A0A5K4EB17_SCHMA Loading...

Sugar nucleotide epimerase related

AlphaFold DB , UniProt , Accession A0A5K4EB17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 355 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
1M95Very high93.9Very high75 Ų7522.4 Ų22.437%0.36914%0.14SC..  0149.10-62-178.3-72.900109.7F3 N26 D55 L259M1-F3 HydrophobicContact CB-CD2 4.34Å; M1-F3 HydrophobicContact CB-CE2 3.82Å; M1-F3 HydrophobicContact CE-CE2 3.97Å; M1-F3 HydrophobicContact CE-CZ 3.84Å; M1-N26 PolarHBondContact O-N 3.32Å; M1-N26 VanDerWaalsContact O-N 3.11Å; M1-D55 WeakPolarHBondContact CA-OD2 3.45Å; M1-D55 HydrophobicContact CB-CB 4.29Å; M1-L259 HydrophobicContact SD-CB 4.26Å; M1-L259 HydrophobicContact SD-CD1 3.75Å; M1-L259 HydrophobicContact SD-CG 3.8Å
2K96.8Very high93.9Very high23 Ų2323.1 Ų23.110%0.114%0.141CC..EExtended strand (participates in β ladder)trans-101.1124.2169.4-172.1174.7-173.8177.20110.8N26 D53 V54 D55 V56K2-N26 CarbonylContact C-O 3.58Å; K2-N26 VanDerWaalsContact CA-O 3.31Å; K2-N26 WeakPolarHBondContact CA-O 3.45Å; K2-N26 HydrophobicContact CB-CB 4.38Å; K2-N26 HydrophobicContact CG-CB 4.26Å; K2-D53 VanDerWaalsContact CB-O 3.31Å; K2-D53 WeakPolarHBondContact CB-O 3.43Å; K2-D53 HydrophobicContact CD-CB 4.3Å; K2-D53 WeakPolarHBondContact CD-OD1 3.24Å; K2-D53 WeakPolarHBondContact CD-OD2 3.46Å; K2-D53 WeakPolarHBondContact CE-OD1 3.42Å; K2-D53 WeakPolarHBondContact CE-OD2 3.48Å; K2-D53 IonicContact NZ-OD1 2.68Å; K2-D53 PolarHBondContact NZ-OD1 2.62Å; K2-D53 IonicContact NZ-OD2 3.45Å; K2-D53 PolarHBondContact NZ-OD2 3.06Å; K2-V54 HydrophobicContact CD-CG2 4.34Å; K2-D55 PolarHBondContact N-OD2 3.46Å; K2-D55 PolarHBondContact O-N 2.9Å; K2-V56 PolarHBondContact O-N 3.4Å
3F98.1Very high94Very high3 Ų321.4 Ų21.41%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-103.8134.2176.9-71.7-99000110.7M1 I5 L20 H25 N26 V27 Q28 V56 V58M1-F3 HydrophobicContact CB-CD2 4.34Å; M1-F3 HydrophobicContact CB-CE2 3.82Å; M1-F3 HydrophobicContact CE-CE2 3.97Å; M1-F3 HydrophobicContact CE-CZ 3.84Å; F3-I5 HydrophobicContact CB-CD1 4.41Å; F3-I5 HydrophobicContact CB-CG1 4.22Å; F3-L20 HydrophobicContact CB-CD1 4.28Å; F3-L20 HydrophobicContact CD1-CD1 3.87Å; F3-L20 HydrophobicContact CD2-CD1 4.21Å; F3-L20 HydrophobicContact CD2-CD2 4.32Å; F3-L20 HydrophobicContact CE1-CD1 4.21Å; F3-L20 HydrophobicContact CE1-CD2 4.15Å; F3-L20 HydrophobicContact CE2-CD2 3.89Å; F3-L20 HydrophobicContact CG-CD1 3.87Å; F3-L20 HydrophobicContact CZ-CD2 3.8Å; F3-H25 HydrophobicContact CD2-CB 3.88Å; F3-H25 HydrophobicContact CE2-CB 3.9Å; F3-H25 AromaticContact CE2-CD2 3.81Å; F3-H25 AromaticContact CE2-CG 3.67Å; F3-N26 PolarHBondContact N-O 3.4Å; F3-V27 HydrophobicContact CB-CG2 4.36Å; F3-Q28 PolarHBondContact O-N 2.86Å; F3-V56 WeakPolarHBondContact CA-O 3.49Å; F3-V56 HydrophobicContact CD1-CB 3.76Å; F3-V56 HydrophobicContact CD1-CG1 3.78Å; F3-V56 HydrophobicContact CE1-CB 3.79Å; F3-V56 HydrophobicContact CE1-CG1 3.69Å; F3-V56 HydrophobicContact CE1-CG2 4.19Å; F3-V56 HydrophobicContact CG-CB 4.43Å; F3-V56 HydrophobicContact CZ-CB 4.47Å; F3-V56 HydrophobicContact CZ-CG2 4.46Å; F3-V58 HydrophobicContact CD1-CG2 4.17Å
4L97.8Very high94Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-110.3115.4167.9-175.467.4000109.2Q28 I30 L40 I45 L50 V54 V56 I57 V58L4-Q28 CarbonylContact C-O 3.16Å; L4-Q28 WeakPolarHBondContact CA-O 3.22Å; L4-Q28 HydrophobicContact CD1-CB 4.12Å; L4-Q28 HydrophobicContact CD1-CG 4.28Å; L4-I30 HydrophobicContact CD1-CD1 3.82Å; L4-I30 HydrophobicContact CD1-CG1 3.65Å; L4-I30 HydrophobicContact CD2-CD1 3.73Å; L4-I30 HydrophobicContact CD2-CG1 4.49Å; L4-I30 HydrophobicContact CG-CD1 3.63Å; L4-I30 HydrophobicContact CG-CG1 4.02Å; L4-L40 HydrophobicContact CD1-CD1 4.16Å; L4-I45 HydrophobicContact CD2-CD1 4.4Å; L4-L50 HydrophobicContact CD2-CD2 3.39Å; L4-V54 HydrophobicContact CB-CG1 3.77Å; L4-V54 HydrophobicContact CB-CG2 3.99Å; L4-V54 HydrophobicContact CD2-CG2 4.33Å; L4-V56 PolarHBondContact N-O 3.12Å; L4-I57 HydrophobicContact CB-CG1 4.3Å; L4-I57 HydrophobicContact CD2-CD1 4.46Å; L4-I57 HydrophobicContact CD2-CG1 4.34Å; L4-I57 WeakPolarHBondContact O-CA 3.5Å; L4-V58 PolarHBondContact O-N 3.4Å
5I97.6Very high94.1Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-114.4106.4-170.6-53.9-176.6000111F3 L16 V17 L20 V27 Q28 V29 I30 V58 L60F3-I5 HydrophobicContact CB-CD1 4.41Å; F3-I5 HydrophobicContact CB-CG1 4.22Å; I5-L16 HydrophobicContact CD1-CD2 3.91Å; I5-L16 HydrophobicContact CD1-CG 4.09Å; I5-V17 HydrophobicContact CD1-CG2 3.86Å; I5-L20 HydrophobicContact CD1-CD1 3.73Å; I5-V27 HydrophobicContact CD1-CG1 3.51Å; I5-V27 HydrophobicContact CG1-CG1 4.03Å; I5-Q28 PolarHBondContact N-O 3Å; I5-V29 WeakPolarHBondContact O-CA 3.3Å; I5-I30 PolarHBondContact O-N 3.33Å; I5-V58 CarbonylContact C-O 3.54Å; I5-V58 VanDerWaalsContact CA-O 3.28Å; I5-V58 WeakPolarHBondContact CA-O 3.41Å; I5-V58 HydrophobicContact CG1-CB 4.33Å; I5-V58 HydrophobicContact CG2-CB 4.5Å; I5-L60 HydrophobicContact CG2-CD1 4.49Å
6G96.2Very high94.3Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-71.2126.3168.100000110.6V58 L60 S61G6-V58 PolarHBondContact N-O 3.05Å; G6-L60 CarbonylContact O-C 3.58Å; G6-L60 WeakPolarHBondContact O-CA 3.34Å; G6-L60 WeakPolarHBondContact O-CB 3.47Å; G6-L60 PolarHBondContact O-N 2.85Å; G6-S61 PolarHBondContact O-N 2.69Å
7G91.7Very high94.5Very high14 Ų1427.4 Ų27.414%0.14415%0.152CC..THydrogen-bonded Turntrans77.620.2-178.900000114.5T9 G10 I30G7-T9 PolarHBondContact O-N 2.73Å; G7-G10 PolarHBondContact O-N 3.26Å; G7-I30 PolarHBondContact N-O 3.02Å
8G90.4Very high94.6Very high4 Ų430.3 Ų30.34%0.04118%0.175CC..THydrogen-bonded Turntrans-58.3-11.4176.600000115.3G13 R14G8-G13 CarbonylContact O-C 3.56Å; G8-R14 WeakPolarHBondContact O-CA 3.4Å; G8-R14 PolarHBondContact O-N 3.34Å; G8-R14 VanDerWaalsContact O-N 3.08Å
9T90.3Very high94.7Very high54 Ų5430.5 Ų30.533%0.33118%0.178SC..THydrogen-bonded Turntrans-87.9-7.8175.157.80000113.9G7 R14 V29G7-T9 PolarHBondContact O-N 2.73Å; T9-R14 PolarHBondContact O-NH1 3.26Å; T9-V29 HydrophobicContact CG2-CG1 4.34Å
10G89.2Confident94.9Very high31 Ų3129.1 Ų29.132%0.3217%0.17SC..SBendtrans-77.5-176.5178.400000114.2G7 R14G7-G10 PolarHBondContact O-N 3.26Å; G10-R14 WeakPolarHBondContact O-CB 3.45Å; G10-R14 VanDerWaalsContact O-CG 3.27Å; G10-R14 WeakPolarHBondContact O-CG 3.36Å; G10-R14 PolarHBondContact O-N 3.49Å; G10-R14 PolarHBondContact O-NH1 2.65Å
11L89.9Confident94.9Very high42 Ų4232.1 Ų32.122%0.2218%0.178CC..Hα-helixtrans-58.9-59.9-179.2178.366000111.7D215 L246L11-D215 HydrophobicContact CD1-CB 4.18Å; L11-L246 HydrophobicContact CD1-CD2 4.05Å; L11-L246 HydrophobicContact CG-CD1 4.49Å; L11-L246 HydrophobicContact CG-CD2 4.26Å
12I93.8Very high95Very high31 Ų3133.1 Ų33.116%0.15919%0.192CC..Hα-helixtrans-65.1-44.2178.8-55.4170.6000110.2R14 S15 L16 L60 V211 L246 M249 I253I12-R14 PolarHBondContact O-N 3.49Å; I12-S15 PolarHBondContact O-N 3.49Å; I12-L16 WeakPolarHBondContact O-CB 3.29Å; I12-L16 PolarHBondContact O-N 3.14Å; I12-L60 HydrophobicContact CB-CD1 4.22Å; I12-L60 HydrophobicContact CG2-CD1 3.82Å; I12-V211 HydrophobicContact CD1-CG2 4.06Å; I12-L246 HydrophobicContact CB-CD1 4.44Å; I12-L246 HydrophobicContact CG1-CD1 4.12Å; I12-M249 HydrophobicContact CD1-CE 4.31Å; I12-M249 HydrophobicContact CD1-CG 4.12Å; I12-M249 HydrophobicContact CG1-CG 4.37Å; I12-M249 HydrophobicContact CG2-CG 3.96Å; I12-I253 HydrophobicContact CG2-CD1 3.68Å
13G95Very high95Very high1 Ų136 Ų361%0.0121%0.212CC..Hα-helixtrans-56.5-45.4-178.100000113.8G8 L16 V17G8-G13 CarbonylContact O-C 3.56Å; G13-L16 PolarHBondContact O-N 3Å; G13-V17 WeakPolarHBondContact O-CB 3.27Å; G13-V17 WeakPolarHBondContact O-CG2 3.25Å; G13-V17 PolarHBondContact O-N 3.05Å
14R94.4Very high94.9Very high131 Ų13139.1 Ų39.149%0.49425%0.245SC..Hα-helixtrans-64.9-44.3-179.7-73.8-173.5-49.4-95.93.3112G8 T9 G10 I12 V17 S18G8-R14 WeakPolarHBondContact O-CA 3.4Å; G8-R14 PolarHBondContact O-N 3.34Å; G8-R14 VanDerWaalsContact O-N 3.08Å; T9-R14 PolarHBondContact O-NH1 3.26Å; G10-R14 WeakPolarHBondContact O-CB 3.45Å; G10-R14 VanDerWaalsContact O-CG 3.27Å; G10-R14 WeakPolarHBondContact O-CG 3.36Å; G10-R14 PolarHBondContact O-N 3.49Å; G10-R14 PolarHBondContact O-NH1 2.65Å; I12-R14 PolarHBondContact O-N 3.49Å; R14-V17 PolarHBondContact O-N 3.13Å; R14-S18 WeakPolarHBondContact O-CB 3.44Å; R14-S18 PolarHBondContact O-N 2.56Å
15S95.6Very high94.8Very high43 Ų4341.5 Ų41.530%0.30126%0.256SS..Hα-helixtrans-64.9-40.9178.3-61.70000111.5I12 S18 S19 L246I12-S15 PolarHBondContact O-N 3.49Å; S15-S18 PolarHBondContact O-N 3.24Å; S15-S19 WeakPolarHBondContact O-CB 3.37Å; S15-S19 PolarHBondContact O-N 3.15Å; S15-L246 WeakPolarHBondContact OG-CD2 3.43Å
16L97.7Very high94.8Very high1 Ų145.9 Ų45.91%0.00528%0.28CS..Hα-helixtrans-63.9-48.3175.2179.365.2000112.4I5 I12 G13 S18 S19 L20 V58 L60 V250 I253 E254I5-L16 HydrophobicContact CD1-CD2 3.91Å; I5-L16 HydrophobicContact CD1-CG 4.09Å; I12-L16 WeakPolarHBondContact O-CB 3.29Å; I12-L16 PolarHBondContact O-N 3.14Å; G13-L16 PolarHBondContact O-N 3Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.09Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-L20 HydrophobicContact CD1-CD1 3.75Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CD2-CD1 4.43Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 3.1Å; L16-V58 HydrophobicContact CD2-CB 4.47Å; L16-V58 HydrophobicContact CD2-CG1 4.02Å; L16-L60 HydrophobicContact CD2-CD1 3.97Å; L16-V250 HydrophobicContact CB-CG1 4.5Å; L16-V250 HydrophobicContact CB-CG2 4.46Å; L16-V250 HydrophobicContact CD1-CG1 4.08Å; L16-I253 HydrophobicContact CD1-CB 4.06Å; L16-I253 HydrophobicContact CD1-CG2 3.8Å; L16-I253 HydrophobicContact CD2-CB 4.44Å; L16-I253 HydrophobicContact CD2-CD1 4.05Å; L16-I253 HydrophobicContact CD2-CG2 3.69Å; L16-I253 HydrophobicContact CG-CG2 4.42Å; L16-E254 HydrophobicContact CD1-CG 4.04Å
17V96.9Very high94.8Very high13 Ų1346.4 Ų46.48%0.07928%0.283CS..Hα-helixtrans-57.8-45177.4169.80000110.6I5 G13 R14 R21 V27 V29I5-V17 HydrophobicContact CD1-CG2 3.86Å; G13-V17 WeakPolarHBondContact O-CB 3.27Å; G13-V17 WeakPolarHBondContact O-CG2 3.25Å; G13-V17 PolarHBondContact O-N 3.05Å; R14-V17 PolarHBondContact O-N 3.13Å; V17-R21 HydrophobicContact CG1-CG 4.49Å; V17-R21 WeakPolarHBondContact O-CB 3.3Å; V17-R21 VanDerWaalsContact O-CG 3.25Å; V17-R21 WeakPolarHBondContact O-CG 3.39Å; V17-R21 PolarHBondContact O-N 2.82Å; V17-V27 HydrophobicContact CB-CG1 4.36Å; V17-V27 HydrophobicContact CG1-CG1 4.11Å; V17-V27 HydrophobicContact CG2-CG1 3.94Å; V17-V29 HydrophobicContact CG1-CG2 4.44Å; V17-V29 HydrophobicContact CG2-CG2 3.62Å
18S96.2Very high95Very high80 Ų8047 Ų4756%0.55928%0.282SS*.Hα-helixtrans-61.7-46.4177.5-1710000111.8R14 S15 L16 S22R14-S18 WeakPolarHBondContact O-CB 3.44Å; R14-S18 PolarHBondContact O-N 2.56Å; S15-S18 PolarHBondContact O-N 3.24Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.09Å; S18-S22 WeakPolarHBondContact O-CB 3.43Å; S18-S22 PolarHBondContact O-N 2.91Å
19S97.3Very high95.4Very high33 Ų3347.1 Ų47.123%0.23128%0.282CS..Hα-helixtrans-64.3-51.1-178.6-169.10000111.7S15 L16 R21 S22 T23 E254S15-S19 WeakPolarHBondContact O-CB 3.37Å; S15-S19 PolarHBondContact O-N 3.15Å; L16-S19 PolarHBondContact O-N 2.92Å; S19-R21 PolarHBondContact O-N 2.8Å; S19-S22 WeakPolarHBondContact O-CB 3.3Å; S19-S22 PolarHBondContact O-N 2.79Å; S19-S22 PolarHBondContact O-OG 3.37Å; S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 3.39Å; S19-E254 WeakPolarHBondContact CB-OE1 3.27Å; S19-E254 PolarHBondContact OG-OE1 2.93Å
