A0A077Z0R7_TRITR Loading...

Hydroxysteroid dehydrogenase-like protein 2

AlphaFold DB , UniProt , Accession A0A077Z0R7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 411 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
1M83.9Confident96.2Very high65 Ų6554.9 Ų54.932%0.3236%0.355SS..  0136.50-177.6-172.6-179.800110K28 D227 Y230 A231 I234 L254 Y262M1-K28 PolarHBondContact O-NZ 3.36Å; M1-D227 HydrophobicContact CB-CB 4Å; M1-D227 PolarHBondContact N-OD2 3.18Å; M1-Y230 HydrophobicContact CE-CD1 3.79Å; M1-Y230 HydrophobicContact CE-CE1 4.01Å; M1-Y230 HydrophobicContact SD-CD1 3.91Å; M1-A231 HydrophobicContact CE-CB 4.26Å; M1-A231 HydrophobicContact SD-CB 3.99Å; M1-I234 HydrophobicContact CE-CD1 4.07Å; M1-L254 HydrophobicContact CE-CD1 3.65Å; M1-L254 HydrophobicContact SD-CD1 3.73Å; M1-Y262 PolarHBondContact N-OH 3.43Å
2A91.9Very high96.4Very high81 Ų8150.3 Ų50.367%0.66933%0.325SS*.  trans-77.3154.7174.200000112
3N96Very high96.6Very high47 Ų4746.5 Ų46.525%0.25130%0.3SS..  trans-74.7145.4172.9-87.376.5000110.5K28 D32N3-K28 PolarHBondContact ND2-O 3.49Å; N3-K28 WeakPolarHBondContact OD1-CD 3.45Å; N3-K28 WeakPolarHBondContact OD1-CE 3.45Å; N3-K28 PolarHBondContact OD1-NZ 3.27Å; N3-D32 WeakPolarHBondContact CB-OD1 3.24Å; N3-D32 PolarHBondContact ND2-OD1 2.91Å
4T97Very high96.8Very high76 Ų7643.1 Ų43.147%0.46628%0.279SS..  trans-111.3-7.8-175.168.40000113.6K6 Y230T4-K6 PolarHBondContact O-N 3.25Å; T4-K6 WeakPolarHBondContact OG1-CB 3.36Å; T4-K6 WeakPolarHBondContact OG1-CG 3.5Å; T4-K6 PolarHBondContact OG1-N 2.93Å; T4-Y230 HydrophobicContact CG2-CE1 4.24Å; T4-Y230 PolarHBondContact N-OH 2.67Å; T4-Y230 PolarHBondContact OG1-OH 3.31Å
5G97.7Very high96.9Very high37 Ų3740.4 Ų40.438%0.38126%0.261SS..SBendtrans78.5-2.9-173.900000114.8L7 A8 D32G5-L7 PolarHBondContact O-N 2.74Å; G5-A8 WeakPolarHBondContact O-CB 3.17Å; G5-A8 PolarHBondContact O-N 3.43Å; G5-D32 VanDerWaalsContact C-OD2 3.27Å; G5-D32 WeakPolarHBondContact CA-OD2 3.36Å; G5-D32 VanDerWaalsContact N-CG 3.28Å; G5-D32 PolarHBondContact N-OD1 2.7Å; G5-D32 PolarHBondContact N-OD2 2.92Å
6K98Very high97Very high136 Ų13639 Ų3959%0.59126%0.256SS*.THydrogen-bonded Turntrans-65.1-19.7-178.1-75.7-177.1175.1-174.30114.6T4 D32 I234T4-K6 PolarHBondContact O-N 3.25Å; T4-K6 WeakPolarHBondContact OG1-CB 3.36Å; T4-K6 WeakPolarHBondContact OG1-CG 3.5Å; T4-K6 PolarHBondContact OG1-N 2.93Å; K6-D32 PolarHBondContact N-OD2 3.03Å; K6-D32 VanDerWaalsContact N-OD2 3.11Å; K6-I234 HydrophobicContact CB-CB 4.29Å; K6-I234 HydrophobicContact CB-CG2 3.79Å; K6-I234 HydrophobicContact CD-CB 3.88Å; K6-I234 HydrophobicContact CD-CD1 4.33Å; K6-I234 HydrophobicContact CD-CG2 4.25Å
7L98.6Very high97.1Very high6 Ų636.7 Ų36.73%0.03124%0.241CC..THydrogen-bonded Turntrans-94.67174.5-58.7-177.6000113.4G5 G9 K10 A29 D32 A34 Y230 L233 I234G5-L7 PolarHBondContact O-N 2.74Å; L7-G9 PolarHBondContact O-N 2.56Å; L7-K10 HydrophobicContact CB-CB 4.47Å; L7-K10 HydrophobicContact CD2-CG 4.45Å; L7-K10 VanDerWaalsContact O-CB 3.29Å; L7-K10 WeakPolarHBondContact O-CB 3.38Å; L7-K10 PolarHBondContact O-N 3.11Å; L7-A29 HydrophobicContact CD1-CB 3.83Å; L7-D32 HydrophobicContact CB-CB 3.88Å; L7-D32 PolarHBondContact N-OD2 2.84Å; L7-A34 HydrophobicContact CB-CB 4.35Å; L7-A34 WeakPolarHBondContact O-CA 3.43Å; L7-A34 WeakPolarHBondContact O-CB 3.29Å; L7-Y230 HydrophobicContact CD1-CD2 3.61Å; L7-Y230 HydrophobicContact CD1-CE2 3.6Å; L7-Y230 HydrophobicContact CG-CD2 4.39Å; L7-Y230 HydrophobicContact CG-CE2 3.92Å; L7-L233 HydrophobicContact CD2-CB 4.45Å; L7-I234 HydrophobicContact CD2-CG2 4.2Å; L7-I234 HydrophobicContact CG-CG2 4.18Å
8A98.6Very high97.1Very high59 Ų5934.7 Ų34.749%0.48823%0.228SC..THydrogen-bonded Turntrans-55.6126.8177.100000111.4G5 K10 D32G5-A8 WeakPolarHBondContact O-CB 3.17Å; G5-A8 PolarHBondContact O-N 3.43Å; A8-K10 PolarHBondContact O-N 3.22Å; A8-K10 VanDerWaalsContact O-N 3.12Å; A8-D32 WeakPolarHBondContact CA-O 3.02Å; A8-D32 WeakPolarHBondContact CB-O 3.35Å
9G98.5Very high97Very high47 Ų4736 Ų3649%0.48523%0.228SC..THydrogen-bonded Turntrans68.51-178.600000115.5L7 G33 N35L7-G9 PolarHBondContact O-N 2.56Å; G9-G33 PolarHBondContact N-O 3.49Å; G9-N35 PolarHBondContact O-ND2 3.39Å
10K98.8Very high97Very high48 Ų4835.4 Ų35.421%0.20923%0.229CC..  trans-76.1141.7176.2-62.9-58.3-169.4176.90111.2L7 A8 L12 N35 D95L7-K10 HydrophobicContact CB-CB 4.47Å; L7-K10 HydrophobicContact CD2-CG 4.45Å; L7-K10 VanDerWaalsContact O-CB 3.29Å; L7-K10 WeakPolarHBondContact O-CB 3.38Å; L7-K10 PolarHBondContact O-N 3.11Å; A8-K10 PolarHBondContact O-N 3.22Å; A8-K10 VanDerWaalsContact O-N 3.12Å; K10-L12 HydrophobicContact CB-CD1 4.17Å; K10-N35 PolarHBondContact O-N 2.75Å; K10-D95 WeakPolarHBondContact CA-OD2 3.45Å; K10-D95 HydrophobicContact CB-CB 4.27Å; K10-D95 HydrophobicContact CD-CB 4.02Å; K10-D95 VanDerWaalsContact CD-CG 3.44Å; K10-D95 WeakPolarHBondContact CD-OD1 3.21Å; K10-D95 WeakPolarHBondContact CD-OD2 3.19Å; K10-D95 IonicContact NZ-OD1 3.83Å; K10-D95 PolarHBondContact NZ-OD1 2.9Å
11T98.9Very high97.1Very high2 Ų235 Ų351%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-100.5114.7179.5-56.20000111.5N35 V37 F91 G93 D95 V96T11-N35 CarbonylContact C-O 3.29Å; T11-N35 WeakPolarHBondContact CA-O 3.34Å; T11-N35 HydrophobicContact CG2-CB 4.31Å; T11-N35 PolarHBondContact OG1-ND2 3.03Å; T11-V37 HydrophobicContact CG2-CG2 4.07Å; T11-F91 HydrophobicContact CG2-CB 4.01Å; T11-F91 HydrophobicContact CG2-CD2 3.84Å; T11-F91 HydrophobicContact CG2-CG 4.25Å; T11-F91 VanDerWaalsContact OG1-CB 3.32Å; T11-F91 WeakPolarHBondContact OG1-CB 3.19Å; T11-G93 VanDerWaalsContact CB-O 3.23Å; T11-G93 WeakPolarHBondContact CB-O 3.29Å; T11-G93 VanDerWaalsContact CG2-O 3.24Å; T11-G93 WeakPolarHBondContact CG2-O 3.2Å; T11-G93 PolarHBondContact OG1-O 2.8Å; T11-D95 PolarHBondContact N-OD2 2.86Å; T11-D95 PolarHBondContact O-N 3.33Å; T11-V96 PolarHBondContact O-N 2.77Å; T11-V96 VanDerWaalsContact O-N 3.08Å
12L98.9Very high97.8Very high0 Ų031.9 Ų31.90%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4119.9176.9-72.163.4000109.9K10 I14 A29 A34 N35 I36 V37 V96 I98 L233K10-L12 HydrophobicContact CB-CD1 4.17Å; L12-I14 HydrophobicContact CB-CD1 4.05Å; L12-I14 HydrophobicContact CB-CG1 3.98Å; L12-I14 HydrophobicContact CD2-CD1 4.17Å; L12-A29 HydrophobicContact CD1-CB 4.48Å; L12-A29 HydrophobicContact CD2-CB 3.32Å; L12-A34 HydrophobicContact CD1-CB 4.11Å; L12-N35 PolarHBondContact N-O 3.18Å; L12-I36 HydrophobicContact CB-CD1 4.01Å; L12-I36 HydrophobicContact CD2-CD1 4.12Å; L12-I36 HydrophobicContact CG-CD1 4.43Å; L12-V37 PolarHBondContact O-N 3.22Å; L12-V96 CarbonylContact C-O 3.57Å; L12-V96 WeakPolarHBondContact CA-O 3.39Å; L12-V96 HydrophobicContact CB-CB 4.39Å; L12-V96 HydrophobicContact CD1-CB 4.38Å; L12-V96 HydrophobicContact CD1-CG2 4.33Å; L12-V96 HydrophobicContact CG-CB 3.81Å; L12-V96 HydrophobicContact CG-CG1 4.14Å; L12-V96 HydrophobicContact CG-CG2 4.2Å; L12-I98 HydrophobicContact CD2-CD1 4.37Å; L12-L233 HydrophobicContact CD2-CD1 4.33Å
13F98.9Very high98.1Very high0 Ų030.8 Ų30.80%019%0.189CC..EExtended strand (participates in β ladder)trans-94.3110.2170.9-165.9-80.1000109.5T15 V37 V39 A83 V84 A87 I94 V96 L97 I98F13-T15 HydrophobicContact CE1-CG2 4.33Å; F13-V37 HydrophobicContact CD2-CB 3.9Å; F13-V37 HydrophobicContact CD2-CG1 3.78Å; F13-V37 HydrophobicContact CD2-CG2 4.3Å; F13-V37 HydrophobicContact CE2-CG1 3.92Å; F13-V37 HydrophobicContact CG-CB 4.41Å; F13-V39 HydrophobicContact CD1-CG2 3.96Å; F13-V39 HydrophobicContact CD2-CG2 4.24Å; F13-V39 HydrophobicContact CE1-CB 4.09Å; F13-V39 HydrophobicContact CE1-CG1 4.14Å; F13-V39 HydrophobicContact CE1-CG2 3.47Å; F13-V39 VanDerWaalsContact CE1-CG2 3.47Å; F13-V39 HydrophobicContact CE2-CG2 3.77Å; F13-V39 HydrophobicContact CG-CG2 4.35Å; F13-V39 HydrophobicContact CZ-CB 4.33Å; F13-V39 HydrophobicContact CZ-CG1 4.24Å; F13-V39 HydrophobicContact CZ-CG2 3.39Å; F13-A83 HydrophobicContact CE2-CB 4.24Å; F13-A83 HydrophobicContact CZ-CB 4.14Å; F13-V84 HydrophobicContact CD2-CG2 4.41Å; F13-V84 HydrophobicContact CE1-CG2 4.47Å; F13-V84 HydrophobicContact CE2-CB 4.41Å; F13-V84 HydrophobicContact CE2-CG2 3.7Å; F13-V84 HydrophobicContact CZ-CG2 3.69Å; F13-A87 HydrophobicContact CD2-CB 4.15Å; F13-A87 HydrophobicContact CE2-CB 4.42Å; F13-I94 HydrophobicContact CB-CD1 4.43Å; F13-I94 HydrophobicContact CB-CG2 4.11Å; F13-I94 HydrophobicContact CD2-CD1 4.07Å; F13-V96 PolarHBondContact N-O 2.89Å; F13-L97 HydrophobicContact CB-CD1 4.41Å; F13-L97 HydrophobicContact CD1-CD1 3.75Å; F13-L97 WeakPolarHBondContact O-CA 3.49Å; F13-L97 WeakPolarHBondContact O-CD1 3.45Å; F13-I98 PolarHBondContact O-N 2.94Å
14I98.9Very high98.2Very high0 Ų029.2 Ų29.20%018%0.183CC..EExtended strand (participates in β ladder)trans-121.3113-169.2-49.5179.1000110.4L12 A17 I25 A26 I36 V37 V39 I98L12-I14 HydrophobicContact CB-CD1 4.05Å; L12-I14 HydrophobicContact CB-CG1 3.98Å; L12-I14 HydrophobicContact CD2-CD1 4.17Å; I14-A17 HydrophobicContact CB-CB 3.82Å; I14-A17 HydrophobicContact CG2-CB 3.63Å; I14-I25 HydrophobicContact CD1-CG2 4.48Å; I14-A26 HydrophobicContact CD1-CB 3.86Å; I14-I36 HydrophobicContact CD1-CG2 4Å; I14-I36 HydrophobicContact CG1-CG2 4.49Å; I14-V37 PolarHBondContact N-O 3.04Å; I14-V39 PolarHBondContact O-N 3.12Å; I14-I98 HydrophobicContact CB-CB 4.38Å; I14-I98 HydrophobicContact CD1-CD1 4.04Å; I14-I98 HydrophobicContact CG1-CB 4.16Å; I14-I98 HydrophobicContact CG1-CD1 4.06Å; I14-I98 HydrophobicContact CG1-CG1 4.18Å; I14-I98 HydrophobicContact CG2-CB 4Å; I14-I98 HydrophobicContact CG2-CG2 4.24Å
15T98.9Very high98.3Very high2 Ų225.8 Ų25.81%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-77.8136.917669.40000110.7F13 A17 V39 I74 I98 N99 N100 A101 T131F13-T15 HydrophobicContact CE1-CG2 4.33Å; T15-A17 VanDerWaalsContact C-N 3.34Å; T15-A17 PolarHBondContact O-N 2.7Å; T15-V39 CarbonylContact C-O 3.58Å; T15-V39 WeakPolarHBondContact CA-O 3.39Å; T15-I74 HydrophobicContact CG2-CG2 4.2Å; T15-I98 PolarHBondContact N-O 3.01Å; T15-I98 PolarHBondContact OG1-O 3.43Å; T15-N99 WeakPolarHBondContact OG1-CA 3.46Å; T15-N100 VanDerWaalsContact O-CB 3.24Å; T15-N100 WeakPolarHBondContact O-CB 3.21Å; T15-N100 PolarHBondContact O-ND2 2.88Å; T15-N100 PolarHBondContact OG1-N 3.17Å; T15-N100 VanDerWaalsContact OG1-N 3.08Å; T15-A101 PolarHBondContact O-N 3.03Å; T15-A101 VanDerWaalsContact O-N 3.13Å; T15-A101 WeakPolarHBondContact OG1-CB 3.25Å; T15-A101 PolarHBondContact OG1-N 3.07Å; T15-A101 VanDerWaalsContact OG1-N 3.07Å; T15-T131 HydrophobicContact CG2-CG2 3.82Å
16G97.8Very high98.4Very high18 Ų1824 Ų2419%0.18614%0.144CC..THydrogen-bonded Turntrans70.824.1-178.900000114.5S18 V39 N100G16-S18 VanDerWaalsContact C-N 3.29Å; G16-S18 PolarHBondContact O-N 3.21Å; G16-V39 PolarHBondContact N-O 3.28Å; G16-N100 PolarHBondContact O-ND2 3.48Å; G16-N100 VanDerWaalsContact O-ND2 3.13Å
17A98.3Very high98.4Very high0 Ų018.8 Ų18.80%012%0.123CC..THydrogen-bonded Turntrans-80.35.5-175.700000115.8I14 T15 R19 K23 V38I14-A17 HydrophobicContact CB-CB 3.82Å; I14-A17 HydrophobicContact CG2-CB 3.63Å; T15-A17 VanDerWaalsContact C-N 3.34Å; T15-A17 PolarHBondContact O-N 2.7Å; A17-R19 PolarHBondContact O-N 3.11Å; A17-K23 WeakPolarHBondContact O-CA 3.41Å; A17-K23 WeakPolarHBondContact O-CB 3.49Å; A17-V38 HydrophobicContact CB-CB 4.35Å; A17-V38 HydrophobicContact CB-CG1 3.98Å; A17-V38 HydrophobicContact CB-CG2 4.18Å
18S97.4Very high98.4Very high1 Ų118.9 Ų18.91%0.00712%0.123CC..THydrogen-bonded Turntrans-71.6-14.417967.50000113.8G16G16-S18 VanDerWaalsContact C-N 3.29Å; G16-S18 PolarHBondContact O-N 3.21Å
19R96.5Very high98.4Very high59 Ų5916.1 Ų16.122%0.22310%0.101CC..SBendtrans-163.4173.9-179.865.1-173.866.1810.6112.1A17 K23 T42 E50 G51A17-R19 PolarHBondContact O-N 3.11Å; R19-K23 PolarHBondContact O-N 2.73Å; R19-T42 PolarHBondContact NH1-OG1 2.97Å; R19-T42 PolarHBondContact NH2-OG1 2.83Å; R19-E50 PolarHBondContact NE-O 3.47Å; R19-E50 PolarHBondContact NH2-O 3.11Å; R19-G51 PolarHBondContact NH2-O 2.99Å
20G96.8Very high98.4Very high24 Ų2413.9 Ų13.925%0.2478%0.078CC..Hα-helixtrans60.4-143.7169.600000113.6G22 K23 A24G20-G22 PolarHBondContact O-N 3.25Å; G20-K23 PolarHBondContact O-N 2.86Å; G20-A24 PolarHBondContact O-N 3.04Å
21I98.4Very high98.4Very high27 Ų2718.4 Ų18.414%0.1389%0.093CC..Hα-helixtrans-56-49.1-176.7-66.3168.3000111.6K23 A24 I25 I201 T203 M225I21-K23 VanDerWaalsContact C-N 3.31Å; I21-K23 PolarHBondContact O-N 3.09Å; I21-A24 PolarHBondContact O-N 3.25Å; I21-A24 VanDerWaalsContact O-N 3.1Å; I21-I25 HydrophobicContact CG2-CD1 3.69Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.38Å; I21-I25 PolarHBondContact O-N 3.23Å; I21-I201 HydrophobicContact CD1-CB 4.17Å; I21-I201 HydrophobicContact CD1-CG1 4.24Å; I21-I201 HydrophobicContact CD1-CG2 4.14Å; I21-I201 HydrophobicContact CG1-CG2 3.92Å; I21-T203 HydrophobicContact CG1-CG2 4.37Å; I21-M225 HydrophobicContact CD1-CG 4.25Å; I21-M225 HydrophobicContact CG1-CB 4.45Å; I21-M225 HydrophobicContact CG1-CG 4.4Å; I21-M225 HydrophobicContact CG2-CB 3.83Å; I21-M225 HydrophobicContact CG2-CE 4.4Å; I21-M225 HydrophobicContact CG2-CG 4.36Å
22G98.5Very high98.4Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-56.5-42.4178.300000113.3G20 A26 N100G20-G22 PolarHBondContact O-N 3.25Å; G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.29Å; G22-N100 WeakPolarHBondContact CA-ND2 3.39Å; G22-N100 PolarHBondContact N-OD1 2.67Å
23K98.5Very high98.4Very high57 Ų5720.5 Ų20.525%0.24811%0.112CC..Hα-helixtrans-67-41175.7-167.9177.174.9157.20111.9A17 R19 G20 I21 I25 A26 V27 A56 D59A17-K23 WeakPolarHBondContact O-CA 3.41Å; A17-K23 WeakPolarHBondContact O-CB 3.49Å; R19-K23 PolarHBondContact O-N 2.73Å; G20-K23 PolarHBondContact O-N 2.86Å; I21-K23 VanDerWaalsContact C-N 3.31Å; I21-K23 PolarHBondContact O-N 3.09Å; K23-I25 PolarHBondContact O-N 2.84Å; K23-A26 WeakPolarHBondContact O-CB 3.3Å; K23-A26 PolarHBondContact O-N 2.94Å; K23-V27 HydrophobicContact CG-CG2 4.41Å; K23-V27 WeakPolarHBondContact O-CG2 3.41Å; K23-V27 PolarHBondContact O-N 3.28Å; K23-A56 HydrophobicContact CD-CB 4.04Å; K23-A56 HydrophobicContact CG-CB 4.27Å; K23-D59 WeakPolarHBondContact CE-OD2 3.43Å; K23-D59 IonicContact NZ-OD2 3.21Å; K23-D59 PolarHBondContact NZ-OD2 3.24Å
24A98.7Very high98.4Very high15 Ų1520.5 Ų20.512%0.12411%0.112CC..Hα-helixtrans-63.3-42.3178.700000111.7G20 I21 V27 K28 P222 A226G20-A24 PolarHBondContact O-N 3.04Å; I21-A24 PolarHBondContact O-N 3.25Å; I21-A24 VanDerWaalsContact O-N 3.1Å; A24-V27 PolarHBondContact O-N 2.9Å; A24-K28 WeakPolarHBondContact O-CB 3.29Å; A24-K28 PolarHBondContact O-N 3Å; A24-P222 HydrophobicContact CB-CB 3.62Å; A24-A226 HydrophobicContact CB-CB 3.97Å; A24-A226 WeakPolarHBondContact O-CB 3.46Å
25I98.9Very high98.4Very high3 Ų321 Ų212%0.01512%0.115CC..Hα-helixtrans-62.5-44.8173.7-62.1162.8000110.7I14 I21 K23 V27 K28 A29 I98 I150 A226 A229I14-I25 HydrophobicContact CD1-CG2 4.48Å; I21-I25 HydrophobicContact CG2-CD1 3.69Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.38Å; I21-I25 PolarHBondContact O-N 3.23Å; K23-I25 PolarHBondContact O-N 2.84Å; I25-V27 PolarHBondContact O-N 3.38Å; I25-K28 PolarHBondContact O-N 3.18Å; I25-A29 PolarHBondContact O-N 2.88Å; I25-I98 HydrophobicContact CD1-CG2 4.36Å; I25-I98 HydrophobicContact CG2-CD1 3.38Å; I25-I150 HydrophobicContact CD1-CD1 4.04Å; I25-A226 HydrophobicContact CG1-CB 4.31Å; I25-A229 HydrophobicContact CD1-CB 4.06Å; I25-A229 HydrophobicContact CG1-CB 3.92Å; I25-A229 HydrophobicContact CG2-CB 4.05Å
26A98.9Very high98.4Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-55.9-51.4176.300000112.2I14 G22 K23 K28 A29 A30 I36 I60I14-A26 HydrophobicContact CD1-CB 3.86Å; G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.29Å; K23-A26 WeakPolarHBondContact O-CB 3.3Å; K23-A26 PolarHBondContact O-N 2.94Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.31Å; A26-A29 PolarHBondContact O-N 2.54Å; A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.28Å; A26-A30 PolarHBondContact O-N 3.34Å; A26-I36 HydrophobicContact CB-CG2 3.84Å; A26-I60 HydrophobicContact CB-CD1 3.84Å; A26-I60 HydrophobicContact CB-CG1 4.07Å
27V98.8Very high98.5Very high27 Ų2720.1 Ų20.116%0.16411%0.105CC..Hα-helixtrans-63.1-39.2178.3169.90000111.2K23 A24 I25 A30 R31 D59 I60 A63K23-V27 HydrophobicContact CG-CG2 4.41Å; K23-V27 WeakPolarHBondContact O-CG2 3.41Å; K23-V27 PolarHBondContact O-N 3.28Å; A24-V27 PolarHBondContact O-N 2.9Å; I25-V27 PolarHBondContact O-N 3.38Å; V27-A30 WeakPolarHBondContact O-CB 3.48Å; V27-A30 PolarHBondContact O-N 3.26Å; V27-R31 WeakPolarHBondContact O-CG 3.47Å; V27-R31 PolarHBondContact O-N 2.78Å; V27-D59 HydrophobicContact CG2-CB 4.11Å; V27-I60 HydrophobicContact CG2-CG1 4.38Å; V27-A63 HydrophobicContact CG1-CB 4.02Å
28K98.8Very high98.5Very high7 Ų720.1 Ų20.13%0.0311%0.105CC..Hα-helixtrans-61.6-44.5177176.463.6-178.9-1680112.1M1 N3 A24 I25 A26 A226 D227 Y230M1-K28 PolarHBondContact O-NZ 3.36Å; N3-K28 PolarHBondContact ND2-O 3.49Å; N3-K28 WeakPolarHBondContact OD1-CD 3.45Å; N3-K28 WeakPolarHBondContact OD1-CE 3.45Å; N3-K28 PolarHBondContact OD1-NZ 3.27Å; A24-K28 WeakPolarHBondContact O-CB 3.29Å; A24-K28 PolarHBondContact O-N 3Å; I25-K28 PolarHBondContact O-N 3.18Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.31Å; K28-A226 HydrophobicContact CB-CB 3.88Å; K28-A226 HydrophobicContact CG-CB 4.33Å; K28-D227 WeakPolarHBondContact CD-OD1 3.35Å; K28-D227 WeakPolarHBondContact CE-OD1 3.22Å; K28-D227 IonicContact NZ-OD1 2.67Å; K28-D227 PolarHBondContact NZ-OD1 2.87Å; K28-Y230 HydrophobicContact CG-CD2 4.04Å; K28-Y230 HydrophobicContact CG-CG 4.12Å
29A98.9Very high98.6Very high2 Ų220.1 Ų20.12%0.01711%0.105CC..Hα-helixtrans-71-36.8175.900000112.3L7 L12 I25 A26 R31 D32 A34 I36L7-A29 HydrophobicContact CD1-CB 3.83Å; L12-A29 HydrophobicContact CD1-CB 4.48Å; L12-A29 HydrophobicContact CD2-CB 3.32Å; I25-A29 PolarHBondContact O-N 2.88Å; A26-A29 PolarHBondContact O-N 2.54Å; A29-R31 PolarHBondContact O-N 3.3Å; A29-D32 WeakPolarHBondContact O-CB 3.39Å; A29-D32 PolarHBondContact O-N 2.89Å; A29-A34 HydrophobicContact CB-CB 4.13Å; A29-A34 VanDerWaalsContact O-CB 3.24Å; A29-A34 WeakPolarHBondContact O-CB 3.17Å; A29-I36 HydrophobicContact CB-CD1 3.91Å
30A98.9Very high98.6Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-57.6-33.3176.700000112.9A26 V27 D32 G33 I36 I60 A63 G64 G65A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.28Å; A26-A30 PolarHBondContact O-N 3.34Å; V27-A30 WeakPolarHBondContact O-CB 3.48Å; V27-A30 PolarHBondContact O-N 3.26Å; A30-D32 PolarHBondContact O-N 3.21Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 2.82Å; A30-I36 HydrophobicContact CB-CG1 4.38Å; A30-I60 HydrophobicContact CB-CB 4.4Å; A30-I60 HydrophobicContact CB-CG2 3.86Å; A30-A63 HydrophobicContact CB-CB 3.97Å; A30-G64 CarbonylContact O-C 3.58Å; A30-G64 VanDerWaalsContact O-C 3.29Å; A30-G65 PolarHBondContact O-N 2.73Å; A30-G65 VanDerWaalsContact O-N 3.12Å
31R98.8Very high98.6Very high142 Ų14221.7 Ų21.754%0.53611%0.108SC..THydrogen-bonded Turntrans-62-18.5174.4-70.1171.6-175.6167.51.7114.7V27 A29 G33 A63V27-R31 WeakPolarHBondContact O-CG 3.47Å; V27-R31 PolarHBondContact O-N 2.78Å; A29-R31 PolarHBondContact O-N 3.3Å; R31-G33 VanDerWaalsContact C-N 3.35Å; R31-A63 WeakPolarHBondContact CA-O 3.22Å; R31-A63 HydrophobicContact CG-CB 4.12Å
32D98.6Very high98.3Very high16 Ų1621.6 Ų21.69%0.08611%0.109CC..THydrogen-bonded Turntrans-85.7-6.1170.2-87.214.6000112.7N3 G5 K6 L7 A8 A29 A30 Y230N3-D32 WeakPolarHBondContact CB-OD1 3.24Å; N3-D32 PolarHBondContact ND2-OD1 2.91Å; G5-D32 VanDerWaalsContact C-OD2 3.27Å; G5-D32 WeakPolarHBondContact CA-OD2 3.36Å; G5-D32 VanDerWaalsContact N-CG 3.28Å; G5-D32 PolarHBondContact N-OD1 2.7Å; G5-D32 PolarHBondContact N-OD2 2.92Å; K6-D32 PolarHBondContact N-OD2 3.03Å; K6-D32 VanDerWaalsContact N-OD2 3.11Å; L7-D32 HydrophobicContact CB-CB 3.88Å; L7-D32 PolarHBondContact N-OD2 2.84Å; A8-D32 WeakPolarHBondContact CA-O 3.02Å; A8-D32 WeakPolarHBondContact CB-O 3.35Å; A29-D32 WeakPolarHBondContact O-CB 3.39Å; A29-D32 PolarHBondContact O-N 2.89Å; A30-D32 PolarHBondContact O-N 3.21Å; D32-Y230 VanDerWaalsContact CG-OH 3.27Å; D32-Y230 PolarHBondContact OD1-OH 2.72Å; D32-Y230 VanDerWaalsContact OD2-CE2 3.24Å; D32-Y230 WeakPolarHBondContact OD2-CE2 3.38Å; D32-Y230 PolarHBondContact OD2-OH 3.01Å
33G98.7Very high98Very high31 Ų3128.6 Ų28.632%0.3214%0.14SC..THydrogen-bonded Turntrans82.929.6-168.600000113.4G9 A30 R31G9-G33 PolarHBondContact N-O 3.49Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 2.82Å; R31-G33 VanDerWaalsContact C-N 3.35Å
34A98.9Very high97.6Very high0 Ų028.6 Ų28.60%015%0.151CC..  trans-72.4155.1175.300000112.4L7 L12 A29 I36 G65 R66L7-A34 HydrophobicContact CB-CB 4.35Å; L7-A34 WeakPolarHBondContact O-CA 3.43Å; L7-A34 WeakPolarHBondContact O-CB 3.29Å; L12-A34 HydrophobicContact CD1-CB 4.11Å; A29-A34 HydrophobicContact CB-CB 4.13Å; A29-A34 VanDerWaalsContact O-CB 3.24Å; A29-A34 WeakPolarHBondContact O-CB 3.17Å; A34-I36 HydrophobicContact CB-CD1 3.99Å; A34-G65 VanDerWaalsContact O-CA 3.26Å; A34-G65 WeakPolarHBondContact O-CA 3.26Å; A34-R66 PolarHBondContact O-N 2.98Å
35N98.9Very high97Very high11 Ų1133.7 Ų33.76%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-88.5128165.7-51.5-53.5000108.9G9 K10 T11 L12 R66 F91G9-N35 PolarHBondContact O-ND2 3.39Å; K10-N35 PolarHBondContact O-N 2.75Å; T11-N35 CarbonylContact C-O 3.29Å; T11-N35 WeakPolarHBondContact CA-O 3.34Å; T11-N35 HydrophobicContact CG2-CB 4.31Å; T11-N35 PolarHBondContact OG1-ND2 3.03Å; L12-N35 PolarHBondContact N-O 3.18Å; N35-R66 CarbonylContact C-O 3.5Å; N35-R66 WeakPolarHBondContact CA-O 3.22Å; N35-R66 WeakPolarHBondContact OD1-CD 3.24Å; N35-F91 HydrophobicContact CB-CB 4.32Å; N35-F91 HydrophobicContact CB-CD1 3.54Å; N35-F91 HydrophobicContact CB-CD2 3.88Å; N35-F91 HydrophobicContact CB-CE1 3.66Å; N35-F91 HydrophobicContact CB-CE2 3.98Å; N35-F91 HydrophobicContact CB-CG 3.66Å; N35-F91 HydrophobicContact CB-CZ 3.88Å; N35-F91 WeakPolarHBondContact OD1-CD1 3.4Å
36I98.9Very high96.2Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-117.5127.6-178.6-48.1-60.4000110.2L12 I14 A26 A29 A30 A34 V38 I60 R66 C67 L68L12-I36 HydrophobicContact CB-CD1 4.01Å; L12-I36 HydrophobicContact CD2-CD1 4.12Å; L12-I36 HydrophobicContact CG-CD1 4.43Å; I14-I36 HydrophobicContact CD1-CG2 4Å; I14-I36 HydrophobicContact CG1-CG2 4.49Å; A26-I36 HydrophobicContact CB-CG2 3.84Å; A29-I36 HydrophobicContact CB-CD1 3.91Å; A30-I36 HydrophobicContact CB-CG1 4.38Å; A34-I36 HydrophobicContact CB-CD1 3.99Å; I36-V38 HydrophobicContact CG2-CG2 4.01Å; I36-I60 HydrophobicContact CB-CD1 4.07Å; I36-I60 HydrophobicContact CB-CG2 4.01Å; I36-I60 HydrophobicContact CG1-CD1 4.44Å; I36-I60 HydrophobicContact CG1-CG2 3.72Å; I36-I60 HydrophobicContact CG2-CD1 3.83Å; I36-R66 PolarHBondContact N-O 3.14Å; I36-C67 CarbonylContact O-C 3.59Å; I36-C67 WeakPolarHBondContact O-CA 3.42Å; I36-L68 PolarHBondContact O-N 3.23Å
37V98.9Very high95.3Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-101.7108.2169.1-170.50000107.7T11 L12 F13 I14 V39 L68 A87 F91T11-V37 HydrophobicContact CG2-CG2 4.07Å; L12-V37 PolarHBondContact O-N 3.22Å; F13-V37 HydrophobicContact CD2-CB 3.9Å; F13-V37 HydrophobicContact CD2-CG1 3.78Å; F13-V37 HydrophobicContact CD2-CG2 4.3Å; F13-V37 HydrophobicContact CE2-CG1 3.92Å; F13-V37 HydrophobicContact CG-CB 4.41Å; I14-V37 PolarHBondContact N-O 3.04Å; V37-V39 HydrophobicContact CG1-CG2 3.83Å; V37-V39 PolarHBondContact O-N 3.02Å; V37-L68 WeakPolarHBondContact CA-O 3.42Å; V37-L68 HydrophobicContact CG1-CB 4.44Å; V37-L68 HydrophobicContact CG1-CD2 4.21Å; V37-L68 HydrophobicContact CG1-CG 4.46Å; V37-L68 HydrophobicContact CG2-CB 4.47Å; V37-A87 HydrophobicContact CB-CB 4.43Å; V37-A87 HydrophobicContact CG1-CB 4.19Å; V37-A87 HydrophobicContact CG2-CB 3.54Å; V37-F91 HydrophobicContact CG2-CD2 4.07Å; V37-F91 HydrophobicContact CG2-CE2 3.99Å
38V98.8Very high94.4Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-87.5106.3-178.8172.10000108.6A17 I36 V53 A56 I60 L68 C70A17-V38 HydrophobicContact CB-CB 4.35Å; A17-V38 HydrophobicContact CB-CG1 3.98Å; A17-V38 HydrophobicContact CB-CG2 4.18Å; I36-V38 HydrophobicContact CG2-CG2 4.01Å; V38-V53 HydrophobicContact CG1-CB 4.11Å; V38-V53 HydrophobicContact CG1-CG1 4.02Å; V38-A56 HydrophobicContact CG1-CB 4.25Å; V38-I60 HydrophobicContact CG2-CD1 3.33Å; V38-L68 PolarHBondContact N-O 3.1Å; V38-C70 WeakPolarHBondContact O-CA 3.48Å; V38-C70 PolarHBondContact O-N 3.26Å
39V98.7Very high93.5Very high1 Ų152.6 Ų52.61%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-10797.9-176.3-177.90000110.2F13 I14 T15 G16 V37 C70 V72 I74F13-V39 HydrophobicContact CD1-CG2 3.96Å; F13-V39 HydrophobicContact CD2-CG2 4.24Å; F13-V39 HydrophobicContact CE1-CB 4.09Å; F13-V39 HydrophobicContact CE1-CG1 4.14Å; F13-V39 HydrophobicContact CE1-CG2 3.47Å; F13-V39 VanDerWaalsContact CE1-CG2 3.47Å; F13-V39 HydrophobicContact CE2-CG2 3.77Å; F13-V39 HydrophobicContact CG-CG2 4.35Å; F13-V39 HydrophobicContact CZ-CB 4.33Å; F13-V39 HydrophobicContact CZ-CG1 4.24Å; F13-V39 HydrophobicContact CZ-CG2 3.39Å; I14-V39 PolarHBondContact O-N 3.12Å; T15-V39 CarbonylContact C-O 3.58Å; T15-V39 WeakPolarHBondContact CA-O 3.39Å; G16-V39 PolarHBondContact N-O 3.28Å; V37-V39 HydrophobicContact CG1-CG2 3.83Å; V37-V39 PolarHBondContact O-N 3.02Å; V39-C70 HydrophobicContact CG2-CB 4.24Å; V39-V72 HydrophobicContact CG1-CB 3.64Å; V39-V72 HydrophobicContact CG1-CG1 3.74Å; V39-V72 HydrophobicContact CG1-CG2 4.2Å; V39-I74 HydrophobicContact CG1-CG2 4.15Å
40A98Very high92.9Very high8 Ų859.5 Ų59.57%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-154.6161.1179.500000112.6V53 C70 A71 V72A40-V53 HydrophobicContact CB-CG1 3.93Å; A40-V53 WeakPolarHBondContact O-CG1 3.46Å; A40-C70 PolarHBondContact N-O 2.97Å; A40-C70 VanDerWaalsContact N-O 3.13Å; A40-A71 CarbonylContact O-C 3.45Å; A40-A71 VanDerWaalsContact O-CA 3.25Å; A40-A71 WeakPolarHBondContact O-CA 3.38Å; A40-V72 CarbonylContact C-O 3.57Å; A40-V72 PolarHBondContact O-N 3.21Å
41K95.5Very high92.5Very high108 Ų10860.6 Ų60.647%0.4732%0.322SS..SBendtrans-75.7-27.2-173.1-59.8-171.8-58.1-174.70115.1K43 V72 D73K41-K43 PolarHBondContact O-N 3.12Å; K41-V72 VanDerWaalsContact CG-O 3.29Å; K41-V72 WeakPolarHBondContact CG-O 3.49Å; K41-V72 PolarHBondContact N-O 3.17Å; K41-D73 HydrophobicContact CD-CB 3.72Å; K41-D73 WeakPolarHBondContact CD-OD2 3.41Å; K41-D73 HydrophobicContact CG-CB 3.91Å; K41-D73 IonicContact NZ-OD2 2.72Å
42T92Very high92.4Very high26 Ų2654.1 Ų54.116%0.1630%0.299CS..  trans-83.1102.4-165.1-49.70000110.9R19 A44 T52 V53R19-T42 PolarHBondContact NH1-OG1 2.97Å; R19-T42 PolarHBondContact NH2-OG1 2.83Å; T42-A44 WeakPolarHBondContact CG2-O 3.47Å; T42-T52 HydrophobicContact CG2-CG2 4.21Å; T42-T52 CarbonylContact O-C 3.59Å; T42-T52 VanDerWaalsContact O-CA 3.25Å; T42-T52 WeakPolarHBondContact O-CA 3.45Å; T42-T52 WeakPolarHBondContact O-CB 3.26Å; T42-V53 PolarHBondContact O-N 2.87Å
43K92.5Very high92.4Very high146 Ų14653.4 Ų53.464%0.63530%0.295SS*.  trans-93.8-29.7173.967.2179.5-178.6178.80114.4K41 F54 A71K41-K43 PolarHBondContact O-N 3.12Å; K43-F54 HydrophobicContact CB-CE2 3.96Å; K43-F54 VanDerWaalsContact O-CD2 3.28Å; K43-F54 WeakPolarHBondContact O-CD2 3.49Å; K43-F54 VanDerWaalsContact O-CE2 3.27Å; K43-F54 WeakPolarHBondContact O-CE2 3.36Å; K43-A71 HydrophobicContact CB-CB 4.21Å
44A90Very high92.3Very high58 Ų5857 Ų5748%0.47930%0.302SS..SBendtrans-115.9151.3179.900000110.5T42 H46T42-A44 WeakPolarHBondContact CG2-O 3.47Å; A44-H46 PolarHBondContact O-N 3.04Å
45P86.4Confident92.2Very high122 Ų12259.3 Ų59.379%0.79232%0.316SS*.  trans-50.9139.1174.4-26.534.7000111.8
46H82.5Confident92.2Very high94 Ų9458.8 Ų58.844%0.43531%0.313SS..BIsolated β-bridgetrans-120133.7179.5-176.3-84.5000109.6A44 K48 L49A44-H46 PolarHBondContact O-N 3.04Å; H46-K48 PolarHBondContact ND1-N 3.19Å; H46-K48 PolarHBondContact O-N 3.11Å; H46-L49 HydrophobicContact CB-CB 4.13Å; H46-L49 PolarHBondContact ND1-N 3.45Å; H46-L49 PolarHBondContact O-N 3.27Å; H46-L49 VanDerWaalsContact O-N 3.12Å; H46-L49 VanDerWaalsContact O-O 3.12Å
47P80.9Confident92.1Very high130 Ų13059.1 Ų59.184%0.84432%0.316SS*.THydrogen-bonded Turntrans-62-21.3-170.822.4-34000114.4
48K77.9Confident92.1Very high158 Ų15865.1 Ų65.169%0.68734%0.344SS*.THydrogen-bonded Turntrans-111.5-8.3179.5-57.3-176.6178.6-178.80114.6H46H46-K48 PolarHBondContact ND1-N 3.19Å; H46-K48 PolarHBondContact O-N 3.11Å
49L81.2Confident92.1Very high51 Ų5168 Ų6827%0.26736%0.359SS..BIsolated β-bridgetrans-134.9109.9-171.9-69.1173.1000109H46 A204 M208H46-L49 HydrophobicContact CB-CB 4.13Å; H46-L49 PolarHBondContact ND1-N 3.45Å; H46-L49 PolarHBondContact O-N 3.27Å; H46-L49 VanDerWaalsContact O-N 3.12Å; H46-L49 VanDerWaalsContact O-O 3.12Å; L49-A204 HydrophobicContact CD2-CB 4.4Å; L49-M208 HydrophobicContact CD2-SD 3.94Å
50E86.6Confident92.1Very high147 Ų14768 Ų6869%0.68736%0.359SS*.  trans-66.4151.5177.7-63.5170.2-171.600111.6R19R19-E50 PolarHBondContact NE-O 3.47Å; R19-E50 PolarHBondContact NH2-O 3.11Å
51G90.3Very high92.1Very high23 Ų2372.8 Ų72.824%0.23738%0.38CS..  trans78.6147.317300000115.1R19 T55R19-G51 PolarHBondContact NH2-O 2.99Å; G51-T55 WeakPolarHBondContact CA-OG1 3.47Å
52T96.7Very high92.3Very high7 Ų776.8 Ų76.84%0.04340%0.397CS..  trans-126.3175.2172.770.50000109.1T42 F54 T55 A56T42-T52 HydrophobicContact CG2-CG2 4.21Å; T42-T52 CarbonylContact O-C 3.59Å; T42-T52 VanDerWaalsContact O-CA 3.25Å; T42-T52 WeakPolarHBondContact O-CA 3.45Å; T42-T52 WeakPolarHBondContact O-CB 3.26Å; T52-F54 PolarHBondContact O-N 3.4Å; T52-F54 PolarHBondContact OG1-N 3.24Å; T52-F54 VanDerWaalsContact OG1-N 3.12Å; T52-T55 PolarHBondContact N-OG1 3.38Å; T52-T55 PolarHBondContact O-OG1 3.34Å; T52-T55 PolarHBondContact OG1-N 3.38Å; T52-T55 VanDerWaalsContact OG1-N 3.12Å; T52-A56 WeakPolarHBondContact O-CB 3.49Å; T52-A56 PolarHBondContact O-N 2.93Å; T52-A56 VanDerWaalsContact O-N 3.13Å
53V97.4Very high92.6Very high0 Ų076.8 Ų76.80%040%0.4CS..Hα-helixtrans-59.1-30.6169.1-63.30000111.9V38 A40 T42 A57 P69V38-V53 HydrophobicContact CG1-CB 4.11Å; V38-V53 HydrophobicContact CG1-CG1 4.02Å; A40-V53 HydrophobicContact CB-CG1 3.93Å; A40-V53 WeakPolarHBondContact O-CG1 3.46Å; T42-V53 PolarHBondContact O-N 2.87Å; V53-A57 PolarHBondContact O-N 3.06Å; V53-P69 HydrophobicContact CB-CB 3.91Å; V53-P69 HydrophobicContact CG2-CB 4.06Å
54F97.6Very high92.9Very high107 Ų10772.3 Ų72.347%0.46940%0.395SS..Hα-helixtrans-77.8-44.2-178.9-52.8-61.3000112.5K43 T52 A56 A57 E58 P69K43-F54 HydrophobicContact CB-CE2 3.96Å; K43-F54 VanDerWaalsContact O-CD2 3.28Å; K43-F54 WeakPolarHBondContact O-CD2 3.49Å; K43-F54 VanDerWaalsContact O-CE2 3.27Å; K43-F54 WeakPolarHBondContact O-CE2 3.36Å; T52-F54 PolarHBondContact O-N 3.4Å; T52-F54 PolarHBondContact OG1-N 3.24Å; T52-F54 VanDerWaalsContact OG1-N 3.12Å; F54-A56 PolarHBondContact O-N 3.16Å; F54-A57 WeakPolarHBondContact O-CA 3.46Å; F54-A57 WeakPolarHBondContact O-CB 3.36Å; F54-A57 PolarHBondContact O-N 2.7Å; F54-E58 PolarHBondContact O-N 2.9Å; F54-P69 HydrophobicContact CD1-CB 4.21Å; F54-P69 HydrophobicContact CD1-CG 4.1Å; F54-P69 HydrophobicContact CE1-CB 4.43Å; F54-P69 HydrophobicContact CE1-CG 4.27Å
55T96.9Very high93.3Very high48 Ų4870 Ų7029%0.29438%0.377SS..Hα-helixtrans-66.2-31.7175.362.10000111.5G51 T52 D59G51-T55 WeakPolarHBondContact CA-OG1 3.47Å; T52-T55 PolarHBondContact N-OG1 3.38Å; T52-T55 PolarHBondContact O-OG1 3.34Å; T52-T55 PolarHBondContact OG1-N 3.38Å; T52-T55 VanDerWaalsContact OG1-N 3.12Å; T55-D59 PolarHBondContact O-N 3.34Å
56A98Very high93.9Very high0 Ų070.9 Ų70.90%037%0.365CS..Hα-helixtrans-67.4-37.7172.100000111.6K23 V38 T52 F54 D59 I60K23-A56 HydrophobicContact CD-CB 4.04Å; K23-A56 HydrophobicContact CG-CB 4.27Å; V38-A56 HydrophobicContact CG1-CB 4.25Å; T52-A56 WeakPolarHBondContact O-CB 3.49Å; T52-A56 PolarHBondContact O-N 2.93Å; T52-A56 VanDerWaalsContact O-N 3.13Å; F54-A56 PolarHBondContact O-N 3.16Å; A56-D59 PolarHBondContact O-N 3.48Å; A56-I60 WeakPolarHBondContact O-CB 3.38Å; A56-I60 VanDerWaalsContact O-CD1 3.25Å; A56-I60 WeakPolarHBondContact O-CD1 2.97Å; A56-I60 WeakPolarHBondContact O-CG1 3.28Å; A56-I60 PolarHBondContact O-N 3.37Å
57A98.4Very high94.7Very high7 Ų767.3 Ų67.36%0.05835%0.35CS..Hα-helixtrans-61.3-45174.200000112V53 F54 D59 I60 E61 C67 P69V53-A57 PolarHBondContact O-N 3.06Å; F54-A57 WeakPolarHBondContact O-CA 3.46Å; F54-A57 WeakPolarHBondContact O-CB 3.36Å; F54-A57 PolarHBondContact O-N 2.7Å; A57-D59 PolarHBondContact O-N 3.02Å; A57-I60 PolarHBondContact O-N 3.08Å; A57-E61 WeakPolarHBondContact O-CB 3.27Å; A57-E61 WeakPolarHBondContact O-CG 3.36Å; A57-E61 PolarHBondContact O-N 2.96Å; A57-C67 VanDerWaalsContact CA-SG 3.51Å; A57-C67 HydrophobicContact CB-CB 3.82Å; A57-C67 WeakPolarHBondContact CB-SG 3.41Å; A57-P69 HydrophobicContact CB-CB 4.27Å; A57-P69 HydrophobicContact CB-CG 4.24Å
