47Å; N348-I364 WeakPolarHBondContact CB-O 3.41Å; N348-I364 PolarHBondContact N-O 2.89Å; N348-S365 WeakPolarHBondContact ND2-CB 3.33Å
349D98.7Very high98.3Very high81 Ų8132.7 Ų32.743%0.43316%0.164SC..THydrogen-bonded Turntrans-55.5147.8175.2-64.4-3000111.5G330 R331 V351G330-D349 WeakPolarHBondContact CA-OD1 3.45Å; R331-D349 HydrophobicContact CB-CB 4.36Å; R331-D349 PolarHBondContact N-OD1 2.72Å; R331-D349 CarbonylContact O-C 3.55Å; R331-D349 VanDerWaalsContact O-CA 3.27Å; R331-D349 WeakPolarHBondContact O-CA 3.3Å; D349-V351 PolarHBondContact O-N 2.82Å
350E98.5Very high98.3Very high144 Ų14433.5 Ų33.567%0.67317%0.169SC*.THydrogen-bonded Turntrans62.422.2172-56.7176.9-176.900115R331 W332R331-E350 PolarHBondContact O-N 2.75Å; W332-E350 HydrophobicContact CB-CG 4.06Å
351V98.4Very high98.2Very high4 Ų439 Ų392%0.02420%0.195CC..  trans-89.7135.2176.1175.20000111.5V333 R334 V347 N348 D349 I353 I364 E366V333-V351 WeakPolarHBondContact CA-O 3.32Å; V333-V351 WeakPolarHBondContact CG1-O 3.42Å; R334-V351 PolarHBondContact N-O 2.76Å; V347-V351 HydrophobicContact CG1-CB 3.8Å; V347-V351 HydrophobicContact CG1-CG1 3.92Å; V347-V351 HydrophobicContact CG1-CG2 4.4Å; N348-V351 HydrophobicContact CB-CG2 4.21Å; N348-V351 WeakPolarHBondContact O-CG2 3.47Å; D349-V351 PolarHBondContact O-N 2.82Å; V351-I353 HydrophobicContact CG1-CD1 4.44Å; V351-I353 HydrophobicContact CG1-CG1 3.9Å; V351-I364 HydrophobicContact CG1-CG2 3.96Å; V351-E366 WeakPolarHBondContact CG1-O 3.45Å
352Y98.5Very high98.2Very high61 Ų6142.1 Ų42.124%0.23921%0.208CC..EExtended strand (participates in β ladder)trans-99.3129.9168.1174.7-129.7000111.2R334 E336 N354 N367 V368R334-Y352 HydrophobicContact CB-CD2 3.79Å; R334-Y352 HydrophobicContact CG-CD2 3.73Å; R334-Y352 HydrophobicContact CG-CE2 4.04Å; R334-Y352 CarbonylContact O-C 3.57Å; R334-Y352 WeakPolarHBondContact O-CA 3.29Å; R334-Y352 WeakPolarHBondContact O-CD2 3.3Å; E336-Y352 HydrophobicContact CG-CE2 4.42Å; E336-Y352 WeakPolarHBondContact OE2-CE2 3.3Å; E336-Y352 PolarHBondContact OE2-OH 3.4Å; Y352-N354 HydrophobicContact CE1-CB 3.84Å; Y352-N354 HydrophobicContact CE2-CB 4.29Å; Y352-N354 WeakPolarHBondContact OH-CB 3.24Å; Y352-N354 VanDerWaalsContact OH-CG 3.27Å; Y352-N354 PolarHBondContact OH-ND2 3.12Å; Y352-N367 PolarHBondContact N-OD1 3.44Å; Y352-V368 PolarHBondContact O-N 2.77Å
353I98.4Very high98.1Very high0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-123.5118.7175.4-51-176.9000111R334 M335 E336 S339 L341 V347 V351 A356 I364 V368R334-I353 PolarHBondContact O-N 2.7Å; M335-I353 CarbonylContact C-O 3.56Å; M335-I353 VanDerWaalsContact CA-O 3.3Å; M335-I353 WeakPolarHBondContact CA-O 3.33Å; M335-I353 HydrophobicContact CE-CB 4.48Å; M335-I353 HydrophobicContact CE-CD1 4.24Å; M335-I353 