20L97.6Very high95.6Very high3 Ų344.5 Ų44.52%0.01627%0.266CS..Hα-helixtrans-61.3-39.9178.5-70.6172.1000113.3F3 I5 L16 S22 T23 G24 H25 V27 E254F3-L20 HydrophobicContact CB-CD1 4.28Å; F3-L20 HydrophobicContact CD1-CD1 3.87Å; F3-L20 HydrophobicContact CD2-CD1 4.21Å; F3-L20 HydrophobicContact CD2-CD2 4.32Å; F3-L20 HydrophobicContact CE1-CD1 4.21Å; F3-L20 HydrophobicContact CE1-CD2 4.15Å; F3-L20 HydrophobicContact CE2-CD2 3.89Å; F3-L20 HydrophobicContact CG-CD1 3.87Å; F3-L20 HydrophobicContact CZ-CD2 3.8Å; I5-L20 HydrophobicContact CD1-CD1 3.73Å; L16-L20 HydrophobicContact CD1-CD1 3.75Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CD2-CD1 4.43Å; L16-L20 HydrophobicContact CG-CD1 3.75Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 3.1Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-T23 WeakPolarHBondContact CA-OG1 3.27Å; L20-T23 PolarHBondContact O-N 3.38Å; L20-T23 PolarHBondContact O-OG1 2.85Å; L20-G24 PolarHBondContact O-N 2.9Å; L20-H25 HydrophobicContact CB-CB 4.29Å; L20-H25 VanDerWaalsContact O-CB 3.31Å; L20-H25 WeakPolarHBondContact O-CB 3.3Å; L20-H25 PolarHBondContact O-N 3.24Å; L20-V27 HydrophobicContact CB-CG2 3.61Å; L20-V27 HydrophobicContact CD1-CG2 4.24Å; L20-E254 HydrophobicContact CD2-CG 3.92Å
21R96.6Very high95.8Very high93 Ų9343.2 Ų43.235%0.35125%0.252SS..Hα-helixtrans-65.5-37.8175.1-74.4175.2175.6175.8-3.9111.1V17 S19 T23 G24 V27 E36V17-R21 HydrophobicContact CG1-CG 4.49Å; V17-R21 WeakPolarHBondContact O-CB 3.3Å; V17-R21 VanDerWaalsContact O-CG 3.25Å; V17-R21 WeakPolarHBondContact O-CG 3.39Å; V17-R21 PolarHBondContact O-N 2.82Å; S19-R21 PolarHBondContact O-N 2.8Å; R21-T23 PolarHBondContact O-N 2.83Å; R21-G24 PolarHBondContact O-N 3.29Å; R21-G24 VanDerWaalsContact O-N 3.14Å; R21-V27 HydrophobicContact CG-CB 4.04Å; R21-V27 HydrophobicContact CG-CG2 3.88Å; R21-V27 PolarHBondContact NH2-O 3.49Å; R21-E36 IonicContact CZ-OE1 2.73Å; R21-E36 IonicContact CZ-OE2 3.53Å; R21-E36 IonicContact NH1-OE1 3.98Å; R21-E36 PolarHBondContact NH1-OE1 2.86Å; R21-E36 IonicContact NH1-OE2 3.73Å; R21-E36 PolarHBondContact NH1-OE2 3.09Å; R21-E36 IonicContact NH2-OE2 3.01Å; R21-E36 PolarHBondContact NH2-OE2 3.07Å
22S97Very high95.7Very high95 Ų9548.9 Ų48.966%0.66427%0.27SS*.Hα-helixtrans-66.1-24.7178.678.50000113.5S18 S19 L20S18-S22 WeakPolarHBondContact O-CB 3.43Å; S18-S22 PolarHBondContact O-N 2.91Å; S19-S22 WeakPolarHBondContact O-CB 3.3Å; S19-S22 PolarHBondContact O-N 2.79Å; S19-S22 PolarHBondContact O-OG 3.37Å; L20-S22 VanDerWaalsContact C-N 3.32Å
23T95.2Very high95.5Very high83 Ų8355.7 Ų55.751%0.50930%0.299SS..THydrogen-bonded Turntrans-94.310.1175.953.30000113.4S19 L20 R21 H25S19-T23 PolarHBondContact O-N 3.41Å; S19-T23 PolarHBondContact O-OG1 3.39Å; L20-T23 WeakPolarHBondContact CA-OG1 3.27Å; L20-T23 PolarHBondContact O-N 3.38Å; L20-T23 PolarHBondContact O-OG1 2.85Å; R21-T23 PolarHBondContact O-N 2.83Å; T23-H25 PolarHBondContact OG1-CD2 2.91Å; T23-H25 VanDerWaalsContact OG1-CD2 3.27Å
24G95.9Very high95.2Very high69 Ų6958.4 Ų58.471%0.71132%0.316SS*.THydrogen-bonded Turntrans84.811.3173.100000115.1L20 R21L20-G24 PolarHBondContact O-N 2.9Å; R21-G24 PolarHBondContact O-N 3.29Å; R21-G24 VanDerWaalsContact O-N 3.14Å
25H96.8Very high94.9Very high50 Ų5060.6 Ų60.623%0.23133%0.329CS..  trans-77.6148.1173.6-59.1-48000112.1F3 L20 T23 V27F3-H25 HydrophobicContact CD2-CB 3.88Å; F3-H25 HydrophobicContact CE2-CB 3.9Å; F3-H25 AromaticContact CE2-CD2 3.81Å; F3-H25 AromaticContact CE2-CG 3.67Å; L20-H25 HydrophobicContact CB-CB 4.29Å; L20-H25 VanDerWaalsContact O-CB 3.31Å; L20-H25 WeakPolarHBondContact O-CB 3.3Å; L20-H25 PolarHBondContact O-N 3.24Å; T23-H25 PolarHBondContact OG1-CD2 2.91Å; T23-H25 VanDerWaalsContact OG1-CD2 3.27Å; H25-V27 HydrophobicContact CB-CG2 4.47Å
26N96.4Very high94.6Very high93 Ų9363.2 Ų63.250%0.49734%0.337SS..EExtended strand (participates in β ladder)trans-83.7123171.4-174.7-22.2000108.4M1 K2 F3M1-N26 PolarHBondContact O-N 3.32Å; M1-N26 VanDerWaalsContact O-N 3.11Å; K2-N26 CarbonylContact C-O 3.58Å; K2-N26 VanDerWaalsContact CA-O 3.31Å; K2-N26 WeakPolarHBondContact CA-O 3.45Å; K2-N26 HydrophobicContact CB-CB 4.38Å; K2-N26 HydrophobicContact CG-CB 4.26Å; F3-N26 PolarHBondContact N-O 3.4Å
27V97Very high94Very high10 Ų1073 Ų736%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-126.2121.5-174.9-174.60000110.6F3 I5 V17 L20 R21 H25F3-V27 HydrophobicContact CB-CG2 4.36Å; I5-V27 HydrophobicContact CD1-CG1 3.51Å; I5-V27 HydrophobicContact CG1-CG1 4.03Å; V17-V27 HydrophobicContact CB-CG1 4.36Å; V17-V27 HydrophobicContact CG1-CG1 4.11Å; V17-V27 HydrophobicContact CG2-CG1 3.94Å; L20-V27 HydrophobicContact CB-CG2 3.61Å; L20-V27 HydrophobicContact CD1-CG2 4.24Å; R21-V27 HydrophobicContact CG-CB 4.04Å; R21-V27 HydrophobicContact CG-CG2 3.88Å; R21-V27 PolarHBondContact NH2-O 3.49Å; H25-V27 HydrophobicContact CB-CG2 4.47Å
28Q96.3Very high93.6Very high27 Ų2777.9 Ų77.913%0.12641%0.405CS..EExtended strand (participates in β ladder)trans-113.7131.2174.2-165.7166.510.200109.8F3 L4 I5 N38 L40F3-Q28 PolarHBondContact O-N 2.86Å; L4-Q28 CarbonylContact C-O 3.16Å; L4-Q28 WeakPolarHBondContact CA-O 3.22Å; L4-Q28 HydrophobicContact CD1-CB 4.12Å; L4-Q28 HydrophobicContact CD1-CG 4.28Å; I5-Q28 PolarHBondContact N-O 3Å; Q28-N38 VanDerWaalsContact CG-O 3.23Å; Q28-N38 WeakPolarHBondContact CG-O 3.35Å; Q28-N38 PolarHBondContact NE2-O 3.38Å; Q28-L40 HydrophobicContact CG-CD1 4.25Å; Q28-L40 HydrophobicContact CG-CG 4.21Å; Q28-L40 VanDerWaalsContact NE2-CG 3.29Å
29V97.2Very high93.5Very high6 Ų674.9 Ų74.94%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-102.7136.7-176.5174.40000110.5I5 T9 V17 D39 L40I5-V29 WeakPolarHBondContact O-CA 3.3Å; T9-V29 HydrophobicContact CG2-CG1 4.34Å; V17-V29 HydrophobicContact CG1-CG2 4.44Å; V17-V29 HydrophobicContact CG2-CG2 3.62Å; V29-D39 CarbonylContact O-C 3.49Å; V29-D39 WeakPolarHBondContact O-CA 3.31Å; V29-L40 PolarHBondContact O-N 3.18Å
30I95.9Very high93.4Very high0 Ų074.7 Ų74.70%038%0.379CS..EExtended strand (participates in β ladder)trans-100.8126.3165.4-49.5160.9000108.6L4 I5 G7 L40 W42 I45 L96L4-I30 HydrophobicContact CD1-CD1 3.82Å; L4-I30 HydrophobicContact CD1-CG1 3.65Å; L4-I30 HydrophobicContact CD2-CD1 3.73Å; L4-I30 HydrophobicContact CD2-CG1 4.49Å; L4-I30 HydrophobicContact CG-CD1 3.63Å; L4-I30 HydrophobicContact CG-CG1 4.02Å; I5-I30 PolarHBondContact O-N 3.33Å; G7-I30 PolarHBondContact N-O 3.02Å; I30-L40 VanDerWaalsContact CA-O 3.3Å; I30-L40 WeakPolarHBondContact CA-O 3.31Å; I30-L40 HydrophobicContact CG1-CB 4.24Å; I30-W42 HydrophobicContact CB-CZ2 4.48Å; I30-W42 HydrophobicContact CD1-CZ3 4.47Å; I30-W42 HydrophobicContact CG2-CD2 3.6Å; I30-W42 HydrophobicContact CG2-CE3 3.84Å; I30-W42 HydrophobicContact CG2-CG 4.02Å; I30-W42 HydrophobicContact CG2-CH2 4.3Å; I30-W42 HydrophobicContact CG2-CZ2 4.07Å; I30-W42 HydrophobicContact CG2-CZ3 4.19Å; I30-I45 HydrophobicContact CD1-CD1 3.87Å; I30-I45 HydrophobicContact CD1-CG1 3.79Å; I30-I45 HydrophobicContact CG1-CD1 4.12Å; I30-I45 HydrophobicContact CG1-CG1 3.95Å; I30-I45 HydrophobicContact CG2-CG1 4.07Å; I30-L96 HydrophobicContact CD1-CD2 3.98Å
31S93Very high93.3Very high3 Ų376.1 Ų76.12%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-146.7163.2175.676.70000112.7K33 P34 L40 S41S31-K33 PolarHBondContact O-N 2.73Å; S31-K33 PolarHBondContact OG-O 3.2Å; S31-P34 WeakPolarHBondContact OG-CA 3.44Å; S31-L40 PolarHBondContact N-O 3.25Å; S31-S41 WeakPolarHBondContact O-CA 3.42Å
32R88.8Confident93.2Very high161 Ų16173.3 Ų73.361%0.60838%0.378SS*.SBendtrans-63.1-30.5175.9-67.9178-71.4-177.8-2.1112.6E84R32-E84 IonicContact NH1-OE1 3.08Å; R32-E84 PolarHBondContact NH1-OE1 3.41Å; R32-E84 VanDerWaalsContact NH1-OE1 3.08Å
33K88.6Confident93Very high175 Ų17574.7 Ų74.776%0.76138%0.378SS*.SBendtrans-135.984.3179.8-65.1-172178.5-175.20108.1S31S31-K33 PolarHBondContact O-N 2.73Å; S31-K33 PolarHBondContact OG-O 3.2Å
34P89.7Confident92.9Very high58 Ų5872.3 Ų72.338%0.37737%0.365SS..  trans-48.2136.9176.2-29.538.1000111.2S31 D39S31-P34 WeakPolarHBondContact OG-CA 3.44Å; P34-D39 HydrophobicContact CB-CB 3.63Å
35K87.2Confident92.9Very high177 Ų17769.1 Ų69.177%0.7733%0.331SS*.  trans-114-37.8-178-70.1-170.9176.7-172.90112.5D39K35-D39 PolarHBondContact N-OD2 3.21Å
36E88.3Confident92.7Very high97 Ų9774.1 Ų74.145%0.45335%0.353SS..SBendtrans-94.7157.7178.3-59.9-177.5-178.100111.3R21 N38 D39R21-E36 IonicContact CZ-OE1 2.73Å; R21-E36 IonicContact CZ-OE2 3.53Å; R21-E36 IonicContact NH1-OE1 3.98Å; R21-E36 PolarHBondContact NH1-OE1 2.86Å; R21-E36 IonicContact NH1-OE2 3.73Å; R21-E36 PolarHBondContact NH1-OE2 3.09Å; R21-E36 IonicContact NH2-OE2 3.01Å; R21-E36 PolarHBondContact NH2-OE2 3.07Å; E36-N38 PolarHBondContact O-N 3.34Å; E36-N38 VanDerWaalsContact O-N 3.1Å; E36-D39 PolarHBondContact N-OD2 2.81Å; E36-D39 WeakPolarHBondContact O-CB 3.44Å; E36-D39 PolarHBondContact O-N 2.93Å
37K86.7Confident92.6Very high207 Ų20778.2 Ų78.290%0.937%0.366SS*.THydrogen-bonded Turntrans-54.3-32.9-177.5-177.3178.4177.1-178.10113.8
38N88.5Confident92.5Very high115 Ų11583 Ų8362%0.61539%0.391SS*.THydrogen-bonded Turntrans-100.1-1.1-176.8-64.2-22.6000113.2Q28 E36Q28-N38 VanDerWaalsContact CG-O 3.23Å; Q28-N38 WeakPolarHBondContact CG-O 3.35Å; Q28-N38 PolarHBondContact NE2-O 3.38Å; E36-N38 PolarHBondContact O-N 3.34Å; E36-N38 VanDerWaalsContact O-N 3.1Å
39D93.9Very high92.4Very high18 Ų1882.6 Ų82.610%0.09639%0.394CS..  trans-66.8144.3176.3-72.7-8.7000110.4V29 P34 K35 E36V29-D39 CarbonylContact O-C 3.49Å; V29-D39 WeakPolarHBondContact O-CA 3.31Å; P34-D39 HydrophobicContact CB-CB 3.63Å; K35-D39 PolarHBondContact N-OD2 3.21Å; E36-D39 PolarHBondContact N-OD2 2.81Å; E36-D39 WeakPolarHBondContact O-CB 3.44Å; E36-D39 PolarHBondContact O-N 2.93Å
40L95.5Very high92.3Very high28 Ų2883.5 Ų83.515%0.14740%0.399CS..EExtended strand (participates in β ladder)trans-104.2146.5178.7-62177.7000110.6L4 Q28 V29 I30 S31 I45 P51L4-L40 HydrophobicContact CD1-CD1 4.16Å; Q28-L40 HydrophobicContact CG-CD1 4.25Å; Q28-L40 HydrophobicContact CG-CG 4.21Å; Q28-L40 VanDerWaalsContact NE2-CG 3.29Å; V29-L40 PolarHBondContact O-N 3.18Å; I30-L40 VanDerWaalsContact CA-O 3.3Å; I30-L40 WeakPolarHBondContact CA-O 3.31Å; I30-L40 HydrophobicContact CG1-CB 4.24Å; S31-L40 PolarHBondContact N-O 3.25Å; L40-I45 HydrophobicContact CB-CD1 4.4Å; L40-I45 HydrophobicContact CB-CG1 4.3Å; L40-I45 HydrophobicContact CD1-CD1 3.55Å; L40-I45 HydrophobicContact CD1-CG1 4.34Å; L40-P51 HydrophobicContact CD1-CG 4.04Å
41S94.8Very high92.2Very high33 Ų3384.9 Ų84.923%0.23141%0.408CS..EExtended strand (participates in β ladder)trans-87.5157.716466.90000110.7S31 D43 S44 I45S31-S41 WeakPolarHBondContact O-CA 3.42Å; S41-D43 PolarHBondContact O-N 3.09Å; S41-S44 WeakPolarHBondContact O-CB 3.46Å; S41-S44 PolarHBondContact O-N 3.34Å; S41-S44 VanDerWaalsContact O-N 3.12Å; S41-S44 WeakPolarHBondContact OG-CB 3.25Å; S41-S44 PolarHBondContact OG-N 3.18Å; S41-I45 PolarHBondContact O-N 2.7Å; S41-I45 VanDerWaalsContact O-N 3.08Å
42W93.6Very high92.2Very high35 Ų3589.6 Ų89.613%0.13344%0.441CS..Hα-helixtrans-58.7-34.8170.6-69.3108000112.2I30 I45 K46 T92 L95 L96I30-W42 HydrophobicContact CB-CZ2 4.48Å; I30-W42 HydrophobicContact CD1-CZ3 4.47Å; I30-W42 HydrophobicContact CG2-CD2 3.6Å; I30-W42 HydrophobicContact CG2-CE3 3.84Å; I30-W42 HydrophobicContact CG2-CG 4.02Å; I30-W42 HydrophobicContact CG2-CH2 4.3Å; I30-W42 HydrophobicContact CG2-CZ2 4.07Å; I30-W42 HydrophobicContact CG2-CZ3 4.19Å; W42-I45 PolarHBondContact O-N 3.45Å; W42-K46 WeakPolarHBondContact O-CB 3.46Å; W42-K46 PolarHBondContact O-N 2.85Å; W42-T92 HydrophobicContact CD2-CG2 3.94Å; W42-T92 HydrophobicContact CE3-CG2 4.08Å; W42-T92 HydrophobicContact CH2-CG2 3.93Å; W42-T92 HydrophobicContact CZ2-CG2 3.79Å; W42-T92 HydrophobicContact CZ3-CG2 4.06Å; W42-L95 HydrophobicContact CE3-CD2 4.08Å; W42-L96 HydrophobicContact CH2-CD1 3.89Å; W42-L96 HydrophobicContact CH2-CG 4.35Å; W42-L96 HydrophobicContact CZ3-CD1 3.97Å; W42-L96 HydrophobicContact CZ3-CD2 4.12Å; W42-L96 HydrophobicContact CZ3-CG 3.91Å
43D93.4Very high92.5Very high124 Ų12485.9 Ų85.966%0.66343%0.433SS*.Hα-helixtrans-66.1-38.1174.6-62.8-37.4000112.3S41 K46 K47S41-D43 PolarHBondContact O-N 3.09Å; D43-K46 PolarHBondContact O-N 3.38Å; D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 PolarHBondContact O-N 3.42Å