58E98.3Very high95.5Very high126 Ų12662.7 Ų62.759%0.58932%0.318SS*.Hα-helixtrans-57.1-46.4174.9-69.4169.6-166.300112F54 I60 E61 K62F54-E58 PolarHBondContact O-N 2.9Å; E58-I60 VanDerWaalsContact C-N 3.32Å; E58-I60 PolarHBondContact O-N 3.45Å; E58-E61 PolarHBondContact O-N 2.69Å; E58-K62 WeakPolarHBondContact O-CB 3.33Å; E58-K62 PolarHBondContact O-N 3.2Å
59D98.4Very high96.5Very high61 Ų6157.2 Ų57.233%0.32630%0.298SS..Hα-helixtrans-61.8-39.3177.3-74.1-26.1000112.2K23 V27 T55 A56 A57 A63K23-D59 WeakPolarHBondContact CE-OD2 3.43Å; K23-D59 IonicContact NZ-OD2 3.21Å; K23-D59 PolarHBondContact NZ-OD2 3.24Å; V27-D59 HydrophobicContact CG2-CB 4.11Å; T55-D59 PolarHBondContact O-N 3.34Å; A56-D59 PolarHBondContact O-N 3.48Å; A57-D59 PolarHBondContact O-N 3.02Å; D59-A63 WeakPolarHBondContact O-CB 3.38Å; D59-A63 PolarHBondContact O-N 2.9Å; D59-A63 VanDerWaalsContact O-N 3.11Å
60I98.8Very high97.3Very high0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-69-46.7179.7-73.7159.9000111.1A26 V27 A30 I36 V38 A56 A57 E58 A63 G64 G65 C67A26-I60 HydrophobicContact CB-CD1 3.84Å; A26-I60 HydrophobicContact CB-CG1 4.07Å; V27-I60 HydrophobicContact CG2-CG1 4.38Å; A30-I60 HydrophobicContact CB-CB 4.4Å; A30-I60 HydrophobicContact CB-CG2 3.86Å; I36-I60 HydrophobicContact CB-CD1 4.07Å; I36-I60 HydrophobicContact CB-CG2 4.01Å; I36-I60 HydrophobicContact CG1-CD1 4.44Å; I36-I60 HydrophobicContact CG1-CG2 3.72Å; I36-I60 HydrophobicContact CG2-CD1 3.83Å; V38-I60 HydrophobicContact CG2-CD1 3.33Å; A56-I60 WeakPolarHBondContact O-CB 3.38Å; A56-I60 VanDerWaalsContact O-CD1 3.25Å; A56-I60 WeakPolarHBondContact O-CD1 2.97Å; A56-I60 WeakPolarHBondContact O-CG1 3.28Å; A56-I60 PolarHBondContact O-N 3.37Å; A57-I60 PolarHBondContact O-N 3.08Å; E58-I60 VanDerWaalsContact C-N 3.32Å; E58-I60 PolarHBondContact O-N 3.45Å; I60-A63 WeakPolarHBondContact O-CB 3.42Å; I60-A63 PolarHBondContact O-N 3.34Å; I60-G64 PolarHBondContact O-N 2.77Å; I60-G65 PolarHBondContact O-N 3.1Å; I60-G65 VanDerWaalsContact O-N 3.11Å; I60-C67 HydrophobicContact CB-CB 4.23Å; I60-C67 HydrophobicContact CG2-CB 3.8Å
61E98.8Very high97.8Very high109 Ų10951 Ų5151%0.50928%0.279SS..Hα-helixtrans-66.1-42.1179.4-71.4175.817500110.9A57 E58 A63 G64 G65 C67A57-E61 WeakPolarHBondContact O-CB 3.27Å; A57-E61 WeakPolarHBondContact O-CG 3.36Å; A57-E61 PolarHBondContact O-N 2.96Å; E58-E61 PolarHBondContact O-N 2.69Å; E61-A63 PolarHBondContact O-N 2.95Å; E61-G64 PolarHBondContact O-N 2.71Å; E61-G65 WeakPolarHBondContact CA-O 3.4Å; E61-C67 HydrophobicContact CG-CB 4.16Å
62K98.6Very high98.2Very high192 Ų19250.4 Ų50.484%0.83527%0.271SS*.Hα-helixtrans-61.1-30.5173.6-173.9176.3-179.6179.30112.8E58 G64E58-K62 WeakPolarHBondContact O-CB 3.33Å; E58-K62 PolarHBondContact O-N 3.2Å; K62-G64 PolarHBondContact O-N 3.39Å
63A98.5Very high98.2Very high26 Ų2651.8 Ų51.822%0.21528%0.278CS..THydrogen-bonded Turntrans-76.6-817600000113.8V27 A30 R31 D59 I60 E61V27-A63 HydrophobicContact CG1-CB 4.02Å; A30-A63 HydrophobicContact CB-CB 3.97Å; R31-A63 WeakPolarHBondContact CA-O 3.22Å; R31-A63 HydrophobicContact CG-CB 4.12Å; D59-A63 WeakPolarHBondContact O-CB 3.38Å; D59-A63 PolarHBondContact O-N 2.9Å; D59-A63 VanDerWaalsContact O-N 3.11Å; I60-A63 WeakPolarHBondContact O-CB 3.42Å; I60-A63 PolarHBondContact O-N 3.34Å; E61-A63 PolarHBondContact O-N 2.95Å
64G98.6Very high98.3Very high52 Ų5252.3 Ų52.354%0.53628%0.281SS..THydrogen-bonded Turntrans104.42.2178.200000114.9A30 I60 E61 K62A30-G64 CarbonylContact O-C 3.58Å; A30-G64 VanDerWaalsContact O-C 3.29Å; I60-G64 PolarHBondContact O-N 2.77Å; E61-G64 PolarHBondContact O-N 2.71Å; K62-G64 PolarHBondContact O-N 3.39Å
65G98.8Very high98.3Very high9 Ų952.1 Ų52.19%0.09328%0.277CS..  trans-88.3178.3176.400000113A30 A34 I60 E61A30-G65 PolarHBondContact O-N 2.73Å; A30-G65 VanDerWaalsContact O-N 3.12Å; A34-G65 VanDerWaalsContact O-CA 3.26Å; A34-G65 WeakPolarHBondContact O-CA 3.26Å; I60-G65 PolarHBondContact O-N 3.1Å; I60-G65 VanDerWaalsContact O-N 3.11Å; E61-G65 WeakPolarHBondContact CA-O 3.4Å
66R98.8Very high98.4Very high142 Ų14253.5 Ų53.554%0.53628%0.283SS..EExtended strand (participates in β ladder)trans-109.7141.6166.6-64.8174.661.8-158.9-0.6108.8A34 N35 I36 F91A34-R66 PolarHBondContact O-N 2.98Å; N35-R66 CarbonylContact C-O 3.5Å; N35-R66 WeakPolarHBondContact CA-O 3.22Å; N35-R66 WeakPolarHBondContact OD1-CD 3.24Å; I36-R66 PolarHBondContact N-O 3.14Å; R66-F91 HydrophobicContact CB-CE1 3.94Å; R66-F91 HydrophobicContact CB-CZ 4.31Å
67C98.8Very high98.4Very high18 Ų1857.3 Ų57.312%0.12230%0.3CS..EExtended strand (participates in β ladder)trans-121.3141-178.2-167.40000112.9I36 A57 I60 E61I36-C67 CarbonylContact O-C 3.59Å; I36-C67 WeakPolarHBondContact O-CA 3.42Å; A57-C67 VanDerWaalsContact CA-SG 3.51Å; A57-C67 HydrophobicContact CB-CB 3.82Å; A57-C67 WeakPolarHBondContact CB-SG 3.41Å; I60-C67 HydrophobicContact CB-CB 4.23Å; I60-C67 HydrophobicContact CG2-CB 3.8Å; E61-C67 HydrophobicContact CG-CB 4.16Å
68L98.8Very high98.4Very high33 Ų3358.4 Ų58.417%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-117.3102.4161.6178.764.5000108.6I36 V37 V38 C70 D86 A87 F91I36-L68 PolarHBondContact O-N 3.23Å; V37-L68 WeakPolarHBondContact CA-O 3.42Å; V37-L68 HydrophobicContact CG1-CB 4.44Å; V37-L68 HydrophobicContact CG1-CD2 4.21Å; V37-L68 HydrophobicContact CG1-CG 4.46Å; V37-L68 HydrophobicContact CG2-CB 4.47Å; V38-L68 PolarHBondContact N-O 3.1Å; L68-C70 PolarHBondContact O-N 2.94Å; L68-D86 HydrophobicContact CD2-CB 4.04Å; L68-A87 HydrophobicContact CD2-CB 4.5Å; L68-F91 HydrophobicContact CB-CE2 3.67Å; L68-F91 HydrophobicContact CB-CZ 4.08Å
69P98.6Very high98.4Very high43 Ų4354.4 Ų54.428%0.27930%0.298SS..EExtended strand (participates in β ladder)trans-79.3114.9176.729.5-31.5000111.5V53 F54 A57V53-P69 HydrophobicContact CB-CB 3.91Å; V53-P69 HydrophobicContact CG2-CB 4.06Å; F54-P69 HydrophobicContact CD1-CB 4.21Å; F54-P69 HydrophobicContact CD1-CG 4.1Å; F54-P69 HydrophobicContact CE1-CB 4.43Å; F54-P69 HydrophobicContact CE1-CG 4.27Å; A57-P69 HydrophobicContact CB-CB 4.27Å; A57-P69 HydrophobicContact CB-CG 4.24Å
70C98.3Very high98.4Very high10 Ų1051.5 Ų51.57%0.06828%0.283CS..EExtended strand (participates in β ladder)trans-110.5111.4178.4-61.40000110.8V38 V39 A40 L68 V72 A83V38-C70 WeakPolarHBondContact O-CA 3.48Å; V38-C70 PolarHBondContact O-N 3.26Å; V39-C70 HydrophobicContact CG2-CB 4.24Å; A40-C70 PolarHBondContact N-O 2.97Å; A40-C70 VanDerWaalsContact N-O 3.13Å; L68-C70 PolarHBondContact O-N 2.94Å; C70-V72 VanDerWaalsContact C-N 3.35Å; C70-V72 HydrophobicContact CB-CG2 3.78Å; C70-V72 PolarHBondContact O-N 3.48Å; C70-A83 HydrophobicContact CB-CB 4.07Å
71A97.1Very high98.4Very high58 Ų5854.7 Ų54.748%0.47930%0.298SS..EExtended strand (participates in β ladder)trans-76.281.3175.800000111.3A40 K43A40-A71 CarbonylContact O-C 3.45Å; A40-A71 VanDerWaalsContact O-CA 3.25Å; A40-A71 WeakPolarHBondContact O-CA 3.38Å; K43-A71 HydrophobicContact CB-CB 4.21Å
72V97.2Very high98.4Very high11 Ų1154.1 Ų54.17%0.06730%0.298CS..  trans-123.2136.2-168.1172.80000111.5V39 A40 K41 C70 I74 V80 A83V39-V72 HydrophobicContact CG1-CB 3.64Å; V39-V72 HydrophobicContact CG1-CG1 3.74Å; V39-V72 HydrophobicContact CG1-CG2 4.2Å; A40-V72 CarbonylContact C-O 3.57Å; A40-V72 PolarHBondContact O-N 3.21Å; K41-V72 VanDerWaalsContact CG-O 3.29Å; K41-V72 WeakPolarHBondContact CG-O 3.49Å; K41-V72 PolarHBondContact N-O 3.17Å; C70-V72 VanDerWaalsContact C-N 3.35Å; C70-V72 HydrophobicContact CB-CG2 3.78Å; C70-V72 PolarHBondContact O-N 3.48Å; V72-I74 HydrophobicContact CG1-CG2 4.49Å; V72-V80 HydrophobicContact CG1-CG2 4.06Å; V72-A83 HydrophobicContact CG2-CB 3.69Å
73D97.9Very high98.4Very high36 Ų3645.1 Ų45.119%0.19326%0.259CS..  trans-95.2113.3162.3-166.1-26.4000109.3K41 R75 D76K41-D73 HydrophobicContact CD-CB 3.72Å; K41-D73 WeakPolarHBondContact CD-OD2 3.41Å; K41-D73 HydrophobicContact CG-CB 3.91Å; K41-D73 IonicContact NZ-OD2 2.72Å; D73-R75 PolarHBondContact O-N 2.6Å; D73-R75 WeakPolarHBondContact OD1-CB 3.21Å; D73-R75 VanDerWaalsContact OD1-CG 3.26Å; D73-R75 WeakPolarHBondContact OD1-CG 3.39Å; D73-R75 IonicContact OD1-CZ 2.63Å; D73-R75 PolarHBondContact OD1-N 3.27Å; D73-R75 VanDerWaalsContact OD1-N 3.12Å; D73-R75 IonicContact OD1-NE 2.67Å; D73-R75 PolarHBondContact OD1-NE 3.03Å; D73-R75 IonicContact OD1-NH2 3.55Å; D73-R75 IonicContact OD2-CZ 3.78Å; D73-R75 VanDerWaalsContact OD2-CZ 3.24Å; D73-R75 IonicContact OD2-NE 3.19Å; D73-R75 PolarHBondContact OD2-NE 2.95Å; D73-R75 IonicContact OD2-NH2 3.37Å; D73-R75 PolarHBondContact OD2-NH2 3.01Å; D73-D76 PolarHBondContact O-N 3.03Å
74I98.4Very high98.4Very high10 Ų1043.9 Ų43.95%0.05125%0.249CC..THydrogen-bonded Turntrans-66.9-2.9-177.368.1170.8000114.1T15 V39 V72 D76 V80 A101 I123 T131T15-I74 HydrophobicContact CG2-CG2 4.2Å; V39-I74 HydrophobicContact CG1-CG2 4.15Å; V72-I74 HydrophobicContact CG1-CG2 4.49Å; I74-D76 VanDerWaalsContact C-N 3.32Å; I74-V80 HydrophobicContact CB-CG2 4.2Å; I74-V80 HydrophobicContact CG2-CG2 4.37Å; I74-A101 HydrophobicContact CD1-CB 3.54Å; I74-I123 HydrophobicContact CD1-CG2 3.98Å; I74-I123 WeakPolarHBondContact CD1-O 3.37Å; I74-I123 HydrophobicContact CG1-CG2 4.45Å; I74-T131 HydrophobicContact CB-CG2 4.41Å; I74-T131 HydrophobicContact CG2-CG2 4.24Å
75R98.2Very high98.4Very high103 Ų10345.5 Ų45.539%0.38924%0.243SC..THydrogen-bonded Turntrans-78.2-21.3170-58.8178.2-66.6159.66.8111.9D73 I123 R126D73-R75 PolarHBondContact O-N 2.6Å; D73-R75 WeakPolarHBondContact OD1-CB 3.21Å; D73-R75 VanDerWaalsContact OD1-CG 3.26Å; D73-R75 WeakPolarHBondContact OD1-CG 3.39Å; D73-R75 IonicContact OD1-CZ 2.63Å; D73-R75 PolarHBondContact OD1-N 3.27Å; D73-R75 VanDerWaalsContact OD1-N 3.12Å; D73-R75 IonicContact OD1-NE 2.67Å; D73-R75 PolarHBondContact OD1-NE 3.03Å; D73-R75 IonicContact OD1-NH2 3.55Å; D73-R75 IonicContact OD2-CZ 3.78Å; D73-R75 VanDerWaalsContact OD2-CZ 3.24Å; D73-R75 IonicContact OD2-NE 3.19Å; D73-R75 PolarHBondContact OD2-NE 2.95Å; D73-R75 IonicContact OD2-NH2 3.37Å; D73-R75 PolarHBondContact OD2-NH2 3.01Å; R75-I123 HydrophobicContact CG-CG1 3.82Å; R75-R126 PolarHBondContact O-NH1 2.8Å
76D98.3Very high98.4Very high78 Ų7848.9 Ų48.942%0.41726%0.258SS..  trans-95.7117.5178.7-176.1-107.3000110.7D73 I74 S79 V80D73-D76 PolarHBondContact O-N 3.03Å; I74-D76 VanDerWaalsContact C-N 3.32Å; D76-S79 WeakPolarHBondContact OD1-CB 3Å; D76-S79 PolarHBondContact OD1-N 3.03Å; D76-S79 PolarHBondContact OD1-OG 3.29Å; D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 3.24Å
77E98.5Very high98.4Very high79 Ų7942.1 Ų42.137%0.36923%0.233SC..Hα-helixtrans-65.9-45.5-175.9171.9166.9-170.800112.7S79 V80 E81 L130 K134E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.31Å; E77-V80 PolarHBondContact O-N 3.5Å; E77-E81 PolarHBondContact O-N 3.38Å; E77-L130 HydrophobicContact CB-CD1 4.21Å; E77-L130 HydrophobicContact CB-CD2 4.15Å; E77-L130 HydrophobicContact CG-CD1 3.84Å; E77-K134 VanDerWaalsContact OE1-CE 3.26Å; E77-K134 WeakPolarHBondContact OE1-CE 3.12Å; E77-K134 IonicContact OE1-NZ 3.66Å; E77-K134 PolarHBondContact OE1-NZ 2.83Å
78G98.6Very high98.4Very high30 Ų3042.8 Ų42.831%0.30924%0.237SC..Hα-helixtrans-60.9-41.2-18000000112.1V80 E81 N82G78-V80 PolarHBondContact O-N 2.88Å; G78-E81 PolarHBondContact O-N 3.46Å; G78-N82 WeakPolarHBondContact O-CB 3.19Å; G78-N82 PolarHBondContact O-N 2.94Å; G78-N82 PolarHBondContact O-ND2 3.46Å
79S97.9Very high98.4Very high42 Ų4250 Ų5029%0.29427%0.267SS..Hα-helixtrans-65.4-37.4176.6-60.90000112.7D76 E77 A83D76-S79 WeakPolarHBondContact OD1-CB 3Å; D76-S79 PolarHBondContact OD1-N 3.03Å; D76-S79 PolarHBondContact OD1-OG 3.29Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.31Å; S79-A83 WeakPolarHBondContact O-CB 3.33Å; S79-A83 PolarHBondContact O-N 3.49Å; S79-A83 VanDerWaalsContact O-N 3.11Å
80V98.8Very high98.4Very high0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-66.6-46.7175171.70000110.7V72 I74 D76 E77 G78 A83 V84 L130 T131 K134V72-V80 HydrophobicContact CG1-CG2 4.06Å; I74-V80 HydrophobicContact CB-CG2 4.2Å; I74-V80 HydrophobicContact CG2-CG2 4.37Å; D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 3.24Å; E77-V80 PolarHBondContact O-N 3.5Å; G78-V80 PolarHBondContact O-N 2.88Å; V80-A83 PolarHBondContact O-N 2.98Å; V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 3.29Å; V80-L130 HydrophobicContact CB-CD2 4.23Å; V80-L130 HydrophobicContact CB-CG 4.41Å; V80-L130 HydrophobicContact CG1-CG 4.23Å; V80-L130 HydrophobicContact CG2-CD2 3.99Å; V80-L130 HydrophobicContact CG2-CG 4.5Å; V80-T131 HydrophobicContact CG1-CG2 3.81Å; V80-T131 HydrophobicContact CG2-CG2 4.26Å; V80-K134 HydrophobicContact CG1-CB 4.35Å; V80-K134 HydrophobicContact CG1-CG 4.2Å
81E98.7Very high98.4Very high68 Ų6851.9 Ų51.932%0.31827%0.274SS..Hα-helixtrans-61.3-45.3179.1-175.3162.1-10700111.9E77 G78 A83 V84 H85 K134E77-E81 PolarHBondContact O-N 3.38Å; G78-E81 PolarHBondContact O-N 3.46Å; E81-A83 VanDerWaalsContact C-N 3.35Å; E81-A83 PolarHBondContact O-N 2.89Å; E81-V84 PolarHBondContact O-N 3.14Å; E81-H85 PolarHBondContact O-N 2.9Å; E81-K134 HydrophobicContact CB-CD 4.38Å; E81-K134 HydrophobicContact CG-CD 4.47Å; E81-K134 IonicContact OE1-NZ 3.56Å; E81-K134 PolarHBondContact OE1-NZ 3.48Å
82N98.7Very high98.5Very high96 Ų9652.1 Ų52.151%0.51328%0.283SS..Hα-helixtrans-59.5-43.9175.2-71.9-24.4000112G78 V84 H85 D86G78-N82 WeakPolarHBondContact O-CB 3.19Å; G78-N82 PolarHBondContact O-N 2.94Å; G78-N82 PolarHBondContact O-ND2 3.46Å; N82-V84 VanDerWaalsContact C-N 3.32Å; N82-V84 PolarHBondContact O-N 3.08Å; N82-H85 PolarHBondContact O-N 2.92Å; N82-D86 PolarHBondContact O-N 3.14Å
83A98.8Very high98.6Very high3 Ų352.4 Ų52.43%0.02529%0.288CS..Hα-helixtrans-65.9-35.1178.300000112.9F13 C70 V72 S79 V80 E81 A87F13-A83 HydrophobicContact CE2-CB 4.24Å; F13-A83 HydrophobicContact CZ-CB 4.14Å; C70-A83 HydrophobicContact CB-CB 4.07Å; V72-A83 HydrophobicContact CG2-CB 3.69Å; S79-A83 WeakPolarHBondContact O-CB 3.33Å; S79-A83 PolarHBondContact O-N 3.49Å; S79-A83 VanDerWaalsContact O-N 3.11Å; V80-A83 PolarHBondContact O-N 2.98Å; E81-A83 VanDerWaalsContact C-N 3.35Å; E81-A83 PolarHBondContact O-N 2.89Å; A83-A87 WeakPolarHBondContact O-CB 3.24Å; A83-A87 PolarHBondContact O-N 2.88Å
84V98.9Very high98.6Very high1 Ų150.9 Ų50.91%0.00628%0.28CS..Hα-helixtrans-64.9-44.2172.2168.90000110.5F13 V80 E81 N82 A87 V88 I94 K134 Y138F13-V84 HydrophobicContact CD2-CG2 4.41Å; F13-V84 HydrophobicContact CE1-CG2 4.47Å; F13-V84 HydrophobicContact CE2-CB 4.41Å; F13-V84 HydrophobicContact CE2-CG2 3.7Å; F13-V84 HydrophobicContact CZ-CG2 3.69Å; V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 3.29Å; E81-V84 PolarHBondContact O-N 3.14Å; N82-V84 VanDerWaalsContact C-N 3.32Å; N82-V84 PolarHBondContact O-N 3.08Å; V84-A87 WeakPolarHBondContact O-CB 3.23Å; V84-A87 PolarHBondContact O-N 2.89Å; V84-V88 VanDerWaalsContact O-CG2 3.29Å; V84-V88 WeakPolarHBondContact O-CG2 3.32Å; V84-V88 PolarHBondContact O-N 3.25Å; V84-I94 HydrophobicContact CG1-CD1 3.93Å; V84-K134 HydrophobicContact CG2-CB 4.06Å; V84-Y138 HydrophobicContact CG1-CD2 3.6Å; V84-Y138 HydrophobicContact CG1-CE2 3.33Å
85H98.7Very high98.6Very high86 Ų8651.4 Ų51.440%0.39828%0.283SS..Hα-helixtrans-63.3-42.9175.9-70.7168.3000112.5E81 N82 A87 V88 K89 Y138E81-H85 PolarHBondContact O-N 2.9Å; N82-H85 PolarHBondContact O-N 2.92Å; H85-A87 VanDerWaalsContact C-N 3.34Å; H85-A87 PolarHBondContact O-N 2.98Å; H85-V88 PolarHBondContact O-N 2.92Å; H85-K89 VanDerWaalsContact O-CB 3.3Å; H85-K89 WeakPolarHBondContact O-CB 3.11Å; H85-K89 PolarHBondContact O-N 3.45Å; H85-Y138 PolarHBondContact CD2-OH 3.37Å; H85-Y138 VanDerWaalsContact CD2-OH 3.3Å; H85-Y138 PolarHBondContact NE2-OH 2.96Å
86D98.8Very high98.7Very high79 Ų7946.7 Ų46.742%0.42227%0.265SS..Hα-helixtrans-61.8-43.1175.8-72.3-23.7000111L68 N82 V88 K89 T90L68-D86 HydrophobicContact CD2-CB 4.04Å; N82-D86 PolarHBondContact O-N 3.14Å; D86-V88 PolarHBondContact O-N 3.44Å; D86-K89 PolarHBondContact O-N 2.85Å; D86-T90 VanDerWaalsContact O-CB 3.32Å; D86-T90 WeakPolarHBondContact O-CB 3.39Å; D86-T90 PolarHBondContact O-N 2.81Å; D86-T90 PolarHBondContact O-OG1 3.46Å
87A98.8Very high98.7Very high0 Ų043 Ų430%025%0.245CC..Hα-helixtrans-56.7-47.8174.600000112.5F13 V37 L68 A83 V84 H85 T90 F91 I94F13-A87 HydrophobicContact CD2-CB 4.15Å; F13-A87 HydrophobicContact CE2-CB 4.42Å; V37-A87 HydrophobicContact CB-CB 4.43Å; V37-A87 HydrophobicContact CG1-CB 4.19Å; V37-A87 HydrophobicContact CG2-CB 3.54Å; L68-A87 HydrophobicContact CD2-CB 4.5Å; A83-A87 WeakPolarHBondContact O-CB 3.24Å; A83-A87 PolarHBondContact O-N 2.88Å; V84-A87 WeakPolarHBondContact O-CB 3.23Å; V84-A87 PolarHBondContact O-N 2.89Å; H85-A87 VanDerWaalsContact C-N 3.34Å; H85-A87 PolarHBondContact O-N 2.98Å; A87-T90 PolarHBondContact O-N 3.32Å; A87-F91 PolarHBondContact O-N 3.46Å; A87-I94 HydrophobicContact CB-CD1 4.38Å; A87-I94 HydrophobicContact CB-CG1 4.44Å
88V98.7Very high98.7Very high33 Ų3339.2 Ų39.220%0.223%0.228CC..Hα-helixtrans-67.3-40.4179.7174.60000110.9V84 H85 D86 T90 G92 I94 Y138V84-V88 VanDerWaalsContact O-CG2 3.29Å; V84-V88 WeakPolarHBondContact O-CG2 3.32Å; V84-V88 PolarHBondContact O-N 3.25Å; H85-V88 PolarHBondContact O-N 2.92Å; D86-V88 PolarHBondContact O-N 3.44Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.49Å; V88-G92 WeakPolarHBondContact O-CA 3.49Å; V88-G92 PolarHBondContact O-N 3.27Å; V88-I94 HydrophobicContact CG2-CD1 4.41Å; V88-I94 HydrophobicContact CG2-CG1 4.31Å; V88-Y138 HydrophobicContact CB-CD1 4.4Å; V88-Y138 HydrophobicContact CB-CE1 4.21Å; V88-Y138 HydrophobicContact CG1-CD1 4.07Å; V88-Y138 HydrophobicContact CG1-CE1 3.84Å; V88-Y138 HydrophobicContact CG2-CD1 3.44Å; V88-Y138 VanDerWaalsContact CG2-CD1 3.44Å; V88-Y138 HydrophobicContact CG2-CD2 3.95Å; V88-Y138 HydrophobicContact CG2-CE1 3.56Å; V88-Y138 HydrophobicContact CG2-CE2 4.06Å; V88-Y138 HydrophobicContact CG2-CG 3.63Å
89K98.7Very high98.8Very high184 Ų18437.8 Ų37.880%0.821%0.213SC*.Hα-helixtrans-63.4-39.6175.5-177.6-179.5176.5-176.60112.1H85 D86H85-K89 VanDerWaalsContact O-CB 3.3Å; H85-K89 WeakPolarHBondContact O-CB 3.11Å; H85-K89 PolarHBondContact O-N 3.45Å; D86-K89 PolarHBondContact O-N 2.85Å
90T98.8Very high98.8Very high62 Ų6236.9 Ų36.938%0.3821%0.205SC..Hα-helixtrans-80.9-38.8-176-61.80000113.1D86 A87 V88D86-T90 VanDerWaalsContact O-CB 3.32Å; D86-T90 WeakPolarHBondContact O-CB 3.39Å; D86-T90 PolarHBondContact O-N 2.81Å; D86-T90 PolarHBondContact O-OG1 3.46Å; A87-T90 PolarHBondContact O-N 3.32Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.49Å
91F98.8Very high98.7Very high30 Ų3037.5 Ų37.513%0.13221%0.21CC..Hα-helixtrans-119.5-3.2-171.6-58.4-57.9000114.7T11 N35 V37 R66 L68 A87 G93T11-F91 HydrophobicContact CG2-CB 4.01Å; T11-F91 HydrophobicContact CG2-CD2 3.84Å; T11-F91 HydrophobicContact CG2-CG 4.25Å; T11-F91 VanDerWaalsContact OG1-CB 3.32Å; T11-F91 WeakPolarHBondContact OG1-CB 3.19Å; N35-F91 HydrophobicContact CB-CB 4.32Å; N35-F91 HydrophobicContact CB-CD1 3.54Å; N35-F91 HydrophobicContact CB-CD2 3.88Å; N35-F91 HydrophobicContact CB-CE1 3.66Å; N35-F91 HydrophobicContact CB-CE2 3.98Å; N35-F91 HydrophobicContact CB-CG 3.66Å; N35-F91 HydrophobicContact CB-CZ 3.88Å; N35-F91 WeakPolarHBondContact OD1-CD1 3.4Å; V37-F91 HydrophobicContact CG2-CD2 4.07Å; V37-F91 HydrophobicContact CG2-CE2 3.99Å; R66-F91 HydrophobicContact CB-CE1 3.94Å; R66-F91 HydrophobicContact CB-CZ 4.31Å; L68-F91 HydrophobicContact CB-CE2 3.67Å; L68-F91 HydrophobicContact CB-CZ 4.08Å; A87-F91 PolarHBondContact O-N 3.46Å; F91-G93 VanDerWaalsContact C-N 3.32Å; F91-G93 PolarHBondContact O-N 3.44Å
92G98.5Very high98.7Very high64 Ų6436.9 Ų36.966%0.6621%0.213SC*.SBendtrans84-5.4176.500000115.5V88V88-G92 WeakPolarHBondContact O-CA 3.49Å; V88-G92 PolarHBondContact O-N 3.27Å
93G98.6Very high98.5Very high17 Ų1733 Ų3318%0.17519%0.194CC..  trans170.5-176.1-179.700000113.5T11 F91T11-G93 VanDerWaalsContact CB-O 3.23Å; T11-G93 WeakPolarHBondContact CB-O 3.29Å; T11-G93 VanDerWaalsContact CG2-O 3.24Å; T11-G93 WeakPolarHBondContact CG2-O 3.2Å; T11-G93 PolarHBondContact OG1-O 2.8Å; F91-G93 VanDerWaalsContact C-N 3.32Å; F91-G93 PolarHBondContact O-N 3.44Å
94I98.9Very high98.3Very high3 Ų335.7 Ų35.72%0.01521%0.208CC..  trans-130.8123.5175.8-60.5175.8000107.8F13 V84 A87 V88 Y138 L139F13-I94 HydrophobicContact CB-CD1 4.43Å; F13-I94 HydrophobicContact CB-CG2 4.11Å; F13-I94 HydrophobicContact CD2-CD1 4.07Å; V84-I94 HydrophobicContact CG1-CD1 3.93Å; A87-I94 HydrophobicContact CB-CD1 4.38Å; A87-I94 HydrophobicContact CB-CG1 4.44Å; V88-I94 HydrophobicContact CG2-CD1 4.41Å; V88-I94 HydrophobicContact CG2-CG1 4.31Å; I94-Y138 HydrophobicContact CD1-CD2 4.47Å; I94-L139 HydrophobicContact CG2-CD2 4.09Å; I94-L139 HydrophobicContact CG2-CG 4.48Å
95D98.9Very high97.9Very high22 Ų2236.1 Ų36.112%0.11821%0.211CC..SBendtrans-98.8-28.6176.9-63.5-88.4000112.2K10 T11 L139 S142 P145 H146K10-D95 WeakPolarHBondContact CA-OD2 3.45Å; K10-D95 HydrophobicContact CB-CB 4.27Å; K10-D95 HydrophobicContact CD-CB 4.02Å; K10-D95 VanDerWaalsContact CD-CG 3.44Å; K10-D95 WeakPolarHBondContact CD-OD1 3.21Å; K10-D95 WeakPolarHBondContact CD-OD2 3.19Å; K10-D95 IonicContact NZ-OD1 3.83Å; K10-D95 PolarHBondContact NZ-OD1 2.9Å; T11-D95 PolarHBondContact N-OD2 2.86Å; T11-D95 PolarHBondContact O-N 3.33Å; D95-L139 VanDerWaalsContact C-CD2 3.46Å; D95-L139 WeakPolarHBondContact O-CD2 3.38Å; D95-S142 PolarHBondContact OD1-OG 3.34Å; D95-P145 VanDerWaalsContact O-CA 3.26Å; D95-P145 WeakPolarHBondContact O-CA 3.48Å; D95-H146 PolarHBondContact O-N 3Å
96V99Very high97.5Very high3 Ų333.8 Ų33.82%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-141.3133.7-175.7177.10000109.9T11 L12 F13 I98 H146 L233T11-V96 PolarHBondContact O-N 2.77Å; T11-V96 VanDerWaalsContact O-N 3.08Å; L12-V96 CarbonylContact C-O 3.57Å; L12-V96 WeakPolarHBondContact CA-O 3.39Å; L12-V96 HydrophobicContact CB-CB 4.39Å; L12-V96 HydrophobicContact CD1-CB 4.38Å; L12-V96 HydrophobicContact CD1-CG2 4.33Å; L12-V96 HydrophobicContact CG-CB 3.81Å; L12-V96 HydrophobicContact CG-CG1 4.14Å; L12-V96 HydrophobicContact CG-CG2 4.2Å; F13-V96 PolarHBondContact N-O 2.89Å; V96-I98 HydrophobicContact CG1-CD1 4.3Å; V96-I98 HydrophobicContact CG1-CG1 3.76Å; V96-H146 CarbonylContact C-O 3.55Å; V96-H146 VanDerWaalsContact CA-O 3.29Å; V96-H146 WeakPolarHBondContact CA-O 3.37Å; V96-H146 HydrophobicContact CG1-CB 4.3Å; V96-H146 HydrophobicContact CG2-CB 4.25Å; V96-L233 HydrophobicContact CB-CD2 4.46Å; V96-L233 HydrophobicContact CG1-CD1 4.06Å; V96-L233 HydrophobicContact CG1-CD2 3.44Å; V96-L233 VanDerWaalsContact CG1-CD2 3.44Å; V96-L233 HydrophobicContact CG1-CG 4.38Å; V96-L233 HydrophobicContact CG2-CD2 4.14Å
97L99Very high97.1Very high0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-107132.1163.1170.264000109.4F13 S132 C135 L139 H146 I147 L148F13-L97 HydrophobicContact CB-CD1 4.41Å; F13-L97 HydrophobicContact CD1-CD1 3.75Å; F13-L97 WeakPolarHBondContact O-CA 3.49Å; F13-L97 WeakPolarHBondContact O-CD1 3.45Å; L97-S132 WeakPolarHBondContact CD2-OG 3.45Å; L97-C135 HydrophobicContact CB-CB 4.36Å; L97-C135 HydrophobicContact CD2-CB 4.1Å; L97-L139 HydrophobicContact CB-CD1 4.33Å; L97-H146 PolarHBondContact N-O 2.95Å; L97-I147 HydrophobicContact CB-CG1 4.31Å; L97-I147 HydrophobicContact CD2-CG1 4.49Å; L97-I147 HydrophobicContact CD2-CG2 4.22Å; L97-I147 HydrophobicContact CG-CG2 4.49Å; L97-I147 CarbonylContact O-C 3.52Å; L97-I147 WeakPolarHBondContact O-CA 3.43Å; L97-L148 PolarHBondContact O-N 2.71Å
98I99Very high96.8Very high0 Ų033 Ų330%021%0.206CC..EExtended strand (participates in β ladder)trans-118.5111.5170.6-51.7-172.5000109.3L12 F13 I14 T15 I25 V96 N100 L148 I150 L233L12-I98 HydrophobicContact CD2-CD1 4.37Å; F13-I98 PolarHBondContact O-N 2.94Å; I14-I98 HydrophobicContact CB-CB 4.38Å; I14-I98 HydrophobicContact CD1-CD1 4.04Å; I14-I98 HydrophobicContact CG1-CB 4.16Å; I14-I98 HydrophobicContact CG1-CD1 4.06Å; I14-I98 HydrophobicContact CG1-CG1 4.18Å; I14-I98 HydrophobicContact CG2-CB 4Å; I14-I98 HydrophobicContact CG2-CG2 4.24Å; T15-I98 PolarHBondContact N-O 3.01Å; T15-I98 PolarHBondContact OG1-O 3.43Å; I25-I98 HydrophobicContact CD1-CG2 4.36Å; I25-I98 HydrophobicContact CG2-CD1 3.38Å; V96-I98 HydrophobicContact CG1-CD1 4.3Å; V96-I98 HydrophobicContact CG1-CG1 3.76Å; I98-N100 HydrophobicContact CG2-CB 4.14Å; I98-N100 PolarHBondContact O-N 3.43Å; I98-L148 CarbonylContact C-O 3.42Å; I98-L148 WeakPolarHBondContact CA-O 3.29Å; I98-I150 HydrophobicContact CG2-CD1 4.26Å; I98-I150 HydrophobicContact CG2-CG1 4.22Å; I98-L233 HydrophobicContact CD1-CD1 3.99Å
99N99Very high96.6Very high1 Ų136.6 Ų36.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-87.784.8175.1-67.1-50.2000109.7T15 T128 T131 S132 L148 N149 I150 M174T15-N99 WeakPolarHBondContact OG1-CA 3.46Å; N99-T128 HydrophobicContact CB-CG2 3.94Å; N99-T131 PolarHBondContact OD1-OG1 3.36Å; N99-S132 PolarHBondContact ND2-OG 3.17Å; N99-S132 VanDerWaalsContact ND2-OG 3.08Å; N99-L148 PolarHBondContact N-O 3.2Å; N99-N149 WeakPolarHBondContact CB-OD1 3.47Å; N99-N149 PolarHBondContact ND2-OD1 3.27Å; N99-I150 PolarHBondContact O-N 3.23Å; N99-M174 HydrophobicContact CB-CE 4.48Å; N99-M174 WeakPolarHBondContact O-CE 3.49Å
100N98.8Very high96.5Very high22 Ų2236.5 Ų36.512%0.11824%0.236CC..  trans-104.7-27.7-179.3156.290.7000113.1T15 G16 G22 I98 S102 I150T15-N100 VanDerWaalsContact O-CB 3.24Å; T15-N100 WeakPolarHBondContact O-CB 3.21Å; T15-N100 PolarHBondContact O-ND2 2.88Å; T15-N100 PolarHBondContact OG1-N 3.17Å; T15-N100 VanDerWaalsContact OG1-N 3.08Å; G16-N100 PolarHBondContact O-ND2 3.48Å; G16-N100 VanDerWaalsContact O-ND2 3.13Å; G22-N100 WeakPolarHBondContact CA-ND2 3.39Å; G22-N100 PolarHBondContact N-OD1 2.67Å; I98-N100 HydrophobicContact CG2-CB 4.14Å; I98-N100 PolarHBondContact O-N 3.43Å; N100-S102 PolarHBondContact O-N 3.42Å; N100-I150 HydrophobicContact CB-CB 4.44Å; N100-I150 HydrophobicContact CB-CG1 3.72Å
101A97.8Very high96.1Very high13 Ų1336 Ų3611%0.10724%0.242CC..  trans-55130.7179.300000111T15 I74 I123T15-A101 PolarHBondContact O-N 3.03Å; T15-A101 VanDerWaalsContact O-N 3.13Å; T15-A101 WeakPolarHBondContact OG1-CB 3.25Å; T15-A101 PolarHBondContact OG1-N 3.07Å; T15-A101 VanDerWaalsContact OG1-N 3.07Å; I74-A101 HydrophobicContact CD1-CB 3.54Å; A101-I123 HydrophobicContact CB-CG2 4.38Å
102S96.8Very high95.9Very high55 Ų5535.4 Ų35.439%0.38524%0.241SC..  trans-151.7156.2-179.8-74.30000111.6N100 N124 K171N100-S102 PolarHBondContact O-N 3.42Å; S102-N124 WeakPolarHBondContact CA-OD1 3.41Å; S102-K171 PolarHBondContact OG-NZ 3Å; S102-K171 VanDerWaalsContact OG-NZ 3.13Å
103A95.8Very high95.8Very high14 Ų1435.2 Ų35.212%0.11623%0.23CC..  trans-123.6152.5166.300000109.9L119 M120 I123 N124A103-L119 HydrophobicContact CB-CD2 4.42Å; A103-L119 HydrophobicContact CB-CG 4.07Å; A103-M120 HydrophobicContact CB-CG 4.33Å; A103-I123 HydrophobicContact CB-CB 4.4Å; A103-I123 HydrophobicContact CB-CD1 3.94Å; A103-N124 PolarHBondContact N-OD1 3.35Å; A103-N124 PolarHBondContact O-ND2 2.78Å; A103-N124 PolarHBondContact O-OD1 3.37Å
104I93.6Very high95.8Very high60 Ų6040.1 Ų40.131%0.30825%0.25SC..  trans-141.5136.7-172.3-179.4164.2000110.2L106 Y167 L209I104-L106 HydrophobicContact CD1-CD1 4.35Å; I104-L106 HydrophobicContact CD1-CD2 4.04Å; I104-L106 HydrophobicContact CD1-CG 4.11Å; I104-L106 HydrophobicContact CG1-CD2 4.07Å; I104-L106 HydrophobicContact CG1-CG 4.07Å; I104-Y167 HydrophobicContact CB-CD2 4.06Å; I104-Y167 HydrophobicContact CB-CE2 3.73Å; I104-Y167 HydrophobicContact CD1-CD1 4.5Å; I104-Y167 HydrophobicContact CD1-CD2 4.48Å; I104-Y167 HydrophobicContact CD1-CE1 3.95Å; I104-Y167 HydrophobicContact CD1-CE2 3.91Å; I104-Y167 HydrophobicContact CG1-CD1 4.44Å; I104-Y167 HydrophobicContact CG1-CD2 3.86Å; I104-Y167 HydrophobicContact CG1-CE1 4.29Å; I104-Y167 HydrophobicContact CG1-CE2 3.66Å; I104-Y167 HydrophobicContact CG1-CG 4.24Å; I104-L209 HydrophobicContact CD1-CD1 3.73Å; I104-L209 HydrophobicContact CG1-CD1 4.36Å; I104-L209 HydrophobicContact CG2-CD1 3.85Å; I104-L209 HydrophobicContact CG2-CD2 4.45Å
105S91.6Very high95.8Very high10 Ų1048.5 Ų48.57%0.0729%0.286CS..  trans-148111168.8-179.10000107.7T107 R116 M120S105-T107 VanDerWaalsContact C-N 3.34Å; S105-T107 PolarHBondContact O-N 2.9Å; S105-T107 VanDerWaalsContact O-N 3.16Å; S105-T107 PolarHBondContact OG-OG1 2.67Å; S105-R116 WeakPolarHBondContact OG-CD 3.3Å; S105-R116 PolarHBondContact OG-NH1 2.72Å; S105-M120 PolarHBondContact N-SD 2.77Å
106L90.6Very high95.7Very high37 Ų3753.5 Ų53.519%0.19430%0.303CS..  trans-90.174.2-178.9-60.1179.5000109.8I104 H164 Y167 F274 M386I104-L106 HydrophobicContact CD1-CD1 4.35Å; I104-L106 HydrophobicContact CD1-CD2 4.04Å; I104-L106 HydrophobicContact CD1-CG 4.11Å; I104-L106 HydrophobicContact CG1-CD2 4.07Å; I104-L106 HydrophobicContact CG1-CG 4.07Å; L106-H164 HydrophobicContact CB-CB 4.49Å; L106-H164 HydrophobicContact CD2-CB 3.96Å; L106-Y167 HydrophobicContact CD2-CD1 3.59Å; L106-Y167 HydrophobicContact CD2-CE1 4.09Å; L106-Y167 HydrophobicContact CD2-CG 4.16Å; L106-F274 HydrophobicContact CD1-CE2 4.09Å; L106-F274 HydrophobicContact CD1-CZ 3.65Å; L106-F274 HydrophobicContact CD2-CZ 4.5Å; L106-M386 HydrophobicContact CB-SD 4.43Å; L106-M386 HydrophobicContact CD1-SD 3.85Å
107T90.2Very high95.7Very high31 Ų3156.1 Ų56.119%0.1931%0.314CS..  trans-130.7142.8-178.143.80000110.6S105 T112 N163 H164S105-T107 VanDerWaalsContact C-N 3.34Å; S105-T107 PolarHBondContact O-N 2.9Å; S105-T107 VanDerWaalsContact O-N 3.16Å; S105-T107 PolarHBondContact OG-OG1 2.67Å; T107-T112 WeakPolarHBondContact CB-OG1 3.14Å; T107-T112 PolarHBondContact O-OG1 3.19Å; T107-T112 VanDerWaalsContact O-OG1 3.1Å; T107-T112 PolarHBondContact OG1-OG1 2.95Å; T107-N163 CarbonylContact C-O 3.58Å; T107-N163 VanDerWaalsContact C-O 3.28Å; T107-H164 WeakPolarHBondContact O-CA 3.33Å
108G91Very high95.6Very high33 Ų3359.9 Ų59.934%0.3433%0.334SS..  trans-65.5172.8170.200000112.2L110 G111 T112 N163G108-L110 PolarHBondContact O-N 2.99Å; G108-G111 CarbonylContact O-C 3.51Å; G108-G111 PolarHBondContact O-N 3.27Å; G108-T112 PolarHBondContact O-N 2.79Å; G108-T112 PolarHBondContact O-OG1 2.9Å; G108-N163 PolarHBondContact N-O 2.95Å
109T95.3Very high95.6Very high108 Ų10863 Ų6366%0.66335%0.351SS*.G310 helixtrans-53.1-53.4-173.7-53.10000112.9G111 T112T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.45Å; T109-T112 PolarHBondContact O-N 3.41Å
110L95.8Very high95.6Very high182 Ų18263 Ų6395%0.95335%0.351SS*.G310 helixtrans-68.1-24.1179.9-61.2179.8000113.5G108G108-L110 PolarHBondContact O-N 2.99Å
111G92Very high95.6Very high50 Ų5063.4 Ų63.452%0.51535%0.353SS..G310 helixtrans-85.6-10.5177.800000113.9G108 T109G108-G111 CarbonylContact O-C 3.51Å; G108-G111 PolarHBondContact O-N 3.27Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.45Å
112T93.2Very high95.6Very high18 Ų1864.6 Ų64.611%0.1136%0.361CS..  trans-94107-178-55.50000109.6T107 G108 T109 R116 F117 M120 A166T107-T112 WeakPolarHBondContact CB-OG1 3.14Å; T107-T112 PolarHBondContact O-OG1 3.19Å; T107-T112 VanDerWaalsContact O-OG1 3.1Å; T107-T112 PolarHBondContact OG1-OG1 2.95Å; G108-T112 PolarHBondContact O-N 2.79Å; G108-T112 PolarHBondContact O-OG1 2.9Å; T109-T112 PolarHBondContact O-N 3.41Å; T112-R116 HydrophobicContact CG2-CB 4.38Å; T112-F117 HydrophobicContact CG2-CB 4.11Å; T112-M120 HydrophobicContact CG2-CE 4.34Å; T112-A166 HydrophobicContact CG2-CB 3.97Å
113S97.5Very high95.7Very high61 Ų6162.7 Ų62.743%0.42735%0.346SS..  trans-66.5149.9171.168.30000111.2K115 R116 F117S113-K115 PolarHBondContact O-N 3.31Å; S113-R116 WeakPolarHBondContact O-CA 3.27Å; S113-R116 WeakPolarHBondContact O-CB 3.46Å; S113-R116 PolarHBondContact O-N 3.37Å; S113-R116 PolarHBondContact OG-N 3.27Å; S113-F117 PolarHBondContact O-N 3.24Å
114M98.4Very high95.8Very high120 Ų12062 Ų6259%0.59134%0.34SS*.Hα-helixtrans-58.6-36.5178.3-67.1-49.1-57.400112.4R116 F117 D118M114-R116 VanDerWaalsContact C-N 3.27Å; M114-R116 PolarHBondContact O-N 3.25Å; M114-F117 HydrophobicContact CE-CB 4.25Å; M114-F117 HydrophobicContact CE-CD1 3.85Å; M114-F117 HydrophobicContact CE-CG 4.17Å; M114-F117 WeakPolarHBondContact O-CB 3.48Å; M114-F117 PolarHBondContact O-N 2.9Å; M114-F117 VanDerWaalsContact O-N 3.15Å; M114-D118 WeakPolarHBondContact O-CB 3.41Å; M114-D118 PolarHBondContact O-N 2.88Å