HydrophobicContact CG-CB 4.1Å; M335-I353 HydrophobicContact CG-CD1 4.44Å; M335-I353 HydrophobicContact CG-CG1 4.43Å; M335-I353 HydrophobicContact SD-CD1 4.45Å; E336-I353 PolarHBondContact N-O 2.85Å; S339-I353 PolarHBondContact OG-O 3.44Å; L341-I353 HydrophobicContact CD2-CD1 4.43Å; V347-I353 HydrophobicContact CG1-CD1 3.88Å; V347-I353 HydrophobicContact CG2-CD1 3.83Å; V351-I353 HydrophobicContact CG1-CD1 4.44Å; V351-I353 HydrophobicContact CG1-CG1 3.9Å; I353-A356 HydrophobicContact CG2-CB 3.69Å; I353-I364 HydrophobicContact CD1-CG2 4.42Å; I353-V368 HydrophobicContact CG2-CB 4.27Å; I353-V368 HydrophobicContact CG2-CG1 4.15Å
354N98Very high98.1Very high22 Ų2244.2 Ų44.212%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-114.897.3-177.6-17111.6000112N337 Y352 A356 V368 P369 E370 P371N337-N354 VanDerWaalsContact CB-OD1 3.29Å; N337-N354 WeakPolarHBondContact CB-OD1 3.46Å; N337-N354 PolarHBondContact ND2-OD1 2.79Å; Y352-N354 HydrophobicContact CE1-CB 3.84Å; Y352-N354 HydrophobicContact CE2-CB 4.29Å; Y352-N354 WeakPolarHBondContact OH-CB 3.24Å; Y352-N354 VanDerWaalsContact OH-CG 3.27Å; Y352-N354 PolarHBondContact OH-ND2 3.12Å; N354-A356 PolarHBondContact O-N 3.18Å; N354-V368 VanDerWaalsContact CB-O 3.3Å; N354-V368 WeakPolarHBondContact CB-O 3.44Å; N354-V368 PolarHBondContact N-O 2.74Å; N354-P369 WeakPolarHBondContact CB-O 3.4Å; N354-P369 PolarHBondContact ND2-O 2.92Å; N354-E370 CarbonylContact O-C 3.54Å; N354-P371 WeakPolarHBondContact O-CA 3.19Å
355G97.4Very high98Very high12 Ų1244.8 Ų44.812%0.12424%0.243CC..SBendtrans63.820.1174.800000115.9E336 N337 S339E336-G355 PolarHBondContact O-N 2.77Å; N337-G355 WeakPolarHBondContact O-CA 3.32Å; S339-G355 PolarHBondContact OG-N 2.95Å
356A97.3Very high97.9Very high0 Ų051.7 Ų51.70%028%0.275CS..  trans-81.7153.2-178.400000113.5S339 V340 I353 N354 V368 Y372S339-A356 CarbonylContact C-O 3.54Å; S339-A356 VanDerWaalsContact CA-O 3.32Å; S339-A356 WeakPolarHBondContact CA-O 3.18Å; V340-A356 PolarHBondContact N-O 3.3Å; I353-A356 HydrophobicContact CG2-CB 3.69Å; N354-A356 PolarHBondContact O-N 3.18Å; A356-V368 HydrophobicContact CB-CG1 3.37Å; A356-Y372 CarbonylContact C-O 3.48Å; A356-Y372 VanDerWaalsContact CA-O 3.23Å; A356-Y372 WeakPolarHBondContact CA-O 3.42Å; A356-Y372 VanDerWaalsContact CB-O 3.29Å; A356-Y372 WeakPolarHBondContact CB-O 3.35Å
357K98Very high97.9Very high71 Ų7152.4 Ų52.431%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-109.7111.1171.6-67.9-175.5179.9-170.70108.9V340 Y372 I373 I374V340-K357 CarbonylContact O-C 3.58Å; V340-K357 WeakPolarHBondContact O-CA 3.34Å; K357-Y372 PolarHBondContact N-O 2.99Å; K357-I373 HydrophobicContact CB-CG1 4.24Å; K357-I373 CarbonylContact O-C 3.53Å; K357-I373 VanDerWaalsContact O-CA 3.3Å; K357-I373 WeakPolarHBondContact O-CA 3.33Å; K357-I374 PolarHBondContact O-N 2.82Å