44S94.1Very high92.8Very high33 Ų3377.7 Ų77.723%0.23140%0.398CS..Hα-helixtrans-63.3-44.5175-173.70000111.1S41 K47 N48S41-S44 WeakPolarHBondContact O-CB 3.46Å; S41-S44 PolarHBondContact O-N 3.34Å; S41-S44 VanDerWaalsContact O-N 3.12Å; S41-S44 WeakPolarHBondContact OG-CB 3.25Å; S41-S44 PolarHBondContact OG-N 3.18Å; S44-K47 PolarHBondContact O-N 3.33Å; S44-N48 WeakPolarHBondContact O-CB 3.4Å; S44-N48 PolarHBondContact O-N 2.89Å; S44-N48 PolarHBondContact O-ND2 3.19Å; S44-N48 PolarHBondContact OG-ND2 3.24Å
45I94.6Very high93.2Very high1 Ų176.7 Ų76.71%0.00539%0.389CS..Hα-helixtrans-62.3-44175.3-68-68.9000111.2L4 I30 L40 S41 W42 K47 G49 L95 L96 L99L4-I45 HydrophobicContact CD2-CD1 4.4Å; I30-I45 HydrophobicContact CD1-CD1 3.87Å; I30-I45 HydrophobicContact CD1-CG1 3.79Å; I30-I45 HydrophobicContact CG1-CD1 4.12Å; I30-I45 HydrophobicContact CG1-CG1 3.95Å; I30-I45 HydrophobicContact CG2-CG1 4.07Å; L40-I45 HydrophobicContact CB-CD1 4.4Å; L40-I45 HydrophobicContact CB-CG1 4.3Å; L40-I45 HydrophobicContact CD1-CD1 3.55Å; L40-I45 HydrophobicContact CD1-CG1 4.34Å; S41-I45 PolarHBondContact O-N 2.7Å; S41-I45 VanDerWaalsContact O-N 3.08Å; W42-I45 PolarHBondContact O-N 3.45Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 2.77Å; I45-G49 VanDerWaalsContact O-CA 3.24Å; I45-G49 WeakPolarHBondContact O-CA 3.38Å; I45-G49 PolarHBondContact O-N 3.49Å; I45-L95 HydrophobicContact CG2-CD2 4.13Å; I45-L95 HydrophobicContact CG2-CG 4.34Å; I45-L96 HydrophobicContact CG2-CD2 4.37Å; I45-L99 HydrophobicContact CG2-CD1 3.41Å; I45-L99 VanDerWaalsContact CG2-CD1 3.41Å
46K93.9Very high93.7Very high155 Ų15568.2 Ų68.267%0.67435%0.353SS*.Hα-helixtrans-63-37.1178.3-173.1177.2180178.60112.5W42 D43 L95W42-K46 WeakPolarHBondContact O-CB 3.46Å; W42-K46 PolarHBondContact O-N 2.85Å; D43-K46 PolarHBondContact O-N 3.38Å; K46-L95 HydrophobicContact CB-CD1 4.39Å; K46-L95 HydrophobicContact CB-CD2 4.26Å; K46-L95 HydrophobicContact CG-CD1 4.43Å
47K94.6Very high94.2Very high179 Ų17963.6 Ų63.678%0.77833%0.331SS*.Hα-helixtrans-81.1-43.3-178.3-175.4179.7176.3-179.60113.1D43 S44 I45D43-K47 WeakPolarHBondContact O-CB 3.46Å; D43-K47 PolarHBondContact O-N 3.42Å; S44-K47 PolarHBondContact O-N 3.33Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 2.77Å
48N94.4Very high94.7Very high110 Ų11053.8 Ų53.859%0.58829%0.288SS*.Hα-helixtrans-106.9-11-167.6-55.1-46.4000113.3S44S44-N48 WeakPolarHBondContact O-CB 3.4Å; S44-N48 PolarHBondContact O-N 2.89Å; S44-N48 PolarHBondContact O-ND2 3.19Å; S44-N48 PolarHBondContact OG-ND2 3.24Å
49G94.6Very high95.1Very high19 Ų1948.3 Ų48.320%0.19626%0.259CS..  trans80.6-167.6-173.300000113.6I45I45-G49 VanDerWaalsContact O-CA 3.24Å; I45-G49 WeakPolarHBondContact O-CA 3.38Å; I45-G49 PolarHBondContact O-N 3.49Å
50L95Very high95.2Very high25 Ų2548.7 Ų48.713%0.13126%0.261CS..SBendtrans-78.1146.2175.4-64.9167.6000110.3L4 S52 I57 L96 L99 A103L4-L50 HydrophobicContact CD2-CD2 3.39Å; L50-S52 PolarHBondContact O-N 3.48Å; L50-I57 HydrophobicContact CD1-CD1 3.69Å; L50-I57 HydrophobicContact CD2-CD1 3.79Å; L50-I57 HydrophobicContact CG-CD1 4.4Å; L50-L96 HydrophobicContact CD2-CD2 3.98Å; L50-L99 HydrophobicContact CD1-CB 3.63Å; L50-L99 HydrophobicContact CD2-CB 4.47Å; L50-L99 HydrophobicContact CD2-CD1 4.4Å; L50-L99 HydrophobicContact CG-CB 3.67Å; L50-L99 HydrophobicContact CG-CD1 4.14Å; L50-A103 HydrophobicContact CD1-CB 3.71Å
51P93.7Very high94.9Very high29 Ų2947.8 Ų47.819%0.18826%0.257CS..  trans-58.1138168.1-14.125000110.6L40 D53 V54L40-P51 HydrophobicContact CD1-CG 4.04Å; P51-D53 PolarHBondContact O-N 3.32Å; P51-V54 HydrophobicContact CB-CG2 3.85Å; P51-V54 HydrophobicContact CG-CG2 3.92Å; P51-V54 WeakPolarHBondContact O-CG2 3.45Å; P51-V54 PolarHBondContact O-N 3.17Å
52S92.4Very high94.3Very high103 Ų10347.7 Ų47.772%0.7226%0.261SS*.THydrogen-bonded Turntrans-68.3-16.4-170.352.30000114.9L50 P104L50-S52 PolarHBondContact O-N 3.48Å; S52-P104 WeakPolarHBondContact O-CG 3.29Å
53D94.3Very high93.6Very high83 Ų8349 Ų4944%0.44427%0.266SS..THydrogen-bonded Turntrans-105.613.2-174.962.9-26.1000113K2 P51K2-D53 VanDerWaalsContact CB-O 3.31Å; K2-D53 WeakPolarHBondContact CB-O 3.43Å; K2-D53 HydrophobicContact CD-CB 4.3Å; K2-D53 WeakPolarHBondContact CD-OD1 3.24Å; K2-D53 WeakPolarHBondContact CD-OD2 3.46Å; K2-D53 WeakPolarHBondContact CE-OD1 3.42Å; K2-D53 WeakPolarHBondContact CE-OD2 3.48Å; K2-D53 IonicContact NZ-OD1 2.68Å; K2-D53 PolarHBondContact NZ-OD1 2.62Å; K2-D53 IonicContact NZ-OD2 3.45Å; K2-D53 PolarHBondContact NZ-OD2 3.06Å; P51-D53 PolarHBondContact O-N 3.32Å
54V96.3Very high92.6Very high3 Ų347.1 Ų47.12%0.01826%0.256CS..  trans-76.2123.2177.9174.30000110.7K2 L4 P51 I57 I105K2-V54 HydrophobicContact CD-CG2 4.34Å; L4-V54 HydrophobicContact CB-CG1 3.77Å; L4-V54 HydrophobicContact CB-CG2 3.99Å; L4-V54 HydrophobicContact CD2-CG2 4.33Å; P51-V54 HydrophobicContact CB-CG2 3.85Å; P51-V54 HydrophobicContact CG-CG2 3.92Å; P51-V54 WeakPolarHBondContact O-CG2 3.45Å; P51-V54 PolarHBondContact O-N 3.17Å; V54-I57 HydrophobicContact CG1-CG1 3.81Å; V54-I105 HydrophobicContact CG1-CG2 4.18Å
55D97.1Very high91.3Very high36 Ų3647.6 Ų47.619%0.19326%0.255CS..  trans-86.3-43.3173.3-65.1-70.2000111.5M1 K2 K106 A107 L259M1-D55 WeakPolarHBondContact CA-OD2 3.45Å; M1-D55 HydrophobicContact CB-CB 4.29Å; K2-D55 PolarHBondContact N-OD2 3.46Å; K2-D55 PolarHBondContact O-N 2.9Å; D55-K106 PolarHBondContact O-N 3.09Å; D55-K106 IonicContact OD1-NZ 3.32Å; D55-A107 PolarHBondContact O-N 3.42Å; D55-L259 HydrophobicContact CB-CD1 4.3Å
56V98.1Very high89.7Confident0 Ų049 Ų490%027%0.271CS..EExtended strand (participates in β ladder)trans-134.7131-169.5-178.70000110.8K2 F3 L4 V58 A107 I109 L259K2-V56 PolarHBondContact O-N 3.4Å; F3-V56 WeakPolarHBondContact CA-O 3.49Å; F3-V56 HydrophobicContact CD1-CB 3.76Å; F3-V56 HydrophobicContact CD1-CG1 3.78Å; F3-V56 HydrophobicContact CE1-CB 3.79Å; F3-V56 HydrophobicContact CE1-CG1 3.69Å; F3-V56 HydrophobicContact CE1-CG2 4.19Å; F3-V56 HydrophobicContact CG-CB 4.43Å; F3-V56 HydrophobicContact CZ-CB 4.47Å; F3-V56 HydrophobicContact CZ-CG2 4.46Å; L4-V56 PolarHBondContact N-O 3.12Å; V56-V58 HydrophobicContact CG1-CG2 4.19Å; V56-A107 WeakPolarHBondContact CA-O 3.37Å; V56-A107 HydrophobicContact CG1-CB 4.13Å; V56-A107 HydrophobicContact CG2-CB 4.19Å; V56-I109 HydrophobicContact CG1-CD1 3.27Å; V56-L259 HydrophobicContact CG2-CD1 4.13Å; V56-L259 HydrophobicContact CG2-CD2 4.17Å; V56-L259 HydrophobicContact CG2-CG 4.18Å
57I98Very high88.4Confident0 Ų044.1 Ų44.10%025%0.25CS..EExtended strand (participates in β ladder)trans-106.5128.9171.4-59.7178.8000109.1L4 L50 V54 L96 I105 A107 F108 I109L4-I57 HydrophobicContact CB-CG1 4.3Å; L4-I57 HydrophobicContact CD2-CD1 4.46Å; L4-I57 HydrophobicContact CD2-CG1 4.34Å; L4-I57 WeakPolarHBondContact O-CA 3.5Å; L50-I57 HydrophobicContact CD1-CD1 3.69Å; L50-I57 HydrophobicContact CD2-CD1 3.79Å; L50-I57 HydrophobicContact CG-CD1 4.4Å; V54-I57 HydrophobicContact CG1-CG1 3.81Å; I57-L96 HydrophobicContact CG2-CD1 4.12Å; I57-I105 HydrophobicContact CD1-CD1 4.18Å; I57-I105 HydrophobicContact CD1-CG2 3.99Å; I57-I105 HydrophobicContact CG1-CG2 4.19Å; I57-A107 PolarHBondContact N-O 2.8Å; I57-F108 HydrophobicContact CB-CD2 3.86Å; I57-F108 HydrophobicContact CB-CE2 4.28Å; I57-F108 HydrophobicContact CD1-CD2 4.43Å; I57-F108 HydrophobicContact CG2-CD2 3.91Å; I57-F108 HydrophobicContact CG2-CE2 3.79Å; I57-I109 PolarHBondContact O-N 2.89Å
58V98Very high86.9Confident0 Ų039.3 Ų39.30%024%0.235CC..EExtended strand (participates in β ladder)trans-117.9110.1171.4-1690000109F3 L4 I5 G6 L16 V56 L60 I109 I253F3-V58 HydrophobicContact CD1-CG2 4.17Å; L4-V58 PolarHBondContact O-N 3.4Å; I5-V58 CarbonylContact C-O 3.54Å; I5-V58 VanDerWaalsContact CA-O 3.28Å; I5-V58 WeakPolarHBondContact CA-O 3.41Å; I5-V58 HydrophobicContact CG1-CB 4.33Å; I5-V58 HydrophobicContact CG2-CB 4.5Å; G6-V58 PolarHBondContact N-O 3.05Å; L16-V58 HydrophobicContact CD2-CB 4.47Å; L16-V58 HydrophobicContact CD2-CG1 4.02Å; V56-V58 HydrophobicContact CG1-CG2 4.19Å; V58-L60 HydrophobicContact CG1-CD1 4.29Å; V58-L60 HydrophobicContact CG1-CD2 3.98Å; V58-L60 HydrophobicContact CG1-CG 3.88Å; V58-I109 CarbonylContact C-O 3.58Å; V58-I109 VanDerWaalsContact CA-O 3.29Å; V58-I109 WeakPolarHBondContact CA-O 3.36Å; V58-I109 HydrophobicContact CG1-CB 4.34Å; V58-I109 HydrophobicContact CG1-CG2 4.36Å; V58-I109 HydrophobicContact CG2-CB 4.4Å; V58-I109 HydrophobicContact CG2-CD1 4.22Å; V58-I253 HydrophobicContact CG1-CG2 4Å; V58-I253 HydrophobicContact CG2-CG2 4.31Å
59N97.1Very high85.5Confident0 Ų036.5 Ų36.50%022%0.22CC..EExtended strand (participates in β ladder)trans-97.4102177.3-172.927000111.1S61 T93 L96 I109 N110 A111N59-S61 WeakPolarHBondContact OD1-CB 3.46Å; N59-S61 PolarHBondContact OD1-N 3.27Å; N59-S61 PolarHBondContact OD1-OG 3.06Å; N59-T93 PolarHBondContact ND2-OG1 3.14Å; N59-L96 HydrophobicContact CB-CD1 3.88Å; N59-I109 PolarHBondContact N-O 3.28Å; N59-N110 PolarHBondContact ND2-OD1 3.46Å; N59-A111 WeakPolarHBondContact O-CB 3.39Å; N59-A111 PolarHBondContact O-N 2.84Å
60L94.7Very high84.4Confident27 Ų2740.3 Ų40.314%0.14124%0.236CC..  trans-107.815.5173.3-54177000111.6I5 G6 I12 L16 V58 A111 L206 I253I5-L60 HydrophobicContact CG2-CD1 4.49Å; G6-L60 CarbonylContact O-C 3.58Å; G6-L60 WeakPolarHBondContact O-CA 3.34Å; G6-L60 WeakPolarHBondContact O-CB 3.47Å; G6-L60 PolarHBondContact O-N 2.85Å; I12-L60 HydrophobicContact CB-CD1 4.22Å; I12-L60 HydrophobicContact CG2-CD1 3.82Å; L16-L60 HydrophobicContact CD2-CD1 3.97Å; V58-L60 HydrophobicContact CG1-CD1 4.29Å; V58-L60 HydrophobicContact CG1-CD2 3.98Å; V58-L60 HydrophobicContact CG1-CG 3.88Å; L60-A111 HydrophobicContact CD2-CB 4.1Å; L60-L206 HydrophobicContact CD2-CD1 4.4Å; L60-I253 HydrophobicContact CD1-CD1 4.28Å; L60-I253 HydrophobicContact CD2-CD1 4.22Å
61S90.5Very high83.5Confident9 Ų943.3 Ų43.36%0.06325%0.252CS..  trans-74.6145.2-176.472.40000112G6 N59 T92G6-S61 PolarHBondContact O-N 2.69Å; N59-S61 WeakPolarHBondContact OD1-CB 3.46Å; N59-S61 PolarHBondContact OD1-N 3.27Å; N59-S61 PolarHBondContact OD1-OG 3.06Å; S61-T92 PolarHBondContact OG-OG1 3.42Å; S61-T92 VanDerWaalsContact OG-OG1 3.1Å
62G82.8Confident82.5Confident30 Ų3043 Ų4331%0.30925%0.247SC..  trans157.3146.5177.600000111.5
63R78.5Confident81.4Confident62 Ų6243.4 Ų43.423%0.23424%0.236CC..  trans-59.9137.7169.7-176.658.4176.1-131.37.2109.4I65 E67 Y81 E84 V85 S88 R89R63-I65 PolarHBondContact O-N 2.85Å; R63-E67 IonicContact CZ-OE2 3.17Å; R63-E67 IonicContact NE-OE2 2.81Å; R63-E67 PolarHBondContact NE-OE2 2.84Å; R63-E67 VanDerWaalsContact NH2-CD 3.32Å; R63-E67 IonicContact NH2-OE1 3.15Å; R63-E67 PolarHBondContact NH2-OE1 3.19Å; R63-E67 VanDerWaalsContact NH2-OE1 3.15Å; R63-E67 IonicContact NH2-OE2 2.7Å; R63-E67 PolarHBondContact NH2-OE2 3.47Å; R63-Y81 HydrophobicContact CG-CD2 4.2Å; R63-Y81 HydrophobicContact CG-CE2 3.87Å; R63-E84 HydrophobicContact CB-CG 4.41Å; R63-E84 WeakPolarHBondContact CD-OE1 3.26Å; R63-E84 IonicContact CZ-OE1 3.84Å; R63-E84 IonicContact CZ-OE2 3.7Å; R63-E84 IonicContact NH1-OE1 2.93Å; R63-E84 PolarHBondContact NH1-OE1 2.88Å; R63-E84 IonicContact NH1-OE2 3.13Å; R63-E84 PolarHBondContact NH1-OE2 3.5Å; R63-E84 VanDerWaalsContact NH1-OE2 3.13Å; R63-V85 HydrophobicContact CB-CG2 3.99Å; R63-V85 HydrophobicContact CG-CG2 4.12Å; R63-S88 PolarHBondContact N-OG 2.96Å; R63-R89 PolarHBondContact O-NH1 3.28Å; R63-R89 PolarHBondContact O-NH2 2.84Å
64N72.2Confident80.5Confident86 Ų8643.3 Ų43.346%0.4624%0.235SC..  trans-61.6123.8175.1-174.6-70.2000108.5G66 E67 Y81N64-G66 VanDerWaalsContact OD1-C 3.28Å; N64-G66 VanDerWaalsContact OD1-CA 3.25Å; N64-G66 WeakPolarHBondContact OD1-CA 3.38Å; N64-G66 PolarHBondContact OD1-N 3.46Å; N64-E67 PolarHBondContact OD1-N 3.38Å; N64-Y81 PolarHBondContact O-OH 2.99Å