115K98.2Very high96.1Very high178 Ų17861.2 Ų61.277%0.77434%0.339SS*.Hα-helixtrans-56.7-37.9172.3-175176.1-178.8176.10113.2S113 L119S113-K115 PolarHBondContact O-N 3.31Å; K115-L119 VanDerWaalsContact O-CB 3.24Å; K115-L119 WeakPolarHBondContact O-CB 3.47Å; K115-L119 PolarHBondContact O-N 2.81Å; K115-L119 VanDerWaalsContact O-N 3.09Å
116R96.6Very high96.4Very high127 Ų12765.7 Ų65.748%0.47936%0.355SS..Hα-helixtrans-76.8-39.5176.3-74.3-172.2178.4-179.23111.8S105 T112 S113 M114 L119 M120S105-R116 WeakPolarHBondContact OG-CD 3.3Å; S105-R116 PolarHBondContact OG-NH1 2.72Å; T112-R116 HydrophobicContact CG2-CB 4.38Å; S113-R116 WeakPolarHBondContact O-CA 3.27Å; S113-R116 WeakPolarHBondContact O-CB 3.46Å; S113-R116 PolarHBondContact O-N 3.37Å; S113-R116 PolarHBondContact OG-N 3.27Å; M114-R116 VanDerWaalsContact C-N 3.27Å; M114-R116 PolarHBondContact O-N 3.25Å; R116-L119 PolarHBondContact O-N 2.89Å; R116-M120 WeakPolarHBondContact O-CG 3.37Å; R116-M120 PolarHBondContact O-N 3.36Å
117F98.6Very high96.8Very high58 Ų5863.9 Ų63.925%0.25435%0.346SS..Hα-helixtrans-57.4-51.6173.6-177.9-87.2000111T112 S113 M114 L119 M120 N121 A166 M169T112-F117 HydrophobicContact CG2-CB 4.11Å; S113-F117 PolarHBondContact O-N 3.24Å; M114-F117 HydrophobicContact CE-CB 4.25Å; M114-F117 HydrophobicContact CE-CD1 3.85Å; M114-F117 HydrophobicContact CE-CG 4.17Å; M114-F117 WeakPolarHBondContact O-CB 3.48Å; M114-F117 PolarHBondContact O-N 2.9Å; M114-F117 VanDerWaalsContact O-N 3.15Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 2.92Å; F117-M120 PolarHBondContact O-N 2.79Å; F117-N121 WeakPolarHBondContact CD1-ND2 3.31Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.36Å; F117-N121 VanDerWaalsContact CZ-ND2 3.26Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.46Å; F117-N121 PolarHBondContact O-N 2.94Å; F117-N121 PolarHBondContact O-ND2 2.85Å; F117-A166 HydrophobicContact CD2-CB 3.64Å; F117-A166 HydrophobicContact CE2-CB 4.09Å; F117-M169 HydrophobicContact CZ-CE 4.38Å
118D98.7Very high97.2Very high79 Ų7962.5 Ų62.542%0.42234%0.337SS..Hα-helixtrans-63.3-39.6178.9-64.1-21.3000111M114 N121 S122M114-D118 WeakPolarHBondContact O-CB 3.41Å; M114-D118 PolarHBondContact O-N 2.88Å; D118-N121 PolarHBondContact O-N 2.92Å; D118-S122 WeakPolarHBondContact O-CA 3.46Å; D118-S122 WeakPolarHBondContact O-CB 3.33Å; D118-S122 PolarHBondContact O-N 2.97Å; D118-S122 PolarHBondContact O-OG 2.96Å
119L98.3Very high97.6Very high65 Ų6565.7 Ų65.734%0.3434%0.342SS..Hα-helixtrans-60.4-48.1176-179.166.7000111.9A103 K115 R116 F117 I123A103-L119 HydrophobicContact CB-CD2 4.42Å; A103-L119 HydrophobicContact CB-CG 4.07Å; K115-L119 VanDerWaalsContact O-CB 3.24Å; K115-L119 WeakPolarHBondContact O-CB 3.47Å; K115-L119 PolarHBondContact O-N 2.81Å; K115-L119 VanDerWaalsContact O-N 3.09Å; R116-L119 PolarHBondContact O-N 2.89Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 2.92Å; L119-I123 HydrophobicContact CD1-CD1 3.49Å; L119-I123 VanDerWaalsContact CD1-CD1 3.49Å; L119-I123 HydrophobicContact CD1-CG1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.13Å; L119-I123 WeakPolarHBondContact O-CB 3.37Å; L119-I123 WeakPolarHBondContact O-CG1 3.46Å; L119-I123 PolarHBondContact O-N 3.38Å
120M98.3Very high97.8Very high2 Ų261 Ų611%0.0131%0.312CS..Hα-helixtrans-63.3-47.9178.6-70.5-171.8-65.100111.2A103 S105 T112 R116 F117 N124 A166 Y167 A170A103-M120 HydrophobicContact CB-CG 4.33Å; S105-M120 PolarHBondContact N-SD 2.77Å; T112-M120 HydrophobicContact CG2-CE 4.34Å; R116-M120 WeakPolarHBondContact O-CG 3.37Å; R116-M120 PolarHBondContact O-N 3.36Å; F117-M120 PolarHBondContact O-N 2.79Å; M120-N124 WeakPolarHBondContact O-CB 3.34Å; M120-N124 PolarHBondContact O-N 2.92Å; M120-N124 PolarHBondContact O-OD1 3.31Å; M120-A166 HydrophobicContact CE-CB 3.55Å; M120-Y167 HydrophobicContact SD-CD2 3.97Å; M120-Y167 HydrophobicContact SD-CG 4.35Å; M120-A170 HydrophobicContact CB-CB 3.87Å
121N98.7Very high97.9Very high31 Ų3152.3 Ų52.317%0.16627%0.267CS..Iπ-helixtrans-69.5-37.9-179-76.4-73.6000112.7F117 D118 I123 C125 R126F117-N121 WeakPolarHBondContact CD1-ND2 3.31Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.36Å; F117-N121 VanDerWaalsContact CZ-ND2 3.26Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.46Å; F117-N121 PolarHBondContact O-N 2.94Å; F117-N121 PolarHBondContact O-ND2 2.85Å; D118-N121 PolarHBondContact O-N 2.92Å; N121-I123 VanDerWaalsContact C-N 3.3Å; N121-I123 PolarHBondContact O-N 2.86Å; N121-C125 WeakPolarHBondContact O-CA 3.5Å; N121-C125 VanDerWaalsContact O-CB 3.3Å; N121-C125 WeakPolarHBondContact O-CB 3.39Å; N121-C125 PolarHBondContact O-N 3.28Å; N121-C125 VanDerWaalsContact O-N 3.09Å; N121-R126 PolarHBondContact O-N 2.87Å
122S98.6Very high98.2Very high38 Ų3849.9 Ų49.927%0.26624%0.242SC..Iπ-helixtrans-68.1-30.4-179.9-60.40000112.7D118 G127D118-S122 WeakPolarHBondContact O-CA 3.46Å; D118-S122 WeakPolarHBondContact O-CB 3.33Å; D118-S122 PolarHBondContact O-N 2.97Å; D118-S122 PolarHBondContact O-OG 2.96Å; S122-G127 PolarHBondContact O-N 3.21Å
123I98.6Very high98.5Very high14 Ų1453.5 Ų53.57%0.07226%0.258CS..Iπ-helixtrans-90.5-53.8178.7-65.1176.4000110.6I74 R75 A101 A103 L119 N121 G127I74-I123 HydrophobicContact CD1-CG2 3.98Å; I74-I123 WeakPolarHBondContact CD1-O 3.37Å; I74-I123 HydrophobicContact CG1-CG2 4.45Å; R75-I123 HydrophobicContact CG-CG1 3.82Å; A101-I123 HydrophobicContact CB-CG2 4.38Å; A103-I123 HydrophobicContact CB-CB 4.4Å; A103-I123 HydrophobicContact CB-CD1 3.94Å; L119-I123 HydrophobicContact CD1-CD1 3.49Å; L119-I123 VanDerWaalsContact CD1-CD1 3.49Å; L119-I123 HydrophobicContact CD1-CG1 4.32Å; L119-I123 HydrophobicContact CG-CD1 4.13Å; L119-I123 WeakPolarHBondContact O-CB 3.37Å; L119-I123 WeakPolarHBondContact O-CG1 3.46Å; L119-I123 PolarHBondContact O-N 3.38Å; N121-I123 VanDerWaalsContact C-N 3.3Å; N121-I123 PolarHBondContact O-N 2.86Å; I123-G127 VanDerWaalsContact O-CA 3.32Å; I123-G127 WeakPolarHBondContact O-CA 3.29Å; I123-G127 PolarHBondContact O-N 2.98Å
124N98.7Very high98.6Very high0 Ų052.1 Ų52.10%024%0.244CC..Iπ-helixtrans-74.2-58.8-172.1-54.2-0.4000110S102 A103 M120 T128 A170 M174S102-N124 WeakPolarHBondContact CA-OD1 3.41Å; A103-N124 PolarHBondContact N-OD1 3.35Å; A103-N124 PolarHBondContact O-ND2 2.78Å; A103-N124 PolarHBondContact O-OD1 3.37Å; M120-N124 WeakPolarHBondContact O-CB 3.34Å; M120-N124 PolarHBondContact O-N 2.92Å; M120-N124 PolarHBondContact O-OD1 3.31Å; N124-T128 WeakPolarHBondContact O-CB 3.34Å; N124-T128 PolarHBondContact O-N 3.14Å; N124-T128 PolarHBondContact O-OG1 2.85Å; N124-A170 HydrophobicContact CB-CB 4.01Å; N124-A170 VanDerWaalsContact CB-O 3.3Å; N124-A170 WeakPolarHBondContact CB-O 3.42Å; N124-M174 HydrophobicContact CB-CG 4.17Å; N124-M174 HydrophobicContact CB-SD 3.84Å; N124-M174 WeakPolarHBondContact O-CG 3.22Å
125C98.6Very high98.6Very high43 Ų4346.4 Ų46.429%0.29122%0.216SC..Iπ-helixtrans-75-69.9-175.9175.30000111.3N121 G127 T128 F129 A173N121-C125 WeakPolarHBondContact O-CA 3.5Å; N121-C125 VanDerWaalsContact O-CB 3.3Å; N121-C125 WeakPolarHBondContact O-CB 3.39Å; N121-C125 PolarHBondContact O-N 3.28Å; N121-C125 VanDerWaalsContact O-N 3.09Å; C125-G127 VanDerWaalsContact C-N 3.34Å; C125-G127 PolarHBondContact O-N 2.91Å; C125-T128 PolarHBondContact O-N 3.18Å; C125-F129 PolarHBondContact O-N 3.03Å; C125-A173 HydrophobicContact CB-CB 3.59Å; C125-A173 VanDerWaalsContact SG-CB 3.55Å
126R98.8Very high98.6Very high104 Ų10438.9 Ų38.939%0.39218%0.184SC..Iπ-helixtrans-61-43.3-175-176.4179.7178.1-82.91.6111.6R75 N121 F129 L130R75-R126 PolarHBondContact O-NH1 2.8Å; N121-R126 PolarHBondContact O-N 2.87Å; R126-F129 PolarHBondContact O-N 2.73Å; R126-L130 WeakPolarHBondContact O-CB 3.43Å; R126-L130 PolarHBondContact O-N 2.99Å
127G98.7Very high98.7Very high0 Ų036 Ų360%018%0.182CC..Iπ-helixtrans-58-50.117900000112S122 I123 C125 F129 L130 T131S122-G127 PolarHBondContact O-N 3.21Å; I123-G127 VanDerWaalsContact O-CA 3.32Å; I123-G127 WeakPolarHBondContact O-CA 3.29Å; I123-G127 PolarHBondContact O-N 2.98Å; C125-G127 VanDerWaalsContact C-N 3.34Å; C125-G127 PolarHBondContact O-N 2.91Å; G127-F129 PolarHBondContact O-N 2.79Å; G127-L130 PolarHBondContact O-N 3.1Å; G127-T131 WeakPolarHBondContact O-CG2 3.37Å; G127-T131 PolarHBondContact O-N 3.43Å; G127-T131 PolarHBondContact O-OG1 3.18Å
128T98.9Very high98.7Very high2 Ų235.6 Ų35.61%0.01218%0.179CC..Hα-helixtrans-59.4-44.7176.4-64.30000112.5N99 N124 C125 T131 S132 M174 C177N99-T128 HydrophobicContact CB-CG2 3.94Å; N124-T128 WeakPolarHBondContact O-CB 3.34Å; N124-T128 PolarHBondContact O-N 3.14Å; N124-T128 PolarHBondContact O-OG1 2.85Å; C125-T128 PolarHBondContact O-N 3.18Å; T128-T131 PolarHBondContact O-OG1 3.02Å; T128-S132 VanDerWaalsContact O-CB 3.28Å; T128-S132 WeakPolarHBondContact O-CB 3.38Å; T128-S132 PolarHBondContact O-N 3.01Å; T128-S132 VanDerWaalsContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.36Å; T128-M174 HydrophobicContact CG2-CB 4.34Å; T128-M174 HydrophobicContact CG2-CG 4.37Å; T128-M174 WeakPolarHBondContact OG1-CG 3.27Å; T128-C177 HydrophobicContact CG2-CB 4.39Å
129F98.9Very high98.8Very high100 Ų10031.9 Ų31.944%0.43916%0.159SC..Hα-helixtrans-63.5-48.8178.5-173.1-85.1000111.4C125 R126 G127 S132 Q133 M181C125-F129 PolarHBondContact O-N 3.03Å; R126-F129 PolarHBondContact O-N 2.73Å; G127-F129 PolarHBondContact O-N 2.79Å; F129-S132 PolarHBondContact O-N 3.26Å; F129-Q133 WeakPolarHBondContact O-CB 3.19Å; F129-Q133 PolarHBondContact O-N 3.01Å; F129-M181 HydrophobicContact CD2-CE 3.61Å; F129-M181 HydrophobicContact CE2-CE 3.88Å; F129-M181 HydrophobicContact CG-CE 4.31Å
130L98.9Very high98.8Very high8 Ų832.9 Ų32.94%0.04216%0.161CC..Hα-helixtrans-61.5-50.3-178.6169.462.6000112.1E77 V80 R126 G127 S132 Q133 K134E77-L130 HydrophobicContact CB-CD1 4.21Å; E77-L130 HydrophobicContact CB-CD2 4.15Å; E77-L130 HydrophobicContact CG-CD1 3.84Å; V80-L130 HydrophobicContact CB-CD2 4.23Å; V80-L130 HydrophobicContact CB-CG 4.41Å; V80-L130 HydrophobicContact CG1-CG 4.23Å; V80-L130 HydrophobicContact CG2-CD2 3.99Å; V80-L130 HydrophobicContact CG2-CG 4.5Å; R126-L130 WeakPolarHBondContact O-CB 3.43Å; R126-L130 PolarHBondContact O-N 2.99Å; G127-L130 PolarHBondContact O-N 3.1Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 2.93Å; L130-Q133 WeakPolarHBondContact O-CB 3.41Å; L130-Q133 PolarHBondContact O-N 2.99Å; L130-K134 HydrophobicContact CD1-CD 4.49Å; L130-K134 HydrophobicContact CD1-CG 3.92Å; L130-K134 WeakPolarHBondContact O-CG 3.36Å; L130-K134 PolarHBondContact O-N 3.45Å
131T98.9Very high98.8Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-63.6-37.8-179.549.80000111T15 I74 V80 N99 G127 T128 C135T15-T131 HydrophobicContact CG2-CG2 3.82Å; I74-T131 HydrophobicContact CB-CG2 4.41Å; I74-T131 HydrophobicContact CG2-CG2 4.24Å; V80-T131 HydrophobicContact CG1-CG2 3.81Å; V80-T131 HydrophobicContact CG2-CG2 4.26Å; N99-T131 PolarHBondContact OD1-OG1 3.36Å; G127-T131 WeakPolarHBondContact O-CG2 3.37Å; G127-T131 PolarHBondContact O-N 3.43Å; G127-T131 PolarHBondContact O-OG1 3.18Å; T128-T131 PolarHBondContact O-OG1 3.02Å; T131-C135 WeakPolarHBondContact O-CB 3.33Å; T131-C135 PolarHBondContact O-N 3.04Å; T131-C135 PolarHBondContact O-SG 3.29Å
132S98.9Very high98.8Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-61.8-51.9172.6-54.50000111L97 N99 T128 F129 L130 K134 C135 I136L97-S132 WeakPolarHBondContact CD2-OG 3.45Å; N99-S132 PolarHBondContact ND2-OG 3.17Å; N99-S132 VanDerWaalsContact ND2-OG 3.08Å; T128-S132 VanDerWaalsContact O-CB 3.28Å; T128-S132 WeakPolarHBondContact O-CB 3.38Å; T128-S132 PolarHBondContact O-N 3.01Å; T128-S132 VanDerWaalsContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.36Å; F129-S132 PolarHBondContact O-N 3.26Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 2.93Å; S132-K134 VanDerWaalsContact C-N 3.3Å; S132-K134 PolarHBondContact O-N 3.49Å; S132-C135 PolarHBondContact O-N 3.31Å; S132-C135 VanDerWaalsContact O-N 3.12Å; S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.49Å; S132-I136 PolarHBondContact O-N 2.94Å
133Q98.8Very high98.7Very high93 Ų9346.9 Ų46.944%0.43522%0.22SC..Hα-helixtrans-52.7-46.1178-175-170.568.200112.3F129 L130 P137F129-Q133 WeakPolarHBondContact O-CB 3.19Å; F129-Q133 PolarHBondContact O-N 3.01Å; L130-Q133 WeakPolarHBondContact O-CB 3.41Å; L130-Q133 PolarHBondContact O-N 2.99Å; Q133-P137 WeakPolarHBondContact O-CD 3.49Å
134K98.9Very high98.7Very high33 Ų3348.1 Ų48.114%0.14323%0.227CC..Hα-helixtrans-74.2-29.4-178.8-59.6-61.5179.8171.80113.1E77 V80 E81 V84 L130 S132E77-K134 VanDerWaalsContact OE1-CE 3.26Å; E77-K134 WeakPolarHBondContact OE1-CE 3.12Å; E77-K134 IonicContact OE1-NZ 3.66Å; E77-K134 PolarHBondContact OE1-NZ 2.83Å; V80-K134 HydrophobicContact CG1-CB 4.35Å; V80-K134 HydrophobicContact CG1-CG 4.2Å; E81-K134 HydrophobicContact CB-CD 4.38Å; E81-K134 HydrophobicContact CG-CD 4.47Å; E81-K134 IonicContact OE1-NZ 3.56Å; E81-K134 PolarHBondContact OE1-NZ 3.48Å; V84-K134 HydrophobicContact CG2-CB 4.06Å; L130-K134 HydrophobicContact CD1-CD 4.49Å; L130-K134 HydrophobicContact CD1-CG 3.92Å; L130-K134 WeakPolarHBondContact O-CG 3.36Å; L130-K134 PolarHBondContact O-N 3.45Å; S132-K134 VanDerWaalsContact C-N 3.3Å; S132-K134 PolarHBondContact O-N 3.49Å
135C98.9Very high98.7Very high0 Ų048.3 Ų48.30%023%0.228CC..Hα-helixtrans-82.9-28.7178.1-660000113.8L97 T131 S132 P137 Y138 L139L97-C135 HydrophobicContact CB-CB 4.36Å; L97-C135 HydrophobicContact CD2-CB 4.1Å; T131-C135 WeakPolarHBondContact O-CB 3.33Å; T131-C135 PolarHBondContact O-N 3.04Å; T131-C135 PolarHBondContact O-SG 3.29Å; S132-C135 PolarHBondContact O-N 3.31Å; S132-C135 VanDerWaalsContact O-N 3.12Å; C135-P137 VanDerWaalsContact C-CD 3.49Å; C135-Y138 PolarHBondContact O-N 3.42Å; C135-L139 HydrophobicContact CB-CD1 4.01Å; C135-L139 HydrophobicContact CB-CG 4.4Å; C135-L139 WeakPolarHBondContact O-CG 3.49Å; C135-L139 PolarHBondContact O-N 3.48Å
136I98.9Very high98.7Very high20 Ų2046.3 Ų46.310%0.10322%0.215CC..Hα-helixtrans-50.8-45.6-175-79.7159.4000113.6S132 Y138 L139 K140 I147 L185 I190S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.49Å; S132-I136 PolarHBondContact O-N 2.94Å; I136-Y138 PolarHBondContact O-N 3.45Å; I136-Y138 VanDerWaalsContact O-N 3.14Å; I136-L139 PolarHBondContact O-N 2.86Å; I136-K140 HydrophobicContact CG2-CD 4.37Å; I136-K140 HydrophobicContact CG2-CG 4.39Å; I136-K140 WeakPolarHBondContact O-CG 3.47Å; I136-K140 PolarHBondContact O-N 2.99Å; I136-I147 HydrophobicContact CG1-CD1 4.14Å; I136-L185 HydrophobicContact CD1-CD1 3.77Å; I136-L185 HydrophobicContact CD1-CD2 4.19Å; I136-L185 HydrophobicContact CG1-CD1 3.85Å; I136-L185 HydrophobicContact CG1-CD2 4.46Å; I136-L185 HydrophobicContact CG2-CD2 4.13Å; I136-I190 HydrophobicContact CG2-CD1 4.47Å
137P98.8Very high98.7Very high67 Ų6741.4 Ų41.444%0.43520%0.196SC..Hα-helixtrans-56.7-31.3179.2-27.536.1000114.2Q133 C135 Q141Q133-P137 WeakPolarHBondContact O-CD 3.49Å; C135-P137 VanDerWaalsContact C-CD 3.49Å; P137-Q141 PolarHBondContact O-NE2 2.82Å
138Y98.9Very high98.7Very high49 Ų4941.5 Ų41.519%0.19220%0.196CC..Hα-helixtrans-89.2-35.5179.7-54.5-72.3000111.7V84 H85 V88 I94 C135 I136 K140 Q141V84-Y138 HydrophobicContact CG1-CD2 3.6Å; V84-Y138 HydrophobicContact CG1-CE2 3.33Å; H85-Y138 PolarHBondContact CD2-OH 3.37Å; H85-Y138 VanDerWaalsContact CD2-OH 3.3Å; H85-Y138 PolarHBondContact NE2-OH 2.96Å; V88-Y138 HydrophobicContact CB-CD1 4.4Å; V88-Y138 HydrophobicContact CB-CE1 4.21Å; V88-Y138 HydrophobicContact CG1-CD1 4.07Å; V88-Y138 HydrophobicContact CG1-CE1 3.84Å; V88-Y138 HydrophobicContact CG2-CD1 3.44Å; V88-Y138 VanDerWaalsContact CG2-CD1 3.44Å; V88-Y138 HydrophobicContact CG2-CD2 3.95Å; V88-Y138 HydrophobicContact CG2-CE1 3.56Å; V88-Y138 HydrophobicContact CG2-CE2 4.06Å; V88-Y138 HydrophobicContact CG2-CG 3.63Å; I94-Y138 HydrophobicContact CD1-CD2 4.47Å; C135-Y138 PolarHBondContact O-N 3.42Å; I136-Y138 PolarHBondContact O-N 3.45Å; I136-Y138 VanDerWaalsContact O-N 3.14Å; Y138-K140 VanDerWaalsContact C-N 3.27Å; Y138-K140 PolarHBondContact O-N 2.7Å; Y138-Q141 WeakPolarHBondContact O-CB 3.22Å; Y138-Q141 PolarHBondContact O-N 3.13Å
139L98.9Very high98.7Very high0 Ų041.4 Ų41.40%020%0.196CC..Hα-helixtrans-59.3-38.8171.7-70.9168.4000111.5I94 D95 L97 C135 I136 Q141 S142 P145 I147 I190I94-L139 HydrophobicContact CG2-CD2 4.09Å; I94-L139 HydrophobicContact CG2-CG 4.48Å; D95-L139 VanDerWaalsContact C-CD2 3.46Å; D95-L139 WeakPolarHBondContact O-CD2 3.38Å; L97-L139 HydrophobicContact CB-CD1 4.33Å; C135-L139 HydrophobicContact CB-CD1 4.01Å; C135-L139 HydrophobicContact CB-CG 4.4Å; C135-L139 WeakPolarHBondContact O-CG 3.49Å; C135-L139 PolarHBondContact O-N 3.48Å; I136-L139 PolarHBondContact O-N 2.86Å; L139-Q141 PolarHBondContact O-N 3.29Å; L139-S142 WeakPolarHBondContact O-CB 3.48Å; L139-S142 PolarHBondContact O-N 2.84Å; L139-P145 HydrophobicContact CB-CB 3.97Å; L139-P145 HydrophobicContact CD2-CB 4.06Å; L139-P145 VanDerWaalsContact O-CB 3.22Å; L139-P145 WeakPolarHBondContact O-CB 3.33Å; L139-P145 WeakPolarHBondContact O-CG 3.4Å; L139-I147 HydrophobicContact CD1-CD1 3.82Å; L139-I147 HydrophobicContact CD1-CG1 3.54Å; L139-I190 HydrophobicContact CB-CD1 3.92Å; L139-I190 HydrophobicContact CB-CG1 4.41Å
140K98.7Very high98.7Very high86 Ų8637 Ų3737%0.37418%0.177SC..THydrogen-bonded Turntrans-56.5-20174.5-73.6-177.4-179.5-174.30114.1I136 Y138 Y188 I190I136-K140 HydrophobicContact CG2-CD 4.37Å; I136-K140 HydrophobicContact CG2-CG 4.39Å; I136-K140 WeakPolarHBondContact O-CG 3.47Å; I136-K140 PolarHBondContact O-N 2.99Å; Y138-K140 VanDerWaalsContact C-N 3.27Å; Y138-K140 PolarHBondContact O-N 2.7Å; K140-Y188 HydrophobicContact CD-CD1 3.69Å; K140-Y188 HydrophobicContact CD-CD2 4.4Å; K140-Y188 HydrophobicContact CD-CE1 3.88Å; K140-Y188 HydrophobicContact CD-CG 3.97Å; K140-Y188 HydrophobicContact CG-CD1 3.96Å; K140-Y188 HydrophobicContact CG-CG 3.91Å; K140-Y188 PolarHBondContact NZ-OH 3.09Å; K140-I190 HydrophobicContact CG-CD1 3.92Å
141Q98.4Very high98.7Very high150 Ų15036.6 Ų36.670%0.70118%0.175SC*.THydrogen-bonded Turntrans-97.4-10.2-179.7-57.1171.747.600112.3P137 Y138 L139P137-Q141 PolarHBondContact O-NE2 2.82Å; Y138-Q141 WeakPolarHBondContact O-CB 3.22Å; Y138-Q141 PolarHBondContact O-N 3.13Å; L139-Q141 PolarHBondContact O-N 3.29Å
142S98.4Very high98.7Very high21 Ų2136.6 Ų36.615%0.14718%0.175CC..SBendtrans-75.5152.7178.1178.40000111.6D95 L139 N144D95-S142 PolarHBondContact OD1-OG 3.34Å; L139-S142 WeakPolarHBondContact O-CB 3.48Å; L139-S142 PolarHBondContact O-N 2.84Å; S142-N144 PolarHBondContact OG-N 3.06Å
143K97.2Very high98.7Very high195 Ų19538 Ų3885%0.84818%0.184SC*.SBendtrans-76.5-25.1174.8-61-173.4179-179.30113.7
144N98.5Very high98.6Very high39 Ų3935.8 Ų35.821%0.20918%0.175CC..SBendtrans-145.766.4179.2-167.940.9000110.6S142 H146 R235 S237S142-N144 PolarHBondContact OG-N 3.06Å; N144-H146 PolarHBondContact ND2-NE2 3.06Å; N144-H146 PolarHBondContact O-CD2 3.4Å; N144-H146 VanDerWaalsContact O-CD2 3.27Å; N144-R235 PolarHBondContact ND2-O 3.31Å; N144-R235 PolarHBondContact OD1-O 2.71Å; N144-S237 WeakPolarHBondContact CA-OG 3.26Å; N144-S237 VanDerWaalsContact OD1-CB 3.27Å; N144-S237 WeakPolarHBondContact OD1-CB 3.39Å; N144-S237 PolarHBondContact OD1-N 3.27Å; N144-S237 PolarHBondContact OD1-OG 3.36Å
145P98.9Very high98.5Very high4 Ų435.2 Ų35.23%0.02617%0.173CC..  trans-73.6131.5-170.821.3-25.9000114D95 L139 I190 G191 S237D95-P145 VanDerWaalsContact O-CA 3.26Å; D95-P145 WeakPolarHBondContact O-CA 3.48Å; L139-P145 HydrophobicContact CB-CB 3.97Å; L139-P145 HydrophobicContact CD2-CB 4.06Å; L139-P145 VanDerWaalsContact O-CB 3.22Å; L139-P145 WeakPolarHBondContact O-CB 3.33Å; L139-P145 WeakPolarHBondContact O-CG 3.4Å; P145-I190 HydrophobicContact CB-CB 4.42Å; P145-I190 HydrophobicContact CB-CG1 3.99Å; P145-I190 HydrophobicContact CB-CG2 4.33Å; P145-I190 HydrophobicContact CG-CB 4.37Å; P145-I190 HydrophobicContact CG-CG1 3.83Å; P145-G191 PolarHBondContact O-N 3.47Å; P145-S237 WeakPolarHBondContact CD-OG 3.39Å; P145-S237 WeakPolarHBondContact O-CB 3.39Å
146H99Very high98.4Very high2 Ų241.8 Ų41.81%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-125.1142175.4-73.1-94.4000113D95 V96 L97 N144 G191 L233 R235D95-H146 PolarHBondContact O-N 3Å; V96-H146 CarbonylContact C-O 3.55Å; V96-H146 VanDerWaalsContact CA-O 3.29Å; V96-H146 WeakPolarHBondContact CA-O 3.37Å; V96-H146 HydrophobicContact CG1-CB 4.3Å; V96-H146 HydrophobicContact CG2-CB 4.25Å; L97-H146 PolarHBondContact N-O 2.95Å; N144-H146 PolarHBondContact ND2-NE2 3.06Å; N144-H146 PolarHBondContact O-CD2 3.4Å; N144-H146 VanDerWaalsContact O-CD2 3.27Å; H146-G191 CarbonylContact C-O 3.58Å; H146-G191 VanDerWaalsContact CA-O 3.31Å; H146-G191 WeakPolarHBondContact CA-O 3.15Å; H146-L233 HydrophobicContact CB-CD2 3.54Å; H146-L233 PolarHBondContact CD2-O 2.98Å; H146-L233 PolarHBondContact NE2-O 3.07Å; H146-R235 PolarHBondContact NE2-O 3.28Å
147I99Very high98.1Very high1 Ų145.7 Ų45.71%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-116.6117.3160.2-58.9179.6000107.1L97 I136 L139 L185 I190 G191 V192 N193L97-I147 HydrophobicContact CB-CG1 4.31Å; L97-I147 HydrophobicContact CD2-CG1 4.49Å; L97-I147 HydrophobicContact CD2-CG2 4.22Å; L97-I147 HydrophobicContact CG-CG2 4.49Å; L97-I147 CarbonylContact O-C 3.52Å; L97-I147 WeakPolarHBondContact O-CA 3.43Å; I136-I147 HydrophobicContact CG1-CD1 4.14Å; L139-I147 HydrophobicContact CD1-CD1 3.82Å; L139-I147 HydrophobicContact CD1-CG1 3.54Å; I147-L185 HydrophobicContact CD1-CD1 4.09Å; I147-I190 HydrophobicContact CD1-CG2 4.16Å; I147-I190 HydrophobicContact CG1-CG2 4.02Å; I147-G191 PolarHBondContact N-O 2.75Å; I147-V192 HydrophobicContact CB-CB 4.45Å; I147-V192 HydrophobicContact CB-CG1 4.1Å; I147-V192 HydrophobicContact CB-CG2 4.2Å; I147-V192 HydrophobicContact CD1-CG2 4.23Å; I147-V192 HydrophobicContact CG1-CG2 4.47Å; I147-V192 HydrophobicContact CG2-CG1 4.2Å; I147-V192 WeakPolarHBondContact O-CA 3.38Å; I147-N193 PolarHBondContact O-N 3.43Å
148L99Very high97.9Very high1 Ų146.2 Ų46.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-115112.2177.3-17163.4000110.4L97 I98 N99 I150 N193 L195 A229 I232 L233L97-L148 PolarHBondContact O-N 2.71Å; I98-L148 CarbonylContact C-O 3.42Å; I98-L148 WeakPolarHBondContact CA-O 3.29Å; N99-L148 PolarHBondContact N-O 3.2Å; L148-I150 HydrophobicContact CD2-CD1 4.47Å; L148-I150 HydrophobicContact CG-CD1 4.44Å; L148-N193 WeakPolarHBondContact CA-O 3.45Å; L148-N193 HydrophobicContact CD1-CB 4.14Å; L148-L195 HydrophobicContact CD1-CB 3.93Å; L148-L195 HydrophobicContact CD2-CB 4.36Å; L148-L195 HydrophobicContact CD2-CD2 4.3Å; L148-L195 HydrophobicContact CG-CB 4.32Å; L148-A229 HydrophobicContact CD2-CB 3.74Å; L148-I232 HydrophobicContact CD1-CD1 4.19Å; L148-I232 HydrophobicContact CD1-CG2 4.21Å; L148-L233 HydrophobicContact CB-CD2 4.42Å
149N98.9Very high97.6Very high0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-91.2124.2175.8-66.1-6.3000109.3N99 S151 M174 V178 N193 A194 L195N99-N149 WeakPolarHBondContact CB-OD1 3.47Å; N99-N149 PolarHBondContact ND2-OD1 3.27Å; N149-S151 PolarHBondContact O-N 3.02Å; N149-M174 PolarHBondContact ND2-O 3.05Å; N149-V178 HydrophobicContact CB-CG2 3.96Å; N149-N193 PolarHBondContact N-O 3.18Å; N149-A194 CarbonylContact O-C 3.28Å; N149-A194 WeakPolarHBondContact O-CA 3.4Å; N149-L195 PolarHBondContact O-N 3.26Å
150I98.9Very high97.4Very high7 Ų750 Ų504%0.03626%0.255CS..  trans-79.179.7172.9-52.7-53.2000107.6I25 I98 N99 N100 L148 K171 L195 M225I25-I150 HydrophobicContact CD1-CD1 4.04Å; I98-I150 HydrophobicContact CG2-CD1 4.26Å; I98-I150 HydrophobicContact CG2-CG1 4.22Å; N99-I150 PolarHBondContact O-N 3.23Å; N100-I150 HydrophobicContact CB-CB 4.44Å; N100-I150 HydrophobicContact CB-CG1 3.72Å; L148-I150 HydrophobicContact CD2-CD1 4.47Å; L148-I150 HydrophobicContact CG-CD1 4.44Å; I150-K171 PolarHBondContact O-NZ 3.46Å; I150-L195 CarbonylContact C-O 3.57Å; I150-L195 WeakPolarHBondContact CA-O 3.45Å; I150-L195 HydrophobicContact CD1-CB 4.36Å; I150-L195 HydrophobicContact CD1-CD2 4.45Å; I150-M225 HydrophobicContact CD1-CE 4.34Å; I150-M225 HydrophobicContact CG2-CE 3.83Å
151S98.8Very high97.2Very high1 Ų148.4 Ų48.41%0.00725%0.248CC..  trans-148.3154.8-172.2670000111.5N149 S175 A194 L195 W196N149-S151 PolarHBondContact O-N 3.02Å; S151-S175 WeakPolarHBondContact CB-OG 3.28Å; S151-S175 PolarHBondContact OG-N 3.44Å; S151-S175 PolarHBondContact OG-OG 3.42Å; S151-A194 WeakPolarHBondContact O-CB 3.38Å; S151-L195 PolarHBondContact N-O 3.47Å; S151-W196 VanDerWaalsContact CA-CE3 3.42Å
152P98.5Very high97Very high0 Ų048.4 Ų48.40%025%0.246CC..  trans-78.9164.1-170.232.2-37.8000113.4K171 Y172 S175 W196 F275P152-K171 HydrophobicContact CG-CB 4.36Å; P152-Y172 HydrophobicContact CB-CE1 4.5Å; P152-Y172 HydrophobicContact CG-CD1 3.87Å; P152-Y172 HydrophobicContact CG-CE1 3.67Å; P152-S175 WeakPolarHBondContact O-CB 3.33Å; P152-S175 PolarHBondContact O-OG 3.46Å; P152-W196 HydrophobicContact CB-CD2 3.74Å; P152-W196 HydrophobicContact CB-CE3 4.31Å; P152-W196 HydrophobicContact CB-CG 3.87Å; P152-W196 HydrophobicContact CB-CZ2 4.41Å; P152-W196 HydrophobicContact CG-CD2 4.48Å; P152-F275 HydrophobicContact CB-CB 3.74Å; P152-F275 HydrophobicContact CB-CD2 3.59Å; P152-F275 HydrophobicContact CB-CG 3.95Å; P152-F275 HydrophobicContact CG-CB 4.29Å; P152-F275 HydrophobicContact CG-CD2 3.53Å; P152-F275 HydrophobicContact CG-CE2 4.06Å; P152-F275 HydrophobicContact CG-CG 4.01Å
153P98.2Very high96.5Very high29 Ų2950.6 Ų50.619%0.18826%0.256CS..  trans-53.9148.9157.8-20.932.2000112N155 F244 L276P153-N155 PolarHBondContact O-N 2.92Å; P153-F244 HydrophobicContact CB-CB 4.02Å; P153-F244 HydrophobicContact CG-CB 4.04Å; P153-L276 HydrophobicContact CG-CD2 3.97Å
154L97.8Very high96.4Very high46 Ų4641.7 Ų41.724%0.24122%0.217CC..  trans-79.982.4179.2-68.8168.3000111Y172 M176 L179 F244L154-Y172 HydrophobicContact CD2-CD2 3.62Å; L154-Y172 HydrophobicContact CD2-CE2 4.3Å; L154-Y172 HydrophobicContact CD2-CG 3.75Å; L154-M176 HydrophobicContact CD1-CG 4.39Å; L154-M176 HydrophobicContact CD2-CE 4.46Å; L154-M176 HydrophobicContact CD2-CG 4.23Å; L154-L179 HydrophobicContact CD1-CD1 3.31Å; L154-L179 HydrophobicContact CD1-CG 3.91Å; L154-F244 HydrophobicContact CD1-CZ 4.22Å
155N95.9Very high96.3Very high22 Ų2242 Ų4212%0.11822%0.22CC..  trans-89.5103178.3-172.1-18.2000111.5P153 K157 W160 Y172 F275 D277P153-N155 PolarHBondContact O-N 2.92Å; N155-K157 PolarHBondContact O-N 3.04Å; N155-K157 VanDerWaalsContact O-N 3.15Å; N155-K157 WeakPolarHBondContact OD1-CB 3.43Å; N155-K157 VanDerWaalsContact OD1-CG 3.28Å; N155-K157 WeakPolarHBondContact OD1-CG 3.32Å; N155-K157 PolarHBondContact OD1-N 2.68Å; N155-W160 VanDerWaalsContact CG-CD1 3.48Å; N155-W160 PolarHBondContact ND2-NE1 2.82Å; N155-Y172 WeakPolarHBondContact CB-OH 3.44Å; N155-Y172 PolarHBondContact N-OH 3.35Å; N155-Y172 VanDerWaalsContact N-OH 3.15Å; N155-Y172 PolarHBondContact O-OH 2.93Å; N155-F275 WeakPolarHBondContact CB-O 3.25Å; N155-F275 PolarHBondContact ND2-O 2.85Å; N155-F275 VanDerWaalsContact ND2-O 3.12Å; N155-D277 PolarHBondContact ND2-OD1 3.2Å
156M96.3Very high96.3Very high137 Ų13742 Ų4268%0.67522%0.221SC*.  trans-79.411.2-174.4-61.7-56-65.800115A158 F161 Y172M156-A158 PolarHBondContact O-N 3.49Å; M156-F161 HydrophobicContact CE-CZ 4.19Å; M156-F161 HydrophobicContact SD-CZ 4.09Å; M156-Y172 HydrophobicContact SD-CE2 4.44Å
157K93.9Very high96.2Very high103 Ų10342.6 Ų42.645%0.44822%0.223SC..  trans-68129.6174.7-70.1176.9-176.7175.10111.2N155 V159 W160 F161 D277N155-K157 PolarHBondContact O-N 3.04Å; N155-K157 VanDerWaalsContact O-N 3.15Å; N155-K157 WeakPolarHBondContact OD1-CB 3.43Å; N155-K157 VanDerWaalsContact OD1-CG 3.28Å; N155-K157 WeakPolarHBondContact OD1-CG 3.32Å; N155-K157 PolarHBondContact OD1-N 2.68Å; K157-V159 HydrophobicContact CB-CG1 4.07Å; K157-V159 PolarHBondContact O-N 3.44Å; K157-W160 PolarHBondContact O-N 2.94Å; K157-F161 WeakPolarHBondContact O-CD2 3.44Å; K157-D277 WeakPolarHBondContact CD-OD1 3.32Å; K157-D277 WeakPolarHBondContact CE-OD2 3.24Å; K157-D277 IonicContact NZ-OD1 2.71Å; K157-D277 PolarHBondContact NZ-OD1 2.84Å; K157-D277 IonicContact NZ-OD2 3.24Å; K157-D277 PolarHBondContact NZ-OD2 3.36Å
158A94.3Very high96.2Very high77 Ų7742.5 Ų42.564%0.63622%0.223SC*.THydrogen-bonded Turntrans-55.7-24.6-176.700000114.8M156 W160 F161 K162M156-A158 PolarHBondContact O-N 3.49Å; A158-W160 PolarHBondContact O-N 3.17Å; A158-F161 PolarHBondContact O-N 3.24Å; A158-K162 PolarHBondContact O-N 3.04Å
159V92.3Very high96.2Very high86 Ų8646.8 Ų46.852%0.52124%0.244SC..Hα-helixtrans-54.4-37.4176.367.90000112.2K157 F161K157-V159 HydrophobicContact CB-CG1 4.07Å; K157-V159 PolarHBondContact O-N 3.44Å; V159-F161 VanDerWaalsContact C-N 3.29Å; V159-F161 PolarHBondContact O-N 3.18Å
160W94Very high96.2Very high44 Ų4446.8 Ų46.817%0.16724%0.244CC..Hα-helixtrans-78.3-11.7-179.2-62.8125.9000114.4N155 K157 A158 H164 T168 F274 F275 L276N155-W160 VanDerWaalsContact CG-CD1 3.48Å; N155-W160 PolarHBondContact ND2-NE1 2.82Å; K157-W160 PolarHBondContact O-N 2.94Å; A158-W160 PolarHBondContact O-N 3.17Å; W160-H164 PolarHBondContact O-CE1 2.86Å; W160-T168 PolarHBondContact O-OG1 2.95Å; W160-F274 HydrophobicContact CZ3-CB 4.45Å; W160-F274 HydrophobicContact CZ3-CD1 4.18Å; W160-F275 HydrophobicContact CB-CD1 3.9Å; W160-F275 HydrophobicContact CB-CE1 4.3Å; W160-F275 HydrophobicContact CD2-CD1 4.13Å; W160-F275 VanDerWaalsContact CE2-CA 3.49Å; W160-F275 HydrophobicContact CE3-CD1 4.17Å; W160-F275 HydrophobicContact CG-CD1 4.01Å; W160-L276 VanDerWaalsContact CZ2-O 3.24Å; W160-L276 WeakPolarHBondContact CZ2-O 3.15Å
161F96.3Very high96.1Very high51 Ų5146.6 Ų46.622%0.22424%0.243CC..Hα-helixtrans-101.3-30.5178.5-62.8-97.3000111.2M156 K157 A158 V159 N163 V165 T168 Y172M156-F161 HydrophobicContact CE-CZ 4.19Å; M156-F161 HydrophobicContact SD-CZ 4.09Å; K157-F161 WeakPolarHBondContact O-CD2 3.44Å; A158-F161 PolarHBondContact O-N 3.24Å; V159-F161 VanDerWaalsContact C-N 3.29Å; V159-F161 PolarHBondContact O-N 3.18Å; F161-N163 PolarHBondContact O-N 2.66Å; F161-V165 HydrophobicContact CD1-CG2 4.46Å; F161-V165 WeakPolarHBondContact O-CA 3.3Å; F161-V165 WeakPolarHBondContact O-CB 3.41Å; F161-V165 PolarHBondContact O-N 2.9Å; F161-T168 HydrophobicContact CD1-CG2 3.78Å; F161-T168 HydrophobicContact CE1-CG2 3.67Å; F161-T168 HydrophobicContact CE2-CG2 4.43Å; F161-T168 HydrophobicContact CG-CG2 4.23Å; F161-T168 HydrophobicContact CZ-CG2 4.02Å; F161-Y172 HydrophobicContact CE1-CD2 4.4Å; F161-Y172 HydrophobicContact CE1-CE2 4.45Å; F161-Y172 HydrophobicContact CE2-CE2 4.26Å; F161-Y172 AromaticContact CZ-CD2 3.96Å; F161-Y172 HydrophobicContact CZ-CD2 3.96Å; F161-Y172 AromaticContact CZ-CE2 3.65Å; F161-Y172 HydrophobicContact CZ-CE2 3.65Å
162K92.9Very high96.1Very high151 Ų15146.8 Ų46.866%0.65724%0.243SC*.Hα-helixtrans-53.7-44.6-169-175.7-177.3173.4179.40114.6A158A158-K162 PolarHBondContact O-N 3.04Å
163N87.7Confident96.1Very high67 Ų6747.6 Ų47.636%0.35825%0.25SC..THydrogen-bonded Turntrans-100.4-19-167.5-65.4-21.5000114.3T107 G108 F161T107-N163 CarbonylContact C-O 3.58Å; T107-N163 VanDerWaalsContact C-O 3.28Å; G108-N163 PolarHBondContact N-O 2.95Å; F161-N163 PolarHBondContact O-N 2.66Å
164H94.6Very high96.2Very high8 Ų846.2 Ų46.24%0.03724%0.241CC..THydrogen-bonded Turntrans-154.546.3-171.550.264.6000112.1L106 T107 W160 A166 Y167 T168 F275L106-H164 HydrophobicContact CB-CB 4.49Å; L106-H164 HydrophobicContact CD2-CB 3.96Å; T107-H164 WeakPolarHBondContact O-CA 3.33Å; W160-H164 PolarHBondContact O-CE1 2.86Å; H164-A166 PolarHBondContact O-N 2.9Å; H164-A166 VanDerWaalsContact O-N 3.08Å; H164-Y167 PolarHBondContact O-N 3.27Å; H164-T168 PolarHBondContact CE1-OG1 2.91Å; H164-T168 PolarHBondContact ND1-OG1 3.02Å; H164-T168 PolarHBondContact O-N 3.38Å; H164-T168 PolarHBondContact O-OG1 3.31Å; H164-F275 AromaticContact CE1-CE1 3.94Å
165V97.4Very high96.2Very high44 Ų4444 Ų4427%0.26723%0.229SC..Hα-helixtrans-49.8-40.1-173.168.60000113.6F161 Y167 T168 M169F161-V165 HydrophobicContact CD1-CG2 4.46Å; F161-V165 WeakPolarHBondContact O-CA 3.3Å; F161-V165 WeakPolarHBondContact O-CB 3.41Å; F161-V165 PolarHBondContact O-N 2.9Å; V165-Y167 PolarHBondContact O-N 3.08Å; V165-T168 PolarHBondContact O-N 2.66Å; V165-M169 HydrophobicContact CG2-CG 4.32Å; V165-M169 HydrophobicContact CG2-SD 4.1Å; V165-M169 WeakPolarHBondContact O-CB 3.49Å; V165-M169 VanDerWaalsContact O-CG 3.23Å; V165-M169 WeakPolarHBondContact O-CG 3.42Å; V165-M169 PolarHBondContact O-N 3.07Å
166A98.2Very high96.4Very high4 Ų448 Ų483%0.03325%0.249CC..Hα-helixtrans-63.4-40.6179.400000112.8T112 F117 M120 H164 A170T112-A166 HydrophobicContact CG2-CB 3.97Å; F117-A166 HydrophobicContact CD2-CB 3.64Å; F117-A166 HydrophobicContact CE2-CB 4.09Å; M120-A166 HydrophobicContact CE-CB 3.55Å; H164-A166 PolarHBondContact O-N 2.9Å; H164-A166 VanDerWaalsContact O-N 3.08Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.48Å; A166-A170 VanDerWaalsContact O-N 3.14Å