358V98.2Very high97.8Very high0 Ų052.3 Ų52.30%028%0.279CS..EExtended strand (participates in β ladder)trans-101.9119.4-175.7-1740000109.8P16 V340 L341 G342 V345 K362 I364 I374P16-V358 WeakPolarHBondContact CB-O 3.4Å; P16-V358 VanDerWaalsContact CG-O 3.22Å; P16-V358 WeakPolarHBondContact CG-O 3.35Å; V340-V358 PolarHBondContact O-N 2.95Å; L341-V358 HydrophobicContact CD2-CB 3.63Å; L341-V358 HydrophobicContact CD2-CG2 3.35Å; G342-V358 PolarHBondContact N-O 3.1Å; V345-V358 HydrophobicContact CB-CG1 4.44Å; V345-V358 HydrophobicContact CG1-CB 4.31Å; V345-V358 HydrophobicContact CG1-CG1 3.62Å; V345-V358 HydrophobicContact CG2-CB 4.4Å; V345-V358 HydrophobicContact CG2-CG1 3.87Å; V358-K362 HydrophobicContact CG1-CB 3.79Å; V358-K362 HydrophobicContact CG1-CG 4.27Å; V358-I364 HydrophobicContact CG1-CD1 3.71Å; V358-I364 HydrophobicContact CG1-CG1 4.03Å; V358-I364 HydrophobicContact CG2-CD1 4.48Å; V358-I364 HydrophobicContact CG2-CG1 4.45Å; V358-I374 HydrophobicContact CB-CB 4.45Å; V358-I374 HydrophobicContact CG1-CB 4.16Å; V358-I374 HydrophobicContact CG1-CD1 4.45Å; V358-I374 HydrophobicContact CG1-CG2 4.36Å; V358-I374 HydrophobicContact CG2-CB 4.27Å; V358-I374 HydrophobicContact CG2-CD1 3.54Å; V358-I374 HydrophobicContact CG2-CG1 4.27Å
359L98.1Very high97.7Very high39 Ų3952 Ų5220%0.20428%0.281CS..PPolyproline II helixtrans-65.3161179.6-63.1-157.5000111.5P16 L19 V345 K362 I373 I374 M375P16-L359 HydrophobicContact CB-CD2 4.01Å; L19-L359 HydrophobicContact CD1-CD1 4.31Å; L19-L359 HydrophobicContact CD1-CD2 3.59Å; L19-L359 HydrophobicContact CD1-CG 4.36Å; V345-L359 WeakPolarHBondContact CG2-O 3.42Å; L359-K362 HydrophobicContact CB-CG 4.42Å; L359-K362 WeakPolarHBondContact O-CG 3.27Å; L359-I373 HydrophobicContact CD2-CG2 4.09Å; L359-I373 HydrophobicContact CG-CG2 4.35Å; L359-I374 WeakPolarHBondContact CB-O 3.07Å; L359-I374 VanDerWaalsContact CG-O 3.29Å; L359-I374 WeakPolarHBondContact CG-O 3.17Å; L359-I374 PolarHBondContact N-O 2.77Å; L359-M375 HydrophobicContact CD1-CB 4.2Å; L359-M375 HydrophobicContact CD1-CG 4.09Å
360P98.1Very high97.5Very high17 Ų1754.4 Ų54.411%0.1129%0.29CS..SBendtrans-58.5152.4179-23.933.3000113.7L19 T20 E343L19-P360 HydrophobicContact CB-CG 4.08Å; L19-P360 HydrophobicContact CD1-CG 4.37Å; T20-P360 HydrophobicContact CG2-CB 3.86Å; T20-P360 HydrophobicContact CG2-CG 3.65Å; E343-P360 HydrophobicContact CB-CB 4.38Å; E343-P360 CarbonylContact O-C 3.3Å; E343-P360 WeakPolarHBondContact O-CA 3.29Å; E343-P360 WeakPolarHBondContact O-CB 3.4Å