65I66.5Low79.4Confident42 Ų4249 Ų4922%0.21526%0.26CS..THydrogen-bonded Turntrans-88.6-15.3-177.2-49.8138.5000112.3R63 E67 Y81 V85 F116R63-I65 PolarHBondContact O-N 2.85Å; I65-E67 PolarHBondContact O-N 2.94Å; I65-Y81 WeakPolarHBondContact CA-OH 3.31Å; I65-Y81 PolarHBondContact O-OH 2.61Å; I65-V85 HydrophobicContact CD1-CG1 4.27Å; I65-V85 HydrophobicContact CG1-CB 4.5Å; I65-V85 HydrophobicContact CG1-CG1 3.73Å; I65-V85 HydrophobicContact CG1-CG2 3.91Å; I65-F116 HydrophobicContact CB-CE1 3.56Å; I65-F116 HydrophobicContact CB-CZ 4.18Å; I65-F116 HydrophobicContact CD1-CE1 3.71Å; I65-F116 HydrophobicContact CD1-CZ 3.56Å; I65-F116 HydrophobicContact CG1-CE1 4.06Å; I65-F116 HydrophobicContact CG1-CZ 4.18Å; I65-F116 HydrophobicContact CG2-CD1 4.02Å; I65-F116 HydrophobicContact CG2-CE1 3.1Å; I65-F116 HydrophobicContact CG2-CZ 3.73Å
66G61.1Low78.5Confident32 Ų3252.4 Ų52.433%0.3327%0.274SS..THydrogen-bonded Turntrans-81.214.8172.900000113.8N64 V68N64-G66 VanDerWaalsContact OD1-C 3.28Å; N64-G66 VanDerWaalsContact OD1-CA 3.25Å; N64-G66 WeakPolarHBondContact OD1-CA 3.38Å; N64-G66 PolarHBondContact OD1-N 3.46Å; G66-V68 PolarHBondContact O-N 2.88Å
67E66.8Low77.7Confident52 Ų5255.2 Ų55.224%0.24329%0.289CS..  trans-66.2124.3176-173.7172.5163.800109.7R63 N64 I65 N69 F72 Y81R63-E67 IonicContact CZ-OE2 3.17Å; R63-E67 IonicContact NE-OE2 2.81Å; R63-E67 PolarHBondContact NE-OE2 2.84Å; R63-E67 VanDerWaalsContact NH2-CD 3.32Å; R63-E67 IonicContact NH2-OE1 3.15Å; R63-E67 PolarHBondContact NH2-OE1 3.19Å; R63-E67 VanDerWaalsContact NH2-OE1 3.15Å; R63-E67 IonicContact NH2-OE2 2.7Å; R63-E67 PolarHBondContact NH2-OE2 3.47Å; N64-E67 PolarHBondContact OD1-N 3.38Å; I65-E67 PolarHBondContact O-N 2.94Å; E67-N69 HydrophobicContact CG-CB 4.36Å; E67-N69 PolarHBondContact OE1-ND2 3.29Å; E67-F72 HydrophobicContact CB-CE2 4.23Å; E67-F72 HydrophobicContact CG-CE2 4.14Å; E67-F72 HydrophobicContact CG-CZ 4.22Å; E67-F72 WeakPolarHBondContact O-CE2 3.5Å; E67-Y81 HydrophobicContact CB-CE2 3.99Å
68V62.1Low76.5Confident77 Ų7756.4 Ų56.447%0.46729%0.294SS..  trans-106.2106.2171.5-177.40000106.6G66 F122G66-V68 PolarHBondContact O-N 2.88Å; V68-F122 HydrophobicContact CB-CD2 4.18Å; V68-F122 HydrophobicContact CG1-CB 4.11Å; V68-F122 HydrophobicContact CG1-CD2 4.22Å; V68-F122 HydrophobicContact CG1-CG 4.17Å; V68-F122 HydrophobicContact CG2-CD2 4.45Å
69N66.8Low75.4Confident52 Ų5258.7 Ų58.728%0.27830%0.303SS..  trans-122.9130.1179.7-165.8-34.3000109.3E67 L71 F72E67-N69 HydrophobicContact CG-CB 4.36Å; E67-N69 PolarHBondContact OE1-ND2 3.29Å; N69-L71 PolarHBondContact O-N 3.12Å; N69-L71 VanDerWaalsContact OD1-CB 3.28Å; N69-L71 WeakPolarHBondContact OD1-CB 3.47Å; N69-L71 WeakPolarHBondContact OD1-CG 3.3Å; N69-L71 PolarHBondContact OD1-N 3.08Å; N69-F72 HydrophobicContact CB-CD1 4.05Å; N69-F72 HydrophobicContact CB-CD2 3.81Å; N69-F72 HydrophobicContact CB-CE1 3.86Å; N69-F72 HydrophobicContact CB-CE2 3.64Å; N69-F72 HydrophobicContact CB-CG 4.01Å; N69-F72 HydrophobicContact CB-CZ 3.65Å; N69-F72 VanDerWaalsContact O-CB 3.28Å; N69-F72 WeakPolarHBondContact O-CB 3.4Å; N69-F72 WeakPolarHBondContact O-CG 3.26Å; N69-F72 PolarHBondContact O-N 3.34Å
70L69.6Low74.7Confident99 Ų9962.2 Ų62.252%0.51833%0.327SS..G310 helixtrans-58.9-27.9176.2-65.7174.7000111.7F72 F73 F126L70-F72 PolarHBondContact O-N 2.88Å; L70-F72 VanDerWaalsContact O-N 3.14Å; L70-F73 HydrophobicContact CD2-CD2 4.41Å; L70-F73 HydrophobicContact CD2-CE2 4.01Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 VanDerWaalsContact O-CD2 3.24Å; L70-F73 WeakPolarHBondContact O-CD2 3.35Å; L70-F73 PolarHBondContact O-N 3.35Å; L70-F73 VanDerWaalsContact O-N 3.11Å; L70-F126 HydrophobicContact CD1-CE1 4.48Å; L70-F126 HydrophobicContact CD1-CZ 4.06Å; L70-F126 HydrophobicContact CD2-CE1 4.13Å; L70-F126 HydrophobicContact CD2-CE2 4.22Å; L70-F126 HydrophobicContact CD2-CZ 3.72Å; L70-F126 HydrophobicContact CG-CZ 4.42Å
71L77.1Confident74.1Confident88 Ų8861.5 Ų61.546%0.46132%0.323SS..G310 helixtrans-61.6-20.6174.5-67.2178.4000112.7N69 F73 I74 N77N69-L71 PolarHBondContact O-N 3.12Å; N69-L71 VanDerWaalsContact OD1-CB 3.28Å; N69-L71 WeakPolarHBondContact OD1-CB 3.47Å; N69-L71 WeakPolarHBondContact OD1-CG 3.3Å; N69-L71 PolarHBondContact OD1-N 3.08Å; L71-F73 PolarHBondContact O-N 2.83Å; L71-I74 HydrophobicContact CD2-CD1 4.42Å; L71-I74 WeakPolarHBondContact O-CA 3.31Å; L71-I74 VanDerWaalsContact O-CB 3.3Å; L71-I74 WeakPolarHBondContact O-CB 3.31Å; L71-I74 PolarHBondContact O-N 3.22Å; L71-N77 HydrophobicContact CB-CB 4.22Å; L71-N77 VanDerWaalsContact O-CB 3.28Å; L71-N77 WeakPolarHBondContact O-CB 3.39Å
72F72.7Confident73.3Confident22 Ų2261.4 Ų61.410%0.09632%0.322CS..G310 helixtrans-75-1.8176.9-57.3-19.7000113.8E67 N69 L70 Y78 Y81 R314E67-F72 HydrophobicContact CB-CE2 4.23Å; E67-F72 HydrophobicContact CG-CE2 4.14Å; E67-F72 HydrophobicContact CG-CZ 4.22Å; E67-F72 WeakPolarHBondContact O-CE2 3.5Å; N69-F72 HydrophobicContact CB-CD1 4.05Å; N69-F72 HydrophobicContact CB-CD2 3.81Å; N69-F72 HydrophobicContact CB-CE1 3.86Å; N69-F72 HydrophobicContact CB-CE2 3.64Å; N69-F72 HydrophobicContact CB-CG 4.01Å; N69-F72 HydrophobicContact CB-CZ 3.65Å; N69-F72 VanDerWaalsContact O-CB 3.28Å; N69-F72 WeakPolarHBondContact O-CB 3.4Å; N69-F72 WeakPolarHBondContact O-CG 3.26Å; N69-F72 PolarHBondContact O-N 3.34Å; L70-F72 PolarHBondContact O-N 2.88Å; L70-F72 VanDerWaalsContact O-N 3.14Å; F72-Y78 HydrophobicContact CB-CD2 3.99Å; F72-Y78 HydrophobicContact CD2-CD2 4.44Å; F72-Y78 HydrophobicContact CG-CD2 4.11Å; F72-Y81 HydrophobicContact CE1-CD1 4.16Å; F72-Y81 HydrophobicContact CE1-CD2 4.05Å; F72-Y81 AromaticContact CE1-CG 3.66Å; F72-Y81 HydrophobicContact CE1-CG 3.66Å; F72-Y81 AromaticContact CE2-CD1 3.93Å; F72-Y81 HydrophobicContact CE2-CD1 3.93Å; F72-Y81 HydrophobicContact CE2-CD2 4.16Å; F72-Y81 AromaticContact CE2-CE1 3.89Å; F72-Y81 HydrophobicContact CE2-CE1 3.89Å; F72-Y81 HydrophobicContact CE2-CE2 4.11Å; F72-Y81 HydrophobicContact CE2-CG 4.02Å; F72-Y81 AromaticContact CE2-CZ 3.93Å; F72-Y81 AromaticContact CZ-CD1 3.73Å; F72-Y81 HydrophobicContact CZ-CD1 3.73Å; F72-Y81 AromaticContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CD2 3.4Å; F72-Y81 VanDerWaalsContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CE1 4.06Å; F72-Y81 AromaticContact CZ-CE2 3.74Å; F72-Y81 HydrophobicContact CZ-CE2 3.74Å; F72-Y81 AromaticContact CZ-CG 3.34Å; F72-Y81 HydrophobicContact CZ-CG 3.34Å; F72-R314 PolarHBondContact O-NH1 2.81Å
73F68.9Low73.2Confident112 Ų11264.9 Ų64.949%0.49133%0.33SS..G310 helixtrans-71.7-22161.8-73.5-74.5000111.8L70 L71 L309L70-F73 HydrophobicContact CD2-CD2 4.41Å; L70-F73 HydrophobicContact CD2-CE2 4.01Å; L70-F73 WeakPolarHBondContact O-CB 3.47Å; L70-F73 VanDerWaalsContact O-CD2 3.24Å; L70-F73 WeakPolarHBondContact O-CD2 3.35Å; L70-F73 PolarHBondContact O-N 3.35Å; L70-F73 VanDerWaalsContact O-N 3.11Å; L71-F73 PolarHBondContact O-N 2.83Å; F73-L309 WeakPolarHBondContact CE1-O 3.49Å; F73-L309 WeakPolarHBondContact CZ-O 3.42Å
74I75.5Confident73.4Confident81 Ų8164.7 Ų64.742%0.41533%0.332SS..SBendtrans-87.2120.1170.8-56171.3000107.5L71 E76 N77 Y78L71-I74 HydrophobicContact CD2-CD1 4.42Å; L71-I74 WeakPolarHBondContact O-CA 3.31Å; L71-I74 VanDerWaalsContact O-CB 3.3Å; L71-I74 WeakPolarHBondContact O-CB 3.31Å; L71-I74 PolarHBondContact O-N 3.22Å; I74-E76 VanDerWaalsContact C-N 3.29Å; I74-E76 HydrophobicContact CG2-CB 4.44Å; I74-E76 VanDerWaalsContact CG2-OE2 3.25Å; I74-E76 WeakPolarHBondContact CG2-OE2 3.23Å; I74-E76 PolarHBondContact O-N 3.19Å; I74-N77 HydrophobicContact CB-CB 4.3Å; I74-N77 PolarHBondContact O-N 2.99Å; I74-Y78 PolarHBondContact O-N 2.92Å; I74-Y78 VanDerWaalsContact O-N 3.09Å
75K73.5Confident73.7Confident123 Ų12360.7 Ų60.754%0.53531%0.31SS..Hα-helixtrans-59.9-39.3-171-169.4177.7-178.2-173.40112Y78 Y79K75-Y78 PolarHBondContact O-N 2.85Å; K75-Y79 HydrophobicContact CD-CE2 3.9Å; K75-Y79 WeakPolarHBondContact CE-OH 3.1Å; K75-Y79 HydrophobicContact CG-CD2 3.99Å; K75-Y79 HydrophobicContact CG-CE2 3.5Å; K75-Y79 WeakPolarHBondContact O-CD2 3.14Å; K75-Y79 PolarHBondContact O-N 3Å
76E78.3Confident74.3Confident106 Ų10660.2 Ų60.250%0.49531%0.306SS..Hα-helixtrans-63.6-45.3179.1-6570.6-156.100111.7I74 Y78 Y79 S80I74-E76 VanDerWaalsContact C-N 3.29Å; I74-E76 HydrophobicContact CG2-CB 4.44Å; I74-E76 VanDerWaalsContact CG2-OE2 3.25Å; I74-E76 WeakPolarHBondContact CG2-OE2 3.23Å; I74-E76 PolarHBondContact O-N 3.19Å; E76-Y78 VanDerWaalsContact C-N 3.3Å; E76-Y78 PolarHBondContact O-N 3.02Å; E76-Y79 PolarHBondContact O-N 2.63Å; E76-S80 WeakPolarHBondContact O-CB 3.38Å; E76-S80 PolarHBondContact O-N 3.01Å
77N80.5Confident75.3Confident59 Ų5961.2 Ų61.232%0.31631%0.306SS..Hα-helixtrans-65.9-37.2177.9-69.5-8000111.2L71 I74 Y81L71-N77 HydrophobicContact CB-CB 4.22Å; L71-N77 VanDerWaalsContact O-CB 3.28Å; L71-N77 WeakPolarHBondContact O-CB 3.39Å; I74-N77 HydrophobicContact CB-CB 4.3Å; I74-N77 PolarHBondContact O-N 2.99Å; N77-Y81 WeakPolarHBondContact O-CB 3.47Å; N77-Y81 PolarHBondContact O-N 3.43Å
78Y72.9Confident76.1Confident25 Ų2559.7 Ų59.710%0.09830%0.302CS..Hα-helixtrans-64.7-44.9173.8-179-110.8000111.8F72 I74 K75 E76 Y81 I82 Y158F72-Y78 HydrophobicContact CB-CD2 3.99Å; F72-Y78 HydrophobicContact CD2-CD2 4.44Å; F72-Y78 HydrophobicContact CG-CD2 4.11Å; I74-Y78 PolarHBondContact O-N 2.92Å; I74-Y78 VanDerWaalsContact O-N 3.09Å; K75-Y78 PolarHBondContact O-N 2.85Å; E76-Y78 VanDerWaalsContact C-N 3.3Å; E76-Y78 PolarHBondContact O-N 3.02Å; Y78-Y81 HydrophobicContact CD2-CD1 4.26Å; Y78-Y81 HydrophobicContact CE2-CD1 4.32Å; Y78-Y81 WeakPolarHBondContact O-CB 3.5Å; Y78-Y81 PolarHBondContact O-N 3.45Å; Y78-I82 HydrophobicContact CD1-CG1 4.3Å; Y78-I82 HydrophobicContact CD2-CG1 4.37Å; Y78-I82 HydrophobicContact CE1-CD1 4.46Å; Y78-I82 HydrophobicContact CE1-CG1 3.89Å; Y78-I82 HydrophobicContact CE2-CD1 4.01Å; Y78-I82 HydrophobicContact CE2-CG1 3.96Å; Y78-I82 VanDerWaalsContact O-CG1 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.13Å; Y78-I82 PolarHBondContact O-N 3Å; Y78-Y158 VanDerWaalsContact OH-CZ 3.28Å; Y78-Y158 PolarHBondContact OH-OH 2.98Å
79Y76.3Confident77.3Confident49 Ų4957 Ų5719%0.19228%0.283CS..Hα-helixtrans-65.1-42.4177.4-70.7-36.4000113K75 E76 Y81 I82 E83 Y155K75-Y79 HydrophobicContact CD-CE2 3.9Å; K75-Y79 WeakPolarHBondContact CE-OH 3.1Å; K75-Y79 HydrophobicContact CG-CD2 3.99Å; K75-Y79 HydrophobicContact CG-CE2 3.5Å; K75-Y79 WeakPolarHBondContact O-CD2 3.14Å; K75-Y79 PolarHBondContact O-N 3Å; E76-Y79 PolarHBondContact O-N 2.63Å; Y79-Y81 VanDerWaalsContact C-N 3.29Å; Y79-Y81 PolarHBondContact O-N 3.21Å; Y79-I82 PolarHBondContact O-N 3.23Å; Y79-E83 WeakPolarHBondContact O-CB 3.14Å; Y79-E83 PolarHBondContact O-N 2.85Å; Y79-Y155 HydrophobicContact CE1-CG 4.37Å
80S82.5Confident78.3Confident74 Ų7455.2 Ų55.252%0.51727%0.273SS..Hα-helixtrans-58.9-41.5173.6-175.80000111.7E76 E83 E84E76-S80 WeakPolarHBondContact O-CB 3.38Å; E76-S80 PolarHBondContact O-N 3.01Å; S80-E83 PolarHBondContact O-N 3.11Å; S80-E84 PolarHBondContact O-N 2.67Å
81Y80.3Confident79.2Confident12 Ų1254.7 Ų54.75%0.04727%0.271CS..Hα-helixtrans-62.9-44.1173.4162.8-104.4000113R63 N64 I65 E67 F72 N77 Y78 Y79 E83 E84 V85R63-Y81 HydrophobicContact CG-CD2 4.2Å; R63-Y81 HydrophobicContact CG-CE2 3.87Å; N64-Y81 PolarHBondContact O-OH 2.99Å; I65-Y81 WeakPolarHBondContact CA-OH 3.31Å; I65-Y81 PolarHBondContact O-OH 2.61Å; E67-Y81 HydrophobicContact CB-CE2 3.99Å; F72-Y81 HydrophobicContact CE1-CD1 4.16Å; F72-Y81 HydrophobicContact CE1-CD2 4.05Å; F72-Y81 AromaticContact CE1-CG 3.66Å; F72-Y81 HydrophobicContact CE1-CG 3.66Å; F72-Y81 AromaticContact CE2-CD1 3.93Å; F72-Y81 HydrophobicContact CE2-CD1 3.93Å; F72-Y81 HydrophobicContact CE2-CD2 4.16Å; F72-Y81 AromaticContact CE2-CE1 3.89Å; F72-Y81 HydrophobicContact CE2-CE1 3.89Å; F72-Y81 HydrophobicContact CE2-CE2 4.11Å; F72-Y81 HydrophobicContact CE2-CG 4.02Å; F72-Y81 AromaticContact CE2-CZ 3.93Å; F72-Y81 AromaticContact CZ-CD1 3.73Å; F72-Y81 HydrophobicContact CZ-CD1 3.73Å; F72-Y81 AromaticContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CD2 3.4Å; F72-Y81 VanDerWaalsContact CZ-CD2 3.4Å; F72-Y81 HydrophobicContact CZ-CE1 4.06Å; F72-Y81 AromaticContact CZ-CE2 3.74Å; F72-Y81 HydrophobicContact CZ-CE2 3.74Å; F72-Y81 AromaticContact CZ-CG 3.34Å; F72-Y81 HydrophobicContact CZ-CG 3.34Å; N77-Y81 WeakPolarHBondContact O-CB 3.47Å; N77-Y81 PolarHBondContact O-N 3.43Å; Y78-Y81 HydrophobicContact CD2-CD1 4.26Å; Y78-Y81 HydrophobicContact CE2-CD1 4.32Å; Y78-Y81 WeakPolarHBondContact O-CB 3.5Å; Y78-Y81 PolarHBondContact O-N 3.45Å; Y79-Y81 VanDerWaalsContact C-N 3.29Å; Y79-Y81 PolarHBondContact O-N 3.21Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; Y81-E84 WeakPolarHBondContact O-CB 3.21Å; Y81-E84 PolarHBondContact O-N 3.42Å; Y81-V85 HydrophobicContact CD2-CG2 4.37Å; Y81-V85 HydrophobicContact CE1-CG2 4.25Å; Y81-V85 HydrophobicContact CE2-CG2 4.02Å; Y81-V85 WeakPolarHBondContact O-CG2 3.15Å; Y81-V85 PolarHBondContact O-N 3.44Å