167Y97.7Very high96.5Very high15 Ų1542.2 Ų42.26%0.05922%0.222CC..Hα-helixtrans-69.8-42.8175.5174.7-115.9000111.2I104 L106 M120 H164 V165 M169 A170 K171 F275I104-Y167 HydrophobicContact CB-CD2 4.06Å; I104-Y167 HydrophobicContact CB-CE2 3.73Å; I104-Y167 HydrophobicContact CD1-CD1 4.5Å; I104-Y167 HydrophobicContact CD1-CD2 4.48Å; I104-Y167 HydrophobicContact CD1-CE1 3.95Å; I104-Y167 HydrophobicContact CD1-CE2 3.91Å; I104-Y167 HydrophobicContact CG1-CD1 4.44Å; I104-Y167 HydrophobicContact CG1-CD2 3.86Å; I104-Y167 HydrophobicContact CG1-CE1 4.29Å; I104-Y167 HydrophobicContact CG1-CE2 3.66Å; I104-Y167 HydrophobicContact CG1-CG 4.24Å; L106-Y167 HydrophobicContact CD2-CD1 3.59Å; L106-Y167 HydrophobicContact CD2-CE1 4.09Å; L106-Y167 HydrophobicContact CD2-CG 4.16Å; M120-Y167 HydrophobicContact SD-CD2 3.97Å; M120-Y167 HydrophobicContact SD-CG 4.35Å; H164-Y167 PolarHBondContact O-N 3.27Å; V165-Y167 PolarHBondContact O-N 3.08Å; Y167-M169 PolarHBondContact O-N 3.14Å; Y167-A170 PolarHBondContact O-N 3.12Å; Y167-K171 HydrophobicContact CD2-CG 4.02Å; Y167-K171 HydrophobicContact CE1-CG 4.11Å; Y167-K171 HydrophobicContact CE2-CD 3.85Å; Y167-K171 HydrophobicContact CE2-CG 3.4Å; Y167-K171 VanDerWaalsContact CZ-CG 3.44Å; Y167-K171 PolarHBondContact O-N 2.87Å; Y167-F275 HydrophobicContact CD1-CZ 4.03Å; Y167-F275 AromaticContact CE1-CE2 3.95Å; Y167-F275 HydrophobicContact CE1-CE2 3.95Å; Y167-F275 AromaticContact CE1-CZ 3.75Å; Y167-F275 HydrophobicContact CE1-CZ 3.75Å
168T98.3Very high96.7Very high0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-59-48.7177.4-53.50000110.8W160 F161 H164 V165 A170 K171 Y172 F275W160-T168 PolarHBondContact O-OG1 2.95Å; F161-T168 HydrophobicContact CD1-CG2 3.78Å; F161-T168 HydrophobicContact CE1-CG2 3.67Å; F161-T168 HydrophobicContact CE2-CG2 4.43Å; F161-T168 HydrophobicContact CG-CG2 4.23Å; F161-T168 HydrophobicContact CZ-CG2 4.02Å; H164-T168 PolarHBondContact CE1-OG1 2.91Å; H164-T168 PolarHBondContact ND1-OG1 3.02Å; H164-T168 PolarHBondContact O-N 3.38Å; H164-T168 PolarHBondContact O-OG1 3.31Å; V165-T168 PolarHBondContact O-N 2.66Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 3.21Å; T168-K171 PolarHBondContact O-N 3.08Å; T168-Y172 HydrophobicContact CG2-CD1 4.02Å; T168-Y172 HydrophobicContact CG2-CD2 4.28Å; T168-Y172 HydrophobicContact CG2-CE1 3.95Å; T168-Y172 HydrophobicContact CG2-CE2 4.2Å; T168-Y172 HydrophobicContact CG2-CG 4.2Å; T168-Y172 VanDerWaalsContact O-CB 3.23Å; T168-Y172 WeakPolarHBondContact O-CB 3.22Å; T168-Y172 WeakPolarHBondContact O-CD1 3.49Å; T168-Y172 PolarHBondContact O-N 2.65Å; T168-F275 HydrophobicContact CG2-CE1 3.85Å
169M98.6Very high96.9Very high90 Ų9038 Ų3844%0.44319%0.192SC..Hα-helixtrans-54.7-48.9174-72169.967.400111.6F117 V165 Y167 K171 Y172 A173F117-M169 HydrophobicContact CZ-CE 4.38Å; V165-M169 HydrophobicContact CG2-CG 4.32Å; V165-M169 HydrophobicContact CG2-SD 4.1Å; V165-M169 WeakPolarHBondContact O-CB 3.49Å; V165-M169 VanDerWaalsContact O-CG 3.23Å; V165-M169 WeakPolarHBondContact O-CG 3.42Å; V165-M169 PolarHBondContact O-N 3.07Å; Y167-M169 PolarHBondContact O-N 3.14Å; M169-K171 PolarHBondContact O-N 3Å; M169-Y172 PolarHBondContact O-N 3.21Å; M169-A173 WeakPolarHBondContact O-CB 3.19Å; M169-A173 PolarHBondContact O-N 3.23Å
170A98.7Very high97.2Very high0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-64.2-40.4-176.800000112.9M120 N124 A166 Y167 T168M120-A170 HydrophobicContact CB-CB 3.87Å; N124-A170 HydrophobicContact CB-CB 4.01Å; N124-A170 VanDerWaalsContact CB-O 3.3Å; N124-A170 WeakPolarHBondContact CB-O 3.42Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.48Å; A166-A170 VanDerWaalsContact O-N 3.14Å; Y167-A170 PolarHBondContact O-N 3.12Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 3.21Å
171K98.5Very high97.4Very high4 Ų434.1 Ų34.12%0.01718%0.182CC..Hα-helixtrans-74.4-38.2175.4-71.1-59.7-62.2177.70112.5S102 I150 P152 Y167 T168 M169 A173 M174 S175 W196S102-K171 PolarHBondContact OG-NZ 3Å; S102-K171 VanDerWaalsContact OG-NZ 3.13Å; I150-K171 PolarHBondContact O-NZ 3.46Å; P152-K171 HydrophobicContact CG-CB 4.36Å; Y167-K171 HydrophobicContact CD2-CG 4.02Å; Y167-K171 HydrophobicContact CE1-CG 4.11Å; Y167-K171 HydrophobicContact CE2-CD 3.85Å; Y167-K171 HydrophobicContact CE2-CG 3.4Å; Y167-K171 VanDerWaalsContact CZ-CG 3.44Å; Y167-K171 PolarHBondContact O-N 2.87Å; T168-K171 PolarHBondContact O-N 3.08Å; M169-K171 PolarHBondContact O-N 3Å; K171-A173 VanDerWaalsContact C-N 3.26Å; K171-A173 PolarHBondContact O-N 3.3Å; K171-M174 HydrophobicContact CD-SD 4Å; K171-M174 PolarHBondContact NZ-SD 3.21Å; K171-M174 WeakPolarHBondContact O-CB 3.38Å; K171-M174 PolarHBondContact O-N 3.31Å; K171-S175 PolarHBondContact O-N 3.13Å; K171-W196 VanDerWaalsContact CE-CH2 3.49Å; K171-W196 VanDerWaalsContact CE-CZ3 3.4Å
172Y98.8Very high97.6Very high4 Ų431.8 Ų31.82%0.01617%0.172CC..Hα-helixtrans-69.2-29.2179.6-80.729.2000111P152 L154 N155 M156 F161 T168 M169 M174 S175 M176 F275P152-Y172 HydrophobicContact CB-CE1 4.5Å; P152-Y172 HydrophobicContact CG-CD1 3.87Å; P152-Y172 HydrophobicContact CG-CE1 3.67Å; L154-Y172 HydrophobicContact CD2-CD2 3.62Å; L154-Y172 HydrophobicContact CD2-CE2 4.3Å; L154-Y172 HydrophobicContact CD2-CG 3.75Å; N155-Y172 WeakPolarHBondContact CB-OH 3.44Å; N155-Y172 PolarHBondContact N-OH 3.35Å; N155-Y172 VanDerWaalsContact N-OH 3.15Å; N155-Y172 PolarHBondContact O-OH 2.93Å; M156-Y172 HydrophobicContact SD-CE2 4.44Å; F161-Y172 HydrophobicContact CE1-CD2 4.4Å; F161-Y172 HydrophobicContact CE1-CE2 4.45Å; F161-Y172 HydrophobicContact CE2-CE2 4.26Å; F161-Y172 AromaticContact CZ-CD2 3.96Å; F161-Y172 HydrophobicContact CZ-CD2 3.96Å; F161-Y172 AromaticContact CZ-CE2 3.65Å; F161-Y172 HydrophobicContact CZ-CE2 3.65Å; T168-Y172 HydrophobicContact CG2-CD1 4.02Å; T168-Y172 HydrophobicContact CG2-CD2 4.28Å; T168-Y172 HydrophobicContact CG2-CE1 3.95Å; T168-Y172 HydrophobicContact CG2-CE2 4.2Å; T168-Y172 HydrophobicContact CG2-CG 4.2Å; T168-Y172 VanDerWaalsContact O-CB 3.23Å; T168-Y172 WeakPolarHBondContact O-CB 3.22Å; T168-Y172 WeakPolarHBondContact O-CD1 3.49Å; T168-Y172 PolarHBondContact O-N 2.65Å; M169-Y172 PolarHBondContact O-N 3.21Å; Y172-M174 VanDerWaalsContact C-N 3.31Å; Y172-M174 PolarHBondContact O-N 3.11Å; Y172-S175 CarbonylContact O-C 3.52Å; Y172-S175 WeakPolarHBondContact O-CA 3.25Å; Y172-S175 WeakPolarHBondContact O-CB 3.15Å; Y172-S175 PolarHBondContact O-N 2.87Å; Y172-S175 VanDerWaalsContact O-N 3.09Å; Y172-M176 VanDerWaalsContact O-CG 3.3Å; Y172-M176 WeakPolarHBondContact O-CG 3.16Å; Y172-M176 PolarHBondContact O-N 3.27Å; Y172-F275 HydrophobicContact CE1-CB 4.32Å; Y172-F275 AromaticContact CE1-CD1 3.65Å; Y172-F275 HydrophobicContact CE1-CD1 3.65Å; Y172-F275 HydrophobicContact CE1-CD2 4.39Å; Y172-F275 AromaticContact CE1-CE1 4Å; Y172-F275 HydrophobicContact CE1-CE1 4Å; Y172-F275 AromaticContact CE1-CG 3.85Å; Y172-F275 HydrophobicContact CE1-CG 3.85Å; Y172-F275 HydrophobicContact CE1-CZ 4.48Å
173A98.8Very high97.8Very high17 Ų1729.9 Ų29.914%0.1417%0.165CC..Hα-helixtrans-60.9-37.1171.600000113C125 M169 K171 S175 M176 C177C125-A173 HydrophobicContact CB-CB 3.59Å; C125-A173 VanDerWaalsContact SG-CB 3.55Å; M169-A173 WeakPolarHBondContact O-CB 3.19Å; M169-A173 PolarHBondContact O-N 3.23Å; K171-A173 VanDerWaalsContact C-N 3.26Å; K171-A173 PolarHBondContact O-N 3.3Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.32Å; A173-M176 PolarHBondContact O-N 2.74Å; A173-C177 PolarHBondContact O-N 3Å; A173-C177 PolarHBondContact O-SG 2.92Å
174M98.9Very high98.4Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-62.4-40.8172.4-59.7174.265.500111.2N99 N124 T128 N149 K171 Y172 C177 V178N99-M174 HydrophobicContact CB-CE 4.48Å; N99-M174 WeakPolarHBondContact O-CE 3.49Å; N124-M174 HydrophobicContact CB-CG 4.17Å; N124-M174 HydrophobicContact CB-SD 3.84Å; N124-M174 WeakPolarHBondContact O-CG 3.22Å; T128-M174 HydrophobicContact CG2-CB 4.34Å; T128-M174 HydrophobicContact CG2-CG 4.37Å; T128-M174 WeakPolarHBondContact OG1-CG 3.27Å; N149-M174 PolarHBondContact ND2-O 3.05Å; K171-M174 HydrophobicContact CD-SD 4Å; K171-M174 PolarHBondContact NZ-SD 3.21Å; K171-M174 WeakPolarHBondContact O-CB 3.38Å; K171-M174 PolarHBondContact O-N 3.31Å; Y172-M174 VanDerWaalsContact C-N 3.31Å; Y172-M174 PolarHBondContact O-N 3.11Å; M174-C177 WeakPolarHBondContact O-CB 3.34Å; M174-C177 PolarHBondContact O-N 3.22Å; M174-V178 PolarHBondContact O-N 3.2Å
175S98.9Very high98.6Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-71.4-33177.3-66.40000112.7S151 P152 K171 Y172 A173 C177 V178 L179 F244S151-S175 WeakPolarHBondContact CB-OG 3.28Å; S151-S175 PolarHBondContact OG-N 3.44Å; S151-S175 PolarHBondContact OG-OG 3.42Å; P152-S175 WeakPolarHBondContact O-CB 3.33Å; P152-S175 PolarHBondContact O-OG 3.46Å; K171-S175 PolarHBondContact O-N 3.13Å; Y172-S175 CarbonylContact O-C 3.52Å; Y172-S175 WeakPolarHBondContact O-CA 3.25Å; Y172-S175 WeakPolarHBondContact O-CB 3.15Å; Y172-S175 PolarHBondContact O-N 2.87Å; Y172-S175 VanDerWaalsContact O-N 3.09Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.32Å; S175-C177 VanDerWaalsContact C-N 3.29Å; S175-C177 PolarHBondContact O-N 3.43Å; S175-V178 WeakPolarHBondContact O-CA 3.25Å; S175-V178 VanDerWaalsContact O-CB 3.27Å; S175-V178 WeakPolarHBondContact O-CB 3.36Å; S175-V178 PolarHBondContact O-N 3.34Å; S175-L179 PolarHBondContact O-N 2.82Å; S175-F244 WeakPolarHBondContact O-CZ 3.2Å
176M98.9Very high98.6Very high106 Ų10635.4 Ų35.452%0.52218%0.181SC..Hα-helixtrans-66.9-31.5171.7-70.8171.1-178.200111.6L154 Y172 A173 V178 L179 G180L154-M176 HydrophobicContact CD1-CG 4.39Å; L154-M176 HydrophobicContact CD2-CE 4.46Å; L154-M176 HydrophobicContact CD2-CG 4.23Å; Y172-M176 VanDerWaalsContact O-CG 3.3Å; Y172-M176 WeakPolarHBondContact O-CG 3.16Å; Y172-M176 PolarHBondContact O-N 3.27Å; A173-M176 PolarHBondContact O-N 2.74Å; M176-V178 PolarHBondContact O-N 3.47Å; M176-L179 PolarHBondContact O-N 3.22Å; M176-G180 PolarHBondContact O-N 3.01Å
177C98.8Very high98.6Very high16 Ų1640.4 Ų40.411%0.10821%0.214CC..Hα-helixtrans-60.7-34.7169.1-630000111.3T128 A173 M174 S175 M181T128-C177 HydrophobicContact CG2-CB 4.39Å; A173-C177 PolarHBondContact O-N 3Å; A173-C177 PolarHBondContact O-SG 2.92Å; M174-C177 WeakPolarHBondContact O-CB 3.34Å; M174-C177 PolarHBondContact O-N 3.22Å; S175-C177 VanDerWaalsContact C-N 3.29Å; S175-C177 PolarHBondContact O-N 3.43Å; C177-M181 HydrophobicContact CB-CE 4.14Å; C177-M181 HydrophobicContact CB-SD 4.09Å; C177-M181 WeakPolarHBondContact O-CB 3.33Å; C177-M181 VanDerWaalsContact O-CG 3.25Å; C177-M181 WeakPolarHBondContact O-CG 3.5Å; C177-M181 PolarHBondContact O-N 3.33Å
178V98.9Very high98.6Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-63.7-48.8174.6179.40000111N149 M174 S175 M176 G180 S182 V192 A194 F244N149-V178 HydrophobicContact CB-CG2 3.96Å; M174-V178 PolarHBondContact O-N 3.2Å; S175-V178 WeakPolarHBondContact O-CA 3.25Å; S175-V178 VanDerWaalsContact O-CB 3.27Å; S175-V178 WeakPolarHBondContact O-CB 3.36Å; S175-V178 PolarHBondContact O-N 3.34Å; M176-V178 PolarHBondContact O-N 3.47Å; V178-G180 PolarHBondContact O-N 3.29Å; V178-S182 WeakPolarHBondContact O-CB 3.28Å; V178-S182 PolarHBondContact O-N 2.8Å; V178-S182 PolarHBondContact O-OG 2.63Å; V178-V192 HydrophobicContact CB-CG1 4.42Å; V178-V192 HydrophobicContact CG1-CG1 4.4Å; V178-V192 HydrophobicContact CG2-CG1 4.35Å; V178-A194 HydrophobicContact CG2-CB 3.9Å; V178-F244 HydrophobicContact CB-CE1 3.99Å; V178-F244 HydrophobicContact CB-CZ 3.92Å; V178-F244 HydrophobicContact CG1-CE1 4.22Å; V178-F244 HydrophobicContact CG1-CE2 4.49Å; V178-F244 HydrophobicContact CG1-CZ 3.98Å; V178-F244 HydrophobicContact CG2-CE1 4.44Å
179L98.2Very high98.6Very high90 Ų9046 Ų4647%0.47124%0.239SC..Hα-helixtrans-57.2-49.6177.1-73.4-176.9000112.2L154 S175 M176 S182 F244L154-L179 HydrophobicContact CD1-CD1 3.31Å; L154-L179 HydrophobicContact CD1-CG 3.91Å; S175-L179 PolarHBondContact O-N 2.82Å; M176-L179 PolarHBondContact O-N 3.22Å; L179-S182 PolarHBondContact O-OG 2.82Å; L179-F244 HydrophobicContact CD2-CE2 3.72Å; L179-F244 HydrophobicContact CD2-CZ 3.97Å; L179-F244 HydrophobicContact CG-CE2 4.19Å; L179-F244 HydrophobicContact CG-CZ 3.92Å
180G98.7Very high98.7Very high41 Ų4141.7 Ų41.742%0.42322%0.219SC..Hα-helixtrans-69.7-52.8-177.500000112.9M176 V178 S182 E183 E184M176-G180 PolarHBondContact O-N 3.01Å; V178-G180 PolarHBondContact O-N 3.29Å; G180-S182 PolarHBondContact O-N 2.89Å; G180-E183 PolarHBondContact O-N 3Å; G180-E184 WeakPolarHBondContact O-CB 3.42Å; G180-E184 PolarHBondContact O-N 2.87Å
181M98.9Very high98.7Very high8 Ų841.7 Ų41.74%0.03922%0.219CC..Hα-helixtrans-74-26.3-171.9-62.1174.6178.900112.8F129 C177 E183 L185 V192F129-M181 HydrophobicContact CD2-CE 3.61Å; F129-M181 HydrophobicContact CE2-CE 3.88Å; F129-M181 HydrophobicContact CG-CE 4.31Å; C177-M181 HydrophobicContact CB-CE 4.14Å; C177-M181 HydrophobicContact CB-SD 4.09Å; C177-M181 WeakPolarHBondContact O-CB 3.33Å; C177-M181 VanDerWaalsContact O-CG 3.25Å; C177-M181 WeakPolarHBondContact O-CG 3.5Å; C177-M181 PolarHBondContact O-N 3.33Å; M181-E183 VanDerWaalsContact C-N 3.3Å; M181-E183 PolarHBondContact O-N 3.03Å; M181-L185 HydrophobicContact CB-CD1 4.08Å; M181-L185 HydrophobicContact CB-CG 4.41Å; M181-L185 WeakPolarHBondContact O-CB 3.4Å; M181-L185 VanDerWaalsContact O-CG 3.22Å; M181-L185 WeakPolarHBondContact O-CG 3.36Å; M181-L185 PolarHBondContact O-N 3.12Å; M181-V192 HydrophobicContact CB-CG1 4.13Å; M181-V192 HydrophobicContact CB-CG2 4.08Å
182S98.7Very high98.7Very high3 Ų341.5 Ų41.52%0.02122%0.218CC..Hα-helixtrans-62.5-38.1175.756.40000112.3V178 L179 G180 R186 T241V178-S182 WeakPolarHBondContact O-CB 3.28Å; V178-S182 PolarHBondContact O-N 2.8Å; V178-S182 PolarHBondContact O-OG 2.63Å; L179-S182 PolarHBondContact O-OG 2.82Å; G180-S182 PolarHBondContact O-N 2.89Å; S182-R186 PolarHBondContact O-N 3.12Å; S182-T241 VanDerWaalsContact CB-OG1 3.3Å; S182-T241 WeakPolarHBondContact CB-OG1 3.34Å
183E98.6Very high98.7Very high110 Ų11041.4 Ų41.451%0.51422%0.218SC..Hα-helixtrans-80.9-44.3175.2-64.7-53144.800112.4G180 M181 L185 R186G180-E183 PolarHBondContact O-N 3Å; M181-E183 VanDerWaalsContact C-N 3.3Å; M181-E183 PolarHBondContact O-N 3.03Å; E183-L185 PolarHBondContact O-N 3.12Å; E183-R186 WeakPolarHBondContact O-CB 3.38Å; E183-R186 PolarHBondContact O-N 2.95Å; E183-R186 IonicContact OE1-CZ 2.91Å; E183-R186 IonicContact OE1-NE 2.77Å; E183-R186 IonicContact OE1-NH2 2.7Å; E183-R186 PolarHBondContact OE1-NH2 3.22Å; E183-R186 IonicContact OE2-CZ 2.78Å; E183-R186 IonicContact OE2-NE 2.9Å; E183-R186 PolarHBondContact OE2-NE 2.99Å; E183-R186 IonicContact OE2-NH2 3.22Å; E183-R186 PolarHBondContact OE2-NH2 2.94Å
184E98.8Very high98.7Very high125 Ų12540.7 Ų40.758%0.58421%0.211SC*.Hα-helixtrans-56.6-40.1178.1-174.8-169.1162.600111.8G180G180-E184 WeakPolarHBondContact O-CB 3.42Å; G180-E184 PolarHBondContact O-N 2.87Å
185L98.8Very high98.7Very high2 Ų240.7 Ų40.71%0.0121%0.211CC..THydrogen-bonded Turntrans-97.20.3-172.9-53.1177.5000114I136 I147 M181 E183 P187 Y188 G189 I190 V192I136-L185 HydrophobicContact CD1-CD1 3.77Å; I136-L185 HydrophobicContact CD1-CD2 4.19Å; I136-L185 HydrophobicContact CG1-CD1 3.85Å; I136-L185 HydrophobicContact CG1-CD2 4.46Å; I136-L185 HydrophobicContact CG2-CD2 4.13Å; I147-L185 HydrophobicContact CD1-CD1 4.09Å; M181-L185 HydrophobicContact CB-CD1 4.08Å; M181-L185 HydrophobicContact CB-CG 4.41Å; M181-L185 WeakPolarHBondContact O-CB 3.4Å; M181-L185 VanDerWaalsContact O-CG 3.22Å; M181-L185 WeakPolarHBondContact O-CG 3.36Å; M181-L185 PolarHBondContact O-N 3.12Å; E183-L185 PolarHBondContact O-N 3.12Å; L185-P187 VanDerWaalsContact C-CD 3.43Å; L185-P187 VanDerWaalsContact C-N 3.34Å; L185-Y188 HydrophobicContact CD2-CD2 4.19Å; L185-Y188 PolarHBondContact O-N 2.55Å; L185-G189 PolarHBondContact O-N 3.15Å; L185-I190 HydrophobicContact CB-CB 3.92Å; L185-I190 HydrophobicContact CB-CD1 4.27Å; L185-I190 HydrophobicContact CB-CG1 4.46Å; L185-I190 HydrophobicContact CD1-CB 4.29Å; L185-I190 HydrophobicContact CD1-CD1 4.11Å; L185-I190 HydrophobicContact CD1-CG2 4.12Å; L185-V192 HydrophobicContact CD1-CG2 4.02Å
186R98.3Very high98.7Very high108 Ų10841.2 Ų41.241%0.40821%0.213SC..G310 helixtrans-52-42.3177.3-172.2179.8-67.6-75.71.9113.3S182 E183 Y188 G189S182-R186 PolarHBondContact O-N 3.12Å; E183-R186 WeakPolarHBondContact O-CB 3.38Å; E183-R186 PolarHBondContact O-N 2.95Å; E183-R186 IonicContact OE1-CZ 2.91Å; E183-R186 IonicContact OE1-NE 2.77Å; E183-R186 IonicContact OE1-NH2 2.7Å; E183-R186 PolarHBondContact OE1-NH2 3.22Å; E183-R186 IonicContact OE2-CZ 2.78Å; E183-R186 IonicContact OE2-NE 2.9Å; E183-R186 PolarHBondContact OE2-NE 2.99Å; E183-R186 IonicContact OE2-NH2 3.22Å; E183-R186 PolarHBondContact OE2-NH2 2.94Å; R186-Y188 PolarHBondContact O-N 3.02Å; R186-Y188 VanDerWaalsContact O-N 3.16Å; R186-G189 PolarHBondContact O-N 3.38Å
187P98.2Very high98.7Very high110 Ų11036.4 Ų36.471%0.71419%0.19SC*.G310 helixtrans-61.8-22.7177.2-24.336000114.3L185L185-P187 VanDerWaalsContact C-CD 3.43Å; L185-P187 VanDerWaalsContact C-N 3.34Å
188Y98.4Very high98.6Very high118 Ų11838.2 Ų38.246%0.46320%0.195SC..G310 helixtrans-96.10179.1-50.5-73.9000113.1K140 L185 R186 I190K140-Y188 HydrophobicContact CD-CD1 3.69Å; K140-Y188 HydrophobicContact CD-CD2 4.4Å; K140-Y188 HydrophobicContact CD-CE1 3.88Å; K140-Y188 HydrophobicContact CD-CG 3.97Å; K140-Y188 HydrophobicContact CG-CD1 3.96Å; K140-Y188 HydrophobicContact CG-CG 3.91Å; K140-Y188 PolarHBondContact NZ-OH 3.09Å; L185-Y188 HydrophobicContact CD2-CD2 4.19Å; L185-Y188 PolarHBondContact O-N 2.55Å; R186-Y188 PolarHBondContact O-N 3.02Å; R186-Y188 VanDerWaalsContact O-N 3.16Å; Y188-I190 VanDerWaalsContact C-N 3.26Å; Y188-I190 PolarHBondContact O-N 3.39Å
189G98.5Very high98.4Very high13 Ų1338.6 Ų38.613%0.13420%0.197CC..THydrogen-bonded Turntrans66.222.8-179.200000114.5L185 R186 S237L185-G189 PolarHBondContact O-N 3.15Å; R186-G189 PolarHBondContact O-N 3.38Å; G189-S237 CarbonylContact O-C 3.59Å; G189-S237 WeakPolarHBondContact O-CB 3.26Å; G189-S237 PolarHBondContact O-OG 3.39Å
190I98.9Very high98.1Very high1 Ų134.6 Ų34.61%0.00518%0.176CC..  trans-82.1117.1177.2-56.4175.5000109.1I136 L139 K140 P145 I147 L185 Y188 V192I136-I190 HydrophobicContact CG2-CD1 4.47Å; L139-I190 HydrophobicContact CB-CD1 3.92Å; L139-I190 HydrophobicContact CB-CG1 4.41Å; K140-I190 HydrophobicContact CG-CD1 3.92Å; P145-I190 HydrophobicContact CB-CB 4.42Å; P145-I190 HydrophobicContact CB-CG1 3.99Å; P145-I190 HydrophobicContact CB-CG2 4.33Å; P145-I190 HydrophobicContact CG-CB 4.37Å; P145-I190 HydrophobicContact CG-CG1 3.83Å; I147-I190 HydrophobicContact CD1-CG2 4.16Å; I147-I190 HydrophobicContact CG1-CG2 4.02Å; L185-I190 HydrophobicContact CB-CB 3.92Å; L185-I190 HydrophobicContact CB-CD1 4.27Å; L185-I190 HydrophobicContact CB-CG1 4.46Å; L185-I190 HydrophobicContact CD1-CB 4.29Å; L185-I190 HydrophobicContact CD1-CD1 4.11Å; L185-I190 HydrophobicContact CD1-CG2 4.12Å; Y188-I190 VanDerWaalsContact C-N 3.26Å; Y188-I190 PolarHBondContact O-N 3.39Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å; I190-V192 PolarHBondContact O-N 3.41Å
191G98.8Very high98Very high0 Ų033.1 Ų33.10%016%0.159CC..EExtended strand (participates in β ladder)trans-77.8109.7175.800000110.5P145 H146 I147 S237P145-G191 PolarHBondContact O-N 3.47Å; H146-G191 CarbonylContact C-O 3.58Å; H146-G191 VanDerWaalsContact CA-O 3.31Å; H146-G191 WeakPolarHBondContact CA-O 3.15Å; I147-G191 PolarHBondContact N-O 2.75Å; G191-S237 VanDerWaalsContact CA-O 3.28Å; G191-S237 WeakPolarHBondContact CA-O 3.15Å; G191-S237 PolarHBondContact N-O 2.88Å
192V98.9Very high97.9Very high0 Ų035.5 Ų35.50%017%0.168CC..EExtended strand (participates in β ladder)trans-109.4116.9178.2-170.90000108.9I147 V178 M181 L185 I190 T241 G242I147-V192 HydrophobicContact CB-CB 4.45Å; I147-V192 HydrophobicContact CB-CG1 4.1Å; I147-V192 HydrophobicContact CB-CG2 4.2Å; I147-V192 HydrophobicContact CD1-CG2 4.23Å; I147-V192 HydrophobicContact CG1-CG2 4.47Å; I147-V192 HydrophobicContact CG2-CG1 4.2Å; I147-V192 WeakPolarHBondContact O-CA 3.38Å; V178-V192 HydrophobicContact CB-CG1 4.42Å; V178-V192 HydrophobicContact CG1-CG1 4.4Å; V178-V192 HydrophobicContact CG2-CG1 4.35Å; M181-V192 HydrophobicContact CB-CG1 4.13Å; M181-V192 HydrophobicContact CB-CG2 4.08Å; L185-V192 HydrophobicContact CD1-CG2 4.02Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å; I190-V192 PolarHBondContact O-N 3.41Å; V192-T241 PolarHBondContact N-OG1 3.05Å; V192-T241 PolarHBondContact O-OG1 3.04Å; V192-G242 PolarHBondContact O-N 3.15Å
193N98.9Very high97.7Very high2 Ų236.8 Ų36.81%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-138.9164.3-176.3-60.2-74.2000111.2I147 L148 N149 F240 T241 G242 H243 Y245I147-N193 PolarHBondContact O-N 3.43Å; L148-N193 WeakPolarHBondContact CA-O 3.45Å; L148-N193 HydrophobicContact CD1-CB 4.14Å; N149-N193 PolarHBondContact N-O 3.18Å; N193-F240 PolarHBondContact ND2-O 3.44Å; N193-T241 WeakPolarHBondContact OD1-CA 3.34Å; N193-G242 PolarHBondContact OD1-N 2.78Å; N193-H243 WeakPolarHBondContact CA-O 3.29Å; N193-H243 WeakPolarHBondContact OD1-CB 3.25Å; N193-H243 PolarHBondContact OD1-CD2 3.45Å; N193-H243 PolarHBondContact OD1-N 2.95Å; N193-Y245 HydrophobicContact CB-CD2 4.38Å; N193-Y245 HydrophobicContact CB-CE2 4.31Å
194A98.9Very high97.2Very high1 Ų132.9 Ų32.91%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-110.5149.7168.800000110.9N149 S151 V178 H243 F244 Y245N149-A194 CarbonylContact O-C 3.28Å; N149-A194 WeakPolarHBondContact O-CA 3.4Å; S151-A194 WeakPolarHBondContact O-CB 3.38Å; V178-A194 HydrophobicContact CG2-CB 3.9Å; A194-H243 PolarHBondContact N-O 2.97Å; A194-F244 HydrophobicContact CB-CD1 3.48Å; A194-F244 VanDerWaalsContact CB-CD1 3.48Å; A194-F244 HydrophobicContact CB-CE1 3.9Å; A194-F244 HydrophobicContact CB-CG 4.31Å; A194-Y245 WeakPolarHBondContact O-CB 3.33Å; A194-Y245 PolarHBondContact O-N 3.23Å
195L98.9Very high96.6Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-133.2132.9170.2174.466.4000110L148 N149 I150 S151 M225 A228 A229 I232 Y245 D247L148-L195 HydrophobicContact CD1-CB 3.93Å; L148-L195 HydrophobicContact CD2-CB 4.36Å; L148-L195 HydrophobicContact CD2-CD2 4.3Å; L148-L195 HydrophobicContact CG-CB 4.32Å; N149-L195 PolarHBondContact O-N 3.26Å; I150-L195 CarbonylContact C-O 3.57Å; I150-L195 WeakPolarHBondContact CA-O 3.45Å; I150-L195 HydrophobicContact CD1-CB 4.36Å; I150-L195 HydrophobicContact CD1-CD2 4.45Å; S151-L195 PolarHBondContact N-O 3.47Å; L195-M225 HydrophobicContact CD2-CE 3.93Å; L195-M225 HydrophobicContact CD2-SD 4.33Å; L195-M225 HydrophobicContact CG-CE 3.73Å; L195-M225 HydrophobicContact CG-SD 4.18Å; L195-A228 HydrophobicContact CD1-CB 3.97Å; L195-A228 HydrophobicContact CD2-CB 4.07Å; L195-A229 HydrophobicContact CD2-CB 3.82Å; L195-I232 HydrophobicContact CB-CD1 4.15Å; L195-I232 HydrophobicContact CD1-CD1 4Å; L195-I232 HydrophobicContact CD2-CD1 4.33Å; L195-I232 HydrophobicContact CG-CD1 4.38Å; L195-Y245 WeakPolarHBondContact CA-O 3.28Å; L195-D247 HydrophobicContact CD1-CB 4.32Å
196W98.7Very high96.1Very high12 Ų1231.2 Ų31.25%0.04516%0.163CC..EExtended strand (participates in β ladder)trans-133.4147.8179.2-157.7-113.6000111.5S151 P152 K171 Y245 V246 D247 D273 F274 F275S151-W196 VanDerWaalsContact CA-CE3 3.42Å; P152-W196 HydrophobicContact CB-CD2 3.74Å; P152-W196 HydrophobicContact CB-CE3 4.31Å; P152-W196 HydrophobicContact CB-CG 3.87Å; P152-W196 HydrophobicContact CB-CZ2 4.41Å; P152-W196 HydrophobicContact CG-CD2 4.48Å; K171-W196 VanDerWaalsContact CE-CH2 3.49Å; K171-W196 VanDerWaalsContact CE-CZ3 3.4Å; W196-Y245 PolarHBondContact N-O 3.44Å; W196-V246 CarbonylContact O-C 3.56Å; W196-V246 VanDerWaalsContact O-CA 3.27Å; W196-V246 WeakPolarHBondContact O-CA 3.4Å; W196-D247 PolarHBondContact O-N 2.62Å; W196-D273 PolarHBondContact NE1-OD2 3.22Å; W196-F274 PolarHBondContact NE1-O 2.88Å; W196-F275 AromaticContact CZ2-CD2 3.88Å; W196-F275 HydrophobicContact CZ2-CD2 3.88Å; W196-F275 HydrophobicContact CZ2-CE2 4.03Å
197P98Very high95.6Very high4 Ų429.4 Ų29.43%0.02616%0.158CC..  trans-80146.7175.514.3-1.7000112T199 I201 M225 D247 D273 L276P197-T199 VanDerWaalsContact C-N 3.3Å; P197-T199 WeakPolarHBondContact CB-O 3.27Å; P197-I201 HydrophobicContact CB-CD1 3.79Å; P197-I201 HydrophobicContact CB-CG1 3.61Å; P197-I201 HydrophobicContact CG-CD1 4.45Å; P197-I201 HydrophobicContact CG-CG1 3.72Å; P197-M225 HydrophobicContact CB-CG 4.12Å; P197-M225 HydrophobicContact CB-SD 3.58Å; P197-M225 VanDerWaalsContact CB-SD 3.58Å; P197-M225 HydrophobicContact CG-CE 4.13Å; P197-M225 HydrophobicContact CG-CG 4.29Å; P197-M225 HydrophobicContact CG-SD 3.76Å; P197-D247 WeakPolarHBondContact CA-OD2 3.37Å; P197-D273 WeakPolarHBondContact CD-OD2 3.34Å; P197-D273 VanDerWaalsContact CG-OD2 3.25Å; P197-D273 WeakPolarHBondContact CG-OD2 3.26Å; P197-D273 WeakPolarHBondContact O-CB 3.36Å; P197-L276 WeakPolarHBondContact O-CD1 3.13Å
198R96.8Very high94.8Very high55 Ų5529.7 Ų29.721%0.20815%0.151CC..SBendtrans-65.3-37.6170.2178.669.479.1-146-0.9111.5V246 D247 E248 E249 D273R198-V246 HydrophobicContact CB-CG1 3.76Å; R198-D247 WeakPolarHBondContact CB-OD1 3.37Å; R198-D247 PolarHBondContact N-OD1 2.89Å; R198-E248 HydrophobicContact CB-CB 4.21Å; R198-E249 IonicContact CZ-OE1 2.81Å; R198-E249 IonicContact NH1-OE1 3.84Å; R198-E249 PolarHBondContact NH1-OE1 3.36Å; R198-E249 IonicContact NH2-OE1 2.68Å; R198-E249 PolarHBondContact NH2-OE1 3.43Å; R198-D273 PolarHBondContact O-N 3.49Å
199T95.3Very high94Very high7 Ų726.9 Ų26.94%0.04314%0.144CC..BIsolated β-bridgetrans-128.7160.6-170.1630000111P197 I201 R220 L270 Q271P197-T199 VanDerWaalsContact C-N 3.3Å; P197-T199 WeakPolarHBondContact CB-O 3.27Å; T199-I201 PolarHBondContact O-N 3.31Å; T199-R220 WeakPolarHBondContact OG1-CD 3.27Å; T199-R220 WeakPolarHBondContact OG1-CG 3.25Å; T199-L270 HydrophobicContact CG2-CB 3.89Å; T199-L270 HydrophobicContact CG2-CD1 4.07Å; T199-Q271 CarbonylContact C-O 3.54Å; T199-Q271 WeakPolarHBondContact CA-O 3.47Å; T199-Q271 VanDerWaalsContact CB-O 3.28Å; T199-Q271 WeakPolarHBondContact CB-O 3.48Å
200A92.4Very high92.8Very high6 Ų626.3 Ų26.35%0.0514%0.138CC..  trans-51.3136.8171.300000111.7M206 C219 R220 Q271A200-M206 HydrophobicContact CB-CE 3.8Å; A200-M206 HydrophobicContact CB-SD 4.31Å; A200-C219 CarbonylContact O-C 3.55Å; A200-C219 VanDerWaalsContact O-CA 3.27Å; A200-C219 WeakPolarHBondContact O-CA 3.24Å; A200-C219 WeakPolarHBondContact O-CB 3.49Å; A200-R220 PolarHBondContact O-N 3.19Å; A200-Q271 HydrophobicContact CB-CB 4.03Å; A200-Q271 HydrophobicContact CB-CG 4.07Å; A200-Q271 PolarHBondContact N-O 3.15Å
201I97Very high91.6Very high11 Ų1128.9 Ų28.96%0.05616%0.164CC..BIsolated β-bridgetrans-107.2127.6-179.7-56.6-58.4000110.2I21 P197 T199 T203 M206 R220 P222 I224 M225I21-I201 HydrophobicContact CD1-CB 4.17Å; I21-I201 HydrophobicContact CD1-CG1 4.24Å; I21-I201 HydrophobicContact CD1-CG2 4.14Å; I21-I201 HydrophobicContact CG1-CG2 3.92Å; P197-I201 HydrophobicContact CB-CD1 3.79Å; P197-I201 HydrophobicContact CB-CG1 3.61Å; P197-I201 HydrophobicContact CG-CD1 4.45Å; P197-I201 HydrophobicContact CG-CG1 3.72Å; T199-I201 PolarHBondContact O-N 3.31Å; I201-T203 HydrophobicContact CG2-CG2 4.03Å; I201-T203 PolarHBondContact O-N 3.04Å; I201-M206 VanDerWaalsContact O-CB 3.28Å; I201-M206 WeakPolarHBondContact O-CB 3.35Å; I201-R220 CarbonylContact C-O 3.51Å; I201-R220 WeakPolarHBondContact CA-O 3.47Å; I201-R220 HydrophobicContact CD1-CB 3.99Å; I201-P222 HydrophobicContact CG2-CB 4.16Å; I201-P222 HydrophobicContact CG2-CG 3.93Å; I201-I224 HydrophobicContact CD1-CG2 3.65Å; I201-M225 HydrophobicContact CD1-CG 4.28Å; I201-M225 HydrophobicContact CG1-CG 4.16Å
202W96.2Very high90.7Very high58 Ų5829.8 Ų29.822%0.2217%0.174CC..  trans-69.4107.1-179.1-172.3-124.1000111.1M206 K207 G212 E213 V215 A216 C219 R220 P222 V264W202-M206 HydrophobicContact CE3-CB 4.38Å; W202-M206 HydrophobicContact CE3-CG 4.32Å; W202-K207 HydrophobicContact CH2-CB 3.41Å; W202-K207 VanDerWaalsContact CH2-CB 3.41Å; W202-K207 HydrophobicContact CH2-CD 3.95Å; W202-K207 HydrophobicContact CH2-CG 3.64Å; W202-K207 HydrophobicContact CZ2-CB 4.06Å; W202-K207 HydrophobicContact CZ2-CD 3.97Å; W202-K207 HydrophobicContact CZ2-CG 4.19Å; W202-K207 HydrophobicContact CZ3-CB 3.81Å; W202-K207 HydrophobicContact CZ3-CG 4.46Å; W202-G212 WeakPolarHBondContact CH2-O 3.28Å; W202-E213 HydrophobicContact CZ2-CG 4.49Å; W202-V215 HydrophobicContact CH2-CG2 4.41Å; W202-V215 HydrophobicContact CZ3-CG2 3.69Å; W202-A216 HydrophobicContact CD2-CB 3.65Å; W202-A216 HydrophobicContact CE3-CB 3.81Å; W202-A216 HydrophobicContact CG-CB 4.32Å; W202-A216 HydrophobicContact CH2-CB 3.85Å; W202-A216 HydrophobicContact CZ2-CB 3.67Å; W202-A216 HydrophobicContact CZ3-CB 3.93Å; W202-C219 HydrophobicContact CB-CB 3.77Å; W202-R220 PolarHBondContact N-O 3Å; W202-P222 WeakPolarHBondContact O-CD 3.4Å; W202-P222 WeakPolarHBondContact O-CG 3.28Å; W202-V264 HydrophobicContact CB-CG2 3.63Å; W202-V264 HydrophobicContact CG-CG2 4.07Å
203T93.7Very high90Very high29 Ų2936 Ų3618%0.17820%0.203CC..SBendtrans-142.5165.6179.2630000109.3I21 I201 A205 M206 K207 P222I21-T203 HydrophobicContact CG1-CG2 4.37Å; I201-T203 HydrophobicContact CG2-CG2 4.03Å; I201-T203 PolarHBondContact O-N 3.04Å; T203-A205 PolarHBondContact O-N 2.89Å; T203-A205 PolarHBondContact OG1-N 3.33Å; T203-M206 PolarHBondContact O-N 3.13Å; T203-M206 PolarHBondContact OG1-N 2.65Å; T203-K207 PolarHBondContact O-N 2.87Å; T203-P222 HydrophobicContact CG2-CG 4.26Å
204A88.3Confident89.2Confident28 Ų2840.3 Ų40.323%0.23122%0.223CC..Hα-helixtrans-54.5-35.3172.100000112.5L49 K207 M208L49-A204 HydrophobicContact CD2-CB 4.4Å; A204-K207 PolarHBondContact O-N 3.37Å; A204-M208 WeakPolarHBondContact O-CG 3.49Å; A204-M208 PolarHBondContact O-N 2.9Å; A204-M208 VanDerWaalsContact O-N 3.07Å
205A86.3Confident88.5Confident49 Ų4941.1 Ų41.141%0.40523%0.228SC..Hα-helixtrans-65.2-43.917500000111.7T203 M208 L209T203-A205 PolarHBondContact O-N 2.89Å; T203-A205 PolarHBondContact OG1-N 3.33Å; A205-M208 PolarHBondContact O-N 3.29Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 2.85Å
206M89.2Confident88.2Confident43 Ų4341.7 Ų41.721%0.21223%0.233CC..Hα-helixtrans-66.5-39.6176.7-170.460-170.300112A200 I201 W202 T203 M208 L209 G210A200-M206 HydrophobicContact CB-CE 3.8Å; A200-M206 HydrophobicContact CB-SD 4.31Å; I201-M206 VanDerWaalsContact O-CB 3.28Å; I201-M206 WeakPolarHBondContact O-CB 3.35Å; W202-M206 HydrophobicContact CE3-CB 4.38Å; W202-M206 HydrophobicContact CE3-CG 4.32Å; T203-M206 PolarHBondContact O-N 3.13Å; T203-M206 PolarHBondContact OG1-N 2.65Å; M206-M208 VanDerWaalsContact C-N 3.27Å; M206-M208 PolarHBondContact O-N 3.37Å; M206-L209 PolarHBondContact O-N 3.14Å; M206-G210 PolarHBondContact O-N 3.38Å
207K87.6Confident87.9Confident70 Ų7042.9 Ų42.930%0.30424%0.242SC..Hα-helixtrans-56.3-42.4172.3-175.8166.9176.5171.60111.6W202 T203 A204 G211 G212 E213W202-K207 HydrophobicContact CH2-CB 3.41Å; W202-K207 VanDerWaalsContact CH2-CB 3.41Å; W202-K207 HydrophobicContact CH2-CD 3.95Å; W202-K207 HydrophobicContact CH2-CG 3.64Å; W202-K207 HydrophobicContact CZ2-CB 4.06Å; W202-K207 HydrophobicContact CZ2-CD 3.97Å; W202-K207 HydrophobicContact CZ2-CG 4.19Å; W202-K207 HydrophobicContact CZ3-CB 3.81Å; W202-K207 HydrophobicContact CZ3-CG 4.46Å; T203-K207 PolarHBondContact O-N 2.87Å; A204-K207 PolarHBondContact O-N 3.37Å; K207-G211 PolarHBondContact O-N 3.47Å; K207-G212 PolarHBondContact O-N 3.22Å; K207-E213 HydrophobicContact CD-CG 4.28Å; K207-E213 IonicContact NZ-OE1 3.06Å; K207-E213 PolarHBondContact NZ-OE1 3.22Å
208M81.3Confident87.5Confident117 Ų11743.9 Ų43.958%0.57625%0.251SS*.Hα-helixtrans-70.4-41.8177.8-71.5-17967.800113.2L49 A204 A205 M206L49-M208 HydrophobicContact CD2-SD 3.94Å; A204-M208 WeakPolarHBondContact O-CG 3.49Å; A204-M208 PolarHBondContact O-N 2.9Å; A204-M208 VanDerWaalsContact O-N 3.07Å; A205-M208 PolarHBondContact O-N 3.29Å; M206-M208 VanDerWaalsContact C-N 3.27Å; M206-M208 PolarHBondContact O-N 3.37Å
209L80.5Confident87.4Confident58 Ų5841.3 Ų41.330%0.30424%0.242SC..Hα-helixtrans-75.8-42.9-177.9-71.2167000112.7I104 A205 M206 G211 M386I104-L209 HydrophobicContact CD1-CD1 3.73Å; I104-L209 HydrophobicContact CG1-CD1 4.36Å; I104-L209 HydrophobicContact CG2-CD1 3.85Å; I104-L209 HydrophobicContact CG2-CD2 4.45Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 2.85Å; M206-L209 PolarHBondContact O-N 3.14Å; L209-G211 PolarHBondContact O-N 3.06Å; L209-M386 WeakPolarHBondContact O-CE 3.46Å