361H97.7Very high97.3Very high116 Ų11651.6 Ų51.654%0.53728%0.284SS..SBendtrans60.444175-47.7-66.5000113.7E343 D344E343-H361 PolarHBondContact O-N 3.18Å; D344-H361 WeakPolarHBondContact CB-ND1 3.38Å; D344-H361 VanDerWaalsContact O-CA 3.28Å; D344-H361 WeakPolarHBondContact O-CA 3.43Å; D344-H361 PolarHBondContact O-N 2.79Å; D344-H361 IonicContact OD2-CE1 3.91Å; D344-H361 IonicContact OD2-CG 2.92Å; D344-H361 IonicContact OD2-ND1 3.79Å; D344-H361 PolarHBondContact OD2-ND1 2.85Å
362K97.4Very high97Very high66 Ų6656.2 Ų56.229%0.28730%0.302SS..  trans-117.2144.7-178.2-61.9-66.7155.61660112.1V345 I346 V358 L359 I364 M375V345-K362 CarbonylContact C-O 3.48Å; V345-K362 WeakPolarHBondContact CA-O 3.28Å; I346-K362 PolarHBondContact N-O 3.37Å; V358-K362 HydrophobicContact CG1-CB 3.79Å; V358-K362 HydrophobicContact CG1-CG 4.27Å; L359-K362 HydrophobicContact CB-CG 4.42Å; L359-K362 WeakPolarHBondContact O-CG 3.27Å; K362-I364 HydrophobicContact CB-CD1 4.32Å; K362-M375 WeakPolarHBondContact CD-O 3.36Å; K362-M375 VanDerWaalsContact CE-O 3.26Å; K362-M375 WeakPolarHBondContact CE-O 3.47Å; K362-M375 WeakPolarHBondContact CE-OXT 3.41Å; K362-M375 PolarHBondContact NZ-O 2.82Å; K362-M375 PolarHBondContact NZ-OXT 2.75Å
363G96.8Very high96.8Very high57 Ų5758.2 Ų58.259%0.58832%0.316SS*.EExtended strand (participates in β ladder)trans-104.8125.9168.200000110.2I346I346-G363 CarbonylContact O-C 3.52Å; I346-G363 VanDerWaalsContact O-CA 3.31Å; I346-G363 WeakPolarHBondContact O-CA 3.37Å
364I97.3Very high96.4Very high8 Ų859.2 Ų59.24%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-109.3110.8177.8-48.5-49.7000108.3V345 I346 V347 N348 V351 I353 V358 K362 V368 I374V345-I364 HydrophobicContact CG1-CG1 4.31Å; I346-I364 PolarHBondContact O-N 2.87Å; V347-I364 HydrophobicContact CG1-CB 4.49Å; V347-I364 HydrophobicContact CG2-CB 4.4Å; V347-I364 HydrophobicContact CG2-CG1 4.37Å; N348-I364 WeakPolarHBondContact CB-O 3.41Å; N348-I364 PolarHBondContact N-O 2.89Å; V351-I364 HydrophobicContact CG1-CG2 3.96Å; I353-I364 HydrophobicContact CD1-CG2 4.42Å; V358-I364 HydrophobicContact CG1-CD1 3.71Å; V358-I364 HydrophobicContact CG1-CG1 4.03Å; V358-I364 HydrophobicContact CG2-CD1 4.48Å; V358-I364 HydrophobicContact CG2-CG1 4.45Å; K362-I364 HydrophobicContact CB-CD1 4.32Å; I364-V368 HydrophobicContact CG2-CG2 4.2Å; I364-I374 HydrophobicContact CD1-CB 4.28Å; I364-I374 HydrophobicContact CD1-CD1 3.45Å; I364-I374 VanDerWaalsContact CD1-CD1 3.45Å; I364-I374 HydrophobicContact CD1-CG1 4.3Å; I364-I374 HydrophobicContact CD1-CG2 3.64Å; I364-I374 HydrophobicContact CG1-CD1 4.12Å; I364-I374 HydrophobicContact CG2-CD1 4.36Å
365S96.9Very high96Very high79 Ų7966 Ų6655%0.55235%0.354SS*.  trans-110.5-5-179.457.10000113.9N348N348-S365 WeakPolarHBondContact ND2-CB 3.33Å
366E96.8Very high96Very high146 Ų14668.7 Ų68.768%0.68237%0.365SS*.SBendtrans-130.2153.3-174.5-64.7-176176.200110.8V351V351-E366 WeakPolarHBondContact CG1-O 3.45Å