82I75.5Confident79.9Confident7 Ų751.4 Ų51.44%0.03625%0.254CS..Hα-helixtrans-64.3-40.5177.4-69.9-62000110.7Y78 Y79 V85 F86 Y155 Y158 F181Y78-I82 HydrophobicContact CD1-CG1 4.3Å; Y78-I82 HydrophobicContact CD2-CG1 4.37Å; Y78-I82 HydrophobicContact CE1-CD1 4.46Å; Y78-I82 HydrophobicContact CE1-CG1 3.89Å; Y78-I82 HydrophobicContact CE2-CD1 4.01Å; Y78-I82 HydrophobicContact CE2-CG1 3.96Å; Y78-I82 VanDerWaalsContact O-CG1 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.13Å; Y78-I82 PolarHBondContact O-N 3Å; Y79-I82 PolarHBondContact O-N 3.23Å; I82-V85 WeakPolarHBondContact O-CB 3.49Å; I82-V85 PolarHBondContact O-N 2.79Å; I82-V85 VanDerWaalsContact O-N 3.13Å; I82-F86 HydrophobicContact CG2-CD2 4.15Å; I82-F86 HydrophobicContact CG2-CE2 4.1Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.31Å; I82-F86 PolarHBondContact O-N 2.8Å; I82-Y155 HydrophobicContact CG2-CD1 4.4Å; I82-Y155 HydrophobicContact CG2-CE1 4.29Å; I82-Y158 HydrophobicContact CD1-CE1 4.48Å; I82-F181 HydrophobicContact CG2-CE1 3.62Å; I82-F181 HydrophobicContact CG2-CE2 4.38Å; I82-F181 HydrophobicContact CG2-CZ 3.24Å
83E79.3Confident80.9Confident103 Ų10350.3 Ų50.348%0.48125%0.25SC..Hα-helixtrans-61.6-42.7172.9-174177.7-16600111.6Y79 S80 Y81 V85 F86 T87Y79-E83 WeakPolarHBondContact O-CB 3.14Å; Y79-E83 PolarHBondContact O-N 2.85Å; S80-E83 PolarHBondContact O-N 3.11Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 2.77Å; E83-F86 PolarHBondContact O-N 2.92Å; E83-T87 HydrophobicContact CG-CG2 4.24Å; E83-T87 WeakPolarHBondContact O-CB 2.94Å; E83-T87 WeakPolarHBondContact O-CG2 3.31Å; E83-T87 PolarHBondContact O-N 2.94Å; E83-T87 PolarHBondContact O-OG1 2.74Å
84E82.6Confident82.1Confident58 Ų5850 Ų5027%0.27125%0.248SC..Hα-helixtrans-60.2-40.2172.3-166.7-169.2159.300110.9R32 R63 S80 Y81 F86 T87 S88R32-E84 IonicContact NH1-OE1 3.08Å; R32-E84 PolarHBondContact NH1-OE1 3.41Å; R32-E84 VanDerWaalsContact NH1-OE1 3.08Å; R63-E84 HydrophobicContact CB-CG 4.41Å; R63-E84 WeakPolarHBondContact CD-OE1 3.26Å; R63-E84 IonicContact CZ-OE1 3.84Å; R63-E84 IonicContact CZ-OE2 3.7Å; R63-E84 IonicContact NH1-OE1 2.93Å; R63-E84 PolarHBondContact NH1-OE1 2.88Å; R63-E84 IonicContact NH1-OE2 3.13Å; R63-E84 PolarHBondContact NH1-OE2 3.5Å; R63-E84 VanDerWaalsContact NH1-OE2 3.13Å; S80-E84 PolarHBondContact O-N 2.67Å; Y81-E84 WeakPolarHBondContact O-CB 3.21Å; Y81-E84 PolarHBondContact O-N 3.42Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.41Å; E84-T87 WeakPolarHBondContact CA-OG1 3.41Å; E84-T87 PolarHBondContact O-OG1 2.83Å; E84-S88 WeakPolarHBondContact O-CB 3.38Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 3.38Å
85V78.6Confident83.1Confident1 Ų148 Ų481%0.00624%0.238CC..Hα-helixtrans-60.1-40.9176.6159.60000112R63 I65 Y81 I82 E83 S88 R89 L185R63-V85 HydrophobicContact CB-CG2 3.99Å; R63-V85 HydrophobicContact CG-CG2 4.12Å; I65-V85 HydrophobicContact CD1-CG1 4.27Å; I65-V85 HydrophobicContact CG1-CB 4.5Å; I65-V85 HydrophobicContact CG1-CG1 3.73Å; I65-V85 HydrophobicContact CG1-CG2 3.91Å; Y81-V85 HydrophobicContact CD2-CG2 4.37Å; Y81-V85 HydrophobicContact CE1-CG2 4.25Å; Y81-V85 HydrophobicContact CE2-CG2 4.02Å; Y81-V85 WeakPolarHBondContact O-CG2 3.15Å; Y81-V85 PolarHBondContact O-N 3.44Å; I82-V85 WeakPolarHBondContact O-CB 3.49Å; I82-V85 PolarHBondContact O-N 2.79Å; I82-V85 VanDerWaalsContact O-N 3.13Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 2.77Å; V85-S88 PolarHBondContact O-OG 3.23Å; V85-R89 WeakPolarHBondContact O-CD 3.44Å; V85-R89 WeakPolarHBondContact O-CG 3.5Å; V85-R89 PolarHBondContact O-NH1 3.43Å; V85-R89 VanDerWaalsContact O-NH1 3.08Å; V85-L185 HydrophobicContact CG1-CD2 3.9Å
86F78.5Confident84.1Confident32 Ų3242.2 Ų42.214%0.1421%0.213CC..Hα-helixtrans-71.3-59.1177.4-88.1-112.8000111.4I82 E83 E84 S88 R89 I90 F181 L185I82-F86 HydrophobicContact CG2-CD2 4.15Å; I82-F86 HydrophobicContact CG2-CE2 4.1Å; I82-F86 VanDerWaalsContact O-CD2 3.27Å; I82-F86 WeakPolarHBondContact O-CD2 3.31Å; I82-F86 PolarHBondContact O-N 2.8Å; E83-F86 PolarHBondContact O-N 2.92Å; E84-F86 VanDerWaalsContact C-N 3.33Å; E84-F86 PolarHBondContact O-N 3.41Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.26Å; F86-R89 PolarHBondContact O-N 2.81Å; F86-I90 HydrophobicContact CB-CD1 4.43Å; F86-I90 HydrophobicContact CD1-CD1 3.73Å; F86-I90 HydrophobicContact CE1-CD1 4.5Å; F86-I90 HydrophobicContact CG-CD1 4.46Å; F86-I90 WeakPolarHBondContact O-CB 3.47Å; F86-I90 PolarHBondContact O-N 3.29Å; F86-F181 HydrophobicContact CD2-CZ 4.02Å; F86-F181 HydrophobicContact CE1-CE2 4.44Å; F86-F181 HydrophobicContact CE1-CZ 4.43Å; F86-F181 AromaticContact CE2-CE1 3.48Å; F86-F181 HydrophobicContact CE2-CE1 3.48Å; F86-F181 VanDerWaalsContact CE2-CE1 3.48Å; F86-F181 AromaticContact CE2-CE2 3.74Å; F86-F181 HydrophobicContact CE2-CE2 3.74Å; F86-F181 AromaticContact CE2-CZ 2.98Å; F86-F181 HydrophobicContact CE2-CZ 2.98Å; F86-F181 HydrophobicContact CZ-CD2 4.33Å; F86-F181 AromaticContact CZ-CE1 3.87Å; F86-F181 HydrophobicContact CZ-CE1 3.87Å; F86-F181 AromaticContact CZ-CE2 3.45Å; F86-F181 HydrophobicContact CZ-CE2 3.45Å; F86-F181 VanDerWaalsContact CZ-CE2 3.45Å; F86-F181 AromaticContact CZ-CZ 3.22Å; F86-F181 HydrophobicContact CZ-CZ 3.22Å; F86-L185 HydrophobicContact CB-CD1 4.5Å; F86-L185 HydrophobicContact CD1-CD1 3.6Å; F86-L185 HydrophobicContact CD2-CD1 3.72Å; F86-L185 HydrophobicContact CD2-CD2 4.17Å; F86-L185 HydrophobicContact CD2-CG 4.41Å; F86-L185 HydrophobicContact CE1-CB 3.95Å; F86-L185 HydrophobicContact CE1-CD1 3.58Å; F86-L185 HydrophobicContact CE1-CG 4.28Å; F86-L185 HydrophobicContact CE2-CB 3.86Å; F86-L185 HydrophobicContact CE2-CD1 3.66Å; F86-L185 HydrophobicContact CE2-CD2 3.74Å; F86-L185 HydrophobicContact CE2-CG 3.92Å; F86-L185 HydrophobicContact CG-CD1 3.7Å; F86-L185 HydrophobicContact CZ-CB 3.43Å; F86-L185 VanDerWaalsContact CZ-CB 3.43Å; F86-L185 HydrophobicContact CZ-CD1 3.65Å; F86-L185 HydrophobicContact CZ-CD2 4.22Å; F86-L185 HydrophobicContact CZ-CG 3.91Å
87T83Confident85Confident54 Ų5437.5 Ų37.533%0.33119%0.192SC..Hα-helixtrans-59.2-42.8-175.752.10000111.5E83 E84 R89 D91E83-T87 HydrophobicContact CG-CG2 4.24Å; E83-T87 WeakPolarHBondContact O-CB 2.94Å; E83-T87 WeakPolarHBondContact O-CG2 3.31Å; E83-T87 PolarHBondContact O-N 2.94Å; E83-T87 PolarHBondContact O-OG1 2.74Å; E84-T87 WeakPolarHBondContact CA-OG1 3.41Å; E84-T87 PolarHBondContact O-OG1 2.83Å; T87-R89 PolarHBondContact O-N 3.43Å; T87-D91 WeakPolarHBondContact CB-OD2 3.34Å; T87-D91 VanDerWaalsContact O-CB 3.29Å; T87-D91 WeakPolarHBondContact O-CB 3.42Å; T87-D91 PolarHBondContact O-N 2.55Å
88S84.1Confident85.7Confident20 Ų2038.9 Ų38.914%0.1420%0.199CC..Hα-helixtrans-65.7-12178.367.40000115.3R63 E84 V85 F86 T92R63-S88 PolarHBondContact N-OG 2.96Å; E84-S88 WeakPolarHBondContact O-CB 3.38Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 3.38Å; V85-S88 PolarHBondContact O-OG 3.23Å; F86-S88 VanDerWaalsContact C-N 3.33Å; F86-S88 PolarHBondContact O-N 3.26Å; S88-T92 PolarHBondContact O-OG1 3.14Å
89R87Confident86.7Confident21 Ų2139.6 Ų39.68%0.07920%0.204CC..Hα-helixtrans-106.9-54.3175.8-75.1174.1173.6709.1111.4R63 V85 F86 T87 T92 T93 W189R63-R89 PolarHBondContact O-NH1 3.28Å; R63-R89 PolarHBondContact O-NH2 2.84Å; V85-R89 WeakPolarHBondContact O-CD 3.44Å; V85-R89 WeakPolarHBondContact O-CG 3.5Å; V85-R89 PolarHBondContact O-NH1 3.43Å; V85-R89 VanDerWaalsContact O-NH1 3.08Å; F86-R89 PolarHBondContact O-N 2.81Å; T87-R89 PolarHBondContact O-N 3.43Å; R89-T92 PolarHBondContact O-OG1 2.86Å; R89-T92 VanDerWaalsContact O-OG1 3.12Å; R89-T93 WeakPolarHBondContact O-CB 3.28Å; R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 2.88Å; R89-W189 HydrophobicContact CB-CD2 4.07Å; R89-W189 HydrophobicContact CB-CG 4.21Å; R89-W189 HydrophobicContact CB-CZ2 4.23Å; R89-W189 HydrophobicContact CG-CD2 4.22Å; R89-W189 HydrophobicContact CG-CH2 4.12Å; R89-W189 HydrophobicContact CG-CZ2 3.76Å; R89-W189 HydrophobicContact CG-CZ3 4.47Å
90I86.6Confident87.7Confident13 Ų1337.3 Ų37.37%0.06720%0.195CC..Hα-helixtrans-69.2-47-173.1-64.1175.2000110.2F86 T93 K94 L185 Q188 A192F86-I90 HydrophobicContact CB-CD1 4.43Å; F86-I90 HydrophobicContact CD1-CD1 3.73Å; F86-I90 HydrophobicContact CE1-CD1 4.5Å; F86-I90 HydrophobicContact CG-CD1 4.46Å; F86-I90 WeakPolarHBondContact O-CB 3.47Å; F86-I90 PolarHBondContact O-N 3.29Å; I90-T93 PolarHBondContact O-N 2.82Å; I90-K94 HydrophobicContact CG2-CD 3.96Å; I90-K94 HydrophobicContact CG2-CG 4.42Å; I90-K94 WeakPolarHBondContact O-CB 3.24Å; I90-K94 VanDerWaalsContact O-CG 3.31Å; I90-K94 WeakPolarHBondContact O-CG 3.28Å; I90-K94 PolarHBondContact O-N 3.17Å; I90-L185 HydrophobicContact CD1-CD1 4.37Å; I90-Q188 HydrophobicContact CD1-CB 4.16Å; I90-A192 HydrophobicContact CG2-CB 4.24Å
91D90.3Very high88.2Confident88 Ų8838.3 Ų38.347%0.47119%0.19SC..Hα-helixtrans-72.7-41-173.3-59.2-24.6000111.8T87 T93 K94 L95T87-D91 WeakPolarHBondContact CB-OD2 3.34Å; T87-D91 VanDerWaalsContact O-CB 3.29Å; T87-D91 WeakPolarHBondContact O-CB 3.42Å; T87-D91 PolarHBondContact O-N 2.55Å; D91-T93 VanDerWaalsContact C-N 3.34Å; D91-K94 PolarHBondContact O-N 2.98Å; D91-L95 WeakPolarHBondContact O-CB 3.42Å; D91-L95 PolarHBondContact O-N 3.4Å
92T90.9Very high88.7Confident19 Ų1943 Ų4312%0.11723%0.225CC..Hα-helixtrans-64.4-39.9174.952.70000111.5W42 S61 S88 R89 L96W42-T92 HydrophobicContact CD2-CG2 3.94Å; W42-T92 HydrophobicContact CE3-CG2 4.08Å; W42-T92 HydrophobicContact CH2-CG2 3.93Å; W42-T92 HydrophobicContact CZ2-CG2 3.79Å; W42-T92 HydrophobicContact CZ3-CG2 4.06Å; S61-T92 PolarHBondContact OG-OG1 3.42Å; S61-T92 VanDerWaalsContact OG-OG1 3.1Å; S88-T92 PolarHBondContact O-OG1 3.14Å; R89-T92 PolarHBondContact O-OG1 2.86Å; R89-T92 VanDerWaalsContact O-OG1 3.12Å; T92-L96 WeakPolarHBondContact O-CG 3.08Å; T92-L96 PolarHBondContact O-N 2.67Å; T92-L96 VanDerWaalsContact O-N 3.14Å
93T93.8Very high89.4Confident0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-65.8-49.6176.4-59.60000110.9N59 R89 I90 D91 L95 L96 V97 N110 W189 A192 A193N59-T93 PolarHBondContact ND2-OG1 3.14Å; R89-T93 WeakPolarHBondContact O-CB 3.28Å; R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 2.88Å; I90-T93 PolarHBondContact O-N 2.82Å; D91-T93 VanDerWaalsContact C-N 3.34Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.44Å; T93-L96 PolarHBondContact O-N 2.95Å; T93-V97 HydrophobicContact CG2-CG2 4.37Å; T93-V97 WeakPolarHBondContact O-CB 3.45Å; T93-V97 WeakPolarHBondContact O-CG2 3.11Å; T93-V97 PolarHBondContact O-N 3.02Å; T93-N110 PolarHBondContact OG1-OD1 2.71Å; T93-W189 PolarHBondContact OG1-NE1 2.69Å; T93-W189 VanDerWaalsContact OG1-NE1 3.14Å; T93-A192 HydrophobicContact CG2-CB 4.35Å; T93-A193 VanDerWaalsContact CG2-CA 3.43Å; T93-A193 HydrophobicContact CG2-CB 3.56Å