210G74.5Confident87.5Confident2 Ų241.7 Ų41.72%0.02124%0.242CC..THydrogen-bonded Turntrans-76.9-4.8-179.900000114.3M206 H214 V215M206-G210 PolarHBondContact O-N 3.38Å; G210-H214 PolarHBondContact O-CE1 3.33Å; G210-H214 PolarHBondContact O-NE2 3.13Å; G210-V215 VanDerWaalsContact O-CG1 3.26Å; G210-V215 WeakPolarHBondContact O-CG1 3.47Å
211G73.8Confident87.8Confident54 Ų5445.1 Ų45.156%0.55726%0.256SS*.THydrogen-bonded Turntrans85.121173.700000115.4K207 L209 H214K207-G211 PolarHBondContact O-N 3.47Å; L209-G211 PolarHBondContact O-N 3.06Å; G211-H214 PolarHBondContact O-CE1 3.26Å; G211-H214 VanDerWaalsContact O-CE1 3.31Å
212G78.6Confident87.8Confident19 Ų1945.5 Ų45.520%0.19626%0.259CS..SBendtrans131.2-161.3172.400000114.1W202 K207 V215W202-G212 WeakPolarHBondContact CH2-O 3.28Å; K207-G212 PolarHBondContact O-N 3.22Å; G212-V215 WeakPolarHBondContact O-CG2 3.42Å
213E85.9Confident87.9Confident130 Ų13047 Ų4761%0.60727%0.269SS*.G310 helixtrans-76.4-19.9-174.6-63.6-158.3164.100114.6W202 K207 V215 A216W202-E213 HydrophobicContact CZ2-CG 4.49Å; K207-E213 HydrophobicContact CD-CG 4.28Å; K207-E213 IonicContact NZ-OE1 3.06Å; K207-E213 PolarHBondContact NZ-OE1 3.22Å; E213-V215 PolarHBondContact O-N 2.85Å; E213-A216 WeakPolarHBondContact O-CB 3.41Å; E213-A216 PolarHBondContact O-N 2.96Å
214H80.8Confident88.2Confident93 Ų9345.6 Ų45.643%0.43126%0.26SS..G310 helixtrans-58.9-32.5-17865.1-83.9000112.8G210 G211 A216 S217G210-H214 PolarHBondContact O-CE1 3.33Å; G210-H214 PolarHBondContact O-NE2 3.13Å; G211-H214 PolarHBondContact O-CE1 3.26Å; G211-H214 VanDerWaalsContact O-CE1 3.31Å; H214-A216 VanDerWaalsContact C-N 3.25Å; H214-A216 PolarHBondContact O-N 2.85Å; H214-S217 PolarHBondContact O-OG 3.18Å
215V85.8Confident88.7Confident18 Ų1844.2 Ų44.211%0.10925%0.249CC..G310 helixtrans-73.5-12.2176.8-66.30000114W202 G210 G212 E213 S217 A218 C219 V383W202-V215 HydrophobicContact CH2-CG2 4.41Å; W202-V215 HydrophobicContact CZ3-CG2 3.69Å; G210-V215 VanDerWaalsContact O-CG1 3.26Å; G210-V215 WeakPolarHBondContact O-CG1 3.47Å; G212-V215 WeakPolarHBondContact O-CG2 3.42Å; E213-V215 PolarHBondContact O-N 2.85Å; V215-S217 PolarHBondContact O-N 2.85Å; V215-A218 PolarHBondContact O-N 2.79Å; V215-A218 VanDerWaalsContact O-N 3.11Å; V215-C219 PolarHBondContact O-SG 2.94Å; V215-V383 HydrophobicContact CG1-CG2 4.32Å
216A90.8Very high89.2Confident13 Ų1342 Ų4211%0.10723%0.231CC..G310 helixtrans-59.9-37.7-177.100000111.6W202 E213 H214 A218 C219 V264W202-A216 HydrophobicContact CD2-CB 3.65Å; W202-A216 HydrophobicContact CE3-CB 3.81Å; W202-A216 HydrophobicContact CG-CB 4.32Å; W202-A216 HydrophobicContact CH2-CB 3.85Å; W202-A216 HydrophobicContact CZ2-CB 3.67Å; W202-A216 HydrophobicContact CZ3-CB 3.93Å; E213-A216 WeakPolarHBondContact O-CB 3.41Å; E213-A216 PolarHBondContact O-N 2.96Å; H214-A216 VanDerWaalsContact C-N 3.25Å; H214-A216 PolarHBondContact O-N 2.85Å; A216-A218 PolarHBondContact O-N 3.28Å; A216-C219 WeakPolarHBondContact O-CB 3.11Å; A216-C219 PolarHBondContact O-N 3.35Å; A216-V264 HydrophobicContact CB-CG1 4.13Å; A216-V264 VanDerWaalsContact O-CB 3.22Å; A216-V264 WeakPolarHBondContact O-CB 3.3Å; A216-V264 WeakPolarHBondContact O-CG1 3.49Å
217S92.3Very high89.7Confident36 Ų3640.7 Ų40.725%0.25222%0.224SC..G310 helixtrans-61.6-25.5179.463.70000114H214 V215 C219 H268H214-S217 PolarHBondContact O-OG 3.18Å; V215-S217 PolarHBondContact O-N 2.85Å; S217-C219 VanDerWaalsContact C-N 3.34Å; S217-H268 WeakPolarHBondContact O-CB 3.45Å
218A89.7Confident90.2Very high26 Ų2637.3 Ų37.322%0.21521%0.21CC..G310 helixtrans-91.66.2177.200000113.3V215 A216 P269 L270 Q271V215-A218 PolarHBondContact O-N 2.79Å; V215-A218 VanDerWaalsContact O-N 3.11Å; A216-A218 PolarHBondContact O-N 3.28Å; A218-P269 WeakPolarHBondContact CA-O 3.46Å; A218-L270 WeakPolarHBondContact O-CA 3.32Å; A218-Q271 HydrophobicContact CB-CB 4.2Å; A218-Q271 PolarHBondContact O-N 2.87Å
219C94.8Very high91.1Very high0 Ų031.8 Ų31.80%018%0.182CC..SBendtrans-110.5157.4-177.3-62.60000112.1A200 W202 V215 A216 S217 V264A200-C219 CarbonylContact O-C 3.55Å; A200-C219 VanDerWaalsContact O-CA 3.27Å; A200-C219 WeakPolarHBondContact O-CA 3.24Å; A200-C219 WeakPolarHBondContact O-CB 3.49Å; W202-C219 HydrophobicContact CB-CB 3.77Å; V215-C219 PolarHBondContact O-SG 2.94Å; A216-C219 WeakPolarHBondContact O-CB 3.11Å; A216-C219 PolarHBondContact O-N 3.35Å; S217-C219 VanDerWaalsContact C-N 3.34Å; C219-V264 HydrophobicContact CB-CG2 4.34Å; C219-V264 WeakPolarHBondContact O-CB 3.46Å; C219-V264 WeakPolarHBondContact O-CG2 3.21Å; C219-V264 PolarHBondContact O-N 2.77Å
220R98Very high91.9Very high15 Ų1529.1 Ų29.16%0.05717%0.169CC..BIsolated β-bridgetrans-92.8159.6160.8-73.8-174.9173.6151.70.7111.5T199 A200 I201 W202 I224 E248 Y262 L270T199-R220 WeakPolarHBondContact OG1-CD 3.27Å; T199-R220 WeakPolarHBondContact OG1-CG 3.25Å; A200-R220 PolarHBondContact O-N 3.19Å; I201-R220 CarbonylContact C-O 3.51Å; I201-R220 WeakPolarHBondContact CA-O 3.47Å; I201-R220 HydrophobicContact CD1-CB 3.99Å; W202-R220 PolarHBondContact N-O 3Å; R220-I224 HydrophobicContact CB-CG2 4.23Å; R220-E248 IonicContact CZ-OE2 2.93Å; R220-E248 IonicContact NH1-OE2 3.98Å; R220-E248 PolarHBondContact NH1-OE2 2.74Å; R220-E248 IonicContact NH2-OE2 3.88Å; R220-E248 PolarHBondContact NH2-OE2 2.94Å; R220-Y262 CarbonylContact C-O 3.54Å; R220-Y262 WeakPolarHBondContact CA-O 3.42Å; R220-Y262 WeakPolarHBondContact CB-O 3.35Å; R220-L270 HydrophobicContact CG-CD1 3.96Å; R220-L270 HydrophobicContact CG-CD2 4.15Å
221K98Very high93.1Very high79 Ų7929.2 Ų29.234%0.34317%0.169SC..  trans-77.7151177.2-50.4167.4-177.7152.20110.3E223 I224 S261 Y262 A263 V264K221-E223 WeakPolarHBondContact CB-OE2 3.42Å; K221-E223 PolarHBondContact O-N 3.47Å; K221-I224 WeakPolarHBondContact O-CG2 3.38Å; K221-I224 PolarHBondContact O-N 2.94Å; K221-S261 PolarHBondContact NZ-O 3.41Å; K221-Y262 WeakPolarHBondContact CG-O 3.3Å; K221-Y262 PolarHBondContact N-O 3Å; K221-A263 WeakPolarHBondContact CE-O 3.19Å; K221-A263 PolarHBondContact NZ-O 3.41Å; K221-V264 HydrophobicContact CG-CG2 3.96Å
222P98.3Very high94.3Very high19 Ų1926.8 Ų26.812%0.12314%0.143CC..THydrogen-bonded Turntrans-55.8-20.6179.7-27.236.5000115.7A24 I201 W202 T203 I224 M225 A226A24-P222 HydrophobicContact CB-CB 3.62Å; I201-P222 HydrophobicContact CG2-CB 4.16Å; I201-P222 HydrophobicContact CG2-CG 3.93Å; W202-P222 WeakPolarHBondContact O-CD 3.4Å; W202-P222 WeakPolarHBondContact O-CG 3.28Å; T203-P222 HydrophobicContact CG2-CG 4.26Å; P222-I224 PolarHBondContact O-N 3.39Å; P222-M225 PolarHBondContact O-N 3.28Å; P222-A226 PolarHBondContact O-N 3.17Å; P222-A226 VanDerWaalsContact O-N 3.14Å
223E98.3Very high95.2Very high88 Ų8826 Ų2641%0.41113%0.134SC..Hα-helixtrans-60.7-26.3-179.5-70.872.6-165.400113.2K221 A226 D227 Y262K221-E223 WeakPolarHBondContact CB-OE2 3.42Å; K221-E223 PolarHBondContact O-N 3.47Å; E223-A226 PolarHBondContact O-N 3.19Å; E223-D227 WeakPolarHBondContact O-CB 3.24Å; E223-D227 PolarHBondContact O-N 3.42Å; E223-Y262 HydrophobicContact CB-CD1 4.24Å; E223-Y262 HydrophobicContact CB-CE1 4.24Å
224I98.6Very high95.8Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-65-43.9175.8-166.1172.1000111.3I201 R220 K221 P222 A226 D227 A228 D247 L251 F259 Y262I201-I224 HydrophobicContact CD1-CG2 3.65Å; R220-I224 HydrophobicContact CB-CG2 4.23Å; K221-I224 WeakPolarHBondContact O-CG2 3.38Å; K221-I224 PolarHBondContact O-N 2.94Å; P222-I224 PolarHBondContact O-N 3.39Å; I224-A226 VanDerWaalsContact C-N 3.31Å; I224-A226 PolarHBondContact O-N 3.49Å; I224-D227 PolarHBondContact O-N 3.21Å; I224-A228 WeakPolarHBondContact O-CB 3.41Å; I224-A228 PolarHBondContact O-N 3.07Å; I224-D247 HydrophobicContact CG1-CB 4.26Å; I224-D247 WeakPolarHBondContact CG2-OD2 3.3Å; I224-L251 HydrophobicContact CD1-CD1 4.35Å; I224-L251 HydrophobicContact CG1-CD1 3.58Å; I224-F259 HydrophobicContact CD1-CD1 3.94Å; I224-F259 HydrophobicContact CD1-CE1 4.3Å; I224-Y262 HydrophobicContact CB-CD1 3.58Å; I224-Y262 HydrophobicContact CB-CD2 4.35Å; I224-Y262 HydrophobicContact CB-CE1 4.1Å; I224-Y262 HydrophobicContact CB-CG 3.72Å; I224-Y262 HydrophobicContact CD1-CD2 4.17Å; I224-Y262 HydrophobicContact CD1-CG 4.2Å; I224-Y262 HydrophobicContact CG1-CD1 4.19Å; I224-Y262 HydrophobicContact CG1-CD2 4.09Å; I224-Y262 HydrophobicContact CG1-CE1 4.49Å; I224-Y262 HydrophobicContact CG1-CE2 4.41Å; I224-Y262 HydrophobicContact CG1-CG 3.98Å
225M98.8Very high96.6Very high0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-67.3-35.7175.2-72.2-67.8-72.200111I21 I150 L195 P197 I201 P222 A229 D247I21-M225 HydrophobicContact CD1-CG 4.25Å; I21-M225 HydrophobicContact CG1-CB 4.45Å; I21-M225 HydrophobicContact CG1-CG 4.4Å; I21-M225 HydrophobicContact CG2-CB 3.83Å; I21-M225 HydrophobicContact CG2-CE 4.4Å; I21-M225 HydrophobicContact CG2-CG 4.36Å; I150-M225 HydrophobicContact CD1-CE 4.34Å; I150-M225 HydrophobicContact CG2-CE 3.83Å; L195-M225 HydrophobicContact CD2-CE 3.93Å; L195-M225 HydrophobicContact CD2-SD 4.33Å; L195-M225 HydrophobicContact CG-CE 3.73Å; L195-M225 HydrophobicContact CG-SD 4.18Å; P197-M225 HydrophobicContact CB-CG 4.12Å; P197-M225 HydrophobicContact CB-SD 3.58Å; P197-M225 VanDerWaalsContact CB-SD 3.58Å; P197-M225 HydrophobicContact CG-CE 4.13Å; P197-M225 HydrophobicContact CG-CG 4.29Å; P197-M225 HydrophobicContact CG-SD 3.76Å; I201-M225 HydrophobicContact CD1-CG 4.28Å; I201-M225 HydrophobicContact CG1-CG 4.16Å; P222-M225 PolarHBondContact O-N 3.28Å; M225-A229 WeakPolarHBondContact O-CB 3.47Å; M225-A229 PolarHBondContact O-N 3.48Å; M225-D247 HydrophobicContact SD-CB 3.77Å
226A98.8Very high97.1Very high3 Ų321.4 Ų21.43%0.02511%0.113CC..Hα-helixtrans-64.6-46.3176.700000112.3A24 I25 K28 P222 E223 I224 A229 Y230A24-A226 HydrophobicContact CB-CB 3.97Å; A24-A226 WeakPolarHBondContact O-CB 3.46Å; I25-A226 HydrophobicContact CG1-CB 4.31Å; K28-A226 HydrophobicContact CB-CB 3.88Å; K28-A226 HydrophobicContact CG-CB 4.33Å; P222-A226 PolarHBondContact O-N 3.17Å; P222-A226 VanDerWaalsContact O-N 3.14Å; E223-A226 PolarHBondContact O-N 3.19Å; I224-A226 VanDerWaalsContact C-N 3.31Å; I224-A226 PolarHBondContact O-N 3.49Å; A226-A229 PolarHBondContact O-N 3.23Å; A226-Y230 WeakPolarHBondContact O-CB 3.32Å; A226-Y230 PolarHBondContact O-N 2.9Å
227D98.7Very high97.5Very high14 Ų1421 Ų218%0.07511%0.11CC..Hα-helixtrans-68-40.3178-79.9-11.7000111.8M1 K28 E223 I224 Y230 A231 L251 Y262M1-D227 HydrophobicContact CB-CB 4Å; M1-D227 PolarHBondContact N-OD2 3.18Å; K28-D227 WeakPolarHBondContact CD-OD1 3.35Å; K28-D227 WeakPolarHBondContact CE-OD1 3.22Å; K28-D227 IonicContact NZ-OD1 2.67Å; K28-D227 PolarHBondContact NZ-OD1 2.87Å; E223-D227 WeakPolarHBondContact O-CB 3.24Å; E223-D227 PolarHBondContact O-N 3.42Å; I224-D227 PolarHBondContact O-N 3.21Å; D227-Y230 PolarHBondContact O-N 3.48Å; D227-A231 WeakPolarHBondContact O-CB 3.15Å; D227-A231 PolarHBondContact O-N 3.19Å; D227-L251 HydrophobicContact CB-CD1 4.48Å; D227-L251 HydrophobicContact CB-CD2 3.97Å; D227-Y262 PolarHBondContact OD2-OH 2.96Å
228A98.7Very high97.8Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-65.1-43.2174.800000112.3L195 I224 Y230 A231 I232 D247 V250 L251L195-A228 HydrophobicContact CD1-CB 3.97Å; L195-A228 HydrophobicContact CD2-CB 4.07Å; I224-A228 WeakPolarHBondContact O-CB 3.41Å; I224-A228 PolarHBondContact O-N 3.07Å; A228-Y230 VanDerWaalsContact C-N 3.35Å; A228-Y230 PolarHBondContact O-N 2.7Å; A228-A231 WeakPolarHBondContact O-CB 3.48Å; A228-A231 PolarHBondContact O-N 3.48Å; A228-I232 WeakPolarHBondContact O-CG1 3.1Å; A228-I232 PolarHBondContact O-N 3.21Å; A228-I232 VanDerWaalsContact O-N 3.1Å; A228-D247 HydrophobicContact CB-CB 3.82Å; A228-V250 HydrophobicContact CB-CB 4.33Å; A228-V250 HydrophobicContact CB-CG1 4.37Å; A228-L251 HydrophobicContact CB-CG 4.33Å
229A98.8Very high98.1Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-60.2-46.4174.200000110.8I25 L148 L195 M225 A226 A231 I232 L233I25-A229 HydrophobicContact CD1-CB 4.06Å; I25-A229 HydrophobicContact CG1-CB 3.92Å; I25-A229 HydrophobicContact CG2-CB 4.05Å; L148-A229 HydrophobicContact CD2-CB 3.74Å; L195-A229 HydrophobicContact CD2-CB 3.82Å; M225-A229 WeakPolarHBondContact O-CB 3.47Å; M225-A229 PolarHBondContact O-N 3.48Å; A226-A229 PolarHBondContact O-N 3.23Å; A229-A231 VanDerWaalsContact C-N 3.32Å; A229-A231 PolarHBondContact O-N 3.44Å; A229-I232 PolarHBondContact O-N 3.15Å; A229-I232 VanDerWaalsContact O-N 3.14Å; A229-L233 WeakPolarHBondContact O-CG 3.35Å; A229-L233 PolarHBondContact O-N 2.98Å
230Y98.8Very high98.1Very high3 Ų334.1 Ų34.11%0.01216%0.163CC..Hα-helixtrans-56.5-46176.3-176.3-91000111.9M1 T4 L7 K28 D32 A226 D227 A228 I232 L233 I234M1-Y230 HydrophobicContact CE-CD1 3.79Å; M1-Y230 HydrophobicContact CE-CE1 4.01Å; M1-Y230 HydrophobicContact SD-CD1 3.91Å; T4-Y230 HydrophobicContact CG2-CE1 4.24Å; T4-Y230 PolarHBondContact N-OH 2.67Å; T4-Y230 PolarHBondContact OG1-OH 3.31Å; L7-Y230 HydrophobicContact CD1-CD2 3.61Å; L7-Y230 HydrophobicContact CD1-CE2 3.6Å; L7-Y230 HydrophobicContact CG-CD2 4.39Å; L7-Y230 HydrophobicContact CG-CE2 3.92Å; K28-Y230 HydrophobicContact CG-CD2 4.04Å; K28-Y230 HydrophobicContact CG-CG 4.12Å; D32-Y230 VanDerWaalsContact CG-OH 3.27Å; D32-Y230 PolarHBondContact OD1-OH 2.72Å; D32-Y230 VanDerWaalsContact OD2-CE2 3.24Å; D32-Y230 WeakPolarHBondContact OD2-CE2 3.38Å; D32-Y230 PolarHBondContact OD2-OH 3.01Å; A226-Y230 WeakPolarHBondContact O-CB 3.32Å; A226-Y230 PolarHBondContact O-N 2.9Å; D227-Y230 PolarHBondContact O-N 3.48Å; A228-Y230 VanDerWaalsContact C-N 3.35Å; A228-Y230 PolarHBondContact O-N 2.7Å; Y230-I232 VanDerWaalsContact C-N 3.29Å; Y230-I232 PolarHBondContact O-N 3.13Å; Y230-L233 PolarHBondContact O-N 2.97Å; Y230-I234 HydrophobicContact CD1-CD1 4.42Å; Y230-I234 HydrophobicContact CD1-CG2 4.48Å; Y230-I234 HydrophobicContact CE1-CD1 4.01Å; Y230-I234 HydrophobicContact CE1-CG2 4.05Å; Y230-I234 HydrophobicContact CE2-CG2 4.32Å; Y230-I234 WeakPolarHBondContact O-CG1 3.39Å; Y230-I234 PolarHBondContact O-N 3.11Å
231A98.4Very high98.1Very high4 Ų434 Ų343%0.03316%0.164CC..Hα-helixtrans-58.8-36.4177.100000113.5M1 D227 A228 A229 R235 V250 L254M1-A231 HydrophobicContact CE-CB 4.26Å; M1-A231 HydrophobicContact SD-CB 3.99Å; D227-A231 WeakPolarHBondContact O-CB 3.15Å; D227-A231 PolarHBondContact O-N 3.19Å; A228-A231 WeakPolarHBondContact O-CB 3.48Å; A228-A231 PolarHBondContact O-N 3.48Å; A229-A231 VanDerWaalsContact C-N 3.32Å; A229-A231 PolarHBondContact O-N 3.44Å; A231-R235 WeakPolarHBondContact O-CG 3.14Å; A231-V250 HydrophobicContact CB-CG1 3.63Å; A231-L254 HydrophobicContact CB-CD1 3.44Å; A231-L254 VanDerWaalsContact CB-CD1 3.44Å
232I98.6Very high98.2Very high2 Ų231.4 Ų31.41%0.0116%0.159CC..Hα-helixtrans-72.7-47.7176.1-66.6163.3000110.7L148 L195 A228 A229 Y230 I234 R235 Y245 V250L148-I232 HydrophobicContact CD1-CD1 4.19Å; L148-I232 HydrophobicContact CD1-CG2 4.21Å; L195-I232 HydrophobicContact CB-CD1 4.15Å; L195-I232 HydrophobicContact CD1-CD1 4Å; L195-I232 HydrophobicContact CD2-CD1 4.33Å; L195-I232 HydrophobicContact CG-CD1 4.38Å; A228-I232 WeakPolarHBondContact O-CG1 3.1Å; A228-I232 PolarHBondContact O-N 3.21Å; A228-I232 VanDerWaalsContact O-N 3.1Å; A229-I232 PolarHBondContact O-N 3.15Å; A229-I232 VanDerWaalsContact O-N 3.14Å; Y230-I232 VanDerWaalsContact C-N 3.29Å; Y230-I232 PolarHBondContact O-N 3.13Å; I232-I234 PolarHBondContact O-N 3.23Å; I232-R235 VanDerWaalsContact O-CB 3.3Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.27Å; I232-Y245 HydrophobicContact CD1-CD2 3.5Å; I232-Y245 HydrophobicContact CD1-CE2 4.21Å; I232-Y245 HydrophobicContact CD1-CG 3.87Å; I232-Y245 HydrophobicContact CG1-CD2 3.89Å; I232-Y245 HydrophobicContact CG1-CE2 4.11Å; I232-Y245 HydrophobicContact CG1-CG 4.36Å; I232-Y245 HydrophobicContact CG2-CE2 4.4Å; I232-V250 HydrophobicContact CD1-CG2 4.24Å; I232-V250 HydrophobicContact CG1-CG1 4.26Å; I232-V250 HydrophobicContact CG1-CG2 4.37Å
233L98.6Very high98.2Very high2 Ų234 Ų341%0.0117%0.17CC..Hα-helixtrans-66.4-20.2-172.4-67.1174.9000114.1L7 L12 V96 I98 H146 L148 A229 Y230L7-L233 HydrophobicContact CD2-CB 4.45Å; L12-L233 HydrophobicContact CD2-CD1 4.33Å; V96-L233 HydrophobicContact CB-CD2 4.46Å; V96-L233 HydrophobicContact CG1-CD1 4.06Å; V96-L233 HydrophobicContact CG1-CD2 3.44Å; V96-L233 VanDerWaalsContact CG1-CD2 3.44Å; V96-L233 HydrophobicContact CG1-CG 4.38Å; V96-L233 HydrophobicContact CG2-CD2 4.14Å; I98-L233 HydrophobicContact CD1-CD1 3.99Å; H146-L233 HydrophobicContact CB-CD2 3.54Å; H146-L233 PolarHBondContact CD2-O 2.98Å; H146-L233 PolarHBondContact NE2-O 3.07Å; L148-L233 HydrophobicContact CB-CD2 4.42Å; A229-L233 WeakPolarHBondContact O-CG 3.35Å; A229-L233 PolarHBondContact O-N 2.98Å; Y230-L233 PolarHBondContact O-N 2.97Å
234I97.6Very high98.2Very high33 Ų3332.1 Ų32.117%0.16916%0.16CC..THydrogen-bonded Turntrans-91.1-0175.468171.3000113.7M1 K6 L7 Y230 I232M1-I234 HydrophobicContact CE-CD1 4.07Å; K6-I234 HydrophobicContact CB-CB 4.29Å; K6-I234 HydrophobicContact CB-CG2 3.79Å; K6-I234 HydrophobicContact CD-CB 3.88Å; K6-I234 HydrophobicContact CD-CD1 4.33Å; K6-I234 HydrophobicContact CD-CG2 4.25Å; L7-I234 HydrophobicContact CD2-CG2 4.2Å; L7-I234 HydrophobicContact CG-CG2 4.18Å; Y230-I234 HydrophobicContact CD1-CD1 4.42Å; Y230-I234 HydrophobicContact CD1-CG2 4.48Å; Y230-I234 HydrophobicContact CE1-CD1 4.01Å; Y230-I234 HydrophobicContact CE1-CG2 4.05Å; Y230-I234 HydrophobicContact CE2-CG2 4.32Å; Y230-I234 WeakPolarHBondContact O-CG1 3.39Å; Y230-I234 PolarHBondContact O-N 3.11Å; I232-I234 PolarHBondContact O-N 3.23Å
235R97.6Very high98.2Very high42 Ų4232.9 Ų32.916%0.15816%0.163CC..SBendtrans-76.5162.3171.3-61-175.7-177.6-163-5.6110.3N144 H146 A231 I232 S237 F240 Y245 E253N144-R235 PolarHBondContact ND2-O 3.31Å; N144-R235 PolarHBondContact OD1-O 2.71Å; H146-R235 PolarHBondContact NE2-O 3.28Å; A231-R235 WeakPolarHBondContact O-CG 3.14Å; I232-R235 VanDerWaalsContact O-CB 3.3Å; I232-R235 WeakPolarHBondContact O-CB 3.47Å; I232-R235 PolarHBondContact O-N 3.27Å; R235-S237 PolarHBondContact O-N 3.15Å; R235-F240 HydrophobicContact CB-CB 4.19Å; R235-F240 HydrophobicContact CB-CD2 3.94Å; R235-F240 HydrophobicContact CB-CE2 4.49Å; R235-F240 HydrophobicContact CB-CG 4Å; R235-Y245 PolarHBondContact NH1-OH 3.32Å; R235-Y245 VanDerWaalsContact NH1-OH 3.09Å; R235-E253 IonicContact CZ-OE2 2.82Å; R235-E253 IonicContact NH1-OE2 2.85Å; R235-E253 IonicContact NH2-OE2 2.85Å; R235-E253 PolarHBondContact NH2-OE2 3.36Å
236D97.9Very high98.1Very high71 Ų7133 Ų3338%0.3816%0.164SC..  trans-70.7108.6174.1176.167.2000110.5K238 N239 F240D236-K238 PolarHBondContact O-N 2.64Å; D236-N239 PolarHBondContact O-N 2.83Å; D236-N239 WeakPolarHBondContact OD2-CB 3.37Å; D236-N239 PolarHBondContact OD2-N 2.9Å; D236-N239 VanDerWaalsContact OD2-N 3.07Å; D236-N239 PolarHBondContact OD2-ND2 3.36Å; D236-F240 HydrophobicContact CB-CD2 4.46Å; D236-F240 WeakPolarHBondContact O-CB 3.48Å; D236-F240 WeakPolarHBondContact O-CD2 3.44Å; D236-F240 PolarHBondContact O-N 3.45Å
237S98.5Very high98.1Very high4 Ų432.9 Ų32.93%0.02816%0.163CC..THydrogen-bonded Turntrans-57.1-31.8-178.146.70000114N144 P145 G189 G191 R235N144-S237 WeakPolarHBondContact CA-OG 3.26Å; N144-S237 VanDerWaalsContact OD1-CB 3.27Å; N144-S237 WeakPolarHBondContact OD1-CB 3.39Å; N144-S237 PolarHBondContact OD1-N 3.27Å; N144-S237 PolarHBondContact OD1-OG 3.36Å; P145-S237 WeakPolarHBondContact CD-OG 3.39Å; P145-S237 WeakPolarHBondContact O-CB 3.39Å; G189-S237 CarbonylContact O-C 3.59Å; G189-S237 WeakPolarHBondContact O-CB 3.26Å; G189-S237 PolarHBondContact O-OG 3.39Å; G191-S237 VanDerWaalsContact CA-O 3.28Å; G191-S237 WeakPolarHBondContact CA-O 3.15Å; G191-S237 PolarHBondContact N-O 2.88Å; R235-S237 PolarHBondContact O-N 3.15Å
238K97.5Very high98Very high141 Ų14133.3 Ų33.361%0.61317%0.165SC*.THydrogen-bonded Turntrans-66.7-39.3-178.8-173178.8180179.40112.3D236D236-K238 PolarHBondContact O-N 2.64Å
239N96.4Very high97.9Very high118 Ų11837.2 Ų37.263%0.63118%0.183SC*.THydrogen-bonded Turntrans-99.5-22.4-177.6-64.9-56.4000113.7D236D236-N239 PolarHBondContact O-N 2.83Å; D236-N239 WeakPolarHBondContact OD2-CB 3.37Å; D236-N239 PolarHBondContact OD2-N 2.9Å; D236-N239 VanDerWaalsContact OD2-N 3.07Å; D236-N239 PolarHBondContact OD2-ND2 3.36Å
240F95.4Very high97.8Very high79 Ų7937.2 Ų37.235%0.34618%0.183SC..SBendtrans-105.487.4-179.4-73.8-89000111.9N193 R235 D236N193-F240 PolarHBondContact ND2-O 3.44Å; R235-F240 HydrophobicContact CB-CB 4.19Å; R235-F240 HydrophobicContact CB-CD2 3.94Å; R235-F240 HydrophobicContact CB-CE2 4.49Å; R235-F240 HydrophobicContact CB-CG 4Å; D236-F240 HydrophobicContact CB-CD2 4.46Å; D236-F240 WeakPolarHBondContact O-CB 3.48Å; D236-F240 WeakPolarHBondContact O-CD2 3.44Å; D236-F240 PolarHBondContact O-N 3.45Å
241T98.5Very high97.7Very high12 Ų1237 Ų377%0.07418%0.182CC..  trans-145.9150.7-179-164.60000111.1S182 V192 N193S182-T241 VanDerWaalsContact CB-OG1 3.3Å; S182-T241 WeakPolarHBondContact CB-OG1 3.34Å; V192-T241 PolarHBondContact N-OG1 3.05Å; V192-T241 PolarHBondContact O-OG1 3.04Å; N193-T241 WeakPolarHBondContact OD1-CA 3.34Å
242G98.5Very high97.6Very high24 Ų2442.8 Ų42.825%0.24720%0.203CC..SBendtrans8712177.300000115.4V192 N193V192-G242 PolarHBondContact O-N 3.15Å; N193-G242 PolarHBondContact OD1-N 2.78Å
243H98.6Very high97.4Very high73 Ų7348.3 Ų48.334%0.33823%0.229SC..  trans-93.9150.1-175.7-59.8-81.9000113.4N193 A194 Y245N193-H243 WeakPolarHBondContact CA-O 3.29Å; N193-H243 WeakPolarHBondContact OD1-CB 3.25Å; N193-H243 PolarHBondContact OD1-CD2 3.45Å; N193-H243 PolarHBondContact OD1-N 2.95Å; A194-H243 PolarHBondContact N-O 2.97Å; H243-Y245 HydrophobicContact CB-CD2 3.81Å; H243-Y245 HydrophobicContact CB-CE1 4.19Å; H243-Y245 HydrophobicContact CB-CE2 3.32Å; H243-Y245 HydrophobicContact CB-CG 4.44Å; H243-Y245 PolarHBondContact CD2-OH 2.89Å; H243-Y245 AromaticContact CG-CE2 3.92Å; H243-Y245 AromaticContact CG-CZ 3.71Å
244F98.6Very high97.1Very high50 Ų5052.4 Ų52.422%0.21925%0.25CS..EExtended strand (participates in β ladder)trans-114.388.2171.2-64-86.5000109.4P153 L154 S175 V178 L179 A194P153-F244 HydrophobicContact CB-CB 4.02Å; P153-F244 HydrophobicContact CG-CB 4.04Å; L154-F244 HydrophobicContact CD1-CZ 4.22Å; S175-F244 WeakPolarHBondContact O-CZ 3.2Å; V178-F244 HydrophobicContact CB-CE1 3.99Å; V178-F244 HydrophobicContact CB-CZ 3.92Å; V178-F244 HydrophobicContact CG1-CE1 4.22Å; V178-F244 HydrophobicContact CG1-CE2 4.49Å; V178-F244 HydrophobicContact CG1-CZ 3.98Å; V178-F244 HydrophobicContact CG2-CE1 4.44Å; L179-F244 HydrophobicContact CD2-CE2 3.72Å; L179-F244 HydrophobicContact CD2-CZ 3.97Å; L179-F244 HydrophobicContact CG-CE2 4.19Å; L179-F244 HydrophobicContact CG-CZ 3.92Å; A194-F244 HydrophobicContact CB-CD1 3.48Å; A194-F244 VanDerWaalsContact CB-CD1 3.48Å; A194-F244 HydrophobicContact CB-CE1 3.9Å; A194-F244 HydrophobicContact CB-CG 4.31Å
245Y98.1Very high97Very high16 Ų1653.5 Ų53.56%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-81.6149.1-174.6-70.3-69.8000112.8N193 A194 L195 W196 I232 R235 H243 V250N193-Y245 HydrophobicContact CB-CD2 4.38Å; N193-Y245 HydrophobicContact CB-CE2 4.31Å; A194-Y245 WeakPolarHBondContact O-CB 3.33Å; A194-Y245 PolarHBondContact O-N 3.23Å; L195-Y245 WeakPolarHBondContact CA-O 3.28Å; W196-Y245 PolarHBondContact N-O 3.44Å; I232-Y245 HydrophobicContact CD1-CD2 3.5Å; I232-Y245 HydrophobicContact CD1-CE2 4.21Å; I232-Y245 HydrophobicContact CD1-CG 3.87Å; I232-Y245 HydrophobicContact CG1-CD2 3.89Å; I232-Y245 HydrophobicContact CG1-CE2 4.11Å; I232-Y245 HydrophobicContact CG1-CG 4.36Å; I232-Y245 HydrophobicContact CG2-CE2 4.4Å; R235-Y245 PolarHBondContact NH1-OH 3.32Å; R235-Y245 VanDerWaalsContact NH1-OH 3.09Å; H243-Y245 HydrophobicContact CB-CD2 3.81Å; H243-Y245 HydrophobicContact CB-CE1 4.19Å; H243-Y245 HydrophobicContact CB-CE2 3.32Å; H243-Y245 HydrophobicContact CB-CG 4.44Å; H243-Y245 PolarHBondContact CD2-OH 2.89Å; H243-Y245 AromaticContact CG-CE2 3.92Å; H243-Y245 AromaticContact CG-CZ 3.71Å; Y245-V250 HydrophobicContact CD1-CG2 3.47Å; Y245-V250 VanDerWaalsContact CD1-CG2 3.47Å; Y245-V250 HydrophobicContact CE1-CG2 4.31Å; Y245-V250 HydrophobicContact CG-CG2 3.67Å
246V97.9Very high96.8Very high3 Ų353 Ų532%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-107.9134.5163-176.30000109.3W196 R198 E248 E249 V250 L276W196-V246 CarbonylContact O-C 3.56Å; W196-V246 VanDerWaalsContact O-CA 3.27Å; W196-V246 WeakPolarHBondContact O-CA 3.4Å; R198-V246 HydrophobicContact CB-CG1 3.76Å; V246-E248 VanDerWaalsContact C-N 3.33Å; V246-E248 PolarHBondContact O-N 2.98Å; V246-E249 HydrophobicContact CB-CB 4.39Å; V246-E249 HydrophobicContact CB-CG 4.06Å; V246-E249 WeakPolarHBondContact O-CB 3.26Å; V246-E249 PolarHBondContact O-N 3.18Å; V246-V250 PolarHBondContact O-N 2.88Å; V246-V250 VanDerWaalsContact O-N 3.08Å; V246-L276 HydrophobicContact CG1-CD1 4.11Å; V246-L276 HydrophobicContact CG2-CD1 4.27Å; V246-L276 HydrophobicContact CG2-CD2 3.94Å
247D98.3Very high96.6Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-48-49.1-17561.7-10.5000114.4L195 W196 P197 R198 I224 M225 A228 E249 V250 L251L195-D247 HydrophobicContact CD1-CB 4.32Å; W196-D247 PolarHBondContact O-N 2.62Å; P197-D247 WeakPolarHBondContact CA-OD2 3.37Å; R198-D247 WeakPolarHBondContact CB-OD1 3.37Å; R198-D247 PolarHBondContact N-OD1 2.89Å; I224-D247 HydrophobicContact CG1-CB 4.26Å; I224-D247 WeakPolarHBondContact CG2-OD2 3.3Å; M225-D247 HydrophobicContact SD-CB 3.77Å; A228-D247 HydrophobicContact CB-CB 3.82Å; D247-E249 PolarHBondContact O-N 2.96Å; D247-V250 PolarHBondContact O-N 3.34Å; D247-L251 WeakPolarHBondContact O-CG 3.37Å; D247-L251 PolarHBondContact O-N 2.91Å; D247-L251 VanDerWaalsContact O-N 3.1Å
248E96.4Very high96.3Very high23 Ų2359.8 Ų59.811%0.10731%0.311CS..Hα-helixtrans-66.5-37.6-179.2-167.4178.8121.800111.8R198 R220 V246 L251 R252 F259R198-E248 HydrophobicContact CB-CB 4.21Å; R220-E248 IonicContact CZ-OE2 2.93Å; R220-E248 IonicContact NH1-OE2 3.98Å; R220-E248 PolarHBondContact NH1-OE2 2.74Å; R220-E248 IonicContact NH2-OE2 3.88Å; R220-E248 PolarHBondContact NH2-OE2 2.94Å; V246-E248 VanDerWaalsContact C-N 3.33Å; V246-E248 PolarHBondContact O-N 2.98Å; E248-L251 PolarHBondContact O-N 3.23Å; E248-R252 HydrophobicContact CG-CG 4.42Å; E248-R252 WeakPolarHBondContact O-CB 3.23Å; E248-R252 VanDerWaalsContact O-CG 3.25Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.94Å; E248-R252 IonicContact OE1-CZ 3.62Å; E248-R252 IonicContact OE1-NE 3.54Å; E248-R252 PolarHBondContact OE1-NE 3.14Å; E248-R252 IonicContact OE1-NH2 2.73Å; E248-R252 PolarHBondContact OE1-NH2 2.86Å; E248-F259 HydrophobicContact CB-CE1 4.29Å; E248-F259 HydrophobicContact CG-CD1 4.01Å; E248-F259 HydrophobicContact CG-CD2 4.32Å; E248-F259 HydrophobicContact CG-CE1 3.6Å; E248-F259 HydrophobicContact CG-CE2 3.93Å; E248-F259 HydrophobicContact CG-CG 4.37Å; E248-F259 HydrophobicContact CG-CZ 3.55Å
249E96.2Very high96.3Very high81 Ų8153.7 Ų53.738%0.37929%0.285SS..Hα-helixtrans-64.9-46.7178.6-64.8171.5-17200110.3R198 V246 D247 L251 R252 E253R198-E249 IonicContact CZ-OE1 2.81Å; R198-E249 IonicContact NH1-OE1 3.84Å; R198-E249 PolarHBondContact NH1-OE1 3.36Å; R198-E249 IonicContact NH2-OE1 2.68Å; R198-E249 PolarHBondContact NH2-OE1 3.43Å; V246-E249 HydrophobicContact CB-CB 4.39Å; V246-E249 HydrophobicContact CB-CG 4.06Å; V246-E249 WeakPolarHBondContact O-CB 3.26Å; V246-E249 PolarHBondContact O-N 3.18Å; D247-E249 PolarHBondContact O-N 2.96Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.07Å; E249-R252 PolarHBondContact O-N 3.18Å; E249-E253 WeakPolarHBondContact O-CG 3.2Å; E249-E253 PolarHBondContact O-N 3.3Å
250V97.1Very high96.1Very high0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-58.5-42.2176.5175.70000111.5A228 A231 I232 Y245 V246 D247 E253 L254A228-V250 HydrophobicContact CB-CB 4.33Å; A228-V250 HydrophobicContact CB-CG1 4.37Å; A231-V250 HydrophobicContact CB-CG1 3.63Å; I232-V250 HydrophobicContact CD1-CG2 4.24Å; I232-V250 HydrophobicContact CG1-CG1 4.26Å; I232-V250 HydrophobicContact CG1-CG2 4.37Å; Y245-V250 HydrophobicContact CD1-CG2 3.47Å; Y245-V250 VanDerWaalsContact CD1-CG2 3.47Å; Y245-V250 HydrophobicContact CE1-CG2 4.31Å; Y245-V250 HydrophobicContact CG-CG2 3.67Å; V246-V250 PolarHBondContact O-N 2.88Å; V246-V250 VanDerWaalsContact O-N 3.08Å; D247-V250 PolarHBondContact O-N 3.34Å; V250-E253 WeakPolarHBondContact O-CB 3.43Å; V250-L254 PolarHBondContact O-N 3.09Å
251L97.4Very high96.1Very high0 Ų051.9 Ų51.90%028%0.284CS..Hα-helixtrans-74.5-35.1-179.2-67.4176.9000112.3I224 D227 A228 D247 E248 E249 E253 L254 G255 V256 F259 Y262I224-L251 HydrophobicContact CD1-CD1 4.35Å; I224-L251 HydrophobicContact CG1-CD1 3.58Å; D227-L251 HydrophobicContact CB-CD1 4.48Å; D227-L251 HydrophobicContact CB-CD2 3.97Å; A228-L251 HydrophobicContact CB-CG 4.33Å; D247-L251 WeakPolarHBondContact O-CG 3.37Å; D247-L251 PolarHBondContact O-N 2.91Å; D247-L251 VanDerWaalsContact O-N 3.1Å; E248-L251 PolarHBondContact O-N 3.23Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 3.07Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-L254 CarbonylContact O-C 3.51Å; L251-L254 PolarHBondContact O-N 3.44Å; L251-L254 VanDerWaalsContact O-N 3.11Å; L251-G255 PolarHBondContact O-N 3.3Å; L251-V256 HydrophobicContact CB-CB 4.08Å; L251-V256 HydrophobicContact CB-CG2 4.12Å; L251-V256 VanDerWaalsContact O-CB 3.29Å; L251-V256 WeakPolarHBondContact O-CB 3.41Å; L251-V256 WeakPolarHBondContact O-CG2 3.39Å; L251-V256 PolarHBondContact O-N 3.46Å; L251-F259 HydrophobicContact CB-CE1 3.81Å; L251-F259 HydrophobicContact CB-CZ 3.95Å; L251-F259 HydrophobicContact CD1-CE1 4.04Å; L251-Y262 HydrophobicContact CD1-CE2 4.04Å
252R96.6Very high96Very high124 Ų12452 Ų5247%0.46828%0.284SS..Hα-helixtrans-63-39172.3-75.8-179.1-171.9-69.20.4111.7E248 E249 L254 G255 F259E248-R252 HydrophobicContact CG-CG 4.42Å; E248-R252 WeakPolarHBondContact O-CB 3.23Å; E248-R252 VanDerWaalsContact O-CG 3.25Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.94Å; E248-R252 IonicContact OE1-CZ 3.62Å; E248-R252 IonicContact OE1-NE 3.54Å; E248-R252 PolarHBondContact OE1-NE 3.14Å; E248-R252 IonicContact OE1-NH2 2.73Å; E248-R252 PolarHBondContact OE1-NH2 2.86Å; E249-R252 PolarHBondContact O-N 3.18Å; R252-L254 PolarHBondContact O-N 3.44Å; R252-G255 PolarHBondContact O-N 2.99Å; R252-F259 HydrophobicContact CG-CE2 3.69Å; R252-F259 HydrophobicContact CG-CZ 3.69Å
253E94.4Very high95.9Very high119 Ų11951 Ų5156%0.55627%0.273SS*.Hα-helixtrans-57.6-29.8172.9-73.2174.1-168.800112.5R235 E249 V250 L251 G255R235-E253 IonicContact CZ-OE2 2.82Å; R235-E253 IonicContact NH1-OE2 2.85Å; R235-E253 IonicContact NH2-OE2 2.85Å; R235-E253 PolarHBondContact NH2-OE2 3.36Å; E249-E253 WeakPolarHBondContact O-CG 3.2Å; E249-E253 PolarHBondContact O-N 3.3Å; V250-E253 WeakPolarHBondContact O-CB 3.43Å; L251-E253 VanDerWaalsContact C-N 3.33Å; E253-G255 VanDerWaalsContact C-N 3.3Å
254L92.7Very high95.8Very high88 Ų8849.9 Ų49.946%0.46127%0.271SS..THydrogen-bonded Turntrans-88.48.8176.2-63.8-178.3000113.8M1 A231 V250 L251 R252M1-L254 HydrophobicContact CE-CD1 3.65Å; M1-L254 HydrophobicContact SD-CD1 3.73Å; A231-L254 HydrophobicContact CB-CD1 3.44Å; A231-L254 VanDerWaalsContact CB-CD1 3.44Å; V250-L254 PolarHBondContact O-N 3.09Å; L251-L254 CarbonylContact O-C 3.51Å; L251-L254 PolarHBondContact O-N 3.44Å; L251-L254 VanDerWaalsContact O-N 3.11Å; R252-L254 PolarHBondContact O-N 3.44Å
255G94.2Very high95.6Very high55 Ų5552.4 Ų52.457%0.56728%0.282SS*.THydrogen-bonded Turntrans82.311.6178.500000114.8L251 R252 E253 T257L251-G255 PolarHBondContact O-N 3.3Å; R252-G255 PolarHBondContact O-N 2.99Å; E253-G255 VanDerWaalsContact C-N 3.3Å; G255-T257 PolarHBondContact O-N 3.28Å
256V94.4Very high95.4Very high33 Ų3355.3 Ų55.320%0.230%0.303CS..  trans-71.4116.1171.6-177.30000108.8L251 D258 F259L251-V256 HydrophobicContact CB-CB 4.08Å; L251-V256 HydrophobicContact CB-CG2 4.12Å; L251-V256 VanDerWaalsContact O-CB 3.29Å; L251-V256 WeakPolarHBondContact O-CB 3.41Å; L251-V256 WeakPolarHBondContact O-CG2 3.39Å; L251-V256 PolarHBondContact O-N 3.46Å; V256-D258 WeakPolarHBondContact CG1-O 3.48Å; V256-F259 HydrophobicContact CB-CZ 4.09Å; V256-F259 HydrophobicContact CG1-CD1 4.5Å; V256-F259 HydrophobicContact CG1-CE1 4.04Å; V256-F259 HydrophobicContact CG1-CE2 4.13Å; V256-F259 HydrophobicContact CG1-CZ 3.83Å; V256-F259 VanDerWaalsContact O-CE2 3.28Å; V256-F259 WeakPolarHBondContact O-CE2 3.3Å
257T92.7Very high95Very high120 Ų12058.5 Ų58.574%0.73634%0.336SS*.  trans-106.6-31.7178.3550000112.7G255G255-T257 PolarHBondContact O-N 3.28Å