367N97.7Very high95.9Very high97 Ų9772.3 Ų72.352%0.51939%0.385SS..  trans-62144.7177.1-68.8-40.1000111.7Y352 P369Y352-N367 PolarHBondContact N-OD1 3.44Å; N367-P369 WeakPolarHBondContact O-CD 2.9Å
368V97.2Very high95.8Very high0 Ų072.4 Ų72.40%039%0.389CS..BIsolated β-bridgetrans-123.179.2-178.9171.70000107.7Y352 I353 N354 A356 I364 E370 Y372 I374Y352-V368 PolarHBondContact O-N 2.77Å; I353-V368 HydrophobicContact CG2-CB 4.27Å; I353-V368 HydrophobicContact CG2-CG1 4.15Å; N354-V368 VanDerWaalsContact CB-O 3.3Å; N354-V368 WeakPolarHBondContact CB-O 3.44Å; N354-V368 PolarHBondContact N-O 2.74Å; A356-V368 HydrophobicContact CB-CG1 3.37Å; I364-V368 HydrophobicContact CG2-CG2 4.2Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 2.68Å; V368-Y372 HydrophobicContact CB-CD1 4.44Å; V368-Y372 HydrophobicContact CB-CE1 3.58Å; V368-Y372 HydrophobicContact CG1-CD1 3.43Å; V368-Y372 VanDerWaalsContact CG1-CD1 3.43Å; V368-Y372 HydrophobicContact CG1-CE1 2.98Å; V368-Y372 HydrophobicContact CG1-CG 4.49Å; V368-Y372 HydrophobicContact CG2-CE1 3.58Å; V368-Y372 WeakPolarHBondContact CG2-OH 3.26Å; V368-I374 HydrophobicContact CG2-CD1 3.87Å
369P96.1Very high95.6Very high72 Ų7276.6 Ų76.647%0.46841%0.412SS..  trans-76.1-18.8-170.430.5-36.1000113.5N354 N367N354-P369 WeakPolarHBondContact CB-O 3.4Å; N354-P369 PolarHBondContact ND2-O 2.92Å; N367-P369 WeakPolarHBondContact O-CD 2.9Å
370E95.4Very high95.5Very high131 Ų13179 Ų7961%0.61243%0.425SS*.SBendtrans-125152.1-177.8-66-59.9152.400111N354 V368 Y372N354-E370 CarbonylContact O-C 3.54Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 2.68Å; E370-Y372 VanDerWaalsContact O-CD1 3.24Å; E370-Y372 WeakPolarHBondContact O-CD1 3.3Å; E370-Y372 PolarHBondContact O-N 2.78Å; E370-Y372 VanDerWaalsContact O-N 3.12Å
371P93.9Very high95.3Very high85 Ų8583.1 Ų83.155%0.55245%0.446SS*.  trans-60.9115.5175.9-24.735000112N354N354-P371 WeakPolarHBondContact O-CA 3.19Å
372Y91.8Very high95.1Very high101 Ų10180.8 Ų80.840%0.39644%0.439SS..  trans-147.1163.9173.877.3-96.7000112.4A356 K357 V368 E370 I374A356-Y372 CarbonylContact C-O 3.48Å; A356-Y372 VanDerWaalsContact CA-O 3.23Å; A356-Y372 WeakPolarHBondContact CA-O 3.42Å; A356-Y372 VanDerWaalsContact CB-O 3.29Å; A356-Y372 WeakPolarHBondContact CB-O 3.35Å; K357-Y372 PolarHBondContact N-O 2.99Å; V368-Y372 HydrophobicContact CB-CD1 4.44Å; V368-Y372 HydrophobicContact CB-CE1 3.58Å; V368-Y372 HydrophobicContact CG1-CD1 3.43Å; V368-Y372 VanDerWaalsContact CG1-CD1 3.43Å; V368-Y372 HydrophobicContact CG1-CE1 2.98Å; V368-Y372 HydrophobicContact CG1-CG 4.49Å; V368-Y372 HydrophobicContact CG2-CE1 3.58Å; V368-Y372 WeakPolarHBondContact CG2-OH 3.26Å; E370-Y372 VanDerWaalsContact O-CD1 3.24Å; E370-Y372 WeakPolarHBondContact O-CD1 3.3Å; E370-Y372 PolarHBondContact O-N 2.78Å; E370-Y372 VanDerWaalsContact O-N 3.12Å; Y372-I374 HydrophobicContact CD2-CG1 3.8Å; Y372-I374 HydrophobicContact CE1-CG1 4.46Å; Y372-I374 HydrophobicContact CE2-CB 4.1Å; Y372-I374 HydrophobicContact CE2-CD1 3.92Å; Y372-I374 HydrophobicContact CE2-CG1 3Å; Y372-I374 WeakPolarHBondContact OH-CD1 3.31Å; Y372-I374 WeakPolarHBondContact OH-CG1 3.4Å