94K94.5Very high89.9Confident104 Ų10442.6 Ų42.645%0.45223%0.233SC..Hα-helixtrans-56.9-45.2177-77177.6178.3173.70112I90 D91 L96 V97 D98 A192I90-K94 HydrophobicContact CG2-CD 3.96Å; I90-K94 HydrophobicContact CG2-CG 4.42Å; I90-K94 WeakPolarHBondContact O-CB 3.24Å; I90-K94 VanDerWaalsContact O-CG 3.31Å; I90-K94 WeakPolarHBondContact O-CG 3.28Å; I90-K94 PolarHBondContact O-N 3.17Å; D91-K94 PolarHBondContact O-N 2.98Å; K94-L96 PolarHBondContact O-N 2.9Å; K94-V97 PolarHBondContact O-N 2.84Å; K94-D98 WeakPolarHBondContact O-CB 3.47Å; K94-D98 PolarHBondContact O-N 3.34Å; K94-A192 HydrophobicContact CG-CB 3.99Å
95L95Very high90.5Very high41 Ų4140 Ų4022%0.21522%0.221CC..Hα-helixtrans-56.5-49.3176.6174.361.4000111.6W42 I45 K46 D91 T93 D98 L99W42-L95 HydrophobicContact CE3-CD2 4.08Å; I45-L95 HydrophobicContact CG2-CD2 4.13Å; I45-L95 HydrophobicContact CG2-CG 4.34Å; K46-L95 HydrophobicContact CB-CD1 4.39Å; K46-L95 HydrophobicContact CB-CD2 4.26Å; K46-L95 HydrophobicContact CG-CD1 4.43Å; D91-L95 WeakPolarHBondContact O-CB 3.42Å; D91-L95 PolarHBondContact O-N 3.4Å; T93-L95 VanDerWaalsContact C-N 3.32Å; T93-L95 PolarHBondContact O-N 3.44Å; L95-D98 PolarHBondContact O-N 2.79Å; L95-L99 HydrophobicContact CD1-CD1 3.93Å; L95-L99 HydrophobicContact CD1-CG 4.28Å; L95-L99 HydrophobicContact CG-CD1 4.22Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.19Å; L95-L99 PolarHBondContact O-N 2.84Å; L95-L99 VanDerWaalsContact O-N 3.12Å
96L96Very high91.4Very high0 Ų045.3 Ų45.30%024%0.244CC..Hα-helixtrans-67.1-39.6179.5-66.9173.8000112.1I30 W42 I45 L50 I57 N59 T92 T93 K94 L99 S100 F108I30-L96 HydrophobicContact CD1-CD2 3.98Å; W42-L96 HydrophobicContact CH2-CD1 3.89Å; W42-L96 HydrophobicContact CH2-CG 4.35Å; W42-L96 HydrophobicContact CZ3-CD1 3.97Å; W42-L96 HydrophobicContact CZ3-CD2 4.12Å; W42-L96 HydrophobicContact CZ3-CG 3.91Å; I45-L96 HydrophobicContact CG2-CD2 4.37Å; L50-L96 HydrophobicContact CD2-CD2 3.98Å; I57-L96 HydrophobicContact CG2-CD1 4.12Å; N59-L96 HydrophobicContact CB-CD1 3.88Å; T92-L96 WeakPolarHBondContact O-CG 3.08Å; T92-L96 PolarHBondContact O-N 2.67Å; T92-L96 VanDerWaalsContact O-N 3.14Å; T93-L96 PolarHBondContact O-N 2.95Å; K94-L96 PolarHBondContact O-N 2.9Å; L96-L99 PolarHBondContact O-N 2.81Å; L96-S100 VanDerWaalsContact O-CB 3.24Å; L96-S100 WeakPolarHBondContact O-CB 3.37Å; L96-S100 PolarHBondContact O-N 2.86Å; L96-S100 PolarHBondContact O-OG 2.82Å; L96-F108 HydrophobicContact CB-CE2 3.81Å; L96-F108 HydrophobicContact CB-CZ 4.19Å; L96-F108 HydrophobicContact CD1-CE2 4.48Å
97V95.7Very high92.3Very high8 Ų843.8 Ų43.85%0.04824%0.237CC..Hα-helixtrans-60.1-47.4175.7154.40000111.3T93 K94 L99 S100 K101 F108 A192 Q194 I195T93-V97 HydrophobicContact CG2-CG2 4.37Å; T93-V97 WeakPolarHBondContact O-CB 3.45Å; T93-V97 WeakPolarHBondContact O-CG2 3.11Å; T93-V97 PolarHBondContact O-N 3.02Å; K94-V97 PolarHBondContact O-N 2.84Å; V97-L99 PolarHBondContact O-N 2.83Å; V97-S100 WeakPolarHBondContact O-CB 3.16Å; V97-S100 PolarHBondContact O-N 2.93Å; V97-K101 PolarHBondContact O-N 2.94Å; V97-F108 HydrophobicContact CG2-CE1 3.9Å; V97-F108 HydrophobicContact CG2-CZ 3.93Å; V97-A192 WeakPolarHBondContact CG2-O 3.37Å; V97-Q194 WeakPolarHBondContact CG1-O 3.33Å; V97-I195 HydrophobicContact CB-CG1 4.19Å; V97-I195 HydrophobicContact CG1-CG1 3.93Å; V97-I195 HydrophobicContact CG2-CD1 4.17Å; V97-I195 HydrophobicContact CG2-CG1 3.79Å
98D95.5Very high93Very high87 Ų8741.2 Ų41.247%0.46522%0.221SC..Hα-helixtrans-62-45179.5-77-27.6000111.8K94 L95 S100 K101K94-D98 WeakPolarHBondContact O-CB 3.47Å; K94-D98 PolarHBondContact O-N 3.34Å; L95-D98 PolarHBondContact O-N 2.79Å; D98-S100 VanDerWaalsContact C-N 3.28Å; D98-S100 PolarHBondContact O-N 3.08Å; D98-K101 WeakPolarHBondContact O-CB 3.31Å; D98-K101 PolarHBondContact O-N 2.79Å; D98-K101 IonicContact OD1-NZ 3.96Å; D98-K101 PolarHBondContact OD1-NZ 2.97Å
99L95.6Very high93.6Very high41 Ų4140.3 Ų40.322%0.21522%0.215CC..Hα-helixtrans-67.8-29.8176.7-64.8172.8000112.7I45 L50 L95 L96 V97 K101 A103I45-L99 HydrophobicContact CG2-CD1 3.41Å; I45-L99 VanDerWaalsContact CG2-CD1 3.41Å; L50-L99 HydrophobicContact CD1-CB 3.63Å; L50-L99 HydrophobicContact CD2-CB 4.47Å; L50-L99 HydrophobicContact CD2-CD1 4.4Å; L50-L99 HydrophobicContact CG-CB 3.67Å; L50-L99 HydrophobicContact CG-CD1 4.14Å; L95-L99 HydrophobicContact CD1-CD1 3.93Å; L95-L99 HydrophobicContact CD1-CG 4.28Å; L95-L99 HydrophobicContact CG-CD1 4.22Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.19Å; L95-L99 PolarHBondContact O-N 2.84Å; L95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 PolarHBondContact O-N 2.81Å; V97-L99 PolarHBondContact O-N 2.83Å; L99-K101 VanDerWaalsContact C-N 3.27Å; L99-K101 PolarHBondContact O-N 2.9Å; L99-A103 WeakPolarHBondContact O-CB 2.93Å; L99-A103 PolarHBondContact O-N 2.71Å
100S95.4Very high94.1Very high0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-69.7-22.7179.7-65.20000113.2L96 V97 D98 S102 A103 I105 R198L96-S100 VanDerWaalsContact O-CB 3.24Å; L96-S100 WeakPolarHBondContact O-CB 3.37Å; L96-S100 PolarHBondContact O-N 2.86Å; L96-S100 PolarHBondContact O-OG 2.82Å; V97-S100 WeakPolarHBondContact O-CB 3.16Å; V97-S100 PolarHBondContact O-N 2.93Å; D98-S100 VanDerWaalsContact C-N 3.28Å; D98-S100 PolarHBondContact O-N 3.08Å; S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 3.13Å; S100-A103 PolarHBondContact O-N 3.25Å; S100-I105 WeakPolarHBondContact OG-CD1 3.28Å; S100-R198 PolarHBondContact O-NH1 2.88Å; S100-R198 VanDerWaalsContact O-NH1 3.15Å
101K94Very high94.4Very high95 Ų9539.3 Ų39.341%0.41321%0.213SC..THydrogen-bonded Turntrans-56-40.9-179.4-70170.3179.8163.40112.2V97 D98 L99 I195 R198V97-K101 PolarHBondContact O-N 2.94Å; D98-K101 WeakPolarHBondContact O-CB 3.31Å; D98-K101 PolarHBondContact O-N 2.79Å; D98-K101 IonicContact OD1-NZ 3.96Å; D98-K101 PolarHBondContact OD1-NZ 2.97Å; L99-K101 VanDerWaalsContact C-N 3.27Å; L99-K101 PolarHBondContact O-N 2.9Å; K101-I195 HydrophobicContact CG-CG2 4.12Å; K101-R198 PolarHBondContact O-NH1 2.73Å
102S89.9Confident94.3Very high111 Ų11135.3 Ų35.378%0.77619%0.192SC*.THydrogen-bonded Turntrans-106.3-2.5-178.557.70000114.4S100S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 3.13Å
103A91.1Very high94Very high14 Ų1435.3 Ų35.312%0.11619%0.194CC..SBendtrans-87147.8-178.400000111.7L50 L99 S100 I105 R198L50-A103 HydrophobicContact CD1-CB 3.71Å; L99-A103 WeakPolarHBondContact O-CB 2.93Å; L99-A103 PolarHBondContact O-N 2.71Å; S100-A103 PolarHBondContact O-N 3.25Å; A103-I105 HydrophobicContact CB-CG2 4.05Å; A103-I105 PolarHBondContact O-N 3.14Å; A103-R198 PolarHBondContact O-NH1 2.99Å
104P90.5Very high93.1Very high88 Ų8835.4 Ų35.457%0.57119%0.194SC*.  trans-77.836.8178.835.4-37.6000112.8S52S52-P104 WeakPolarHBondContact O-CG 3.29Å
105I95.6Very high91.6Very high3 Ų331 Ų312%0.01518%0.179CC..  trans-72.8153.8175.468.2160.3000110.5V54 I57 S100 A103 F108 R198 I201V54-I105 HydrophobicContact CG1-CG2 4.18Å; I57-I105 HydrophobicContact CD1-CD1 4.18Å; I57-I105 HydrophobicContact CD1-CG2 3.99Å; I57-I105 HydrophobicContact CG1-CG2 4.19Å; S100-I105 WeakPolarHBondContact OG-CD1 3.28Å; A103-I105 HydrophobicContact CB-CG2 4.05Å; A103-I105 PolarHBondContact O-N 3.14Å; I105-F108 HydrophobicContact CD1-CB 4.24Å; I105-R198 PolarHBondContact O-NH2 3.25Å; I105-I201 HydrophobicContact CD1-CD1 4.08Å; I105-I201 HydrophobicContact CG1-CG2 4.29Å; I105-I201 VanDerWaalsContact O-CG2 3.25Å; I105-I201 WeakPolarHBondContact O-CG2 3.42Å
106K96.6Very high89.6Confident113 Ų11329.8 Ų29.849%0.49117%0.172SC..SBendtrans-113.7-24.2179.4-64.4170.8-176.6159.90112.7D55 I201 R202 L259D55-K106 PolarHBondContact O-N 3.09Å; D55-K106 IonicContact OD1-NZ 3.32Å; K106-I201 WeakPolarHBondContact O-CA 3.16Å; K106-R202 PolarHBondContact O-N 3.09Å; K106-L259 HydrophobicContact CB-CD1 3.78Å; K106-L259 HydrophobicContact CB-CD2 3.8Å; K106-L259 HydrophobicContact CB-CG 4.46Å; K106-L259 HydrophobicContact CD-CD1 3.54Å; K106-L259 HydrophobicContact CG-CD1 4.31Å
107A97.4Very high87.5Confident0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-143.1141.6175.100000112.9D55 V56 I57 I109 R202 L259D55-A107 PolarHBondContact O-N 3.42Å; V56-A107 WeakPolarHBondContact CA-O 3.37Å; V56-A107 HydrophobicContact CG1-CB 4.13Å; V56-A107 HydrophobicContact CG2-CB 4.19Å; I57-A107 PolarHBondContact N-O 2.8Å; A107-I109 HydrophobicContact CB-CD1 3.9Å; A107-R202 CarbonylContact C-O 3.52Å; A107-R202 VanDerWaalsContact CA-O 3.27Å; A107-R202 WeakPolarHBondContact CA-O 3.38Å; A107-R202 HydrophobicContact CB-CB 4.01Å; A107-L259 HydrophobicContact CB-CD2 3.81Å
108F97.6Very high85Confident0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-124.7109.2173.2-173.3-101000109I57 L96 V97 I105 N110 A193 I195 I201 R202 Q203 I204I57-F108 HydrophobicContact CB-CD2 3.86Å; I57-F108 HydrophobicContact CB-CE2 4.28Å; I57-F108 HydrophobicContact CD1-CD2 4.43Å; I57-F108 HydrophobicContact CG2-CD2 3.91Å; I57-F108 HydrophobicContact CG2-CE2 3.79Å; L96-F108 HydrophobicContact CB-CE2 3.81Å; L96-F108 HydrophobicContact CB-CZ 4.19Å; L96-F108 HydrophobicContact CD1-CE2 4.48Å; V97-F108 HydrophobicContact CG2-CE1 3.9Å; V97-F108 HydrophobicContact CG2-CZ 3.93Å; I105-F108 HydrophobicContact CD1-CB 4.24Å; F108-N110 HydrophobicContact CD1-CB 4.37Å; F108-N110 HydrophobicContact CE1-CB 3.8Å; F108-N110 HydrophobicContact CZ-CB 4.43Å; F108-A193 HydrophobicContact CE1-CB 4.26Å; F108-I195 HydrophobicContact CB-CD1 4.11Å; F108-I195 HydrophobicContact CD1-CD1 4.18Å; F108-I195 HydrophobicContact CD2-CD1 4.36Å; F108-I195 HydrophobicContact CG-CD1 3.96Å; F108-I201 HydrophobicContact CB-CD1 4.38Å; F108-R202 PolarHBondContact N-O 3.4Å; F108-Q203 WeakPolarHBondContact O-CA 3.5Å; F108-I204 PolarHBondContact O-N 2.68Å
109I97.4Very high82.2Confident0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-109.9117.9-179.3-57.295.1000108.1V56 I57 V58 N59 A107 I204 L206 V256 S257V56-I109 HydrophobicContact CG1-CD1 3.27Å; I57-I109 PolarHBondContact O-N 2.89Å; V58-I109 CarbonylContact C-O 3.58Å; V58-I109 VanDerWaalsContact CA-O 3.29Å; V58-I109 WeakPolarHBondContact CA-O 3.36Å; V58-I109 HydrophobicContact CG1-CB 4.34Å; V58-I109 HydrophobicContact CG1-CG2 4.36Å; V58-I109 HydrophobicContact CG2-CB 4.4Å; V58-I109 HydrophobicContact CG2-CD1 4.22Å; N59-I109 PolarHBondContact N-O 3.28Å; A107-I109 HydrophobicContact CB-CD1 3.9Å; I109-I204 HydrophobicContact CG1-CB 4.24Å; I109-I204 HydrophobicContact CG2-CB 4.27Å; I109-I204 HydrophobicContact CG2-CG2 4.33Å; I109-L206 HydrophobicContact CG2-CD1 3.42Å; I109-L206 VanDerWaalsContact CG2-CD1 3.42Å; I109-L206 HydrophobicContact CG2-CD2 3.97Å; I109-L206 HydrophobicContact CG2-CG 3.63Å; I109-V256 HydrophobicContact CG1-CG2 4.38Å; I109-V256 HydrophobicContact CG2-CG2 4.43Å; I109-S257 VanDerWaalsContact CD1-OG 3.26Å; I109-S257 WeakPolarHBondContact CD1-OG 3.39Å
110N96.2Very high79.2Confident0 Ų028.4 Ų28.40%017%0.166CC..EExtended strand (participates in β ladder)trans-118.5137.5-176.7-178.965.1000110.9N59 T93 F108 W189 A193 I204 Q205 L206N59-N110 PolarHBondContact ND2-OD1 3.46Å; T93-N110 PolarHBondContact OG1-OD1 2.71Å; F108-N110 HydrophobicContact CD1-CB 4.37Å; F108-N110 HydrophobicContact CE1-CB 3.8Å; F108-N110 HydrophobicContact CZ-CB 4.43Å; N110-W189 PolarHBondContact ND2-NE1 3.03Å; N110-A193 HydrophobicContact CB-CB 4.04Å; N110-A193 VanDerWaalsContact ND2-CB 3.34Å; N110-A193 WeakPolarHBondContact ND2-CB 3.43Å; N110-I204 PolarHBondContact N-O 2.99Å; N110-Q205 PolarHBondContact ND2-OE1 3.38Å; N110-Q205 WeakPolarHBondContact O-CA 3.36Å; N110-L206 PolarHBondContact O-N 2.81Å
111A93Very high76Confident13 Ų1329.4 Ų29.411%0.10717%0.172CC..EExtended strand (participates in β ladder)trans-64.8145.3173.400000111N59 L60 W189N59-A111 WeakPolarHBondContact O-CB 3.39Å; N59-A111 PolarHBondContact O-N 2.84Å; L60-A111 HydrophobicContact CD2-CB 4.1Å; A111-W189 VanDerWaalsContact C-CH2 3.48Å; A111-W189 HydrophobicContact CB-CH2 3.7Å; A111-W189 HydrophobicContact CB-CZ2 3.8Å; A111-W189 WeakPolarHBondContact O-CH2 3.34Å; A111-W189 WeakPolarHBondContact O-CZ2 3.5Å