258D93.4Very high94.4Very high96 Ų9662 Ų6251%0.51335%0.353SS..  trans-95.8117.1177.6177.116.4000110.9V256 D260V256-D258 WeakPolarHBondContact CG1-O 3.48Å; D258-D260 WeakPolarHBondContact OD1-CB 3.06Å; D258-D260 PolarHBondContact OD1-N 2.93Å
259F95.9Very high94Very high13 Ų1366.2 Ų66.26%0.05738%0.382CS..  trans-108.3-0.7178.8-72.1-88000113.3I224 E248 L251 R252 V256 S261 Y262 A263I224-F259 HydrophobicContact CD1-CD1 3.94Å; I224-F259 HydrophobicContact CD1-CE1 4.3Å; E248-F259 HydrophobicContact CB-CE1 4.29Å; E248-F259 HydrophobicContact CG-CD1 4.01Å; E248-F259 HydrophobicContact CG-CD2 4.32Å; E248-F259 HydrophobicContact CG-CE1 3.6Å; E248-F259 HydrophobicContact CG-CE2 3.93Å; E248-F259 HydrophobicContact CG-CG 4.37Å; E248-F259 HydrophobicContact CG-CZ 3.55Å; L251-F259 HydrophobicContact CB-CE1 3.81Å; L251-F259 HydrophobicContact CB-CZ 3.95Å; L251-F259 HydrophobicContact CD1-CE1 4.04Å; R252-F259 HydrophobicContact CG-CE2 3.69Å; R252-F259 HydrophobicContact CG-CZ 3.69Å; V256-F259 HydrophobicContact CB-CZ 4.09Å; V256-F259 HydrophobicContact CG1-CD1 4.5Å; V256-F259 HydrophobicContact CG1-CE1 4.04Å; V256-F259 HydrophobicContact CG1-CE2 4.13Å; V256-F259 HydrophobicContact CG1-CZ 3.83Å; V256-F259 VanDerWaalsContact O-CE2 3.28Å; V256-F259 WeakPolarHBondContact O-CE2 3.3Å; F259-S261 PolarHBondContact O-N 3.27Å; F259-Y262 AromaticContact CD1-CD2 3.95Å; F259-Y262 HydrophobicContact CD1-CD2 3.95Å; F259-Y262 HydrophobicContact CD1-CE2 4.32Å; F259-Y262 WeakPolarHBondContact O-CB 3.34Å; F259-Y262 PolarHBondContact O-N 3.38Å; F259-A263 PolarHBondContact O-N 2.94Å
260D93.6Very high93.7Very high87 Ų8765.1 Ų65.147%0.46538%0.378SS..G310 helixtrans-64.4-32.2-177.8-82.9-12.3000111.5D258 Y262 A263 P266D258-D260 WeakPolarHBondContact OD1-CB 3.06Å; D258-D260 PolarHBondContact OD1-N 2.93Å; D260-Y262 PolarHBondContact O-N 3.25Å; D260-Y262 VanDerWaalsContact O-N 3.14Å; D260-A263 WeakPolarHBondContact O-CB 3.39Å; D260-A263 PolarHBondContact O-N 3.37Å; D260-P266 HydrophobicContact CB-CB 4.14Å
261S94.2Very high93.2Very high72 Ų7268 Ų6850%0.50339%0.392SS..G310 helixtrans-57.6-28174.165.20000113.6K221 F259K221-S261 PolarHBondContact NZ-O 3.41Å; F259-S261 PolarHBondContact O-N 3.27Å
262Y97.7Very high92.9Very high15 Ų1570 Ų706%0.05941%0.406CS..G310 helixtrans-87.3-14.5174.9-62.1-68.8000113.4M1 R220 K221 E223 I224 D227 L251 F259 D260M1-Y262 PolarHBondContact N-OH 3.43Å; R220-Y262 CarbonylContact C-O 3.54Å; R220-Y262 WeakPolarHBondContact CA-O 3.42Å; R220-Y262 WeakPolarHBondContact CB-O 3.35Å; K221-Y262 WeakPolarHBondContact CG-O 3.3Å; K221-Y262 PolarHBondContact N-O 3Å; E223-Y262 HydrophobicContact CB-CD1 4.24Å; E223-Y262 HydrophobicContact CB-CE1 4.24Å; I224-Y262 HydrophobicContact CB-CD1 3.58Å; I224-Y262 HydrophobicContact CB-CD2 4.35Å; I224-Y262 HydrophobicContact CB-CE1 4.1Å; I224-Y262 HydrophobicContact CB-CG 3.72Å; I224-Y262 HydrophobicContact CD1-CD2 4.17Å; I224-Y262 HydrophobicContact CD1-CG 4.2Å; I224-Y262 HydrophobicContact CG1-CD1 4.19Å; I224-Y262 HydrophobicContact CG1-CD2 4.09Å; I224-Y262 HydrophobicContact CG1-CE1 4.49Å; I224-Y262 HydrophobicContact CG1-CE2 4.41Å; I224-Y262 HydrophobicContact CG1-CG 3.98Å; D227-Y262 PolarHBondContact OD2-OH 2.96Å; L251-Y262 HydrophobicContact CD1-CE2 4.04Å; F259-Y262 AromaticContact CD1-CD2 3.95Å; F259-Y262 HydrophobicContact CD1-CD2 3.95Å; F259-Y262 HydrophobicContact CD1-CE2 4.32Å; F259-Y262 WeakPolarHBondContact O-CB 3.34Å; F259-Y262 PolarHBondContact O-N 3.38Å; D260-Y262 PolarHBondContact O-N 3.25Å; D260-Y262 VanDerWaalsContact O-N 3.14Å
263A96.8Very high92.7Very high3 Ų365.3 Ų65.33%0.02539%0.39CS..BIsolated β-bridgetrans-68.5140.9173.700000110.1K221 F259 D260 K265K221-A263 WeakPolarHBondContact CE-O 3.19Å; K221-A263 PolarHBondContact NZ-O 3.41Å; F259-A263 PolarHBondContact O-N 2.94Å; D260-A263 WeakPolarHBondContact O-CB 3.39Å; D260-A263 PolarHBondContact O-N 3.37Å; A263-K265 VanDerWaalsContact C-N 3.3Å
264V96Very high92.5Very high49 Ų4961.6 Ų61.630%0.29737%0.372SS..SBendtrans-65.4-40.8169.8172.40000109.9W202 A216 C219 K221W202-V264 HydrophobicContact CB-CG2 3.63Å; W202-V264 HydrophobicContact CG-CG2 4.07Å; A216-V264 HydrophobicContact CB-CG1 4.13Å; A216-V264 VanDerWaalsContact O-CB 3.22Å; A216-V264 WeakPolarHBondContact O-CB 3.3Å; A216-V264 WeakPolarHBondContact O-CG1 3.49Å; C219-V264 HydrophobicContact CB-CG2 4.34Å; C219-V264 WeakPolarHBondContact O-CB 3.46Å; C219-V264 WeakPolarHBondContact O-CG2 3.21Å; C219-V264 PolarHBondContact O-N 2.77Å; K221-V264 HydrophobicContact CG-CG2 3.96Å
265K94.4Very high92.6Very high104 Ų10457.5 Ų57.545%0.45235%0.35SS..SBendtrans-128.499.2172.4-166.2173.2179-163.10109.3A263 H268A263-K265 VanDerWaalsContact C-N 3.3Å; K265-H268 HydrophobicContact CB-CB 4.44Å; K265-H268 WeakPolarHBondContact CD-CD2 3.25Å; K265-H268 WeakPolarHBondContact CD-NE2 3.13Å; K265-H268 VanDerWaalsContact CE-CD2 3.49Å; K265-H268 WeakPolarHBondContact CE-CD2 3.47Å; K265-H268 WeakPolarHBondContact CE-NE2 3.36Å; K265-H268 PolarHBondContact NZ-NE2 3.06Å; K265-H268 WeakPolarHBondContact O-CB 3.36Å; K265-H268 PolarHBondContact O-N 2.83Å
266P93.7Very high92.5Very high76 Ų7655.6 Ų55.649%0.49433%0.327SS..THydrogen-bonded Turntrans-51.3143.8177.4-28.836000112.6D260 H268D260-P266 HydrophobicContact CB-CB 4.14Å; P266-H268 VanDerWaalsContact C-N 3.25Å; P266-H268 PolarHBondContact O-N 3.46Å
267G88.4Confident92Very high70 Ų7057.8 Ų57.872%0.72234%0.338SS*.THydrogen-bonded Turntrans77-6.5-178.600000116.3
268H87.3Confident90.7Very high75 Ų7557 Ų5735%0.34733%0.329SS..SBendtrans-82.9146.7173.2-90.4-106.7000112.4S217 K265 P266 L270S217-H268 WeakPolarHBondContact O-CB 3.45Å; K265-H268 HydrophobicContact CB-CB 4.44Å; K265-H268 WeakPolarHBondContact CD-CD2 3.25Å; K265-H268 WeakPolarHBondContact CD-NE2 3.13Å; K265-H268 VanDerWaalsContact CE-CD2 3.49Å; K265-H268 WeakPolarHBondContact CE-CD2 3.47Å; K265-H268 WeakPolarHBondContact CE-NE2 3.36Å; K265-H268 PolarHBondContact NZ-NE2 3.06Å; K265-H268 WeakPolarHBondContact O-CB 3.36Å; K265-H268 PolarHBondContact O-N 2.83Å; P266-H268 VanDerWaalsContact C-N 3.25Å; P266-H268 PolarHBondContact O-N 3.46Å; H268-L270 PolarHBondContact O-N 3.19Å
269P87.4Confident88.6Confident111 Ų11157.6 Ų57.672%0.72134%0.338SS*.PPolyproline II helixtrans-56.6130.5170.9-23.733.7000111.3A218A218-P269 WeakPolarHBondContact CA-O 3.46Å
270L90.8Very high85.4Confident57 Ų5765.7 Ų65.730%0.29837%0.374SS..PPolyproline II helixtrans-92.6142.8178.3-65.2172.7000110.7T199 A218 R220 H268T199-L270 HydrophobicContact CG2-CB 3.89Å; T199-L270 HydrophobicContact CG2-CD1 4.07Å; A218-L270 WeakPolarHBondContact O-CA 3.32Å; R220-L270 HydrophobicContact CG-CD1 3.96Å; R220-L270 HydrophobicContact CG-CD2 4.15Å; H268-L270 PolarHBondContact O-N 3.19Å
271Q86.5Confident82.2Confident62 Ų6267.5 Ų67.529%0.2939%0.39SS..PPolyproline II helixtrans-78.5120.1172.3175.363.360.700109.4T199 A200 A218 N387T199-Q271 CarbonylContact C-O 3.54Å; T199-Q271 WeakPolarHBondContact CA-O 3.47Å; T199-Q271 VanDerWaalsContact CB-O 3.28Å; T199-Q271 WeakPolarHBondContact CB-O 3.48Å; A200-Q271 HydrophobicContact CB-CB 4.03Å; A200-Q271 HydrophobicContact CB-CG 4.07Å; A200-Q271 PolarHBondContact N-O 3.15Å; A218-Q271 HydrophobicContact CB-CB 4.2Å; A218-Q271 PolarHBondContact O-N 2.87Å; Q271-N387 PolarHBondContact OE1-ND2 3.18Å
272S90.8Very high78.9Confident42 Ų4269.6 Ų69.629%0.29440%0.4SS..BIsolated β-bridgetrans-59141170.1-61.90000110.7D278S272-D278 WeakPolarHBondContact CB-OD1 3.34Å; S272-D278 PolarHBondContact OG-OD1 3.05Å
273D92.2Very high75.4Confident24 Ų2477.1 Ų77.113%0.12844%0.44CS..PPolyproline II helixtrans-79.2163.1175.4-157.66.7000111.5W196 P197 R198W196-D273 PolarHBondContact NE1-OD2 3.22Å; P197-D273 WeakPolarHBondContact CD-OD2 3.34Å; P197-D273 VanDerWaalsContact CG-OD2 3.25Å; P197-D273 WeakPolarHBondContact CG-OD2 3.26Å; P197-D273 WeakPolarHBondContact O-CB 3.36Å; R198-D273 PolarHBondContact O-N 3.49Å
274F89Confident72Confident42 Ų4282.2 Ų82.218%0.18447%0.471CS..THydrogen-bonded Turntrans-61154.4178.4-63.8-71.8000112.1L106 W160 W196 L276L106-F274 HydrophobicContact CD1-CE2 4.09Å; L106-F274 HydrophobicContact CD1-CZ 3.65Å; L106-F274 HydrophobicContact CD2-CZ 4.5Å; W160-F274 HydrophobicContact CZ3-CB 4.45Å; W160-F274 HydrophobicContact CZ3-CD1 4.18Å; W196-F274 PolarHBondContact NE1-O 2.88Å; F274-L276 PolarHBondContact O-N 3.34Å
275F94.8Very high68.5Low1 Ų191.9 Ų91.90%0.00450%0.502CS..THydrogen-bonded Turntrans75.2-5.3169.3-42.8-61.9000116.3P152 N155 W160 H164 Y167 T168 Y172 W196P152-F275 HydrophobicContact CB-CB 3.74Å; P152-F275 HydrophobicContact CB-CD2 3.59Å; P152-F275 HydrophobicContact CB-CG 3.95Å; P152-F275 HydrophobicContact CG-CB 4.29Å; P152-F275 HydrophobicContact CG-CD2 3.53Å; P152-F275 HydrophobicContact CG-CE2 4.06Å; P152-F275 HydrophobicContact CG-CG 4.01Å; N155-F275 WeakPolarHBondContact CB-O 3.25Å; N155-F275 PolarHBondContact ND2-O 2.85Å; N155-F275 VanDerWaalsContact ND2-O 3.12Å; W160-F275 HydrophobicContact CB-CD1 3.9Å; W160-F275 HydrophobicContact CB-CE1 4.3Å; W160-F275 HydrophobicContact CD2-CD1 4.13Å; W160-F275 VanDerWaalsContact CE2-CA 3.49Å; W160-F275 HydrophobicContact CE3-CD1 4.17Å; W160-F275 HydrophobicContact CG-CD1 4.01Å; H164-F275 AromaticContact CE1-CE1 3.94Å; Y167-F275 HydrophobicContact CD1-CZ 4.03Å; Y167-F275 AromaticContact CE1-CE2 3.95Å; Y167-F275 HydrophobicContact CE1-CE2 3.95Å; Y167-F275 AromaticContact CE1-CZ 3.75Å; Y167-F275 HydrophobicContact CE1-CZ 3.75Å; T168-F275 HydrophobicContact CG2-CE1 3.85Å; Y172-F275 HydrophobicContact CE1-CB 4.32Å; Y172-F275 AromaticContact CE1-CD1 3.65Å; Y172-F275 HydrophobicContact CE1-CD1 3.65Å; Y172-F275 HydrophobicContact CE1-CD2 4.39Å; Y172-F275 AromaticContact CE1-CE1 4Å; Y172-F275 HydrophobicContact CE1-CE1 4Å; Y172-F275 AromaticContact CE1-CG 3.85Å; Y172-F275 HydrophobicContact CE1-CG 3.85Å; Y172-F275 HydrophobicContact CE1-CZ 4.48Å; W196-F275 AromaticContact CZ2-CD2 3.88Å; W196-F275 HydrophobicContact CZ2-CD2 3.88Å; W196-F275 HydrophobicContact CZ2-CE2 4.03Å
276L92.5Very high65.3Low16 Ų1698.2 Ų98.28%0.08452%0.523CS..PPolyproline II helixtrans-97.3132.9176.1-57.7-178.2000110.2P153 W160 P197 V246 F274 D278P153-L276 HydrophobicContact CG-CD2 3.97Å; W160-L276 VanDerWaalsContact CZ2-O 3.24Å; W160-L276 WeakPolarHBondContact CZ2-O 3.15Å; P197-L276 WeakPolarHBondContact O-CD1 3.13Å; V246-L276 HydrophobicContact CG1-CD1 4.11Å; V246-L276 HydrophobicContact CG2-CD1 4.27Å; V246-L276 HydrophobicContact CG2-CD2 3.94Å; F274-L276 PolarHBondContact O-N 3.34Å; L276-D278 PolarHBondContact O-N 3.5Å
277D84Confident62Low78 Ų78100.1 Ų100.142%0.41754%0.538SS..PPolyproline II helixtrans-71.5124.9168.4-64.1-36.7000108.3N155 K157N155-D277 PolarHBondContact ND2-OD1 3.2Å; K157-D277 WeakPolarHBondContact CD-OD1 3.32Å; K157-D277 WeakPolarHBondContact CE-OD2 3.24Å; K157-D277 IonicContact NZ-OD1 2.71Å; K157-D277 PolarHBondContact NZ-OD1 2.84Å; K157-D277 IonicContact NZ-OD2 3.24Å; K157-D277 PolarHBondContact NZ-OD2 3.36Å
278D66Low59.1Low103 Ų103101.7 Ų101.755%0.55154%0.544SS*.PPolyproline II helixtrans-57.2138.2169.2-78.8-37.3000108.7S272 L276 K280S272-D278 WeakPolarHBondContact CB-OD1 3.34Å; S272-D278 PolarHBondContact OG-OD1 3.05Å; L276-D278 PolarHBondContact O-N 3.5Å; D278-K280 PolarHBondContact O-N 3.38Å
279P49.4Very low56.1Low110 Ų110102 Ų10271%0.71457%0.568SS**  trans-57.6115.4169.223.1-28.9000106.9
280K28.7Very low53.2Low183 Ų183101.5 Ų101.580%0.79657%0.574SS**  trans-43.6137.2178-73.3-179.4178.9177.80108.8D278 T282D278-K280 PolarHBondContact O-N 3.38Å; K280-T282 PolarHBondContact O-N 3.32Å; K280-T282 PolarHBondContact O-OG1 3.37Å
281P26.1Very low50.1Low124 Ų124102.4 Ų102.481%0.80560%0.596SS**  trans-58.1106.8174.423.6-30.1000107L283P281-L283 PolarHBondContact O-N 3.39Å
282T24.1Very low47.4Very low116 Ų116107.6 Ų107.671%0.71263%0.625SS**  trans-73.5105.2176.7-24.90000104K280 T284K280-T282 PolarHBondContact O-N 3.32Å; K280-T282 PolarHBondContact O-OG1 3.37Å; T282-T284 PolarHBondContact O-N 2.94Å; T282-T284 PolarHBondContact O-OG1 3.25Å
283L25.2Very low44.2Very low174 Ų174113.8 Ų113.891%0.91166%0.655SS**  trans-59.776.1167.2-82.3161.9000108.3P281 R285P281-L283 PolarHBondContact O-N 3.39Å; L283-R285 PolarHBondContact O-N 2.93Å
284T24.7Very low41.2Very low110 Ų110116.8 Ų116.868%0.67568%0.683SS**  trans-80.898.4164.9370000105.7T282 R286T282-T284 PolarHBondContact O-N 2.94Å; T282-T284 PolarHBondContact O-OG1 3.25Å; T284-R286 VanDerWaalsContact C-N 3.3Å; T284-R286 PolarHBondContact O-N 3.12Å
285R23.5Very low38.3Very low251 Ų251123.7 Ų123.795%0.94772%0.716SS**  trans-49.4100.6156.6-86.8178170.4164.3-3.3107.4L283L283-R285 PolarHBondContact O-N 2.93Å
286R26.3Very low35.5Very low238 Ų238128.3 Ų128.390%0.89876%0.755SS**  trans-104.5107.3155.6-88-171.5169.3-171.6-2107.7T284T284-R286 VanDerWaalsContact C-N 3.3Å; T284-R286 PolarHBondContact O-N 3.12Å
287S24.7Very low33.6Very low115 Ų115133 Ų13380%0.80478%0.784SS**  trans-61.2131.7164.645.70000110.6
288A26.9Very low33.6Very low103 Ų103133.7 Ų133.785%0.85179%0.788SS**SBendtrans62.1117.6151.800000120
289G25.2Very low34.7Very low82 Ų82130.6 Ų130.685%0.84577%0.772SS**  trans103.984.5131.700000117.1
290A26.2Very low36.5Very low101 Ų101127.8 Ų127.884%0.83575%0.753SS**  trans177.8124134.500000108.4
291G25.9Very low39.4Very low75 Ų75125.4 Ų125.477%0.77374%0.743SS**  trans-62.6135.4-174.700000113.4
292L28.5Very low42.6Very low171 Ų171121.5 Ų121.590%0.89571%0.714SS**  trans-133102.8149.7-78.7170.2000106.4A294L292-A294 PolarHBondContact O-N 2.91Å
293N24.8Very low45.8Very low173 Ų173116 Ų11693%0.92568%0.68SS**  trans-65.388.1162.6-73.1-20.8000107.6
294A28.5Very low49.1Very low87 Ų87112.6 Ų112.672%0.71966%0.656SS**  trans-100.3109.4147.200000104.6L292 A296L292-A294 PolarHBondContact O-N 2.91Å; A294-A296 PolarHBondContact O-N 2.95Å
295E28.7Very low52.3Low186 Ų186110.6 Ų110.687%0.86964%0.641SS**  trans-54.3108.5172.2-74.9-179.9153.200107.8T297E295-T297 VanDerWaalsContact C-N 3.35Å; E295-T297 PolarHBondContact O-N 2.78Å
296A34.8Very low55.6Low99 Ų9998.8 Ų98.882%0.81860%0.597SS**  trans-62.1103.716700000106.3A294 D298A294-A296 PolarHBondContact O-N 2.95Å; A296-D298 PolarHBondContact O-N 3.39Å
297T54.6Low58.9Low114 Ų11487.6 Ų87.670%0.69956%0.555SS**  trans-57.6120.5177.1-60000108E295 V299E295-T297 VanDerWaalsContact C-N 3.35Å; E295-T297 PolarHBondContact O-N 2.78Å; T297-V299 PolarHBondContact O-N 3.31Å
298D83.5Confident62.1Low93 Ų9384.4 Ų84.450%0.49754%0.535SS..  trans-63.799.9177.5178.30.5000109.4A296 T300 K301 E302A296-D298 PolarHBondContact O-N 3.39Å; D298-T300 PolarHBondContact O-N 3.12Å; D298-T300 VanDerWaalsContact O-N 3.15Å; D298-T300 WeakPolarHBondContact OD1-CB 3.47Å; D298-T300 PolarHBondContact OD1-N 3.21Å; D298-T300 PolarHBondContact OD1-OG1 3.41Å; D298-K301 HydrophobicContact CB-CB 3.96Å; D298-K301 WeakPolarHBondContact O-CB 3.33Å; D298-K301 PolarHBondContact O-N 3.02Å; D298-K301 PolarHBondContact OD1-N 3.22Å; D298-E302 PolarHBondContact O-N 2.92Å
299V87.6Confident65.1Low37 Ų3783.4 Ų83.422%0.22451%0.509CS..Hα-helixtrans-55.1-31.6-178.6178.60000111.4T297 T303 L333 G368 E369 V372T297-V299 PolarHBondContact O-N 3.31Å; V299-T303 WeakPolarHBondContact O-CB 3.32Å; V299-T303 PolarHBondContact O-N 2.58Å; V299-T303 PolarHBondContact O-OG1 3.38Å; V299-L333 HydrophobicContact CB-CD2 4.49Å; V299-L333 HydrophobicContact CG1-CD1 4.47Å; V299-L333 HydrophobicContact CG1-CD2 4.13Å; V299-G368 VanDerWaalsContact CG1-CA 3.49Å; V299-E369 HydrophobicContact CG2-CG 4.29Å; V299-V372 HydrophobicContact CG1-CG2 4.01Å
300T87.7Confident68.3Low52 Ų5279.8 Ų79.832%0.31947%0.47SS..Hα-helixtrans-65.3-53.2176.5-45.70000109.9D298 E302 T303 Y304D298-T300 PolarHBondContact O-N 3.12Å; D298-T300 VanDerWaalsContact O-N 3.15Å; D298-T300 WeakPolarHBondContact OD1-CB 3.47Å; D298-T300 PolarHBondContact OD1-N 3.21Å; D298-T300 PolarHBondContact OD1-OG1 3.41Å; T300-E302 VanDerWaalsContact C-N 3.28Å; T300-E302 PolarHBondContact O-N 3Å; T300-T303 WeakPolarHBondContact O-CB 3.38Å; T300-T303 PolarHBondContact O-N 3.3Å; T300-T303 VanDerWaalsContact O-N 3.14Å; T300-Y304 HydrophobicContact CG2-CD2 4.24Å; T300-Y304 HydrophobicContact CG2-CE2 4.03Å; T300-Y304 WeakPolarHBondContact O-CD2 3.31Å; T300-Y304 PolarHBondContact O-N 3.04Å; T300-Y304 VanDerWaalsContact O-N 3.08Å
301K89.8Confident71.4Confident133 Ų13382.4 Ų82.458%0.57846%0.459SS*.Hα-helixtrans-57.6-42.9177.7-174.1-179.8179.9-1770111.5D298 T303 Y304 N305D298-K301 HydrophobicContact CB-CB 3.96Å; D298-K301 WeakPolarHBondContact O-CB 3.33Å; D298-K301 PolarHBondContact O-N 3.02Å; D298-K301 PolarHBondContact OD1-N 3.22Å; K301-T303 VanDerWaalsContact C-N 3.33Å; K301-T303 PolarHBondContact O-N 3.09Å; K301-Y304 PolarHBondContact O-N 2.93Å; K301-N305 VanDerWaalsContact O-CG 3.28Å; K301-N305 PolarHBondContact O-N 3.01Å; K301-N305 PolarHBondContact O-ND2 3.14Å
302E92.5Very high74.5Confident42 Ų4286.7 Ų86.720%0.19646%0.459CS..Hα-helixtrans-66.5-35.7179.3-166.959.7-167.600112.4D298 T300 N305 I306 R309 V372 N376D298-E302 PolarHBondContact O-N 2.92Å; T300-E302 VanDerWaalsContact C-N 3.28Å; T300-E302 PolarHBondContact O-N 3Å; E302-N305 WeakPolarHBondContact O-CB 3.41Å; E302-N305 PolarHBondContact O-N 3.08Å; E302-N305 PolarHBondContact OE2-ND2 3.35Å; E302-I306 HydrophobicContact CG-CD1 4.4Å; E302-I306 WeakPolarHBondContact O-CD1 3.34Å; E302-I306 VanDerWaalsContact O-CG1 3.3Å; E302-I306 WeakPolarHBondContact O-CG1 3.38Å; E302-I306 PolarHBondContact O-N 3.05Å; E302-R309 IonicContact OE1-NH2 3.37Å; E302-V372 HydrophobicContact CB-CG1 4.44Å; E302-V372 HydrophobicContact CB-CG2 3.99Å; E302-V372 HydrophobicContact CG-CB 4.38Å; E302-V372 HydrophobicContact CG-CG1 3.57Å; E302-V372 HydrophobicContact CG-CG2 3.86Å; E302-N376 PolarHBondContact OE1-ND2 2.82Å; E302-N376 VanDerWaalsContact OE1-ND2 3.15Å
303T93Very high77.3Confident0 Ų082 Ų820%043%0.432CS..Hα-helixtrans-62.6-45.3173-60.20000111.5V299 T300 K301 N305 I306 F307 I330 L333 W338 F371V299-T303 WeakPolarHBondContact O-CB 3.32Å; V299-T303 PolarHBondContact O-N 2.58Å; V299-T303 PolarHBondContact O-OG1 3.38Å; T300-T303 WeakPolarHBondContact O-CB 3.38Å; T300-T303 PolarHBondContact O-N 3.3Å; T300-T303 VanDerWaalsContact O-N 3.14Å; K301-T303 VanDerWaalsContact C-N 3.33Å; K301-T303 PolarHBondContact O-N 3.09Å; T303-N305 VanDerWaalsContact C-N 3.33Å; T303-N305 PolarHBondContact O-N 3.29Å; T303-I306 WeakPolarHBondContact O-CB 3.48Å; T303-I306 PolarHBondContact O-N 2.9Å; T303-F307 HydrophobicContact CG2-CD2 4.14Å; T303-F307 HydrophobicContact CG2-CE2 4.23Å; T303-F307 WeakPolarHBondContact O-CD2 3.23Å; T303-F307 PolarHBondContact O-N 3.23Å; T303-F307 VanDerWaalsContact O-N 3.08Å; T303-I330 HydrophobicContact CG2-CD1 3.79Å; T303-L333 HydrophobicContact CG2-CD1 4.01Å; T303-L333 VanDerWaalsContact OG1-CD1 3.31Å; T303-L333 WeakPolarHBondContact OG1-CD1 3.45Å; T303-W338 HydrophobicContact CG2-CD2 4.15Å; T303-W338 HydrophobicContact CG2-CH2 4.24Å; T303-W338 HydrophobicContact CG2-CZ2 3.76Å; T303-F371 HydrophobicContact CG2-CD1 4.2Å; T303-F371 HydrophobicContact CG2-CE1 3.84Å
304Y93.3Very high80.4Confident103 Ų10375.4 Ų75.440%0.40440%0.397SS..Hα-helixtrans-59.6-42.5173.1-83.5-85.2000112T300 K301 I306 F307 A308 P335 W338 E350T300-Y304 HydrophobicContact CG2-CD2 4.24Å; T300-Y304 HydrophobicContact CG2-CE2 4.03Å; T300-Y304 WeakPolarHBondContact O-CD2 3.31Å; T300-Y304 PolarHBondContact O-N 3.04Å; T300-Y304 VanDerWaalsContact O-N 3.08Å; K301-Y304 PolarHBondContact O-N 2.93Å; Y304-I306 VanDerWaalsContact C-N 3.34Å; Y304-I306 PolarHBondContact O-N 3.18Å; Y304-F307 PolarHBondContact O-N 2.86Å; Y304-A308 WeakPolarHBondContact O-CB 3.34Å; Y304-A308 PolarHBondContact O-N 3.49Å; Y304-P335 WeakPolarHBondContact OH-CD 3.24Å; Y304-W338 AromaticContact CD1-CH2 3.56Å; Y304-W338 HydrophobicContact CD1-CH2 3.56Å; Y304-W338 HydrophobicContact CD1-CZ3 4.29Å; Y304-W338 AromaticContact CD2-CH2 3.9Å; Y304-W338 HydrophobicContact CD2-CH2 3.9Å; Y304-W338 HydrophobicContact CD2-CZ2 4.2Å; Y304-W338 AromaticContact CE1-CH2 3.5Å; Y304-W338 HydrophobicContact CE1-CH2 3.5Å; Y304-W338 HydrophobicContact CE1-CZ2 4.26Å; Y304-W338 HydrophobicContact CE1-CZ3 4.35Å; Y304-W338 AromaticContact CE2-CH2 3.85Å; Y304-W338 HydrophobicContact CE2-CH2 3.85Å; Y304-W338 AromaticContact CE2-CZ2 3.91Å; Y304-W338 HydrophobicContact CE2-CZ2 3.91Å; Y304-W338 AromaticContact CG-CH2 3.73Å; Y304-W338 HydrophobicContact CG-CH2 3.73Å; Y304-W338 HydrophobicContact CG-CZ2 4.48Å; Y304-W338 AromaticContact CZ-CH2 3.64Å; Y304-W338 AromaticContact CZ-CZ2 3.92Å; Y304-E350 PolarHBondContact OH-OE2 2.75Å
305N92.7Very high83.4Confident68 Ų6874.9 Ų74.936%0.36438%0.384SS..Hα-helixtrans-61.8-40.5176.6-67.6-22.7000112.2K301 E302 T303 A308 R309K301-N305 VanDerWaalsContact O-CG 3.28Å; K301-N305 PolarHBondContact O-N 3.01Å; K301-N305 PolarHBondContact O-ND2 3.14Å; E302-N305 WeakPolarHBondContact O-CB 3.41Å; E302-N305 PolarHBondContact O-N 3.08Å; E302-N305 PolarHBondContact OE2-ND2 3.35Å; T303-N305 VanDerWaalsContact C-N 3.33Å; T303-N305 PolarHBondContact O-N 3.29Å; N305-A308 PolarHBondContact O-N 3.45Å; N305-R309 WeakPolarHBondContact O-CG 3.26Å; N305-R309 PolarHBondContact O-N 3.08Å
306I93.5Very high86.3Confident3 Ų371.2 Ų71.22%0.01538%0.379CS..Hα-helixtrans-60.1-47.6175.2-72.5159.5000110.5E302 T303 Y304 R309 L310 F371 V372 F375E302-I306 HydrophobicContact CG-CD1 4.4Å; E302-I306 WeakPolarHBondContact O-CD1 3.34Å; E302-I306 VanDerWaalsContact O-CG1 3.3Å; E302-I306 WeakPolarHBondContact O-CG1 3.38Å; E302-I306 PolarHBondContact O-N 3.05Å; T303-I306 WeakPolarHBondContact O-CB 3.48Å; T303-I306 PolarHBondContact O-N 2.9Å; Y304-I306 VanDerWaalsContact C-N 3.34Å; Y304-I306 PolarHBondContact O-N 3.18Å; I306-R309 PolarHBondContact O-N 3.3Å; I306-L310 HydrophobicContact CG2-CD1 4.08Å; I306-L310 WeakPolarHBondContact O-CG 3.42Å; I306-L310 PolarHBondContact O-N 3.16Å; I306-F371 HydrophobicContact CB-CE1 4.25Å; I306-F371 HydrophobicContact CD1-CD1 4.09Å; I306-F371 HydrophobicContact CD1-CE1 3.76Å; I306-F371 HydrophobicContact CG2-CE1 3.91Å; I306-F371 HydrophobicContact CG2-CZ 4.03Å; I306-V372 HydrophobicContact CD1-CB 4.42Å; I306-V372 HydrophobicContact CD1-CG2 4.08Å; I306-F375 HydrophobicContact CD1-CB 3.73Å; I306-F375 HydrophobicContact CD1-CG 4.48Å; I306-F375 HydrophobicContact CG1-CB 3.99Å; I306-F375 HydrophobicContact CG2-CB 3.77Å; I306-F375 HydrophobicContact CG2-CD1 3.45Å; I306-F375 VanDerWaalsContact CG2-CD1 3.45Å; I306-F375 HydrophobicContact CG2-CD2 4.37Å; I306-F375 HydrophobicContact CG2-CE1 4.13Å; I306-F375 HydrophobicContact CG2-CG 3.59Å
307F94.1Very high88.9Confident3 Ų371.6 Ų71.61%0.01336%0.364CS..Hα-helixtrans-71-29.1179.5-83.1-81.7000113.9T303 Y304 L310 R311 F328 W338 Y339 C348 F371T303-F307 HydrophobicContact CG2-CD2 4.14Å; T303-F307 HydrophobicContact CG2-CE2 4.23Å; T303-F307 WeakPolarHBondContact O-CD2 3.23Å; T303-F307 PolarHBondContact O-N 3.23Å; T303-F307 VanDerWaalsContact O-N 3.08Å; Y304-F307 PolarHBondContact O-N 2.86Å; F307-L310 HydrophobicContact CD1-CD1 3.8Å; F307-L310 HydrophobicContact CE1-CD1 3.87Å; F307-L310 HydrophobicContact CG-CD1 4.26Å; F307-L310 HydrophobicContact CZ-CD1 4.39Å; F307-R311 WeakPolarHBondContact O-CB 3.43Å; F307-R311 PolarHBondContact O-N 3.4Å; F307-F328 AromaticContact CZ-CD2 3.96Å; F307-F328 HydrophobicContact CZ-CD2 3.96Å; F307-F328 HydrophobicContact CZ-CE2 4.42Å; F307-W338 HydrophobicContact CB-CE3 4.01Å; F307-W338 HydrophobicContact CB-CZ3 3.74Å; F307-W338 AromaticContact CD1-CE3 3.96Å; F307-W338 HydrophobicContact CD1-CE3 3.96Å; F307-W338 HydrophobicContact CD2-CB 4.36Å; F307-W338 AromaticContact CD2-CD2 3.71Å; F307-W338 HydrophobicContact CD2-CD2 3.71Å; F307-W338 AromaticContact CD2-CE3 3.09Å; F307-W338 HydrophobicContact CD2-CE3 3.09Å; F307-W338 HydrophobicContact CD2-CG 4.26Å; F307-W338 HydrophobicContact CD2-CH2 4.4Å; F307-W338 AromaticContact CD2-CZ3 3.51Å; F307-W338 HydrophobicContact CD2-CZ3 3.51Å; F307-W338 HydrophobicContact CE1-CB 4.02Å; F307-W338 HydrophobicContact CE1-CE3 4.25Å; F307-W338 HydrophobicContact CE2-CB 3.46Å; F307-W338 VanDerWaalsContact CE2-CB 3.46Å; F307-W338 AromaticContact CE2-CD2 3.6Å; F307-W338 HydrophobicContact CE2-CD2 3.6Å; F307-W338 AromaticContact CE2-CE3 3.43Å; F307-W338 HydrophobicContact CE2-CE3 3.43Å; F307-W338 VanDerWaalsContact CE2-CE3 3.43Å; F307-W338 AromaticContact CE2-CG 3.65Å; F307-W338 HydrophobicContact CE2-CG 3.65Å; F307-W338 HydrophobicContact CE2-CZ3 4.27Å; F307-W338 HydrophobicContact CG-CD2 4.39Å; F307-W338 AromaticContact CG-CE3 3.4Å; F307-W338 HydrophobicContact CG-CE3 3.4Å; F307-W338 AromaticContact CG-CZ3 3.67Å; F307-W338 HydrophobicContact CG-CZ3 3.67Å; F307-W338 HydrophobicContact CZ-CB 3.28Å; F307-W338 HydrophobicContact CZ-CD2 4.25Å; F307-W338 HydrophobicContact CZ-CE3 4.03Å; F307-W338 HydrophobicContact CZ-CG 4.01Å; F307-Y339 WeakPolarHBondContact CE1-O 3.41Å; F307-C348 HydrophobicContact CD1-CB 3.9Å; F307-C348 HydrophobicContact CE1-CB 4.21Å; F307-F371 HydrophobicContact CD2-CZ 4.24Å; F307-F371 HydrophobicContact CE2-CE1 4.05Å; F307-F371 HydrophobicContact CE2-CE2 4.2Å; F307-F371 AromaticContact CE2-CZ 3.39Å; F307-F371 HydrophobicContact CE2-CZ 3.39Å; F307-F371 HydrophobicContact CZ-CE2 4.44Å; F307-F371 AromaticContact CZ-CZ 3.95Å; F307-F371 HydrophobicContact CZ-CZ 3.95Å
308A91.5Very high90.5Very high48 Ų4868 Ų6840%0.39734%0.34SS..Hα-helixtrans-63.3-48.7169.700000111.2Y304 N305 L310 R311 E312Y304-A308 WeakPolarHBondContact O-CB 3.34Å; Y304-A308 PolarHBondContact O-N 3.49Å; N305-A308 PolarHBondContact O-N 3.45Å; A308-L310 PolarHBondContact O-N 3.22Å; A308-R311 WeakPolarHBondContact O-CB 3.49Å; A308-R311 PolarHBondContact O-N 3.43Å; A308-E312 PolarHBondContact O-N 3.04Å
309R91.6Very high90.8Very high82 Ų8264.1 Ų64.131%0.30932%0.32SS..Hα-helixtrans-59.8-43.8175-72.7-176-70.9168.1-6.8112.2E302 N305 I306 R311 E312 Q313 N376E302-R309 IonicContact OE1-NH2 3.37Å; N305-R309 WeakPolarHBondContact O-CG 3.26Å; N305-R309 PolarHBondContact O-N 3.08Å; I306-R309 PolarHBondContact O-N 3.3Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.43Å; R309-E312 PolarHBondContact O-N 3.27Å; R309-Q313 WeakPolarHBondContact O-CG 3.5Å; R309-Q313 PolarHBondContact O-N 2.9Å; R309-N376 PolarHBondContact NH2-OD1 3.21Å
310L91.8Very high90.9Very high5 Ų567.6 Ų67.63%0.02633%0.334CS..Hα-helixtrans-56.4-47.6175.4-80.5168.4000110.9I306 F307 A308 E312 Q313 I314 L340 F375 L405 L409I306-L310 HydrophobicContact CG2-CD1 4.08Å; I306-L310 WeakPolarHBondContact O-CG 3.42Å; I306-L310 PolarHBondContact O-N 3.16Å; F307-L310 HydrophobicContact CD1-CD1 3.8Å; F307-L310 HydrophobicContact CE1-CD1 3.87Å; F307-L310 HydrophobicContact CG-CD1 4.26Å; F307-L310 HydrophobicContact CZ-CD1 4.39Å; A308-L310 PolarHBondContact O-N 3.22Å; L310-E312 VanDerWaalsContact C-N 3.28Å; L310-E312 PolarHBondContact O-N 3.04Å; L310-Q313 PolarHBondContact O-N 2.95Å; L310-I314 WeakPolarHBondContact O-CG1 3.23Å; L310-I314 PolarHBondContact O-N 2.98Å; L310-I314 VanDerWaalsContact O-N 3.12Å; L310-L340 HydrophobicContact CD2-CD2 4.15Å; L310-F375 HydrophobicContact CD1-CD1 4.42Å; L310-F375 HydrophobicContact CD1-CE1 3.83Å; L310-F375 HydrophobicContact CD2-CE1 4.24Å; L310-F375 HydrophobicContact CG-CE1 4.41Å; L310-L405 HydrophobicContact CD2-CD2 3.97Å; L310-L409 HydrophobicContact CD2-CD1 3.56Å; L310-L409 HydrophobicContact CD2-CD2 3.91Å; L310-L409 HydrophobicContact CD2-CG 4.33Å; L310-L409 HydrophobicContact CG-CD1 4.47Å; L310-L409 HydrophobicContact CG-CD2 4.37Å
311R92Very high91Very high157 Ų15770.8 Ų70.859%0.59235%0.345SS*.Hα-helixtrans-58.3-39.6-178.9-169.5177.4-63.1170.70.5112.8F307 A308 R309 Q313 C348F307-R311 WeakPolarHBondContact O-CB 3.43Å; F307-R311 PolarHBondContact O-N 3.4Å; A308-R311 WeakPolarHBondContact O-CB 3.49Å; A308-R311 PolarHBondContact O-N 3.43Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.43Å; R311-Q313 VanDerWaalsContact C-N 3.31Å; R311-C348 PolarHBondContact NH2-O 3.26Å
312E89.8Confident91Very high165 Ų16564.9 Ų64.977%0.77132%0.32SS*.Hα-helixtrans-70.7-26177.7-67.9176.7179.400113.1A308 R309 L310A308-E312 PolarHBondContact O-N 3.04Å; R309-E312 PolarHBondContact O-N 3.27Å; L310-E312 VanDerWaalsContact C-N 3.28Å; L310-E312 PolarHBondContact O-N 3.04Å
313Q88Confident91Very high73 Ų7368.4 Ų68.434%0.34134%0.335SS..Hα-helixtrans-93.6-6.8-179.1-67-168.28.400114.3R309 L310 R311 T315 L409R309-Q313 WeakPolarHBondContact O-CG 3.5Å; R309-Q313 PolarHBondContact O-N 2.9Å; L310-Q313 PolarHBondContact O-N 2.95Å; R311-Q313 VanDerWaalsContact C-N 3.31Å; Q313-T315 PolarHBondContact O-N 3.45Å; Q313-L409 VanDerWaalsContact CD-CD2 3.47Å; Q313-L409 HydrophobicContact CG-CD2 4.41Å
314I90.1Very high91Very high34 Ų3468.5 Ų68.517%0.17434%0.335CS..  trans-67.1117.9175-70.1170.6000109.1L310 V319 L340 L342 C348L310-I314 WeakPolarHBondContact O-CG1 3.23Å; L310-I314 PolarHBondContact O-N 2.98Å; L310-I314 VanDerWaalsContact O-N 3.12Å; I314-V319 HydrophobicContact CG2-CG2 4.26Å; I314-L340 HydrophobicContact CD1-CD1 4.03Å; I314-L340 HydrophobicContact CG1-CD1 4.42Å; I314-L342 HydrophobicContact CG1-CD2 4.05Å; I314-L342 HydrophobicContact CG2-CD2 4.27Å; I314-C348 HydrophobicContact CD1-CB 4.15Å
315T89.9Confident91.1Very high75 Ų7563.6 Ų63.646%0.4632%0.316SS..  trans-128.7157.9175.760.40000110.2Q313 E317 L318 V319Q313-T315 PolarHBondContact O-N 3.45Å; T315-E317 PolarHBondContact O-N 3.24Å; T315-L318 WeakPolarHBondContact O-CB 3.48Å; T315-L318 PolarHBondContact O-N 2.9Å; T315-L318 PolarHBondContact OG1-N 3.08Å; T315-V319 WeakPolarHBondContact O-CG2 3.3Å; T315-V319 PolarHBondContact O-N 3.07Å
316S90Very high91.2Very high109 Ų10960.3 Ų60.376%0.76230%0.299SS*.Hα-helixtrans-55.9-34176-40.50000112.4H320S316-H320 WeakPolarHBondContact O-CB 3.49Å; S316-H320 PolarHBondContact O-N 3.19Å
317E89.7Confident91.4Very high108 Ų10860.5 Ų60.551%0.50530%0.299SS..Hα-helixtrans-66.6-45.9175.5-175.959.5-159.600111.5T315 V319 H320 Q321T315-E317 PolarHBondContact O-N 3.24Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.09Å; E317-H320 PolarHBondContact O-N 3.22Å; E317-Q321 HydrophobicContact CG-CG 4.48Å; E317-Q321 WeakPolarHBondContact O-CB 3.49Å; E317-Q321 VanDerWaalsContact O-CG 3.31Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.28Å; E317-Q321 PolarHBondContact OE1-NE2 3.28Å
318L87.9Confident91.5Very high37 Ų3760.4 Ų60.419%0.19430%0.299CS..Hα-helixtrans-61.7-41.1178.2-174.962.4000111.8T315 Q321 T322 L342 L405T315-L318 WeakPolarHBondContact O-CB 3.48Å; T315-L318 PolarHBondContact O-N 2.9Å; T315-L318 PolarHBondContact OG1-N 3.08Å; L318-Q321 PolarHBondContact O-N 2.97Å; L318-T322 VanDerWaalsContact O-CB 3.25Å; L318-T322 WeakPolarHBondContact O-CB 3.42Å; L318-T322 PolarHBondContact O-N 3.01Å; L318-T322 PolarHBondContact O-OG1 3.09Å; L318-L342 HydrophobicContact CD2-CD1 4.37Å; L318-L342 HydrophobicContact CD2-CD2 4.25Å; L318-L342 HydrophobicContact CG-CD1 4.3Å; L318-L342 HydrophobicContact CG-CD2 4.3Å; L318-L405 HydrophobicContact CD1-CD1 3.9Å; L318-L405 HydrophobicContact CD1-CG 4.49Å; L318-L405 HydrophobicContact CD2-CD1 4.12Å; L318-L405 HydrophobicContact CG-CD1 4.24Å
319V90.7Very high91.7Very high12 Ų1259.1 Ų59.17%0.07329%0.285CS..Hα-helixtrans-61.5-49.2174.6175.80000110.1I314 T315 E317 Q321 T322 K323 L342 T344I314-V319 HydrophobicContact CG2-CG2 4.26Å; T315-V319 WeakPolarHBondContact O-CG2 3.3Å; T315-V319 PolarHBondContact O-N 3.07Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.09Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 3.49Å; V319-T322 PolarHBondContact O-N 3.44Å; V319-K323 PolarHBondContact O-N 2.68Å; V319-L342 HydrophobicContact CG2-CD2 3.89Å; V319-L342 VanDerWaalsContact O-O 3.13Å; V319-T344 WeakPolarHBondContact CG1-O 3.49Å
320H89.4Confident91.9Very high111 Ų11155.2 Ų55.251%0.51427%0.271SS..Hα-helixtrans-64.4-33.7179.8-175.8-94.3000113.3S316 E317 K323S316-H320 WeakPolarHBondContact O-CB 3.49Å; S316-H320 PolarHBondContact O-N 3.19Å; E317-H320 PolarHBondContact O-N 3.22Å; H320-K323 PolarHBondContact NE2-NZ 2.77Å; H320-K323 VanDerWaalsContact NE2-NZ 3.2Å; H320-K323 WeakPolarHBondContact O-CE 3.38Å; H320-K323 WeakPolarHBondContact O-CG 3.42Å
321Q88.7Confident91.8Very high119 Ų11959.5 Ų59.556%0.55630%0.297SS*.Hα-helixtrans-75.7-36176.8-70.8-178.75.300112.6E317 L318 V319E317-Q321 HydrophobicContact CG-CG 4.48Å; E317-Q321 WeakPolarHBondContact O-CB 3.49Å; E317-Q321 VanDerWaalsContact O-CG 3.31Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.28Å; E317-Q321 PolarHBondContact OE1-NE2 3.28Å; L318-Q321 PolarHBondContact O-N 2.97Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 3.49Å