373I94.2Very high94.9Very high104 Ų10481.9 Ų81.953%0.53345%0.451SS..EExtended strand (participates in β ladder)trans-94118175.4-57177.8000108.5K357 L359 M375K357-I373 HydrophobicContact CB-CG1 4.24Å; K357-I373 CarbonylContact O-C 3.53Å; K357-I373 VanDerWaalsContact O-CA 3.3Å; K357-I373 WeakPolarHBondContact O-CA 3.33Å; L359-I373 HydrophobicContact CD2-CG2 4.09Å; L359-I373 HydrophobicContact CG-CG2 4.35Å; I373-M375 HydrophobicContact CG2-CG 4.07Å
374I91.4Very high94.8Very high21 Ų2184 Ų8411%0.10844%0.439CS..EExtended strand (participates in β ladder)trans-89.5110.2173.3-61.1163.8000108.1K357 V358 L359 I364 V368 Y372K357-I374 PolarHBondContact O-N 2.82Å; V358-I374 HydrophobicContact CB-CB 4.45Å; V358-I374 HydrophobicContact CG1-CB 4.16Å; V358-I374 HydrophobicContact CG1-CD1 4.45Å; V358-I374 HydrophobicContact CG1-CG2 4.36Å; V358-I374 HydrophobicContact CG2-CB 4.27Å; V358-I374 HydrophobicContact CG2-CD1 3.54Å; V358-I374 HydrophobicContact CG2-CG1 4.27Å; L359-I374 WeakPolarHBondContact CB-O 3.07Å; L359-I374 VanDerWaalsContact CG-O 3.29Å; L359-I374 WeakPolarHBondContact CG-O 3.17Å; L359-I374 PolarHBondContact N-O 2.77Å; I364-I374 HydrophobicContact CD1-CB 4.28Å; I364-I374 HydrophobicContact CD1-CD1 3.45Å; I364-I374 VanDerWaalsContact CD1-CD1 3.45Å; I364-I374 HydrophobicContact CD1-CG1 4.3Å; I364-I374 HydrophobicContact CD1-CG2 3.64Å; I364-I374 HydrophobicContact CG1-CD1 4.12Å; I364-I374 HydrophobicContact CG2-CD1 4.36Å; V368-I374 HydrophobicContact CG2-CD1 3.87Å; Y372-I374 HydrophobicContact CD2-CG1 3.8Å; Y372-I374 HydrophobicContact CE1-CG1 4.46Å; Y372-I374 HydrophobicContact CE2-CB 4.1Å; Y372-I374 HydrophobicContact CE2-CD1 3.92Å; Y372-I374 HydrophobicContact CE2-CG1 3Å; Y372-I374 WeakPolarHBondContact OH-CD1 3.31Å; Y372-I374 WeakPolarHBondContact OH-CG1 3.4Å
375M89Confident94.6Very high164 Ų16490.9 Ų90.981%0.80848%0.475SS*.  trans-89.10-171.6-71.4-171.8-66.700115.6L359 K362 I373L359-M375 HydrophobicContact CD1-CB 4.2Å; L359-M375 HydrophobicContact CD1-CG 4.09Å; K362-M375 WeakPolarHBondContact CD-O 3.36Å; K362-M375 VanDerWaalsContact CE-O 3.26Å; K362-M375 WeakPolarHBondContact CE-O 3.47Å; K362-M375 WeakPolarHBondContact CE-OXT 3.41Å; K362-M375 PolarHBondContact NZ-O 2.82Å; K362-M375 PolarHBondContact NZ-OXT 2.75Å; I373-M375 HydrophobicContact CG2-CG 4.07Å

Retrieved 375 of 375 residues in 135.5 ms (Link to these results)

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