112S89.8Confident72.9Confident5 Ų528.8 Ų28.84%0.03517%0.17CC..EExtended strand (participates in β ladder)trans-145.7-170.7170.7-176.80000108V186 E190 L206 T208S112-V186 WeakPolarHBondContact OG-CG1 3.33Å; S112-E190 WeakPolarHBondContact CB-OE1 3.44Å; S112-E190 PolarHBondContact OG-OE1 3.29Å; S112-L206 CarbonylContact C-O 3.55Å; S112-L206 VanDerWaalsContact CA-O 3.31Å; S112-L206 WeakPolarHBondContact CA-O 3.28Å; S112-L206 PolarHBondContact N-O 3.34Å; S112-T208 PolarHBondContact O-N 3.35Å; S112-T208 PolarHBondContact O-OG1 3.5Å
113A83.3Confident70.4Confident18 Ų1824.2 Ų24.215%0.14914%0.137CC..EExtended strand (participates in β ladder)trans-139.6141.4178.100000111.3G115 V186A113-G115 PolarHBondContact O-N 2.93Å; A113-V186 HydrophobicContact CB-CG2 4.48Å
114V75.8Confident67.7Low2 Ų226.3 Ų26.31%0.01214%0.144CC..SBendtrans-67.7-27.7170-59.50000111.6F161 Y162 R207 T208 T271 V324V114-F161 PolarHBondContact O-N 2.87Å; V114-F161 VanDerWaalsContact O-N 3.11Å; V114-Y162 HydrophobicContact CB-CD2 4.17Å; V114-Y162 HydrophobicContact CB-CE2 4.04Å; V114-Y162 HydrophobicContact CG1-CE2 4.24Å; V114-Y162 PolarHBondContact O-N 3.49Å; V114-R207 HydrophobicContact CG1-CB 3.82Å; V114-R207 WeakPolarHBondContact CG1-O 3.5Å; V114-T208 PolarHBondContact N-O 2.97Å; V114-T208 VanDerWaalsContact N-O 3.14Å; V114-T271 HydrophobicContact CG1-CG2 3.81Å; V114-V324 HydrophobicContact CB-CG1 4.42Å; V114-V324 HydrophobicContact CB-CG2 4.1Å; V114-V324 HydrophobicContact CG1-CB 4.4Å; V114-V324 HydrophobicContact CG1-CG1 3.89Å; V114-V324 HydrophobicContact CG1-CG2 4.44Å; V114-V324 HydrophobicContact CG2-CG2 4.44Å
115G63.3Low65Low12 Ų1227.1 Ų27.112%0.12414%0.14CC..  trans166.6-177.4-179.400000112.3A113A113-G115 PolarHBondContact O-N 2.93Å
116F53Low62.2Low16 Ų1630.2 Ų30.27%0.0715%0.153CC..  trans-97.5112.7176.2-83.7-89.4000111.2I65 V118 I182 L317I65-F116 HydrophobicContact CB-CE1 3.56Å; I65-F116 HydrophobicContact CB-CZ 4.18Å; I65-F116 HydrophobicContact CD1-CE1 3.71Å; I65-F116 HydrophobicContact CD1-CZ 3.56Å; I65-F116 HydrophobicContact CG1-CE1 4.06Å; I65-F116 HydrophobicContact CG1-CZ 4.18Å; I65-F116 HydrophobicContact CG2-CD1 4.02Å; I65-F116 HydrophobicContact CG2-CE1 3.1Å; I65-F116 HydrophobicContact CG2-CZ 3.73Å; F116-V118 HydrophobicContact CD1-CG2 4.37Å; F116-I182 HydrophobicContact CD2-CB 3.84Å; F116-I182 HydrophobicContact CD2-CD1 3.53Å; F116-I182 HydrophobicContact CD2-CG1 3.41Å; F116-I182 VanDerWaalsContact CD2-CG1 3.41Å; F116-I182 HydrophobicContact CD2-CG2 3.13Å; F116-I182 HydrophobicContact CE1-CD1 4.36Å; F116-I182 HydrophobicContact CE2-CB 3.98Å; F116-I182 HydrophobicContact CE2-CD1 3.09Å; F116-I182 HydrophobicContact CE2-CG1 3.54Å; F116-I182 HydrophobicContact CE2-CG2 3.42Å; F116-I182 VanDerWaalsContact CE2-CG2 3.42Å; F116-I182 HydrophobicContact CG-CD1 4.21Å; F116-I182 HydrophobicContact CG-CG1 4.08Å; F116-I182 HydrophobicContact CG-CG2 4.29Å; F116-I182 HydrophobicContact CZ-CD1 3.53Å; F116-I182 HydrophobicContact CZ-CG1 4.36Å; F116-L317 HydrophobicContact CB-CD2 3.29Å; F116-L317 HydrophobicContact CD1-CD2 3.96Å; F116-L317 HydrophobicContact CG-CD2 3.7Å
117Q50.9Low59.4Low33 Ų3331.1 Ų31.115%0.15416%0.163CC..  trans-129102.9160.2-66.5-173.2-57.300107.9V210 W240 L317 D320Q117-V210 HydrophobicContact CB-CG2 3.74Å; Q117-V210 WeakPolarHBondContact O-CG2 3.3Å; Q117-W240 PolarHBondContact NE2-O 2.96Å; Q117-L317 CarbonylContact C-O 3.49Å; Q117-L317 VanDerWaalsContact CA-O 3.24Å; Q117-L317 WeakPolarHBondContact CA-O 3.41Å; Q117-D320 PolarHBondContact NE2-O 3.47Å
118V43.1Very low56.3Low33 Ų3340.8 Ų40.820%0.221%0.206CC..  trans-108.1115.8174.1-178.70000106.8F116 A120 L317 V318F116-V118 HydrophobicContact CD1-CG2 4.37Å; V118-A120 PolarHBondContact O-N 2.56Å; V118-L317 PolarHBondContact N-O 3.06Å; V118-V318 WeakPolarHBondContact O-CG2 3.3Å
119M37.1Very low53.3Low29 Ų2946.2 Ų46.214%0.14324%0.238CC..  trans-65.1119.2178.1-147.393.672.500110.4C121 F218 I234 M241 F281M119-C121 PolarHBondContact O-N 3.27Å; M119-C121 VanDerWaalsContact O-N 3.15Å; M119-F218 HydrophobicContact CB-CD2 3.42Å; M119-F218 VanDerWaalsContact CB-CD2 3.42Å; M119-F218 HydrophobicContact CB-CE2 3.2Å; M119-F218 HydrophobicContact CB-CG 4.39Å; M119-F218 HydrophobicContact CB-CZ 4Å; M119-F218 HydrophobicContact CE-CD1 4.36Å; M119-F218 HydrophobicContact CE-CD2 4.42Å; M119-F218 HydrophobicContact CE-CE1 3.49Å; M119-F218 VanDerWaalsContact CE-CE1 3.49Å; M119-F218 HydrophobicContact CE-CE2 3.61Å; M119-F218 HydrophobicContact CE-CZ 3.08Å; M119-F218 HydrophobicContact CG-CD2 4.06Å; M119-F218 HydrophobicContact CG-CE2 3.29Å; M119-F218 HydrophobicContact CG-CZ 3.78Å; M119-F218 HydrophobicContact SD-CE2 4.3Å; M119-F218 HydrophobicContact SD-CZ 4.23Å; M119-I234 HydrophobicContact CG-CD1 4.47Å; M119-M241 HydrophobicContact CE-CE 3.57Å; M119-M241 HydrophobicContact CE-SD 4.05Å; M119-F281 HydrophobicContact CE-CD1 3.83Å; M119-F281 HydrophobicContact CE-CE1 3.1Å; M119-F281 HydrophobicContact CE-CE2 4.44Å; M119-F281 HydrophobicContact CE-CZ 3.47Å; M119-F281 VanDerWaalsContact CE-CZ 3.47Å; M119-F281 HydrophobicContact SD-CD1 4.46Å; M119-F281 HydrophobicContact SD-CE1 4.16Å
120A32.1Very low50.3Low12 Ų1250.7 Ų50.710%0.09926%0.261CS..  trans-84.879.317300000110.8V118 V123 F306 L310 V318V118-A120 PolarHBondContact O-N 2.56Å; A120-V123 HydrophobicContact CB-CG2 4.22Å; A120-F306 HydrophobicContact CB-CD1 3.72Å; A120-F306 HydrophobicContact CB-CE1 3.43Å; A120-F306 VanDerWaalsContact CB-CE1 3.43Å; A120-L310 HydrophobicContact CB-CD1 4.37Å; A120-V318 HydrophobicContact CB-CB 4.43Å; A120-V318 HydrophobicContact CB-CG1 3.82Å; A120-V318 HydrophobicContact CB-CG2 3.73Å
121C29.7Very low47.2Very low21 Ų2158.7 Ų58.714%0.14230%0.304CS..  trans-88.43.8170.6-79.20000114.2M119 T221 V222 V225M119-C121 PolarHBondContact O-N 3.27Å; M119-C121 VanDerWaalsContact O-N 3.15Å; C121-T221 HydrophobicContact CB-CG2 4.03Å; C121-V222 HydrophobicContact CB-CG2 4.11Å; C121-V222 VanDerWaalsContact SG-CG2 3.52Å; C121-V225 HydrophobicContact CB-CG2 4.5Å
122F28.9Very low44.6Very low81 Ų8163.3 Ų63.336%0.35533%0.326SS..SBendtrans-90.4-11.1-179.3-101.7-82.7000115V68 F124 F126 T221V68-F122 HydrophobicContact CB-CD2 4.18Å; V68-F122 HydrophobicContact CG1-CB 4.11Å; V68-F122 HydrophobicContact CG1-CD2 4.22Å; V68-F122 HydrophobicContact CG1-CG 4.17Å; V68-F122 HydrophobicContact CG2-CD2 4.45Å; F122-F124 PolarHBondContact O-N 2.99Å; F122-F126 HydrophobicContact CD1-CE2 4.47Å; F122-T221 HydrophobicContact CD2-CG2 3.54Å; F122-T221 HydrophobicContact CE2-CG2 3.37Å; F122-T221 HydrophobicContact CG-CG2 4.41Å; F122-T221 HydrophobicContact CZ-CG2 4.12Å
123V36.2Very low41.9Very low16 Ų1667.3 Ų67.310%0.09735%0.352CS..G310 helixtrans-70.3-33.5-164158.10000114A120 F306 L309A120-V123 HydrophobicContact CB-CG2 4.22Å; V123-F306 HydrophobicContact CB-CE1 4.34Å; V123-F306 HydrophobicContact CG2-CD1 4.02Å; V123-F306 HydrophobicContact CG2-CE1 3.88Å; V123-L309 HydrophobicContact CB-CD1 3.71Å; V123-L309 HydrophobicContact CG1-CD1 3.11Å; V123-L309 HydrophobicContact CG2-CB 4.48Å; V123-L309 HydrophobicContact CG2-CD1 3.54Å
124F35.6Very low39.6Very low57 Ų5778.6 Ų78.625%0.2539%0.39CS..G310 helixtrans-82.6-18.9-172.3-85-86.7000115.7F122 F126 F230 I301 L305F122-F124 PolarHBondContact O-N 2.99Å; F124-F126 PolarHBondContact O-N 3.37Å; F124-F230 HydrophobicContact CB-CB 4.42Å; F124-F230 HydrophobicContact CB-CD1 4.09Å; F124-F230 HydrophobicContact CB-CD2 3.66Å; F124-F230 HydrophobicContact CB-CE1 4.26Å; F124-F230 HydrophobicContact CB-CE2 3.86Å; F124-F230 HydrophobicContact CB-CG 3.81Å; F124-F230 HydrophobicContact CB-CZ 4.16Å; F124-F230 AromaticContact CD1-CD1 3.61Å; F124-F230 HydrophobicContact CD1-CD1 3.61Å; F124-F230 AromaticContact CD1-CE1 3.31Å; F124-F230 HydrophobicContact CD1-CE1 3.31Å; F124-F230 HydrophobicContact CD1-CE2 4.27Å; F124-F230 HydrophobicContact CD1-CG 4.22Å; F124-F230 AromaticContact CD1-CZ 3.7Å; F124-F230 HydrophobicContact CD1-CZ 3.7Å; F124-F230 HydrophobicContact CD2-CD1 4.11Å; F124-F230 HydrophobicContact CD2-CG 4.31Å; F124-F230 HydrophobicContact CE1-CD1 4.05Å; F124-F230 AromaticContact CE1-CE1 3.76Å; F124-F230 HydrophobicContact CE1-CE1 3.76Å; F124-F230 HydrophobicContact CE1-CZ 4.49Å; F124-F230 HydrophobicContact CG-CB 4.45Å; F124-F230 AromaticContact CG-CD1 3.62Å; F124-F230 HydrophobicContact CG-CD1 3.62Å; F124-F230 HydrophobicContact CG-CD2 4.14Å; F124-F230 AromaticContact CG-CE1 3.8Å; F124-F230 HydrophobicContact CG-CE1 3.8Å; F124-F230 HydrophobicContact CG-CE2 4.3Å; F124-F230 AromaticContact CG-CG 3.83Å; F124-F230 HydrophobicContact CG-CG 3.83Å; F124-F230 HydrophobicContact CG-CZ 4.16Å; F124-F230 HydrophobicContact CZ-CD1 4.48Å; F124-I301 HydrophobicContact CD2-CD1 4.19Å; F124-I301 HydrophobicContact CE2-CB 4.13Å; F124-I301 HydrophobicContact CE2-CD1 3.49Å; F124-I301 VanDerWaalsContact CE2-CD1 3.49Å; F124-I301 HydrophobicContact CE2-CG1 3.47Å; F124-I301 VanDerWaalsContact CE2-CG1 3.47Å; F124-I301 HydrophobicContact CE2-CG2 3.54Å; F124-I301 HydrophobicContact CZ-CB 4.38Å; F124-I301 HydrophobicContact CZ-CD1 4.37Å; F124-I301 HydrophobicContact CZ-CG1 3.87Å; F124-I301 HydrophobicContact CZ-CG2 3.81Å; F124-L305 HydrophobicContact CZ-CD1 4.32Å
125Q32.6Very low37.7Very low105 Ų10586.5 Ų86.549%0.49143%0.427SS..G310 helixtrans-74.9-14.4-178.2-146.2158.6-0.100112.6
126F36Very low36.3Very low68 Ų6892.4 Ų92.430%0.29846%0.456SS..G310 helixtrans-97.3-12.1-171.1-88.5-80.3000116.2L70 F122 F124 K128 V129 I130L70-F126 HydrophobicContact CD1-CE1 4.48Å; L70-F126 HydrophobicContact CD1-CZ 4.06Å; L70-F126 HydrophobicContact CD2-CE1 4.13Å; L70-F126 HydrophobicContact CD2-CE2 4.22Å; L70-F126 HydrophobicContact CD2-CZ 3.72Å; L70-F126 HydrophobicContact CG-CZ 4.42Å; F122-F126 HydrophobicContact CD1-CE2 4.47Å; F124-F126 PolarHBondContact O-N 3.37Å; F126-K128 PolarHBondContact O-N 3.46Å; F126-V129 PolarHBondContact O-N 3.02Å; F126-I130 HydrophobicContact CD1-CD1 3.48Å; F126-I130 VanDerWaalsContact CD1-CD1 3.48Å; F126-I130 HydrophobicContact CD1-CG1 3.99Å; F126-I130 HydrophobicContact CE1-CD1 3.67Å; F126-I130 HydrophobicContact CE1-CG1 4.43Å
127N38.7Very low35.3Very low132 Ų132100.6 Ų100.671%0.70650%0.495SS*.THydrogen-bonded Turntrans-69.9-0.7-180-106.7-21.5000114.4
128K32.4Very low34.4Very low204 Ų204104 Ų10489%0.88752%0.517SS*.THydrogen-bonded Turntrans-103.9-2.6172.7-80.8-166.2173.9-174.80115.2F126F126-K128 PolarHBondContact O-N 3.46Å
129V34.1Very low33.5Very low113 Ų113114.1 Ų114.169%0.68555%0.552SS**THydrogen-bonded Turntrans-131.7-12.4-165.2-174.90000116.6F126F126-V129 PolarHBondContact O-N 3.02Å
130I34.9Very low33.1Very low95 Ų95116.7 Ų116.749%0.48757%0.572SS.*  trans-132105.3-173.3-43.5-176.1000114.4F126 I132F126-I130 HydrophobicContact CD1-CD1 3.48Å; F126-I130 VanDerWaalsContact CD1-CD1 3.48Å; F126-I130 HydrophobicContact CD1-CG1 3.99Å; F126-I130 HydrophobicContact CE1-CD1 3.67Å; F126-I130 HydrophobicContact CE1-CG1 4.43Å; I130-I132 HydrophobicContact CB-CG1 4.26Å; I130-I132 HydrophobicContact CG2-CD1 4.14Å; I130-I132 HydrophobicContact CG2-CG1 3.34Å; I130-I132 PolarHBondContact O-N 3.06Å
131N30.5Very low32.8Very low168 Ų168123.4 Ų123.490%0.89861%0.606SS**  trans-70.7103.3150.9-105.7-25.5000107.8P133N131-P133 WeakPolarHBondContact O-CD 3.5Å
132I39.2Very low32.9Very low110 Ų110128.5 Ų128.556%0.56463%0.631SS**  trans-93116170.8-56.8179.5000108I130I130-I132 HydrophobicContact CB-CG1 4.26Å; I130-I132 HydrophobicContact CG2-CD1 4.14Å; I130-I132 HydrophobicContact CG2-CG1 3.34Å; I130-I132 PolarHBondContact O-N 3.06Å
133P31.9Very low33Very low88 Ų88132.9 Ų132.957%0.57165%0.652SS**  trans-63.5143.1176.4-18.130.7000111.7N131 E135N131-P133 WeakPolarHBondContact O-CD 3.5Å; P133-E135 PolarHBondContact O-N 3.3Å
134R35.8Very low32.9Very low255 Ų255137 Ų13796%0.96268%0.681SS**THydrogen-bonded Turntrans-70.38.5-179.4-73.4-172.5-179.7-174.11.3114.7
135E35.6Very low32.9Very low169 Ų169138 Ų13879%0.7969%0.689SS**THydrogen-bonded Turntrans-107.92.5-162.7-61.3-177.5-156.300115.1P133 Q137P133-E135 PolarHBondContact O-N 3.3Å; E135-Q137 PolarHBondContact O-N 2.81Å