322T90.5Very high91.7Very high9 Ų956.3 Ų56.36%0.05529%0.292CS..Hα-helixtrans-86.1-48.3-171.3-53.80000112.3L318 V319 A324 F326 L342 K401L318-T322 VanDerWaalsContact O-CB 3.25Å; L318-T322 WeakPolarHBondContact O-CB 3.42Å; L318-T322 PolarHBondContact O-N 3.01Å; L318-T322 PolarHBondContact O-OG1 3.09Å; V319-T322 PolarHBondContact O-N 3.44Å; T322-A324 VanDerWaalsContact C-N 3.32Å; T322-A324 HydrophobicContact CG2-CB 4.3Å; T322-A324 PolarHBondContact O-N 2.75Å; T322-F326 HydrophobicContact CG2-CE2 3.6Å; T322-F326 HydrophobicContact CG2-CZ 3.89Å; T322-L342 HydrophobicContact CG2-CB 3.96Å; T322-L342 HydrophobicContact CG2-CD1 3.97Å; T322-K401 HydrophobicContact CG2-CD 4.47Å; T322-K401 WeakPolarHBondContact O-CD 3.22Å; T322-K401 PolarHBondContact O-NZ 3.37Å
323K92.3Very high91.6Very high116 Ų11649.4 Ų49.450%0.50426%0.26SS..  trans48.148.4179.3-64.1-178.4174.9173.80113.4V319 H320 L342V319-K323 PolarHBondContact O-N 2.68Å; H320-K323 PolarHBondContact NE2-NZ 2.77Å; H320-K323 VanDerWaalsContact NE2-NZ 3.2Å; H320-K323 WeakPolarHBondContact O-CE 3.38Å; H320-K323 WeakPolarHBondContact O-CG 3.42Å; K323-L342 VanDerWaalsContact CA-O 3.23Å; K323-L342 WeakPolarHBondContact CA-O 3.47Å; K323-L342 PolarHBondContact N-O 3.09Å
324A94.3Very high91.4Very high1 Ų151.3 Ų51.31%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-156.7154.9-177.200000113.6T322 F326 L342 D361 T398T322-A324 VanDerWaalsContact C-N 3.32Å; T322-A324 HydrophobicContact CG2-CB 4.3Å; T322-A324 PolarHBondContact O-N 2.75Å; A324-F326 HydrophobicContact CB-CE2 4.16Å; A324-F326 HydrophobicContact CB-CZ 3.98Å; A324-L342 PolarHBondContact N-O 3.39Å; A324-L342 VanDerWaalsContact N-O 3.08Å; A324-L342 CarbonylContact O-C 3.23Å; A324-L342 VanDerWaalsContact O-C 3.23Å; A324-L342 WeakPolarHBondContact O-CA 3.32Å; A324-L342 WeakPolarHBondContact O-CB 3.46Å; A324-L342 PolarHBondContact O-N 3.41Å; A324-D361 VanDerWaalsContact CA-OD2 3.29Å; A324-D361 WeakPolarHBondContact CA-OD2 3.3Å; A324-D361 HydrophobicContact CB-CB 4.29Å; A324-T398 HydrophobicContact CB-CG2 3.28Å
325T94.7Very high91.3Very high0 Ų050.8 Ų50.80%028%0.28CS..EExtended strand (participates in β ladder)trans-110.5127.3171.8-58.80000110.6E341 P353 S359 V360 D361 V362T325-E341 HydrophobicContact CG2-CB 4.41Å; T325-E341 HydrophobicContact CG2-CG 4.47Å; T325-P353 HydrophobicContact CG2-CB 3.83Å; T325-P353 HydrophobicContact CG2-CG 3.54Å; T325-S359 WeakPolarHBondContact CB-O 3.22Å; T325-V360 HydrophobicContact CG2-CG2 4.41Å; T325-D361 PolarHBondContact N-OD2 2.95Å; T325-D361 PolarHBondContact O-N 3.39Å; T325-V362 PolarHBondContact O-N 2.91Å
326F95.6Very high91.4Very high0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-109.7135.8177.7-52.6-82.7000110.6T322 A324 F328 Y339 L340 V362 F364 T398 K401 L402T322-F326 HydrophobicContact CG2-CE2 3.6Å; T322-F326 HydrophobicContact CG2-CZ 3.89Å; A324-F326 HydrophobicContact CB-CE2 4.16Å; A324-F326 HydrophobicContact CB-CZ 3.98Å; F326-F328 HydrophobicContact CB-CE2 3.99Å; F326-F328 HydrophobicContact CB-CZ 4.02Å; F326-Y339 WeakPolarHBondContact O-CA 3.35Å; F326-L340 HydrophobicContact CB-CB 4.41Å; F326-L340 HydrophobicContact CD2-CB 4.47Å; F326-L340 HydrophobicContact CD2-CD2 4.26Å; F326-L340 HydrophobicContact CD2-CG 4.35Å; F326-L340 PolarHBondContact N-O 3.43Å; F326-L340 PolarHBondContact O-N 3.17Å; F326-V362 WeakPolarHBondContact CA-O 3.4Å; F326-V362 HydrophobicContact CD1-CB 3.92Å; F326-V362 HydrophobicContact CD1-CG2 4.23Å; F326-V362 HydrophobicContact CE1-CB 4.38Å; F326-V362 HydrophobicContact CE1-CG2 4.2Å; F326-F364 HydrophobicContact CB-CE2 4.26Å; F326-F364 AromaticContact CD1-CE2 3.65Å; F326-F364 HydrophobicContact CD1-CE2 3.65Å; F326-F364 HydrophobicContact CD1-CZ 4.3Å; F326-F364 HydrophobicContact CE1-CE2 4.45Å; F326-F364 HydrophobicContact CG-CE2 4.33Å; F326-T398 HydrophobicContact CE1-CG2 4.04Å; F326-T398 HydrophobicContact CZ-CG2 4.25Å; F326-K401 HydrophobicContact CZ-CB 4.45Å; F326-L402 HydrophobicContact CE1-CB 4.37Å
327L96Very high91.7Very high6 Ų648.8 Ų48.83%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-112.8135.6170.5-17568.4000109.5V360 V362 D363 F364L327-V360 HydrophobicContact CB-CG1 3.71Å; L327-V360 HydrophobicContact CB-CG2 4.09Å; L327-V360 HydrophobicContact CD2-CG2 4.43Å; L327-V362 PolarHBondContact N-O 3.48Å; L327-D363 WeakPolarHBondContact O-CA 3.37Å; L327-F364 PolarHBondContact O-N 3.19Å
328F96.5Very high92.1Very high1 Ų144 Ų440%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-116.3111.6175.8-55.4-84.4000109.1F307 F326 I330 K337 W338 L340 F364 M366 F371 F375 L402F307-F328 AromaticContact CZ-CD2 3.96Å; F307-F328 HydrophobicContact CZ-CD2 3.96Å; F307-F328 HydrophobicContact CZ-CE2 4.42Å; F326-F328 HydrophobicContact CB-CE2 3.99Å; F326-F328 HydrophobicContact CB-CZ 4.02Å; F328-I330 HydrophobicContact CB-CG1 4.46Å; F328-K337 WeakPolarHBondContact O-CA 3.47Å; F328-W338 HydrophobicContact CB-CB 4.45Å; F328-W338 PolarHBondContact N-O 3.44Å; F328-W338 PolarHBondContact O-N 3.33Å; F328-L340 HydrophobicContact CE2-CB 4.04Å; F328-F364 CarbonylContact C-O 3.57Å; F328-F364 WeakPolarHBondContact CA-O 3.36Å; F328-F364 HydrophobicContact CD1-CB 3.91Å; F328-F364 AromaticContact CD1-CD2 3.81Å; F328-F364 HydrophobicContact CD1-CD2 3.81Å; F328-F364 HydrophobicContact CD1-CG 4.17Å; F328-F364 HydrophobicContact CE1-CB 4.38Å; F328-F364 AromaticContact CE1-CD2 3.51Å; F328-F364 HydrophobicContact CE1-CD2 3.51Å; F328-F364 HydrophobicContact CE1-CE2 4.02Å; F328-F364 HydrophobicContact CE1-CG 4.14Å; F328-F364 HydrophobicContact CZ-CD2 4.21Å; F328-F364 HydrophobicContact CZ-CE2 4.44Å; F328-M366 HydrophobicContact CD1-CE 4.2Å; F328-F371 HydrophobicContact CB-CD2 4.4Å; F328-F371 HydrophobicContact CB-CE2 4.04Å; F328-F371 HydrophobicContact CD1-CD2 4.21Å; F328-F371 AromaticContact CD1-CE2 3.82Å; F328-F371 HydrophobicContact CD1-CE2 3.82Å; F328-F371 HydrophobicContact CD2-CE2 4.34Å; F328-F371 HydrophobicContact CE1-CE2 4.38Å; F328-F371 HydrophobicContact CG-CD2 4.43Å; F328-F371 AromaticContact CG-CE2 3.81Å; F328-F371 HydrophobicContact CG-CE2 3.81Å; F328-F375 HydrophobicContact CD1-CE2 4.45Å; F328-F375 AromaticContact CE1-CE2 3.95Å; F328-F375 HydrophobicContact CE1-CE2 3.95Å; F328-F375 AromaticContact CE1-CZ 3.94Å; F328-F375 HydrophobicContact CE1-CZ 3.94Å; F328-F375 HydrophobicContact CE2-CZ 4.3Å; F328-F375 HydrophobicContact CZ-CE2 4.2Å; F328-F375 AromaticContact CZ-CZ 3.71Å; F328-F375 HydrophobicContact CZ-CZ 3.71Å; F328-L402 HydrophobicContact CE1-CD1 4.42Å; F328-L402 HydrophobicContact CE1-CD2 3.77Å; F328-L402 HydrophobicContact CZ-CD1 3.94Å; F328-L402 HydrophobicContact CZ-CD2 4.11Å
329N96.1Very high92.5Very high21 Ų2143.7 Ų43.711%0.11223%0.229CC..EExtended strand (participates in β ladder)trans-93.7100.3170.4-64.7-75.5000109N336 K337 D363 F364 T365 M366N329-N336 CarbonylContact C-O 3.51Å; N329-N336 WeakPolarHBondContact CA-O 3.36Å; N329-K337 VanDerWaalsContact OD1-CE 3.27Å; N329-K337 WeakPolarHBondContact OD1-CE 3.38Å; N329-K337 WeakPolarHBondContact OD1-CG 3.49Å; N329-D363 PolarHBondContact ND2-OD1 3.24Å; N329-D363 PolarHBondContact ND2-OD2 3.22Å; N329-F364 PolarHBondContact N-O 3.02Å; N329-T365 HydrophobicContact CB-CG2 4.25Å; N329-T365 WeakPolarHBondContact O-CA 3.39Å; N329-M366 PolarHBondContact O-N 3.42Å
330I95.8Very high92.7Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-96.797.4179.7-47.4174.7000108.2T303 F328 D332 L333 N336 W338 M366 F371T303-I330 HydrophobicContact CG2-CD1 3.79Å; F328-I330 HydrophobicContact CB-CG1 4.46Å; I330-D332 PolarHBondContact O-N 3.42Å; I330-D332 VanDerWaalsContact O-N 3.09Å; I330-L333 HydrophobicContact CB-CB 4.31Å; I330-L333 HydrophobicContact CB-CD1 4.1Å; I330-L333 HydrophobicContact CB-CG 4.3Å; I330-L333 HydrophobicContact CD1-CD1 3.95Å; I330-L333 HydrophobicContact CG2-CB 4.15Å; I330-L333 HydrophobicContact CG2-CD1 3.58Å; I330-L333 HydrophobicContact CG2-CG 3.65Å; I330-L333 PolarHBondContact O-N 3.05Å; I330-N336 PolarHBondContact N-O 2.68Å; I330-N336 WeakPolarHBondContact O-CA 3.39Å; I330-N336 VanDerWaalsContact O-CB 3.32Å; I330-N336 WeakPolarHBondContact O-CB 3.05Å; I330-W338 HydrophobicContact CD1-CG 4.49Å; I330-M366 CarbonylContact C-O 3.54Å; I330-M366 WeakPolarHBondContact CA-O 3.45Å; I330-F371 HydrophobicContact CD1-CB 4.14Å; I330-F371 HydrophobicContact CD1-CD1 3.79Å; I330-F371 HydrophobicContact CD1-CD2 3.73Å; I330-F371 HydrophobicContact CD1-CE1 4.14Å; I330-F371 HydrophobicContact CD1-CE2 4.06Å; I330-F371 HydrophobicContact CD1-CG 3.59Å; I330-F371 HydrophobicContact CD1-CZ 4.28Å; I330-F371 HydrophobicContact CG1-CB 4.37Å; I330-F371 HydrophobicContact CG1-CD2 4.1Å; I330-F371 HydrophobicContact CG1-CG 4.18Å
331V90Very high92.9Very high96 Ų9638 Ų3858%0.58220%0.202SC*.THydrogen-bonded Turntrans-65.7-19.6-158.3-62.40000115.3T365 M366 N367V331-T365 HydrophobicContact CG1-CG2 3.54Å; V331-M366 PolarHBondContact N-O 3.12Å; V331-N367 HydrophobicContact CG2-CB 4.31Å
332D89.3Confident93.2Very high90 Ų9032.4 Ų32.448%0.48118%0.175SC..THydrogen-bonded Turntrans-113.58.3-174.257.4-25.6000113.3I330 N367 G368I330-D332 PolarHBondContact O-N 3.42Å; I330-D332 VanDerWaalsContact O-N 3.09Å; D332-N367 VanDerWaalsContact OD1-CA 3.26Å; D332-N367 WeakPolarHBondContact OD1-CA 3.46Å; D332-G368 PolarHBondContact OD1-N 3.05Å; D332-G368 PolarHBondContact OD2-N 3.32Å
333L88.3Confident93.2Very high20 Ų2035.8 Ų35.811%0.10519%0.189CC..SBendtrans-106.8157174.1-67.6-174.6000112.7V299 T303 I330 P335 N336V299-L333 HydrophobicContact CB-CD2 4.49Å; V299-L333 HydrophobicContact CG1-CD1 4.47Å; V299-L333 HydrophobicContact CG1-CD2 4.13Å; T303-L333 HydrophobicContact CG2-CD1 4.01Å; T303-L333 VanDerWaalsContact OG1-CD1 3.31Å; T303-L333 WeakPolarHBondContact OG1-CD1 3.45Å; I330-L333 HydrophobicContact CB-CB 4.31Å; I330-L333 HydrophobicContact CB-CD1 4.1Å; I330-L333 HydrophobicContact CB-CG 4.3Å; I330-L333 HydrophobicContact CD1-CD1 3.95Å; I330-L333 HydrophobicContact CG2-CB 4.15Å; I330-L333 HydrophobicContact CG2-CD1 3.58Å; I330-L333 HydrophobicContact CG2-CG 3.65Å; I330-L333 PolarHBondContact O-N 3.05Å; L333-P335 CarbonylContact O-C 3.52Å; L333-N336 WeakPolarHBondContact O-CA 3.41Å; L333-N336 VanDerWaalsContact O-CB 3.24Å; L333-N336 WeakPolarHBondContact O-CB 3.33Å; L333-N336 PolarHBondContact O-N 3.03Å
334S84.5Confident92.9Very high112 Ų11233.3 Ų33.378%0.78318%0.184SC*.SBendtrans-129.8112.2166.2-165.30000107.9
335P87.4Confident92.4Very high23 Ų2340.3 Ų40.315%0.14922%0.222CC..SBendcis-68.3145.3133.3-41.4000113.6Y304 L333 W338 E350Y304-P335 WeakPolarHBondContact OH-CD 3.24Å; L333-P335 CarbonylContact O-C 3.52Å; P335-W338 HydrophobicContact CG-CZ2 3.83Å; P335-W338 PolarHBondContact O-NE1 2.81Å; P335-W338 VanDerWaalsContact O-NE1 3.07Å; P335-E350 HydrophobicContact CB-CG 3.66Å; P335-E350 WeakPolarHBondContact CB-OE1 3.41Å; P335-E350 HydrophobicContact CG-CB 4.21Å; P335-E350 HydrophobicContact CG-CG 3.59Å
336N92.5Very high92.2Very high79 Ų7941.1 Ų41.142%0.42223%0.23SC..  trans-90.3-11.4-179.272.6-27.2000114N329 I330 L333N329-N336 CarbonylContact C-O 3.51Å; N329-N336 WeakPolarHBondContact CA-O 3.36Å; I330-N336 PolarHBondContact N-O 2.68Å; I330-N336 WeakPolarHBondContact O-CA 3.39Å; I330-N336 VanDerWaalsContact O-CB 3.32Å; I330-N336 WeakPolarHBondContact O-CB 3.05Å; L333-N336 WeakPolarHBondContact O-CA 3.41Å; L333-N336 VanDerWaalsContact O-CB 3.24Å; L333-N336 WeakPolarHBondContact O-CB 3.33Å; L333-N336 PolarHBondContact O-N 3.03Å
337K96Very high92.2Very high64 Ų6442.7 Ų42.728%0.27824%0.241SC..EExtended strand (participates in β ladder)trans-115133.6-177.4-76.4-173.9177-1680110.8F328 N329 G351F328-K337 WeakPolarHBondContact O-CA 3.47Å; N329-K337 VanDerWaalsContact OD1-CE 3.27Å; N329-K337 WeakPolarHBondContact OD1-CE 3.38Å; N329-K337 WeakPolarHBondContact OD1-CG 3.49Å; K337-G351 PolarHBondContact O-N 3.06Å
338W97.1Very high92.2Very high6 Ų642.6 Ų42.62%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-142.3144.7176.4-62.275.8000110.2T303 Y304 F307 F328 I330 P335 G349 E350T303-W338 HydrophobicContact CG2-CD2 4.15Å; T303-W338 HydrophobicContact CG2-CH2 4.24Å; T303-W338 HydrophobicContact CG2-CZ2 3.76Å; Y304-W338 AromaticContact CD1-CH2 3.56Å; Y304-W338 HydrophobicContact CD1-CH2 3.56Å; Y304-W338 HydrophobicContact CD1-CZ3 4.29Å; Y304-W338 AromaticContact CD2-CH2 3.9Å; Y304-W338 HydrophobicContact CD2-CH2 3.9Å; Y304-W338 HydrophobicContact CD2-CZ2 4.2Å; Y304-W338 AromaticContact CE1-CH2 3.5Å; Y304-W338 HydrophobicContact CE1-CH2 3.5Å; Y304-W338 HydrophobicContact CE1-CZ2 4.26Å; Y304-W338 HydrophobicContact CE1-CZ3 4.35Å; Y304-W338 AromaticContact CE2-CH2 3.85Å; Y304-W338 HydrophobicContact CE2-CH2 3.85Å; Y304-W338 AromaticContact CE2-CZ2 3.91Å; Y304-W338 HydrophobicContact CE2-CZ2 3.91Å; Y304-W338 AromaticContact CG-CH2 3.73Å; Y304-W338 HydrophobicContact CG-CH2 3.73Å; Y304-W338 HydrophobicContact CG-CZ2 4.48Å; Y304-W338 AromaticContact CZ-CH2 3.64Å; Y304-W338 AromaticContact CZ-CZ2 3.92Å; F307-W338 HydrophobicContact CB-CE3 4.01Å; F307-W338 HydrophobicContact CB-CZ3 3.74Å; F307-W338 AromaticContact CD1-CE3 3.96Å; F307-W338 HydrophobicContact CD1-CE3 3.96Å; F307-W338 HydrophobicContact CD2-CB 4.36Å; F307-W338 AromaticContact CD2-CD2 3.71Å; F307-W338 HydrophobicContact CD2-CD2 3.71Å; F307-W338 AromaticContact CD2-CE3 3.09Å; F307-W338 HydrophobicContact CD2-CE3 3.09Å; F307-W338 HydrophobicContact CD2-CG 4.26Å; F307-W338 HydrophobicContact CD2-CH2 4.4Å; F307-W338 AromaticContact CD2-CZ3 3.51Å; F307-W338 HydrophobicContact CD2-CZ3 3.51Å; F307-W338 HydrophobicContact CE1-CB 4.02Å; F307-W338 HydrophobicContact CE1-CE3 4.25Å; F307-W338 HydrophobicContact CE2-CB 3.46Å; F307-W338 VanDerWaalsContact CE2-CB 3.46Å; F307-W338 AromaticContact CE2-CD2 3.6Å; F307-W338 HydrophobicContact CE2-CD2 3.6Å; F307-W338 AromaticContact CE2-CE3 3.43Å; F307-W338 HydrophobicContact CE2-CE3 3.43Å; F307-W338 VanDerWaalsContact CE2-CE3 3.43Å; F307-W338 AromaticContact CE2-CG 3.65Å; F307-W338 HydrophobicContact CE2-CG 3.65Å; F307-W338 HydrophobicContact CE2-CZ3 4.27Å; F307-W338 HydrophobicContact CG-CD2 4.39Å; F307-W338 AromaticContact CG-CE3 3.4Å; F307-W338 HydrophobicContact CG-CE3 3.4Å; F307-W338 AromaticContact CG-CZ3 3.67Å; F307-W338 HydrophobicContact CG-CZ3 3.67Å; F307-W338 HydrophobicContact CZ-CB 3.28Å; F307-W338 HydrophobicContact CZ-CD2 4.25Å; F307-W338 HydrophobicContact CZ-CE3 4.03Å; F307-W338 HydrophobicContact CZ-CG 4.01Å; F328-W338 HydrophobicContact CB-CB 4.45Å; F328-W338 PolarHBondContact N-O 3.44Å; F328-W338 PolarHBondContact O-N 3.33Å; I330-W338 HydrophobicContact CD1-CG 4.49Å; P335-W338 HydrophobicContact CG-CZ2 3.83Å; P335-W338 PolarHBondContact O-NE1 2.81Å; P335-W338 VanDerWaalsContact O-NE1 3.07Å; W338-G349 CarbonylContact C-O 3.49Å; W338-G349 VanDerWaalsContact CA-O 3.3Å; W338-G349 WeakPolarHBondContact CA-O 3.36Å; W338-E350 HydrophobicContact CE3-CB 4.47Å
339Y96.3Very high92Very high31 Ų3142.9 Ų42.912%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-125.4151.9-176.477.8-89.3000112.5F307 F326 E341 S347 C348 G349 K352 P353 P354F307-Y339 WeakPolarHBondContact CE1-O 3.41Å; F326-Y339 WeakPolarHBondContact O-CA 3.35Å; Y339-E341 HydrophobicContact CD2-CB 3.98Å; Y339-E341 HydrophobicContact CE2-CB 4.02Å; Y339-S347 WeakPolarHBondContact CE2-OG 3.49Å; Y339-C348 WeakPolarHBondContact O-CA 3.36Å; Y339-C348 WeakPolarHBondContact O-CB 3.42Å; Y339-G349 VanDerWaalsContact CD1-O 3.23Å; Y339-G349 WeakPolarHBondContact CD1-O 3.44Å; Y339-G349 PolarHBondContact N-O 2.78Å; Y339-G349 PolarHBondContact O-N 3.07Å; Y339-G349 VanDerWaalsContact O-N 3.14Å; Y339-K352 WeakPolarHBondContact CD1-O 3.48Å; Y339-P353 HydrophobicContact CD2-CB 4.19Å; Y339-P353 HydrophobicContact CG-CB 4.35Å; Y339-P353 HydrophobicContact CG-CG 4.35Å; Y339-P354 HydrophobicContact CE2-CG 4.36Å
340L95.4Very high92Very high1 Ų147.1 Ų47.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-130.8102168.117661.7000108.1L310 I314 F326 F328 L342 C348 L405L310-L340 HydrophobicContact CD2-CD2 4.15Å; I314-L340 HydrophobicContact CD1-CD1 4.03Å; I314-L340 HydrophobicContact CG1-CD1 4.42Å; F326-L340 HydrophobicContact CB-CB 4.41Å; F326-L340 HydrophobicContact CD2-CB 4.47Å; F326-L340 HydrophobicContact CD2-CD2 4.26Å; F326-L340 HydrophobicContact CD2-CG 4.35Å; F326-L340 PolarHBondContact N-O 3.43Å; F326-L340 PolarHBondContact O-N 3.17Å; F328-L340 HydrophobicContact CE2-CB 4.04Å; L340-L342 HydrophobicContact CD1-CD1 3.99Å; L340-L342 HydrophobicContact CD1-CD2 4.18Å; L340-L342 HydrophobicContact CD1-CG 3.88Å; L340-L342 HydrophobicContact CD2-CD1 3.82Å; L340-L342 HydrophobicContact CD2-CG 4.5Å; L340-L342 HydrophobicContact CG-CD1 3.77Å; L340-L342 HydrophobicContact CG-CG 3.9Å; L340-C348 HydrophobicContact CB-CB 4.48Å; L340-C348 HydrophobicContact CD1-CB 3.79Å; L340-L405 HydrophobicContact CD2-CD1 4.29Å; L340-L405 HydrophobicContact CD2-CD2 3.94Å
341E94.3Very high91.8Very high4 Ų448.2 Ų48.22%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-92.1112.1178.6-167.8-65.411200107.7T325 Y339 K343 T344 N345 G346 S347T325-E341 HydrophobicContact CG2-CB 4.41Å; T325-E341 HydrophobicContact CG2-CG 4.47Å; Y339-E341 HydrophobicContact CD2-CB 3.98Å; Y339-E341 HydrophobicContact CE2-CB 4.02Å; E341-K343 WeakPolarHBondContact OE1-CA 3.38Å; E341-K343 WeakPolarHBondContact OE1-CB 3.39Å; E341-K343 PolarHBondContact OE1-N 3.32Å; E341-T344 PolarHBondContact OE1-N 3.12Å; E341-T344 PolarHBondContact OE1-OG1 2.63Å; E341-N345 PolarHBondContact OE2-N 2.89Å; E341-G346 CarbonylContact O-C 3.51Å; E341-G346 WeakPolarHBondContact O-CA 3.4Å; E341-G346 PolarHBondContact OE2-N 3.41Å; E341-S347 PolarHBondContact N-O 2.78Å; E341-S347 PolarHBondContact O-N 3.35Å
342L93.6Very high91.9Very high0 Ų048.7 Ų48.70%027%0.268CS..EExtended strand (participates in β ladder)trans-131.736.4178.3-65.3172.3000110.4I314 L318 V319 T322 K323 A324 L340 L405I314-L342 HydrophobicContact CG1-CD2 4.05Å; I314-L342 HydrophobicContact CG2-CD2 4.27Å; L318-L342 HydrophobicContact CD2-CD1 4.37Å; L318-L342 HydrophobicContact CD2-CD2 4.25Å; L318-L342 HydrophobicContact CG-CD1 4.3Å; L318-L342 HydrophobicContact CG-CD2 4.3Å; V319-L342 HydrophobicContact CG2-CD2 3.89Å; V319-L342 VanDerWaalsContact O-O 3.13Å; T322-L342 HydrophobicContact CG2-CB 3.96Å; T322-L342 HydrophobicContact CG2-CD1 3.97Å; K323-L342 VanDerWaalsContact CA-O 3.23Å; K323-L342 WeakPolarHBondContact CA-O 3.47Å; K323-L342 PolarHBondContact N-O 3.09Å; A324-L342 PolarHBondContact N-O 3.39Å; A324-L342 VanDerWaalsContact N-O 3.08Å; A324-L342 CarbonylContact O-C 3.23Å; A324-L342 VanDerWaalsContact O-C 3.23Å; A324-L342 WeakPolarHBondContact O-CA 3.32Å; A324-L342 WeakPolarHBondContact O-CB 3.46Å; A324-L342 PolarHBondContact O-N 3.41Å; L340-L342 HydrophobicContact CD1-CD1 3.99Å; L340-L342 HydrophobicContact CD1-CD2 4.18Å; L340-L342 HydrophobicContact CD1-CG 3.88Å; L340-L342 HydrophobicContact CD2-CD1 3.82Å; L340-L342 HydrophobicContact CD2-CG 4.5Å; L340-L342 HydrophobicContact CG-CD1 3.77Å; L340-L342 HydrophobicContact CG-CG 3.9Å; L342-L405 HydrophobicContact CD1-CD1 3.29Å
343K90.6Very high92Very high80 Ų8044.7 Ų44.735%0.34825%0.247SC..SBendtrans-108.6-42.3-177.4-163.8175.8-166.9154.10111.8E341 D361E341-K343 WeakPolarHBondContact OE1-CA 3.38Å; E341-K343 WeakPolarHBondContact OE1-CB 3.39Å; E341-K343 PolarHBondContact OE1-N 3.32Å; K343-D361 VanDerWaalsContact NZ-CG 3.28Å; K343-D361 IonicContact NZ-OD1 2.63Å; K343-D361 PolarHBondContact NZ-OD1 3.29Å; K343-D361 IonicContact NZ-OD2 2.86Å; K343-D361 PolarHBondContact NZ-OD2 3.23Å
344T87.3Confident92Very high64 Ų6448.2 Ų48.239%0.39327%0.271SS..SBendtrans-119.9-78.2-176.3560000112.2V319 E341 E355V319-T344 WeakPolarHBondContact CG1-O 3.49Å; E341-T344 PolarHBondContact OE1-N 3.12Å; E341-T344 PolarHBondContact OE1-OG1 2.63Å; T344-E355 VanDerWaalsContact CG2-OE1 3.26Å; T344-E355 WeakPolarHBondContact CG2-OE1 3.37Å; T344-E355 PolarHBondContact OG1-OE1 3.36Å
345N83.6Confident92.1Very high149 Ų14947.5 Ų47.580%0.79726%0.255SS*.SBendtrans-103.3-17-169.1-68.2-28.6000113.4E341E341-N345 PolarHBondContact OE2-N 2.89Å
346G91Very high92Very high17 Ų1747.6 Ų47.618%0.17526%0.261CS..  trans79.699-176.600000110.6E341E341-G346 CarbonylContact O-C 3.51Å; E341-G346 WeakPolarHBondContact O-CA 3.4Å; E341-G346 PolarHBondContact OE2-N 3.41Å
347S94.6Very high91.4Very high32 Ų3247.5 Ų47.522%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-152157.8173.961.60000112Y339 E341Y339-S347 WeakPolarHBondContact CE2-OG 3.49Å; E341-S347 PolarHBondContact N-O 2.78Å; E341-S347 PolarHBondContact O-N 3.35Å
348C95.4Very high90.9Very high5 Ų550.1 Ų50.13%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-151.2151.9173.966.70000111.9F307 R311 I314 Y339 L340F307-C348 HydrophobicContact CD1-CB 3.9Å; F307-C348 HydrophobicContact CE1-CB 4.21Å; R311-C348 PolarHBondContact NH2-O 3.26Å; I314-C348 HydrophobicContact CD1-CB 4.15Å; Y339-C348 WeakPolarHBondContact O-CA 3.36Å; Y339-C348 WeakPolarHBondContact O-CB 3.42Å; L340-C348 HydrophobicContact CB-CB 4.48Å; L340-C348 HydrophobicContact CD1-CB 3.79Å
349G93.9Very high90.4Very high6 Ų650.3 Ų50.36%0.06229%0.289CS..EExtended strand (participates in β ladder)trans169.1-171.317900000113.8W338 Y339W338-G349 CarbonylContact C-O 3.49Å; W338-G349 VanDerWaalsContact CA-O 3.3Å; W338-G349 WeakPolarHBondContact CA-O 3.36Å; Y339-G349 VanDerWaalsContact CD1-O 3.23Å; Y339-G349 WeakPolarHBondContact CD1-O 3.44Å; Y339-G349 PolarHBondContact N-O 2.78Å; Y339-G349 PolarHBondContact O-N 3.07Å; Y339-G349 VanDerWaalsContact O-N 3.14Å
350E94.8Very high90.3Very high110 Ų11050.5 Ų50.551%0.51429%0.294SS..EExtended strand (participates in β ladder)trans-65.6146.3173.6164.7176.6176.200111.4Y304 P335 W338Y304-E350 PolarHBondContact OH-OE2 2.75Å; P335-E350 HydrophobicContact CB-CG 3.66Å; P335-E350 WeakPolarHBondContact CB-OE1 3.41Å; P335-E350 HydrophobicContact CG-CB 4.21Å; P335-E350 HydrophobicContact CG-CG 3.59Å; W338-E350 HydrophobicContact CE3-CB 4.47Å
351G92.9Very high90.3Very high23 Ų2352.7 Ų52.724%0.23731%0.305CS..SBendtrans89.7-143.717100000113.7K337K337-G351 PolarHBondContact O-N 3.06Å
352K90.7Very high90.3Very high107 Ų10752.5 Ų52.547%0.46530%0.304SS..SBendtrans-95.7154.4-177.3-65.9179.6173.7-1690110.5Y339 D357Y339-K352 WeakPolarHBondContact CD1-O 3.48Å; K352-D357 WeakPolarHBondContact CD-OD1 3.44Å; K352-D357 WeakPolarHBondContact CE-OD1 3.5Å; K352-D357 VanDerWaalsContact CE-OD2 3.28Å; K352-D357 WeakPolarHBondContact CE-OD2 3.27Å; K352-D357 WeakPolarHBondContact CG-OD1 3.37Å; K352-D357 IonicContact NZ-OD1 2.7Å; K352-D357 IonicContact NZ-OD2 2.67Å; K352-D357 PolarHBondContact NZ-OD2 3.39Å
353P91.4Very high90.3Very high5 Ų554.1 Ų54.13%0.03231%0.313CS..  trans-58.4151.9172.1-15.626.3000111.8T325 Y339 E355 G356 V360T325-P353 HydrophobicContact CG2-CB 3.83Å; T325-P353 HydrophobicContact CG2-CG 3.54Å; Y339-P353 HydrophobicContact CD2-CB 4.19Å; Y339-P353 HydrophobicContact CG-CB 4.35Å; Y339-P353 HydrophobicContact CG-CG 4.35Å; P353-E355 PolarHBondContact O-N 2.99Å; P353-G356 PolarHBondContact O-N 2.93Å; P353-V360 HydrophobicContact CG-CG2 3.72Å
354P87.8Confident90.5Very high94 Ų9450.4 Ų50.461%0.6130%0.297SS*.THydrogen-bonded Turntrans-56.6-33.3-179.8-26.334.3000114.3Y339 G356Y339-P354 HydrophobicContact CE2-CG 4.36Å; P354-G356 VanDerWaalsContact C-N 3.25Å; P354-G356 PolarHBondContact O-N 3.03Å
355E87.2Confident90.9Very high97 Ų9749 Ų4945%0.45329%0.288SS..THydrogen-bonded Turntrans-83.64.7179.2-64.3178.5-169.700113.4T344 P353T344-E355 VanDerWaalsContact CG2-OE1 3.26Å; T344-E355 WeakPolarHBondContact CG2-OE1 3.37Å; T344-E355 PolarHBondContact OG1-OE1 3.36Å; P353-E355 PolarHBondContact O-N 2.99Å
356G84.8Confident91.5Very high26 Ų2642.2 Ų42.227%0.26825%0.252SS..  trans82.5176.8178.900000114.6P353 P354 S358 S359P353-G356 PolarHBondContact O-N 2.93Å; P354-G356 VanDerWaalsContact C-N 3.25Å; P354-G356 PolarHBondContact O-N 3.03Å; G356-S358 VanDerWaalsContact C-N 3.25Å; G356-S358 PolarHBondContact O-N 2.73Å; G356-S359 WeakPolarHBondContact O-CB 3.43Å; G356-S359 PolarHBondContact O-N 3.03Å; G356-S359 VanDerWaalsContact O-N 3.1Å; G356-S359 PolarHBondContact O-OG 3.03Å
357D80.8Confident91.6Very high76 Ų7644.1 Ų44.141%0.40626%0.258SS..G310 helixtrans-62.4-29.6-172.6-66.8-36.4000113.1K352 S359 V360K352-D357 WeakPolarHBondContact CD-OD1 3.44Å; K352-D357 WeakPolarHBondContact CE-OD1 3.5Å; K352-D357 VanDerWaalsContact CE-OD2 3.28Å; K352-D357 WeakPolarHBondContact CE-OD2 3.27Å; K352-D357 WeakPolarHBondContact CG-OD1 3.37Å; K352-D357 IonicContact NZ-OD1 2.7Å; K352-D357 IonicContact NZ-OD2 2.67Å; K352-D357 PolarHBondContact NZ-OD2 3.39Å; D357-S359 PolarHBondContact O-N 2.85Å; D357-V360 WeakPolarHBondContact O-CB 3.48Å; D357-V360 WeakPolarHBondContact O-CG2 3.28Å; D357-V360 PolarHBondContact O-N 3.1Å
358S84.8Confident91.6Very high120 Ų12042.6 Ų42.684%0.83925%0.247SC*.G310 helixtrans-68.6-13.6178.750.70000113.7G356G356-S358 VanDerWaalsContact C-N 3.25Å; G356-S358 PolarHBondContact O-N 2.73Å
359S88Confident91.5Very high10 Ų1048.5 Ų48.57%0.0727%0.274CS..G310 helixtrans-83.3-1417769.80000113.2T325 G356 D357 D361T325-S359 WeakPolarHBondContact CB-O 3.22Å; G356-S359 WeakPolarHBondContact O-CB 3.43Å; G356-S359 PolarHBondContact O-N 3.03Å; G356-S359 VanDerWaalsContact O-N 3.1Å; G356-S359 PolarHBondContact O-OG 3.03Å; D357-S359 PolarHBondContact O-N 2.85Å; S359-D361 PolarHBondContact O-N 2.78Å
360V93.5Very high91.4Very high35 Ų3548.4 Ų48.421%0.21227%0.273CS..  trans-70.2119.3-176.5178.90000111T325 L327 P353 D357 V362 D363T325-V360 HydrophobicContact CG2-CG2 4.41Å; L327-V360 HydrophobicContact CB-CG1 3.71Å; L327-V360 HydrophobicContact CB-CG2 4.09Å; L327-V360 HydrophobicContact CD2-CG2 4.43Å; P353-V360 HydrophobicContact CG-CG2 3.72Å; D357-V360 WeakPolarHBondContact O-CB 3.48Å; D357-V360 WeakPolarHBondContact O-CG2 3.28Å; D357-V360 PolarHBondContact O-N 3.1Å; V360-V362 WeakPolarHBondContact CG1-O 3.36Å; V360-D363 HydrophobicContact CG1-CB 4.45Å
361D94.6Very high91.4Very high46 Ų4643.2 Ų43.225%0.24625%0.248CC..SBendtrans-89-29.5177.7-63-72.6000112.2A324 T325 K343 S359 G394 N395 T398A324-D361 VanDerWaalsContact CA-OD2 3.29Å; A324-D361 WeakPolarHBondContact CA-OD2 3.3Å; A324-D361 HydrophobicContact CB-CB 4.29Å; T325-D361 PolarHBondContact N-OD2 2.95Å; T325-D361 PolarHBondContact O-N 3.39Å; K343-D361 VanDerWaalsContact NZ-CG 3.28Å; K343-D361 IonicContact NZ-OD1 2.63Å; K343-D361 PolarHBondContact NZ-OD1 3.29Å; K343-D361 IonicContact NZ-OD2 2.86Å; K343-D361 PolarHBondContact NZ-OD2 3.23Å; S359-D361 PolarHBondContact O-N 2.78Å; D361-G394 WeakPolarHBondContact O-CA 3.23Å; D361-N395 PolarHBondContact O-N 3.15Å; D361-N395 VanDerWaalsContact O-N 3.16Å; D361-T398 HydrophobicContact CB-CG2 4.25Å
362V94.8Very high91.5Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-144.9130.8178.4-172.40000110.7T325 F326 L327 V360 F364 I392 I393 T398 A399T325-V362 PolarHBondContact O-N 2.91Å; F326-V362 WeakPolarHBondContact CA-O 3.4Å; F326-V362 HydrophobicContact CD1-CB 3.92Å; F326-V362 HydrophobicContact CD1-CG2 4.23Å; F326-V362 HydrophobicContact CE1-CB 4.38Å; F326-V362 HydrophobicContact CE1-CG2 4.2Å; L327-V362 PolarHBondContact N-O 3.48Å; V360-V362 WeakPolarHBondContact CG1-O 3.36Å; V362-F364 HydrophobicContact CB-CE2 4.21Å; V362-F364 HydrophobicContact CB-CZ 4.43Å; V362-F364 HydrophobicContact CG1-CD1 4.49Å; V362-F364 HydrophobicContact CG1-CD2 4.15Å; V362-F364 HydrophobicContact CG1-CE1 4Å; V362-F364 HydrophobicContact CG1-CE2 3.63Å; V362-F364 HydrophobicContact CG1-CZ 3.53Å; V362-I392 HydrophobicContact CG1-CG2 3.69Å; V362-I393 CarbonylContact C-O 3.48Å; V362-I393 WeakPolarHBondContact CA-O 3.31Å; V362-T398 HydrophobicContact CG2-CG2 3.74Å; V362-A399 HydrophobicContact CG1-CB 3.87Å; V362-A399 HydrophobicContact CG2-CB 4.27Å
363D94.1Very high91.5Very high34 Ų3439.5 Ų39.518%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-110124.2172.8-178.9-46000109.3L327 N329 V360 T365 I392 I393L327-D363 WeakPolarHBondContact O-CA 3.37Å; N329-D363 PolarHBondContact ND2-OD1 3.24Å; N329-D363 PolarHBondContact ND2-OD2 3.22Å; V360-D363 HydrophobicContact CG1-CB 4.45Å; D363-T365 PolarHBondContact OD1-OG1 3.01Å; D363-I392 CarbonylContact O-C 3.17Å; D363-I392 WeakPolarHBondContact O-CA 3.25Å; D363-I393 HydrophobicContact CB-CB 4.23Å; D363-I393 PolarHBondContact N-O 2.95Å; D363-I393 PolarHBondContact O-N 2.86Å
364F95.4Very high91.5Very high2 Ų239.4 Ų39.41%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-106.1130172.7-60.5-82.5000110F326 L327 F328 N329 V362 M366 M390 K391 I392 A399 L402F326-F364 HydrophobicContact CB-CE2 4.26Å; F326-F364 AromaticContact CD1-CE2 3.65Å; F326-F364 HydrophobicContact CD1-CE2 3.65Å; F326-F364 HydrophobicContact CD1-CZ 4.3Å; F326-F364 HydrophobicContact CE1-CE2 4.45Å; F326-F364 HydrophobicContact CG-CE2 4.33Å; L327-F364 PolarHBondContact O-N 3.19Å; F328-F364 CarbonylContact C-O 3.57Å; F328-F364 WeakPolarHBondContact CA-O 3.36Å; F328-F364 HydrophobicContact CD1-CB 3.91Å; F328-F364 AromaticContact CD1-CD2 3.81Å; F328-F364 HydrophobicContact CD1-CD2 3.81Å; F328-F364 HydrophobicContact CD1-CG 4.17Å; F328-F364 HydrophobicContact CE1-CB 4.38Å; F328-F364 AromaticContact CE1-CD2 3.51Å; F328-F364 HydrophobicContact CE1-CD2 3.51Å; F328-F364 HydrophobicContact CE1-CE2 4.02Å; F328-F364 HydrophobicContact CE1-CG 4.14Å; F328-F364 HydrophobicContact CZ-CD2 4.21Å; F328-F364 HydrophobicContact CZ-CE2 4.44Å; N329-F364 PolarHBondContact N-O 3.02Å; V362-F364 HydrophobicContact CB-CE2 4.21Å; V362-F364 HydrophobicContact CB-CZ 4.43Å; V362-F364 HydrophobicContact CG1-CD1 4.49Å; V362-F364 HydrophobicContact CG1-CD2 4.15Å; V362-F364 HydrophobicContact CG1-CE1 4Å; V362-F364 HydrophobicContact CG1-CE2 3.63Å; V362-F364 HydrophobicContact CG1-CZ 3.53Å; F364-M366 HydrophobicContact CB-CE 3.57Å; F364-M366 HydrophobicContact CG-CE 4.35Å; F364-M390 HydrophobicContact CB-SD 4.43Å; F364-M390 HydrophobicContact CD1-CE 4.25Å; F364-M390 HydrophobicContact CD1-CG 4.25Å; F364-M390 HydrophobicContact CD1-SD 3.58Å; F364-M390 VanDerWaalsContact CD1-SD 3.58Å; F364-M390 HydrophobicContact CE1-CE 4.43Å; F364-M390 HydrophobicContact CE1-SD 4.25Å; F364-M390 HydrophobicContact CG-SD 4.35Å; F364-K391 CarbonylContact C-O 3.57Å; F364-K391 WeakPolarHBondContact CA-O 3.42Å; F364-I392 HydrophobicContact CD1-CD1 4.44Å; F364-I392 HydrophobicContact CD1-CG1 3.78Å; F364-I392 HydrophobicContact CD1-CG2 4.46Å; F364-I392 HydrophobicContact CE1-CD1 4.04Å; F364-I392 HydrophobicContact CE1-CG1 3.83Å; F364-I392 HydrophobicContact CE1-CG2 4.18Å; F364-A399 HydrophobicContact CE1-CB 4.24Å; F364-A399 HydrophobicContact CZ-CB 4.08Å; F364-L402 HydrophobicContact CD2-CD2 4.16Å; F364-L402 HydrophobicContact CE1-CD2 3.99Å; F364-L402 HydrophobicContact CE2-CD2 3.52Å; F364-L402 HydrophobicContact CZ-CB 4.14Å; F364-L402 HydrophobicContact CZ-CD2 3.43Å; F364-L402 VanDerWaalsContact CZ-CD2 3.43Å; F364-L402 HydrophobicContact CZ-CG 4.4Å
365T95.3Very high91.7Very high35 Ų3535.1 Ų35.122%0.21520%0.203CC..EExtended strand (participates in β ladder)trans-118.3125.6172.3-55.70000110.3N329 V331 D363 M390 K391N329-T365 HydrophobicContact CB-CG2 4.25Å; N329-T365 WeakPolarHBondContact O-CA 3.39Å; V331-T365 HydrophobicContact CG1-CG2 3.54Å; D363-T365 PolarHBondContact OD1-OG1 3.01Å; T365-M390 CarbonylContact O-C 3.59Å; T365-M390 WeakPolarHBondContact O-CA 3.48Å; T365-K391 PolarHBondContact N-O 2.78Å; T365-K391 PolarHBondContact O-N 3.45Å
366M95.9Very high91.8Very high7 Ų732.5 Ų32.53%0.03419%0.192CC..EExtended strand (participates in β ladder)trans-157.8176.3-178.666.3-167.286.200111.4F328 N329 I330 V331 F364 T370 F371 L374 Q389 M390F328-M366 HydrophobicContact CD1-CE 4.2Å; N329-M366 PolarHBondContact O-N 3.42Å; I330-M366 CarbonylContact C-O 3.54Å; I330-M366 WeakPolarHBondContact CA-O 3.45Å; V331-M366 PolarHBondContact N-O 3.12Å; F364-M366 HydrophobicContact CB-CE 3.57Å; F364-M366 HydrophobicContact CG-CE 4.35Å; M366-T370 HydrophobicContact CB-CG2 4.04Å; M366-T370 HydrophobicContact CG-CG2 4.48Å; M366-T370 HydrophobicContact SD-CG2 4.1Å; M366-F371 HydrophobicContact CG-CB 4.06Å; M366-F371 WeakPolarHBondContact SD-CA 3.18Å; M366-F371 HydrophobicContact SD-CB 3.71Å; M366-F371 HydrophobicContact SD-CD2 4.02Å; M366-F371 HydrophobicContact SD-CG 4.37Å; M366-L374 HydrophobicContact CE-CD1 4.01Å; M366-L374 HydrophobicContact SD-CD1 3.56Å; M366-L374 VanDerWaalsContact SD-CD1 3.56Å; M366-Q389 WeakPolarHBondContact CB-O 3.38Å; M366-M390 HydrophobicContact CB-CB 4.32Å; M366-M390 HydrophobicContact CB-CG 4.44Å; M366-M390 HydrophobicContact CE-CG 3.77Å; M366-M390 HydrophobicContact CE-SD 3.42Å; M366-M390 WeakPolarHBondContact CE-SD 3.21Å; M366-M390 HydrophobicContact SD-SD 4.38Å
367N93.8Very high91.9Very high56 Ų5633.6 Ų33.630%0.29920%0.203SC..  trans-89.6165.916873.51.3000111.4V331 D332 E369 T370 F371V331-N367 HydrophobicContact CG2-CB 4.31Å; D332-N367 VanDerWaalsContact OD1-CA 3.26Å; D332-N367 WeakPolarHBondContact OD1-CA 3.46Å; N367-E369 PolarHBondContact O-N 3.05Å; N367-T370 PolarHBondContact O-N 3.4Å; N367-T370 WeakPolarHBondContact OD1-CB 3.23Å; N367-T370 PolarHBondContact OD1-N 3.3Å; N367-T370 PolarHBondContact OD1-OG1 3.21Å; N367-F371 PolarHBondContact O-N 3.06Å
368G94Very high92.1Very high0 Ų036.6 Ų36.60%021%0.214CC..Hα-helixtrans-65.8-38-173.100000113V299 D332 T370 F371 V372V299-G368 VanDerWaalsContact CG1-CA 3.49Å; D332-G368 PolarHBondContact OD1-N 3.05Å; D332-G368 PolarHBondContact OD2-N 3.32Å; G368-T370 VanDerWaalsContact C-N 3.34Å; G368-T370 PolarHBondContact O-N 2.9Å; G368-F371 WeakPolarHBondContact O-CB 3.17Å; G368-F371 PolarHBondContact O-N 3.33Å; G368-V372 WeakPolarHBondContact O-CG2 3.47Å; G368-V372 PolarHBondContact O-N 2.85Å
369E92.9Very high92.2Very high129 Ų12932.3 Ų32.360%0.60318%0.182SC*.Hα-helixtrans-60.3-43.2174-70.2-178.1168.300112.2V299 N367 S373V299-E369 HydrophobicContact CG2-CG 4.29Å; N367-E369 PolarHBondContact O-N 3.05Å; E369-S373 VanDerWaalsContact O-CB 3.3Å; E369-S373 WeakPolarHBondContact O-CB 3.37Å; E369-S373 PolarHBondContact O-N 3.35Å; E369-S373 PolarHBondContact O-OG 3.37Å
370T92.7Very high92.1Very high5 Ų532.7 Ų32.73%0.03118%0.184CC..Hα-helixtrans-64.4-43.7176-61.60000110.3M366 N367 G368 S373 L374 L379 A384 Q389M366-T370 HydrophobicContact CB-CG2 4.04Å; M366-T370 HydrophobicContact CG-CG2 4.48Å; M366-T370 HydrophobicContact SD-CG2 4.1Å; N367-T370 PolarHBondContact O-N 3.4Å; N367-T370 WeakPolarHBondContact OD1-CB 3.23Å; N367-T370 PolarHBondContact OD1-N 3.3Å; N367-T370 PolarHBondContact OD1-OG1 3.21Å; G368-T370 VanDerWaalsContact C-N 3.34Å; G368-T370 PolarHBondContact O-N 2.9Å; T370-S373 PolarHBondContact O-N 2.72Å; T370-L374 HydrophobicContact CG2-CD1 4.07Å; T370-L374 HydrophobicContact CG2-CG 4.39Å; T370-L374 WeakPolarHBondContact O-CB 3.49Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.28Å; T370-L374 PolarHBondContact O-N 2.8Å; T370-L379 HydrophobicContact CG2-CD2 3.88Å; T370-A384 HydrophobicContact CG2-CB 4.12Å; T370-Q389 HydrophobicContact CG2-CB 4.07Å
371F95Very high91.7Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-58.1-52.7177.3179.6-92.3000111.4T303 I306 F307 F328 I330 M366 N367 G368 S373 L374 F375T303-F371 HydrophobicContact CG2-CD1 4.2Å; T303-F371 HydrophobicContact CG2-CE1 3.84Å; I306-F371 HydrophobicContact CB-CE1 4.25Å; I306-F371 HydrophobicContact CD1-CD1 4.09Å; I306-F371 HydrophobicContact CD1-CE1 3.76Å; I306-F371 HydrophobicContact CG2-CE1 3.91Å; I306-F371 HydrophobicContact CG2-CZ 4.03Å; F307-F371 HydrophobicContact CD2-CZ 4.24Å; F307-F371 HydrophobicContact CE2-CE1 4.05Å; F307-F371 HydrophobicContact CE2-CE2 4.2Å; F307-F371 AromaticContact CE2-CZ 3.39Å; F307-F371 HydrophobicContact CE2-CZ 3.39Å; F307-F371 HydrophobicContact CZ-CE2 4.44Å; F307-F371 AromaticContact CZ-CZ 3.95Å; F307-F371 HydrophobicContact CZ-CZ 3.95Å; F328-F371 HydrophobicContact CB-CD2 4.4Å; F328-F371 HydrophobicContact CB-CE2 4.04Å; F328-F371 HydrophobicContact CD1-CD2 4.21Å; F328-F371 AromaticContact CD1-CE2 3.82Å; F328-F371 HydrophobicContact CD1-CE2 3.82Å; F328-F371 HydrophobicContact CD2-CE2 4.34Å; F328-F371 HydrophobicContact CE1-CE2 4.38Å; F328-F371 HydrophobicContact CG-CD2 4.43Å; F328-F371 AromaticContact CG-CE2 3.81Å; F328-F371 HydrophobicContact CG-CE2 3.81Å; I330-F371 HydrophobicContact CD1-CB 4.14Å; I330-F371 HydrophobicContact CD1-CD1 3.79Å; I330-F371 HydrophobicContact CD1-CD2 3.73Å; I330-F371 HydrophobicContact CD1-CE1 4.14Å; I330-F371 HydrophobicContact CD1-CE2 4.06Å; I330-F371 HydrophobicContact CD1-CG 3.59Å; I330-F371 HydrophobicContact CD1-CZ 4.28Å; I330-F371 HydrophobicContact CG1-CB 4.37Å; I330-F371 HydrophobicContact CG1-CD2 4.1Å; I330-F371 HydrophobicContact CG1-CG 4.18Å; M366-F371 HydrophobicContact CG-CB 4.06Å; M366-F371 WeakPolarHBondContact SD-CA 3.18Å; M366-F371 HydrophobicContact SD-CB 3.71Å; M366-F371 HydrophobicContact SD-CD2 4.02Å; M366-F371 HydrophobicContact SD-CG 4.37Å; N367-F371 PolarHBondContact O-N 3.06Å; G368-F371 WeakPolarHBondContact O-CB 3.17Å; G368-F371 PolarHBondContact O-N 3.33Å; F371-S373 VanDerWaalsContact C-N 3.34Å; F371-S373 PolarHBondContact O-N 2.86Å; F371-L374 PolarHBondContact O-N 2.89Å; F371-F375 HydrophobicContact CD1-CD2 4.36Å; F371-F375 AromaticContact CD2-CD2 3.97Å; F371-F375 HydrophobicContact CD2-CD2 3.97Å; F371-F375 AromaticContact CD2-CE2 3.81Å; F371-F375 HydrophobicContact CD2-CE2 3.81Å; F371-F375 HydrophobicContact CE1-CD2 4.02Å; F371-F375 HydrophobicContact CE1-CE2 4.37Å; F371-F375 HydrophobicContact CE1-CG 4.5Å; F371-F375 AromaticContact CE2-CD2 3.61Å; F371-F375 HydrophobicContact CE2-CD2 3.61Å; F371-F375 AromaticContact CE2-CE2 3.2Å; F371-F375 HydrophobicContact CE2-CE2 3.2Å; F371-F375 AromaticContact CE2-CZ 3.98Å; F371-F375 HydrophobicContact CE2-CZ 3.98Å; F371-F375 HydrophobicContact CG-CD2 4.32Å; F371-F375 AromaticContact CZ-CD2 3.61Å; F371-F375 HydrophobicContact CZ-CD2 3.61Å; F371-F375 AromaticContact CZ-CE2 3.52Å; F371-F375 HydrophobicContact CZ-CE2 3.52Å; F371-F375 HydrophobicContact CZ-CG 4.26Å; F371-F375 HydrophobicContact CZ-CZ 4.09Å; F371-F375 WeakPolarHBondContact O-CD2 3.48Å; F371-F375 PolarHBondContact O-N 2.8Å; F371-F375 VanDerWaalsContact O-N 3.07Å
372V93.7Very high91.1Very high19 Ų1934.5 Ų34.512%0.11519%0.189CC..Hα-helixtrans-59.3-45.7178.6169.60000111.1V299 E302 I306 G368 L374 F375 N376V299-V372 HydrophobicContact CG1-CG2 4.01Å; E302-V372 HydrophobicContact CB-CG1 4.44Å; E302-V372 HydrophobicContact CB-CG2 3.99Å; E302-V372 HydrophobicContact CG-CB 4.38Å; E302-V372 HydrophobicContact CG-CG1 3.57Å; E302-V372 HydrophobicContact CG-CG2 3.86Å; I306-V372 HydrophobicContact CD1-CB 4.42Å; I306-V372 HydrophobicContact CD1-CG2 4.08Å; G368-V372 WeakPolarHBondContact O-CG2 3.47Å; G368-V372 PolarHBondContact O-N 2.85Å; V372-L374 VanDerWaalsContact C-N 3.32Å; V372-L374 PolarHBondContact O-N 2.68Å; V372-F375 PolarHBondContact O-N 3.21Å; V372-N376 WeakPolarHBondContact O-CB 3.14Å; V372-N376 PolarHBondContact O-N 2.77Å
373S90.8Very high90.5Very high34 Ų3435.2 Ų35.224%0.23819%0.194CC..Hα-helixtrans-62.2-38.2179.9-59.20000112.6E369 T370 F371 G377 Q378 L379E369-S373 VanDerWaalsContact O-CB 3.3Å; E369-S373 WeakPolarHBondContact O-CB 3.37Å; E369-S373 PolarHBondContact O-N 3.35Å; E369-S373 PolarHBondContact O-OG 3.37Å; T370-S373 PolarHBondContact O-N 2.72Å; F371-S373 VanDerWaalsContact C-N 3.34Å; F371-S373 PolarHBondContact O-N 2.86Å; S373-G377 PolarHBondContact O-N 3.22Å; S373-Q378 PolarHBondContact O-N 2.88Å; S373-L379 PolarHBondContact O-N 2.77Å
374L91.8Very high90.1Very high3 Ų333.6 Ų33.62%0.01619%0.185CC..Hα-helixtrans-64.5-48.8175.8-74.8171.1000111.2M366 T370 F371 V372 N376 G377 L379 P381 A384 M390 L406M366-L374 HydrophobicContact CE-CD1 4.01Å; M366-L374 HydrophobicContact SD-CD1 3.56Å; M366-L374 VanDerWaalsContact SD-CD1 3.56Å; T370-L374 HydrophobicContact CG2-CD1 4.07Å; T370-L374 HydrophobicContact CG2-CG 4.39Å; T370-L374 WeakPolarHBondContact O-CB 3.49Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.28Å; T370-L374 PolarHBondContact O-N 2.8Å; F371-L374 PolarHBondContact O-N 2.89Å; V372-L374 VanDerWaalsContact C-N 3.32Å; V372-L374 PolarHBondContact O-N 2.68Å; L374-N376 VanDerWaalsContact C-N 3.34Å; L374-N376 PolarHBondContact O-N 3.31Å; L374-G377 PolarHBondContact O-N 3.22Å; L374-L379 HydrophobicContact CD2-CB 4.22Å; L374-L379 HydrophobicContact CD2-CD2 4.32Å; L374-L379 HydrophobicContact CD2-CG 4.05Å; L374-L379 WeakPolarHBondContact CD2-O 3.45Å; L374-L379 HydrophobicContact CG-CD2 4.36Å; L374-P381 HydrophobicContact CD2-CB 4.33Å; L374-P381 HydrophobicContact CD2-CG 4.07Å; L374-A384 HydrophobicContact CD1-CB 4.42Å; L374-A384 HydrophobicContact CD2-CB 3.95Å; L374-A384 HydrophobicContact CG-CB 4.5Å; L374-M390 HydrophobicContact CD1-SD 3.73Å; L374-L406 HydrophobicContact CB-CD1 4.44Å
375F92.3Very high89.6Confident4 Ų437.3 Ų37.32%0.01820%0.201CC..Hα-helixtrans-72.8-27.8-175.4-84.6-93.4000113.5I306 L310 F328 F371 V372 G377 L402 L406 L409 N410I306-F375 HydrophobicContact CD1-CB 3.73Å; I306-F375 HydrophobicContact CD1-CG 4.48Å; I306-F375 HydrophobicContact CG1-CB 3.99Å; I306-F375 HydrophobicContact CG2-CB 3.77Å; I306-F375 HydrophobicContact CG2-CD1 3.45Å; I306-F375 VanDerWaalsContact CG2-CD1 3.45Å; I306-F375 HydrophobicContact CG2-CD2 4.37Å; I306-F375 HydrophobicContact CG2-CE1 4.13Å; I306-F375 HydrophobicContact CG2-CG 3.59Å; L310-F375 HydrophobicContact CD1-CD1 4.42Å; L310-F375 HydrophobicContact CD1-CE1 3.83Å; L310-F375 HydrophobicContact CD2-CE1 4.24Å; L310-F375 HydrophobicContact CG-CE1 4.41Å; F328-F375 HydrophobicContact CD1-CE2 4.45Å; F328-F375 AromaticContact CE1-CE2 3.95Å; F328-F375 HydrophobicContact CE1-CE2 3.95Å; F328-F375 AromaticContact CE1-CZ 3.94Å; F328-F375 HydrophobicContact CE1-CZ 3.94Å; F328-F375 HydrophobicContact CE2-CZ 4.3Å; F328-F375 HydrophobicContact CZ-CE2 4.2Å; F328-F375 AromaticContact CZ-CZ 3.71Å; F328-F375 HydrophobicContact CZ-CZ 3.71Å; F371-F375 HydrophobicContact CD1-CD2 4.36Å; F371-F375 AromaticContact CD2-CD2 3.97Å; F371-F375 HydrophobicContact CD2-CD2 3.97Å; F371-F375 AromaticContact CD2-CE2 3.81Å; F371-F375 HydrophobicContact CD2-CE2 3.81Å; F371-F375 HydrophobicContact CE1-CD2 4.02Å; F371-F375 HydrophobicContact CE1-CE2 4.37Å; F371-F375 HydrophobicContact CE1-CG 4.5Å; F371-F375 AromaticContact CE2-CD2 3.61Å; F371-F375 HydrophobicContact CE2-CD2 3.61Å; F371-F375 AromaticContact CE2-CE2 3.2Å; F371-F375 HydrophobicContact CE2-CE2 3.2Å; F371-F375 AromaticContact CE2-CZ 3.98Å; F371-F375 HydrophobicContact CE2-CZ 3.98Å; F371-F375 HydrophobicContact CG-CD2 4.32Å; F371-F375 AromaticContact CZ-CD2 3.61Å; F371-F375 HydrophobicContact CZ-CD2 3.61Å; F371-F375 AromaticContact CZ-CE2 3.52Å; F371-F375 HydrophobicContact CZ-CE2 3.52Å; F371-F375 HydrophobicContact CZ-CG 4.26Å; F371-F375 HydrophobicContact CZ-CZ 4.09Å; F371-F375 WeakPolarHBondContact O-CD2 3.48Å; F371-F375 PolarHBondContact O-N 2.8Å; F371-F375 VanDerWaalsContact O-N 3.07Å; V372-F375 PolarHBondContact O-N 3.21Å; F375-G377 VanDerWaalsContact C-N 3.29Å; F375-G377 PolarHBondContact O-N 3.14Å; F375-L402 HydrophobicContact CZ-CD1 4.29Å; F375-L406 HydrophobicContact CB-CD2 4.34Å; F375-L406 HydrophobicContact CD1-CD2 3.33Å; F375-L406 HydrophobicContact CD2-CD2 4.09Å; F375-L406 HydrophobicContact CE1-CD2 3.46Å; F375-L406 VanDerWaalsContact CE1-CD2 3.46Å; F375-L406 HydrophobicContact CE2-CD2 4.2Å; F375-L406 HydrophobicContact CG-CD2 3.68Å; F375-L406 HydrophobicContact CZ-CD2 3.92Å; F375-L409 HydrophobicContact CD1-CD1 4.2Å; F375-L409 HydrophobicContact CE1-CD1 4.27Å; F375-N410 PolarHBondContact O-ND2 2.8Å; F375-N410 PolarHBondContact O-OD1 2.84Å; F375-N410 VanDerWaalsContact O-OD1 3.05Å
376N88.4Confident88.8Confident42 Ų4238 Ų3823%0.22520%0.203CC..THydrogen-bonded Turntrans-87.18.1173.2-69.9-19.1000113.6E302 R309 V372 L374 Q378 N410E302-N376 PolarHBondContact OE1-ND2 2.82Å; E302-N376 VanDerWaalsContact OE1-ND2 3.15Å; R309-N376 PolarHBondContact NH2-OD1 3.21Å; V372-N376 WeakPolarHBondContact O-CB 3.14Å; V372-N376 PolarHBondContact O-N 2.77Å; L374-N376 VanDerWaalsContact C-N 3.34Å; L374-N376 PolarHBondContact O-N 3.31Å; N376-Q378 HydrophobicContact CB-CG 4.37Å; N376-Q378 PolarHBondContact O-N 3.33Å; N376-N410 VanDerWaalsContact C-OD1 3.28Å; N376-N410 WeakPolarHBondContact CA-OD1 3.44Å
377G86.9Confident88.2Confident49 Ų4940 Ų4051%0.50521%0.214SC..THydrogen-bonded Turntrans71.512.8174.500000115S373 L374 F375 N410S373-G377 PolarHBondContact O-N 3.22Å; L374-G377 PolarHBondContact O-N 3.22Å; F375-G377 VanDerWaalsContact C-N 3.29Å; F375-G377 PolarHBondContact O-N 3.14Å; G377-N410 PolarHBondContact N-ND2 2.84Å
378Q86.3Confident87.7Confident138 Ų13839.5 Ų39.565%0.64522%0.222SC*.SBendtrans-84.1-22.5-179.8-63.2172.1-26.200112.2S373 N376S373-Q378 PolarHBondContact O-N 2.88Å; N376-Q378 HydrophobicContact CB-CG 4.37Å; N376-Q378 PolarHBondContact O-N 3.33Å
379L85.1Confident87.3Confident31 Ų3143.3 Ų43.316%0.16224%0.239CC..SBendtrans-130.1137.2177.7-176.360.8000109.1T370 S373 L374 V383 A384T370-L379 HydrophobicContact CG2-CD2 3.88Å; S373-L379 PolarHBondContact O-N 2.77Å; L374-L379 HydrophobicContact CD2-CB 4.22Å; L374-L379 HydrophobicContact CD2-CD2 4.32Å; L374-L379 HydrophobicContact CD2-CG 4.05Å; L374-L379 WeakPolarHBondContact CD2-O 3.45Å; L374-L379 HydrophobicContact CG-CD2 4.36Å; L379-V383 HydrophobicContact CD1-CB 4.16Å; L379-V383 HydrophobicContact CD1-CG1 3.79Å; L379-A384 HydrophobicContact CD2-CB 3.7Å; L379-A384 HydrophobicContact CG-CB 4.03Å
380S86.6Confident87.2Confident17 Ų1737.2 Ų37.212%0.11921%0.211CC..  trans-85.1143.4173.677.80000110.9K382 V383 A384S380-K382 PolarHBondContact O-N 2.88Å; S380-V383 PolarHBondContact O-N 3.36Å; S380-V383 VanDerWaalsContact O-N 3.09Å; S380-V383 WeakPolarHBondContact OG-CB 3.36Å; S380-V383 WeakPolarHBondContact OG-CG2 3.45Å; S380-V383 PolarHBondContact OG-N 3.17Å; S380-A384 PolarHBondContact O-N 3.12Å
381P86.2Confident87.1Confident20 Ų2042.9 Ų42.913%0.1324%0.235CC..Hα-helixtrans-54.7-36.8176.5-2935.5000113.5L374 F385 M390 E403 L406L374-P381 HydrophobicContact CD2-CB 4.33Å; L374-P381 HydrophobicContact CD2-CG 4.07Å; P381-F385 WeakPolarHBondContact O-CB 3.2Å; P381-F385 PolarHBondContact O-N 3.12Å; P381-M390 HydrophobicContact CB-CE 4.11Å; P381-M390 WeakPolarHBondContact O-CE 3.38Å; P381-E403 HydrophobicContact CG-CB 4.14Å; P381-E403 HydrophobicContact CG-CG 4.18Å; P381-L406 HydrophobicContact CG-CD1 3.63Å
382K82.1Confident87Confident99 Ų9944.3 Ų44.343%0.4324%0.243SC..Hα-helixtrans-65.2-45.4177.6-68.6-175.8-175.4107.60111.6S380 F385 M386 E403S380-K382 PolarHBondContact O-N 2.88Å; K382-F385 PolarHBondContact O-N 3.28Å; K382-M386 WeakPolarHBondContact O-CB 3.29Å; K382-M386 VanDerWaalsContact O-CG 3.22Å; K382-M386 WeakPolarHBondContact O-CG 3.38Å; K382-M386 PolarHBondContact O-N 3.27Å; K382-E403 WeakPolarHBondContact CE-OE2 3.13Å; K382-E403 IonicContact NZ-OE1 2.95Å; K382-E403 PolarHBondContact NZ-OE1 3.29Å; K382-E403 IonicContact NZ-OE2 2.9Å; K382-E403 PolarHBondContact NZ-OE2 2.88Å
383V81.9Confident86.8Confident15 Ų1548.8 Ų48.89%0.09127%0.265CS..Hα-helixtrans-65.2-46.6178.8172.10000110.5V215 L379 S380 F385 M386 N387V215-V383 HydrophobicContact CG1-CG2 4.32Å; L379-V383 HydrophobicContact CD1-CB 4.16Å; L379-V383 HydrophobicContact CD1-CG1 3.79Å; S380-V383 PolarHBondContact O-N 3.36Å; S380-V383 VanDerWaalsContact O-N 3.09Å; S380-V383 WeakPolarHBondContact OG-CB 3.36Å; S380-V383 WeakPolarHBondContact OG-CG2 3.45Å; S380-V383 PolarHBondContact OG-N 3.17Å; V383-F385 VanDerWaalsContact C-N 3.29Å; V383-F385 PolarHBondContact O-N 2.92Å; V383-M386 HydrophobicContact CG2-CE 4.26Å; V383-M386 PolarHBondContact O-N 3.2Å; V383-N387 WeakPolarHBondContact O-CB 3.32Å; V383-N387 VanDerWaalsContact O-CG 3.3Å; V383-N387 PolarHBondContact O-N 2.79Å
384A85.6Confident86.7Confident0 Ų049.6 Ų49.60%028%0.278CS..Hα-helixtrans-57.3-42177.300000112.4T370 L374 L379 S380 G388 Q389 M390T370-A384 HydrophobicContact CG2-CB 4.12Å; L374-A384 HydrophobicContact CD1-CB 4.42Å; L374-A384 HydrophobicContact CD2-CB 3.95Å; L374-A384 HydrophobicContact CG-CB 4.5Å; L379-A384 HydrophobicContact CD2-CB 3.7Å; L379-A384 HydrophobicContact CG-CB 4.03Å; S380-A384 PolarHBondContact O-N 3.12Å; A384-G388 PolarHBondContact O-N 2.94Å; A384-Q389 PolarHBondContact O-N 3.29Å; A384-M390 HydrophobicContact CB-CB 3.94Å; A384-M390 HydrophobicContact CB-CE 4.33Å; A384-M390 PolarHBondContact O-N 3.31Å
385F84.6Confident86.4Confident81 Ų8153.6 Ų53.636%0.35530%0.3SS..Hα-helixtrans-68.3-46.9176.6179.4-104.8000112.4P381 K382 V383 N387 G388 M390 I392P381-F385 WeakPolarHBondContact O-CB 3.2Å; P381-F385 PolarHBondContact O-N 3.12Å; K382-F385 PolarHBondContact O-N 3.28Å; V383-F385 VanDerWaalsContact C-N 3.29Å; V383-F385 PolarHBondContact O-N 2.92Å; F385-N387 VanDerWaalsContact C-N 3.26Å; F385-N387 PolarHBondContact O-N 3.26Å; F385-G388 PolarHBondContact O-N 3.38Å; F385-G388 VanDerWaalsContact O-N 3.07Å; F385-M390 HydrophobicContact CB-CE 4.12Å; F385-M390 WeakPolarHBondContact CD2-O 3.23Å; F385-I392 HydrophobicContact CB-CD1 4.25Å; F385-I392 HydrophobicContact CD2-CB 4.28Å; F385-I392 HydrophobicContact CD2-CD1 3.63Å; F385-I392 HydrophobicContact CD2-CG1 3.66Å; F385-I392 HydrophobicContact CE2-CB 4.13Å; F385-I392 HydrophobicContact CE2-CD1 4.13Å; F385-I392 HydrophobicContact CE2-CG1 4.03Å; F385-I392 HydrophobicContact CG-CD1 3.96Å; F385-I392 HydrophobicContact CG-CG1 4.45Å
386M79.2Confident86Confident49 Ų4957.8 Ų57.824%0.24132%0.32CS..Hα-helixtrans-61.2-36179.4-74.5-170.7-50.200112.4L106 L209 K382 V383 G388L106-M386 HydrophobicContact CB-SD 4.43Å; L106-M386 HydrophobicContact CD1-SD 3.85Å; L209-M386 WeakPolarHBondContact O-CE 3.46Å; K382-M386 WeakPolarHBondContact O-CB 3.29Å; K382-M386 VanDerWaalsContact O-CG 3.22Å; K382-M386 WeakPolarHBondContact O-CG 3.38Å; K382-M386 PolarHBondContact O-N 3.27Å; V383-M386 HydrophobicContact CG2-CE 4.26Å; V383-M386 PolarHBondContact O-N 3.2Å; M386-G388 VanDerWaalsContact C-N 3.26Å; M386-G388 PolarHBondContact O-N 2.91Å
387N81.4Confident85.8Confident50 Ų5059 Ų5927%0.26734%0.336SS..THydrogen-bonded Turntrans-80.5-3178.3-69.8-5.6000113.6Q271 V383 F385 Q389Q271-N387 PolarHBondContact OE1-ND2 3.18Å; V383-N387 WeakPolarHBondContact O-CB 3.32Å; V383-N387 VanDerWaalsContact O-CG 3.3Å; V383-N387 PolarHBondContact O-N 2.79Å; F385-N387 VanDerWaalsContact C-N 3.26Å; F385-N387 PolarHBondContact O-N 3.26Å; N387-Q389 HydrophobicContact CB-CG 4.03Å; N387-Q389 PolarHBondContact ND2-OE1 3.16Å; N387-Q389 PolarHBondContact O-N 2.67Å
388G83.4Confident85.8Confident45 Ų4557.7 Ų57.746%0.46432%0.318SS..THydrogen-bonded Turntrans728.2-176.900000114.9A384 F385 M386 M390A384-G388 PolarHBondContact O-N 2.94Å; F385-G388 PolarHBondContact O-N 3.38Å; F385-G388 VanDerWaalsContact O-N 3.07Å; M386-G388 VanDerWaalsContact C-N 3.26Å; M386-G388 PolarHBondContact O-N 2.91Å; G388-M390 VanDerWaalsContact C-N 3.26Å
389Q85.7Confident85.9Confident79 Ų7951.5 Ų51.537%0.36929%0.291SS..SBendtrans-71.2-25.2174.2-62.4172.4-88.500111.7M366 T370 A384 N387M366-Q389 WeakPolarHBondContact CB-O 3.38Å; T370-Q389 HydrophobicContact CG2-CB 4.07Å; A384-Q389 PolarHBondContact O-N 3.29Å; N387-Q389 HydrophobicContact CB-CG 4.03Å; N387-Q389 PolarHBondContact ND2-OE1 3.16Å; N387-Q389 PolarHBondContact O-N 2.67Å
390M91.2Very high85.9Confident2 Ų254.1 Ų54.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-128.7135175.5-179.4174.467.900110.6F364 T365 M366 L374 P381 A384 F385 G388 I392F364-M390 HydrophobicContact CB-SD 4.43Å; F364-M390 HydrophobicContact CD1-CE 4.25Å; F364-M390 HydrophobicContact CD1-CG 4.25Å; F364-M390 HydrophobicContact CD1-SD 3.58Å; F364-M390 VanDerWaalsContact CD1-SD 3.58Å; F364-M390 HydrophobicContact CE1-CE 4.43Å; F364-M390 HydrophobicContact CE1-SD 4.25Å; F364-M390 HydrophobicContact CG-SD 4.35Å; T365-M390 CarbonylContact O-C 3.59Å; T365-M390 WeakPolarHBondContact O-CA 3.48Å; M366-M390 HydrophobicContact CB-CB 4.32Å; M366-M390 HydrophobicContact CB-CG 4.44Å; M366-M390 HydrophobicContact CE-CG 3.77Å; M366-M390 HydrophobicContact CE-SD 3.42Å; M366-M390 WeakPolarHBondContact CE-SD 3.21Å; M366-M390 HydrophobicContact SD-SD 4.38Å; L374-M390 HydrophobicContact CD1-SD 3.73Å; P381-M390 HydrophobicContact CB-CE 4.11Å; P381-M390 WeakPolarHBondContact O-CE 3.38Å; A384-M390 HydrophobicContact CB-CB 3.94Å; A384-M390 HydrophobicContact CB-CE 4.33Å; A384-M390 PolarHBondContact O-N 3.31Å; F385-M390 HydrophobicContact CB-CE 4.12Å; F385-M390 WeakPolarHBondContact CD2-O 3.23Å; G388-M390 VanDerWaalsContact C-N 3.26Å; M390-I392 HydrophobicContact CE-CD1 4.06Å; M390-I392 HydrophobicContact CE-CG1 4.23Å
391K91.2Very high85.8Confident123 Ų12356.9 Ų56.954%0.53531%0.314SS..EExtended strand (participates in β ladder)trans-104.2146.6168-62.1175.1-174.9166.60109.4F364 T365F364-K391 CarbonylContact C-O 3.57Å; F364-K391 WeakPolarHBondContact CA-O 3.42Å; T365-K391 PolarHBondContact N-O 2.78Å; T365-K391 PolarHBondContact O-N 3.45Å
392I92.2Very high85.6Confident31 Ų3156 Ų5616%0.15931%0.309CS..EExtended strand (participates in β ladder)trans-125.1128.6177.9-54.1173.3000107.9V362 D363 F364 F385 M390 M396 A399V362-I392 HydrophobicContact CG1-CG2 3.69Å; D363-I392 CarbonylContact O-C 3.17Å; D363-I392 WeakPolarHBondContact O-CA 3.25Å; F364-I392 HydrophobicContact CD1-CD1 4.44Å; F364-I392 HydrophobicContact CD1-CG1 3.78Å; F364-I392 HydrophobicContact CD1-CG2 4.46Å; F364-I392 HydrophobicContact CE1-CD1 4.04Å; F364-I392 HydrophobicContact CE1-CG1 3.83Å; F364-I392 HydrophobicContact CE1-CG2 4.18Å; F385-I392 HydrophobicContact CB-CD1 4.25Å; F385-I392 HydrophobicContact CD2-CB 4.28Å; F385-I392 HydrophobicContact CD2-CD1 3.63Å; F385-I392 HydrophobicContact CD2-CG1 3.66Å; F385-I392 HydrophobicContact CE2-CB 4.13Å; F385-I392 HydrophobicContact CE2-CD1 4.13Å; F385-I392 HydrophobicContact CE2-CG1 4.03Å; F385-I392 HydrophobicContact CG-CD1 3.96Å; F385-I392 HydrophobicContact CG-CG1 4.45Å; M390-I392 HydrophobicContact CE-CD1 4.06Å; M390-I392 HydrophobicContact CE-CG1 4.23Å; I392-M396 HydrophobicContact CB-SD 4.14Å; I392-M396 HydrophobicContact CD1-CE 4.04Å; I392-M396 HydrophobicContact CD1-SD 4.36Å; I392-M396 HydrophobicContact CG2-SD 3.77Å; I392-A399 HydrophobicContact CD1-CB 4.46Å; I392-A399 HydrophobicContact CG2-CB 3.89Å
393I90.2Very high85.5Confident113 Ų11353.9 Ų53.958%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-122.2135170.6-59.3172.7000107.3V362 D363V362-I393 CarbonylContact C-O 3.48Å; V362-I393 WeakPolarHBondContact CA-O 3.31Å; D363-I393 HydrophobicContact CB-CB 4.23Å; D363-I393 PolarHBondContact N-O 2.95Å; D363-I393 PolarHBondContact O-N 2.86Å
394G88.5Confident85.2Confident51 Ų5160.5 Ų60.553%0.52633%0.328SS..EExtended strand (participates in β ladder)trans114.6-156.2-179.200000113.3D361 M396D361-G394 WeakPolarHBondContact O-CA 3.23Å; G394-M396 PolarHBondContact O-N 3.05Å
395N85Confident84.9Confident86 Ų8661 Ų6146%0.4633%0.331SS..  trans-77.7113-173.3-174.3-48.1000111.8D361 A397 T398 A399D361-N395 PolarHBondContact O-N 3.15Å; D361-N395 VanDerWaalsContact O-N 3.16Å; N395-A397 VanDerWaalsContact C-N 3.34Å; N395-A397 PolarHBondContact O-N 2.89Å; N395-A397 WeakPolarHBondContact OD1-CA 3.37Å; N395-A397 WeakPolarHBondContact OD1-CB 3.47Å; N395-A397 PolarHBondContact OD1-N 3.24Å; N395-T398 WeakPolarHBondContact O-CB 3.48Å; N395-T398 PolarHBondContact O-N 3.46Å; N395-T398 VanDerWaalsContact O-N 3.12Å; N395-T398 PolarHBondContact OD1-N 2.9Å; N395-T398 PolarHBondContact OD1-OG1 2.92Å; N395-A399 PolarHBondContact O-N 2.98Å
396M84Confident84.7Confident92 Ų9257.5 Ų57.545%0.45332%0.316SS..Hα-helixtrans-63.8-32.8-178.7-70.9-59.4-6100114.3I392 G394 T398 A399 L400I392-M396 HydrophobicContact CB-SD 4.14Å; I392-M396 HydrophobicContact CD1-CE 4.04Å; I392-M396 HydrophobicContact CD1-SD 4.36Å; I392-M396 HydrophobicContact CG2-SD 3.77Å; G394-M396 PolarHBondContact O-N 3.05Å; M396-T398 VanDerWaalsContact C-N 3.31Å; M396-A399 PolarHBondContact O-N 3.36Å; M396-L400 WeakPolarHBondContact O-CG 3.46Å; M396-L400 PolarHBondContact O-N 2.67Å
397A84.7Confident84.3Confident68 Ų6858.1 Ų58.156%0.56233%0.325SS*.Hα-helixtrans-68.5-35.4175.600000111N395N395-A397 VanDerWaalsContact C-N 3.34Å; N395-A397 PolarHBondContact O-N 2.89Å; N395-A397 WeakPolarHBondContact OD1-CA 3.37Å; N395-A397 WeakPolarHBondContact OD1-CB 3.47Å; N395-A397 PolarHBondContact OD1-N 3.24Å
398T87.7Confident83.8Confident21 Ų2161.3 Ų61.313%0.12934%0.338CS..Hα-helixtrans-68.4-40.1171.5-54.80000111.5A324 F326 D361 V362 N395 M396 L400 K401A324-T398 HydrophobicContact CB-CG2 3.28Å; F326-T398 HydrophobicContact CE1-CG2 4.04Å; F326-T398 HydrophobicContact CZ-CG2 4.25Å; D361-T398 HydrophobicContact CB-CG2 4.25Å; V362-T398 HydrophobicContact CG2-CG2 3.74Å; N395-T398 WeakPolarHBondContact O-CB 3.48Å; N395-T398 PolarHBondContact O-N 3.46Å; N395-T398 VanDerWaalsContact O-N 3.12Å; N395-T398 PolarHBondContact OD1-N 2.9Å; N395-T398 PolarHBondContact OD1-OG1 2.92Å; M396-T398 VanDerWaalsContact C-N 3.31Å; T398-L400 PolarHBondContact O-N 3.08Å; T398-K401 VanDerWaalsContact O-CB 3.23Å; T398-K401 WeakPolarHBondContact O-CB 3.47Å; T398-K401 PolarHBondContact O-N 2.72Å
399A87.2Confident83.1Confident8 Ų860 Ų607%0.06632%0.32CS..Hα-helixtrans-58.9-35.9176.900000112.3V362 F364 I392 N395 M396 K401 L402V362-A399 HydrophobicContact CG1-CB 3.87Å; V362-A399 HydrophobicContact CG2-CB 4.27Å; F364-A399 HydrophobicContact CE1-CB 4.24Å; F364-A399 HydrophobicContact CZ-CB 4.08Å; I392-A399 HydrophobicContact CD1-CB 4.46Å; I392-A399 HydrophobicContact CG2-CB 3.89Å; N395-A399 PolarHBondContact O-N 2.98Å; M396-A399 PolarHBondContact O-N 3.36Å; A399-K401 PolarHBondContact O-N 3.22Å; A399-L402 VanDerWaalsContact O-CB 3.28Å; A399-L402 WeakPolarHBondContact O-CB 3.26Å; A399-L402 PolarHBondContact O-N 2.97Å; A399-L402 VanDerWaalsContact O-N 3.12Å
400L84.7Confident82.1Confident87 Ų8759.5 Ų59.546%0.45532%0.32SS..Hα-helixtrans-66.8-18.3174.9-69.6172.4000113.7M396 T398 L402 E403M396-L400 WeakPolarHBondContact O-CG 3.46Å; M396-L400 PolarHBondContact O-N 2.67Å; T398-L400 PolarHBondContact O-N 3.08Å; L400-L402 VanDerWaalsContact C-N 3.27Å; L400-E403 PolarHBondContact O-N 3.18Å
401K85.7Confident80.5Confident74 Ų7471.7 Ų71.732%0.32237%0.366SS..Hα-helixtrans-68.6-29.3172.5-58.5-172.6-175.8-172.70111.6T322 F326 T398 A399 E403 K404 L405T322-K401 HydrophobicContact CG2-CD 4.47Å; T322-K401 WeakPolarHBondContact O-CD 3.22Å; T322-K401 PolarHBondContact O-NZ 3.37Å; F326-K401 HydrophobicContact CZ-CB 4.45Å; T398-K401 VanDerWaalsContact O-CB 3.23Å; T398-K401 WeakPolarHBondContact O-CB 3.47Å; T398-K401 PolarHBondContact O-N 2.72Å; A399-K401 PolarHBondContact O-N 3.22Å; K401-E403 VanDerWaalsContact C-N 3.29Å; K401-E403 PolarHBondContact O-N 2.97Å; K401-K404 WeakPolarHBondContact O-CB 3.12Å; K401-K404 PolarHBondContact O-N 2.98Å; K401-L405 PolarHBondContact O-N 2.87Å
402L82Confident79.9Confident2 Ų269.2 Ų69.21%0.0136%0.358CS..Hα-helixtrans-59.3-40.6173.9-17766.3000111.3F326 F328 F364 F375 A399 L400 K404 L405 L406F326-L402 HydrophobicContact CE1-CB 4.37Å; F328-L402 HydrophobicContact CE1-CD1 4.42Å; F328-L402 HydrophobicContact CE1-CD2 3.77Å; F328-L402 HydrophobicContact CZ-CD1 3.94Å; F328-L402 HydrophobicContact CZ-CD2 4.11Å; F364-L402 HydrophobicContact CD2-CD2 4.16Å; F364-L402 HydrophobicContact CE1-CD2 3.99Å; F364-L402 HydrophobicContact CE2-CD2 3.52Å; F364-L402 HydrophobicContact CZ-CB 4.14Å; F364-L402 HydrophobicContact CZ-CD2 3.43Å; F364-L402 VanDerWaalsContact CZ-CD2 3.43Å; F364-L402 HydrophobicContact CZ-CG 4.4Å; F375-L402 HydrophobicContact CZ-CD1 4.29Å; A399-L402 VanDerWaalsContact O-CB 3.28Å; A399-L402 WeakPolarHBondContact O-CB 3.26Å; A399-L402 PolarHBondContact O-N 2.97Å; A399-L402 VanDerWaalsContact O-N 3.12Å; L400-L402 VanDerWaalsContact C-N 3.27Å; L402-K404 VanDerWaalsContact C-N 3.3Å; L402-K404 PolarHBondContact O-N 3.03Å; L402-L405 HydrophobicContact CD1-CD2 4.42Å; L402-L405 WeakPolarHBondContact O-CA 3.43Å; L402-L405 WeakPolarHBondContact O-CB 3.2Å; L402-L405 PolarHBondContact O-N 3.41Å; L402-L406 HydrophobicContact CD1-CG 4.4Å; L402-L406 HydrophobicContact CG-CD1 4.23Å; L402-L406 HydrophobicContact CG-CG 4.23Å; L402-L406 WeakPolarHBondContact O-CG 3.35Å; L402-L406 PolarHBondContact O-N 3.04Å
403E78.9Confident79.3Confident55 Ų5571.2 Ų71.226%0.25737%0.368SS..Hα-helixtrans-60.5-40.2178.4-170.3179.8-16800111.9P381 K382 L400 K401 L405 S407P381-E403 HydrophobicContact CG-CB 4.14Å; P381-E403 HydrophobicContact CG-CG 4.18Å; K382-E403 WeakPolarHBondContact CE-OE2 3.13Å; K382-E403 IonicContact NZ-OE1 2.95Å; K382-E403 PolarHBondContact NZ-OE1 3.29Å; K382-E403 IonicContact NZ-OE2 2.9Å; K382-E403 PolarHBondContact NZ-OE2 2.88Å; L400-E403 PolarHBondContact O-N 3.18Å; K401-E403 VanDerWaalsContact C-N 3.29Å; K401-E403 PolarHBondContact O-N 2.97Å; E403-L405 VanDerWaalsContact C-N 3.34Å; E403-S407 PolarHBondContact O-N 2.71Å; E403-S407 VanDerWaalsContact O-N 3.12Å
404K76.3Confident78.7Confident154 Ų15468.8 Ų68.867%0.6736%0.356SS*.Hα-helixtrans-64.1-41.4173.2-68.6-174.6178.3-176.50111.4K401 L402 S407 H408K401-K404 WeakPolarHBondContact O-CB 3.12Å; K401-K404 PolarHBondContact O-N 2.98Å; L402-K404 VanDerWaalsContact C-N 3.3Å; L402-K404 PolarHBondContact O-N 3.03Å; K404-S407 PolarHBondContact O-N 3.23Å; K404-S407 PolarHBondContact O-OG 3.36Å; K404-H408 PolarHBondContact O-N 3.22Å; K404-H408 PolarHBondContact O-ND1 3.45Å
405L78.4Confident78.1Confident10 Ų1069.9 Ų69.95%0.05235%0.346CS..Hα-helixtrans-63.9-45.2179.3-164.5136.8000111.4L310 L318 L340 L342 K401 L402 E403 S407 H408 L409L310-L405 HydrophobicContact CD2-CD2 3.97Å; L318-L405 HydrophobicContact CD1-CD1 3.9Å; L318-L405 HydrophobicContact CD1-CG 4.49Å; L318-L405 HydrophobicContact CD2-CD1 4.12Å; L318-L405 HydrophobicContact CG-CD1 4.24Å; L340-L405 HydrophobicContact CD2-CD1 4.29Å; L340-L405 HydrophobicContact CD2-CD2 3.94Å; L342-L405 HydrophobicContact CD1-CD1 3.29Å; K401-L405 PolarHBondContact O-N 2.87Å; L402-L405 HydrophobicContact CD1-CD2 4.42Å; L402-L405 WeakPolarHBondContact O-CA 3.43Å; L402-L405 WeakPolarHBondContact O-CB 3.2Å; L402-L405 PolarHBondContact O-N 3.41Å; E403-L405 VanDerWaalsContact C-N 3.34Å; L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.24Å; L405-H408 PolarHBondContact O-N 3.41Å; L405-H408 VanDerWaalsContact O-N 3.09Å; L405-L409 HydrophobicContact CD2-CD1 3.56Å; L405-L409 PolarHBondContact O-N 3.1Å; L405-L409 VanDerWaalsContact O-N 3.17Å
406L80.6Confident77.7Confident8 Ų868.9 Ų68.94%0.04234%0.339CS..Hα-helixtrans-59.8-35.5174.5-68.1179.9000113.1L374 F375 P381 L402 H408 L409 N410L374-L406 HydrophobicContact CB-CD1 4.44Å; F375-L406 HydrophobicContact CB-CD2 4.34Å; F375-L406 HydrophobicContact CD1-CD2 3.33Å; F375-L406 HydrophobicContact CD2-CD2 4.09Å; F375-L406 HydrophobicContact CE1-CD2 3.46Å; F375-L406 VanDerWaalsContact CE1-CD2 3.46Å; F375-L406 HydrophobicContact CE2-CD2 4.2Å; F375-L406 HydrophobicContact CG-CD2 3.68Å; F375-L406 HydrophobicContact CZ-CD2 3.92Å; P381-L406 HydrophobicContact CG-CD1 3.63Å; L402-L406 HydrophobicContact CD1-CG 4.4Å; L402-L406 HydrophobicContact CG-CD1 4.23Å; L402-L406 HydrophobicContact CG-CG 4.23Å; L402-L406 WeakPolarHBondContact O-CG 3.35Å; L402-L406 PolarHBondContact O-N 3.04Å; L406-H408 VanDerWaalsContact C-N 3.27Å; L406-H408 PolarHBondContact O-N 2.66Å; L406-L409 HydrophobicContact CD2-CD1 4.19Å; L406-L409 PolarHBondContact O-N 2.83Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 2.79Å
407S71.7Confident77.3Confident62 Ų6267.3 Ų67.343%0.43433%0.332SS..Hα-helixtrans-69.7-22.8177.372.30000113.9E403 K404 L405E403-S407 PolarHBondContact O-N 2.71Å; E403-S407 VanDerWaalsContact O-N 3.12Å; K404-S407 PolarHBondContact O-N 3.23Å; K404-S407 PolarHBondContact O-OG 3.36Å; L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.24Å
408H70.6Confident76.7Confident116 Ų11667.3 Ų67.354%0.53732%0.315SS..Hα-helixtrans-84.4-34.8174.6-71.380.9000111.9K404 L405 L406 N410 R411K404-H408 PolarHBondContact O-N 3.22Å; K404-H408 PolarHBondContact O-ND1 3.45Å; L405-H408 PolarHBondContact O-N 3.41Å; L405-H408 VanDerWaalsContact O-N 3.09Å; L406-H408 VanDerWaalsContact C-N 3.27Å; L406-H408 PolarHBondContact O-N 2.66Å; H408-N410 PolarHBondContact O-N 3.41Å; H408-R411 PolarHBondContact O-N 3.2Å
409L68.5Low75.9Confident17 Ų1770.8 Ų70.89%0.08933%0.329CS..Hα-helixtrans-65.2-25.3178.2-80.1155.4000114.3L310 Q313 F375 L405 L406L310-L409 HydrophobicContact CD2-CD1 3.56Å; L310-L409 HydrophobicContact CD2-CD2 3.91Å; L310-L409 HydrophobicContact CD2-CG 4.33Å; L310-L409 HydrophobicContact CG-CD1 4.47Å; L310-L409 HydrophobicContact CG-CD2 4.37Å; Q313-L409 VanDerWaalsContact CD-CD2 3.47Å; Q313-L409 HydrophobicContact CG-CD2 4.41Å; F375-L409 HydrophobicContact CD1-CD1 4.2Å; F375-L409 HydrophobicContact CE1-CD1 4.27Å; L405-L409 HydrophobicContact CD2-CD1 3.56Å; L405-L409 PolarHBondContact O-N 3.1Å; L405-L409 VanDerWaalsContact O-N 3.17Å; L406-L409 HydrophobicContact CD2-CD1 4.19Å; L406-L409 PolarHBondContact O-N 2.83Å
410N64.7Low74.9Confident70 Ų7076.1 Ų76.137%0.37435%0.351SS..THydrogen-bonded Turntrans-99.212.1-176.6-69.9-58.9000113.6F375 N376 G377 L406 H408F375-N410 PolarHBondContact O-ND2 2.8Å; F375-N410 PolarHBondContact O-OD1 2.84Å; F375-N410 VanDerWaalsContact O-OD1 3.05Å; N376-N410 VanDerWaalsContact C-OD1 3.28Å; N376-N410 WeakPolarHBondContact CA-OD1 3.44Å; G377-N410 PolarHBondContact N-ND2 2.84Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 2.79Å; H408-N410 PolarHBondContact O-N 3.41Å
411R57.2Low74.1Confident258 Ų25875.1 Ų75.197%0.97434%0.342SS*.  trans-104.30168.6-71.9-178178.9-173.1-0.5109.1H408H408-R411 PolarHBondContact O-N 3.2Å

Retrieved 411 of 411 residues in 317 ms (Link to these results)

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