136N34.5Very low33Very low136 Ų136137.5 Ų137.573%0.72770%0.697SS**  trans-81.930.9178.5-79.5-11.1000115V138N136-V138 PolarHBondContact O-N 2.81Å
137Q31.9Very low32.9Very low188 Ų188145.3 Ų145.388%0.87972%0.724SS**  trans-76.668.2159-86.6-176.5-9.900109.5E135 R139E135-Q137 PolarHBondContact O-N 2.81Å; Q137-R139 PolarHBondContact O-N 2.83Å
138V32Very low32.8Very low104 Ų104142.7 Ų142.763%0.6371%0.71SS**  trans-77.2110.1173.1-178.10000108.4N136 C140N136-V138 PolarHBondContact O-N 2.81Å; V138-C140 VanDerWaalsContact C-N 3.35Å; V138-C140 PolarHBondContact O-N 3.31Å
139R24Very low33.2Very low245 Ų245138.2 Ų138.293%0.92570%0.702SS**  trans-55.895.4159.8-92.8174.9161.1169.8-5.3108.5Q137Q137-R139 PolarHBondContact O-N 2.83Å
140C28.5Very low33.6Very low84 Ų84138.6 Ų138.657%0.56869%0.692SS**  trans-94.1123164.7-86.70000109.8V138 I142V138-C140 VanDerWaalsContact C-N 3.35Å; V138-C140 PolarHBondContact O-N 3.31Å; C140-I142 PolarHBondContact O-N 3.18Å
141N25.1Very low33.5Very low153 Ų153141.9 Ų141.982%0.81870%0.702SS**  trans-59117.2178-77.5-36.7000111.1H143N141-H143 PolarHBondContact O-N 2.63Å
142I33.7Very low34Very low128 Ų128135.8 Ų135.866%0.65667%0.671SS**G310 helixtrans-67.412.6-176.9-75.8165.8000114.2C140 S144C140-I142 PolarHBondContact O-N 3.18Å; I142-S144 PolarHBondContact O-N 3.34Å
143H30.7Very low33.9Very low172 Ų172136.7 Ų136.780%0.79668%0.677SS**G310 helixtrans-80.2-15.6-168.9-124.558.2000115.8N141 S146N141-H143 PolarHBondContact O-N 2.63Å; H143-S146 PolarHBondContact O-OG 3.05Å
144S32.9Very low34.2Very low103 Ų103138.4 Ų138.472%0.7268%0.678SS**G310 helixtrans-96.6-10179.859.80000115.1I142I142-S144 PolarHBondContact O-N 3.34Å
145L36.6Very low34.4Very low79 Ų79128.5 Ų128.541%0.41464%0.641SS.*SBendtrans-93.3-0.5179.9-70.2167.4000113.6R147 L148 T152L145-R147 PolarHBondContact O-N 3.14Å; L145-R147 VanDerWaalsContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 4.22Å; L145-L148 PolarHBondContact O-N 3.33Å; L145-T152 HydrophobicContact CD1-CG2 4.3Å
146S33.4Very low34.5Very low93 Ų93124.5 Ų124.565%0.6562%0.624SS**THydrogen-bonded Turntrans-69.4-3179.755.60000115.1H143H143-S146 PolarHBondContact O-OG 3.05Å
147R34.5Very low34.5Very low233 Ų233119.6 Ų119.688%0.87960%0.603SS**THydrogen-bonded Turntrans-95.3-3.5177.4-66.7-172.6-173.2-172.62.5114.2L145L145-R147 PolarHBondContact O-N 3.14Å; L145-R147 VanDerWaalsContact O-N 3.15Å
148L36.7Very low35.1Very low76 Ų76111 Ų11140%0.39856%0.562SS.*SBendtrans-88.7134.6172.7-68170.2000109.1L145 Y150L145-L148 HydrophobicContact CD2-CD1 4.22Å; L145-L148 PolarHBondContact O-N 3.33Å; L148-Y150 PolarHBondContact O-N 3.4Å
149P41.1Very low35.8Very low110 Ų110108.4 Ų108.471%0.71454%0.543SS*.SBendtrans-68.75.6-179.524.4-29.9000114.2
150Y41.9Very low37Very low121 Ų12196.8 Ų96.848%0.47550%0.499SS..SBendtrans-122.2128.2-173.8-57.7-72.2000111.4L148 T152L148-Y150 PolarHBondContact O-N 3.4Å; Y150-T152 PolarHBondContact O-N 3.08Å
151K34Very low38.3Very low164 Ų16492.9 Ų92.971%0.71347%0.473SS*.  trans-65125.7176.5-77.8-178.1176179.50109.9D153 Q154K151-D153 PolarHBondContact O-N 3.49Å; K151-Q154 PolarHBondContact O-N 3.18Å; K151-Q154 VanDerWaalsContact O-N 3.13Å
152T39.5Very low40.2Very low41 Ų4185.6 Ų85.625%0.25243%0.434SS..G310 helixtrans-57-16.2-178.940.40000115.6L145 Y150 Y155L145-T152 HydrophobicContact CD1-CG2 4.3Å; Y150-T152 PolarHBondContact O-N 3.08Å; T152-Y155 WeakPolarHBondContact O-CD2 3.36Å
153D38.4Very low41.6Very low129 Ų12980.5 Ų80.569%0.6941%0.409SS*.G310 helixtrans-84.4-11.8-179.3-57.8-28.4000113.3K151 Y155K151-D153 PolarHBondContact O-N 3.49Å; D153-Y155 PolarHBondContact O-N 3.37Å
154Q37.4Very low43.4Very low123 Ų12373.8 Ų73.858%0.57538%0.381SS*.G310 helixtrans-77.9-3.7179.4-76-178.9-36.300114.4K151 L156K151-Q154 PolarHBondContact O-N 3.18Å; K151-Q154 VanDerWaalsContact O-N 3.13Å; Q154-L156 VanDerWaalsContact C-N 3.34Å; Q154-L156 PolarHBondContact O-N 2.98Å
155Y39.8Very low45.4Very low47 Ų4771.8 Ų71.818%0.18436%0.362CS..G310 helixtrans-86.34.5-174.5-69.8-92.4000114.3Y79 I82 T152 D153 Y158 F181Y79-Y155 HydrophobicContact CE1-CG 4.37Å; I82-Y155 HydrophobicContact CG2-CD1 4.4Å; I82-Y155 HydrophobicContact CG2-CE1 4.29Å; T152-Y155 WeakPolarHBondContact O-CD2 3.36Å; D153-Y155 PolarHBondContact O-N 3.37Å; Y155-Y158 WeakPolarHBondContact O-CE2 3.49Å; Y155-Y158 PolarHBondContact O-OH 3.11Å; Y155-Y158 VanDerWaalsContact O-OH 3.12Å; Y155-F181 AromaticContact CD1-CD2 3.61Å; Y155-F181 HydrophobicContact CD1-CD2 3.61Å; Y155-F181 HydrophobicContact CD1-CE1 4.38Å; Y155-F181 AromaticContact CD1-CE2 3.11Å; Y155-F181 HydrophobicContact CD1-CE2 3.11Å; Y155-F181 HydrophobicContact CD1-CG 4.42Å; Y155-F181 AromaticContact CD1-CZ 3.51Å; Y155-F181 HydrophobicContact CD1-CZ 3.51Å; Y155-F181 HydrophobicContact CE1-CD2 4.05Å; Y155-F181 AromaticContact CE1-CE2 3.18Å; Y155-F181 HydrophobicContact CE1-CE2 3.18Å; Y155-F181 AromaticContact CE1-CZ 3.62Å; Y155-F181 HydrophobicContact CE1-CZ 3.62Å; Y155-F181 HydrophobicContact CG-CD2 4.21Å; Y155-F181 HydrophobicContact CG-CE2 4.1Å
156L37.8Very low47.4Very low86 Ų8672.3 Ų72.345%0.4537%0.365SS..SBendtrans-104.823.4-159.2-63.1170.5000116.1Q154 D313Q154-L156 VanDerWaalsContact C-N 3.34Å; Q154-L156 PolarHBondContact O-N 2.98Å; L156-D313 VanDerWaalsContact C-CG 3.43Å; L156-D313 WeakPolarHBondContact CA-OD2 3.46Å; L156-D313 WeakPolarHBondContact CB-OD2 3.44Å; L156-D313 WeakPolarHBondContact CD2-OD2 3.35Å; L156-D313 WeakPolarHBondContact O-CB 3.42Å
157A34.8Very low49.8Very low33 Ų3376.1 Ų76.127%0.27337%0.372SS..  trans-157.1135.8165.300000110.7N180 F181A157-N180 WeakPolarHBondContact CB-OD1 3.02Å; A157-N180 WeakPolarHBondContact O-CB 3.49Å; A157-F181 WeakPolarHBondContact O-CB 3.21Å; A157-F181 PolarHBondContact O-N 3.5Å
158Y45Very low52.2Low7 Ų767.8 Ų67.83%0.02735%0.347CS..  trans-124.9105.6-170.9-63.1-110.7000109.9Y78 I82 Y155 F181 I182 D313 T316 L317Y78-Y158 VanDerWaalsContact OH-CZ 3.28Å; Y78-Y158 PolarHBondContact OH-OH 2.98Å; I82-Y158 HydrophobicContact CD1-CE1 4.48Å; Y155-Y158 WeakPolarHBondContact O-CE2 3.49Å; Y155-Y158 PolarHBondContact O-OH 3.11Å; Y155-Y158 VanDerWaalsContact O-OH 3.12Å; Y158-F181 AromaticContact CD1-CD1 3.81Å; Y158-F181 HydrophobicContact CD1-CD1 3.81Å; Y158-F181 AromaticContact CE1-CD1 3.16Å; Y158-F181 HydrophobicContact CE1-CD1 3.16Å; Y158-F181 AromaticContact CE1-CE1 3.59Å; Y158-F181 HydrophobicContact CE1-CE1 3.59Å; Y158-F181 HydrophobicContact CE1-CG 4.18Å; Y158-F181 AromaticContact CZ-CD1 3.62Å; Y158-I182 HydrophobicContact CD1-CD1 3.42Å; Y158-I182 VanDerWaalsContact CD1-CD1 3.42Å; Y158-I182 HydrophobicContact CD1-CG1 3.28Å; Y158-I182 HydrophobicContact CE1-CD1 3.92Å; Y158-I182 HydrophobicContact CE1-CG1 4.21Å; Y158-I182 HydrophobicContact CG-CD1 4.48Å; Y158-I182 HydrophobicContact CG-CG1 3.89Å; Y158-D313 HydrophobicContact CD2-CB 3.9Å; Y158-D313 VanDerWaalsContact CD2-O 3.24Å; Y158-D313 WeakPolarHBondContact CD2-O 3.47Å; Y158-D313 HydrophobicContact CE2-CB 4.04Å; Y158-T316 WeakPolarHBondContact O-CB 2.97Å; Y158-T316 PolarHBondContact O-OG1 3.16Å; Y158-L317 HydrophobicContact CD1-CD2 4.2Å; Y158-L317 HydrophobicContact CG-CD2 4.16Å
159Q46.7Very low54.7Low50 Ų5067.2 Ų67.223%0.23435%0.347CS..  trans-135.7148.7167.5-67.9176.9-8.900108.2P164 N180 I182 T183 D320Q159-P164 HydrophobicContact CB-CG 4.43Å; Q159-P164 HydrophobicContact CG-CG 3.85Å; Q159-P164 VanDerWaalsContact OE1-CD 3.24Å; Q159-N180 HydrophobicContact CB-CB 4.46Å; Q159-N180 WeakPolarHBondContact CB-ND2 3.34Å; Q159-N180 VanDerWaalsContact CG-ND2 3.34Å; Q159-N180 WeakPolarHBondContact CG-ND2 3.4Å; Q159-N180 PolarHBondContact OE1-ND2 3.14Å; Q159-I182 VanDerWaalsContact O-CB 3.28Å; Q159-I182 WeakPolarHBondContact O-CB 3.05Å; Q159-I182 WeakPolarHBondContact O-CG2 3.36Å; Q159-T183 PolarHBondContact O-N 3.06Å; Q159-T183 PolarHBondContact O-OG1 2.64Å; Q159-D320 PolarHBondContact NE2-OD2 3.04Å
160G48.5Very low57.1Low0 Ų063.4 Ų63.40%032%0.319CS..  trans-62.2-168.6-171.400000117.4Y162 T183G160-Y162 PolarHBondContact O-N 3.4Å; G160-T183 PolarHBondContact O-OG1 2.85Å
161F55.4Low59.4Low2 Ų259.4 Ų59.41%0.00931%0.305CS..SBendtrans-59.9-41.4170.2-173.7-84.9000110.4V114 P176 V186 N187V114-F161 PolarHBondContact O-N 2.87Å; V114-F161 VanDerWaalsContact O-N 3.11Å; F161-P176 HydrophobicContact CE1-CB 4.25Å; F161-P176 HydrophobicContact CE2-CB 3.65Å; F161-P176 HydrophobicContact CE2-CG 4.48Å; F161-P176 VanDerWaalsContact CZ-CA 3.48Å; F161-P176 HydrophobicContact CZ-CB 3.44Å; F161-P176 VanDerWaalsContact CZ-CB 3.44Å; F161-P176 HydrophobicContact CZ-CG 4.04Å; F161-V186 HydrophobicContact CB-CG1 4.21Å; F161-V186 HydrophobicContact CD2-CG1 3.79Å; F161-V186 HydrophobicContact CG-CG1 4.45Å; F161-N187 WeakPolarHBondContact CD2-OD1 3.33Å; F161-N187 VanDerWaalsContact CE2-OD1 3.25Å; F161-N187 WeakPolarHBondContact CE2-OD1 3.31Å
162Y64.4Low62.1Low1 Ų152.4 Ų52.40%0.00428%0.275CS..SBendtrans-95.1134.6171-44.4-70.7000110.7V114 G160 Y170 D171 A174 R207 N269 Q322 V324V114-Y162 HydrophobicContact CB-CD2 4.17Å; V114-Y162 HydrophobicContact CB-CE2 4.04Å; V114-Y162 HydrophobicContact CG1-CE2 4.24Å; V114-Y162 PolarHBondContact O-N 3.49Å; G160-Y162 PolarHBondContact O-N 3.4Å; Y162-Y170 AromaticContact CD1-CD1 3.78Å; Y162-Y170 HydrophobicContact CD1-CD1 3.78Å; Y162-Y170 AromaticContact CD1-CG 3.72Å; Y162-Y170 HydrophobicContact CD1-CG 3.72Å; Y162-Y170 HydrophobicContact CD2-CG 4.48Å; Y162-Y170 HydrophobicContact CG-CD1 4.1Å; Y162-Y170 HydrophobicContact CG-CD2 4.08Å; Y162-Y170 AromaticContact CG-CG 3.66Å; Y162-Y170 HydrophobicContact CG-CG 3.66Å; Y162-D171 PolarHBondContact OH-O 3.1Å; Y162-A174 HydrophobicContact CD1-CB 4.04Å; Y162-A174 HydrophobicContact CE1-CB 3.89Å; Y162-R207 PolarHBondContact OH-NH1 2.99Å; Y162-N269 PolarHBondContact OH-ND2 3.03Å; Y162-N269 PolarHBondContact OH-OD1 2.77Å; Y162-Q322 WeakPolarHBondContact O-CG 3.29Å; Y162-Q322 PolarHBondContact O-NE2 2.97Å; Y162-V324 HydrophobicContact CD2-CG1 4.23Å; Y162-V324 HydrophobicContact CD2-CG2 3.49Å; Y162-V324 VanDerWaalsContact CD2-CG2 3.49Å; Y162-V324 HydrophobicContact CE2-CB 4.43Å; Y162-V324 HydrophobicContact CE2-CG1 3.68Å; Y162-V324 HydrophobicContact CE2-CG2 3.84Å; Y162-V324 HydrophobicContact CG-CG2 4.42Å
163P63.8Low64.5Low20 Ų2055.2 Ų55.213%0.1330%0.296CS..PPolyproline II helixtrans-67.4142.117620.1-22.5000110.4D165 Y170P163-D165 PolarHBondContact O-N 3Å; P163-Y170 HydrophobicContact CG-CE1 4.36Å; P163-Y170 WeakPolarHBondContact CG-OH 3.43Å; P163-Y170 WeakPolarHBondContact O-CE2 3.19Å; P163-Y170 VanDerWaalsContact O-CZ 3.23Å; P163-Y170 PolarHBondContact O-OH 2.85Å
164P68.7Low66.7Low31 Ų3150 Ų5020%0.20127%0.271CS..PPolyproline II helixtrans-66.7128.417729.7-34.7000110Q159 D320 G321Q159-P164 HydrophobicContact CB-CG 4.43Å; Q159-P164 HydrophobicContact CG-CG 3.85Å; Q159-P164 VanDerWaalsContact OE1-CD 3.24Å; P164-D320 HydrophobicContact CB-CB 3.67Å; P164-D320 HydrophobicContact CG-CB 3.8Å; P164-G321 VanDerWaalsContact CA-O 3.25Å; P164-G321 WeakPolarHBondContact CA-O 3.4Å; P164-G321 WeakPolarHBondContact CB-O 3.17Å
165D75.8Confident68.4Low61 Ų6148.3 Ų48.333%0.32627%0.271SS..  trans-151.2141.5174.9-175.470.6000109P163 Q167 T168P163-D165 PolarHBondContact O-N 3Å; D165-Q167 VanDerWaalsContact C-N 3.33Å; D165-Q167 WeakPolarHBondContact OD2-CA 3.5Å; D165-Q167 PolarHBondContact OD2-N 3.46Å; D165-T168 VanDerWaalsContact CG-OG1 3.32Å; D165-T168 VanDerWaalsContact OD2-CB 3.28Å; D165-T168 WeakPolarHBondContact OD2-CB 3.44Å; D165-T168 PolarHBondContact OD2-N 3.46Å; D165-T168 PolarHBondContact OD2-OG1 3.11Å
166L78.4Confident69.6Low91 Ų9149.6 Ų49.648%0.47629%0.285SS..SBendtrans-79.8-16.7-175.3-64.2-179.1000112.9R238 W240L166-R238 HydrophobicContact CD1-CB 4.48Å; L166-R238 HydrophobicContact CD2-CB 4.22Å; L166-R238 WeakPolarHBondContact CD2-O 3.36Å; L166-W240 PolarHBondContact O-NE1 2.88Å
167Q83.5Confident70.8Confident172 Ų17253.3 Ų53.380%0.80429%0.293SS*.SBendtrans-112.1-33.5-174.4-58.8-174900112.3D165D165-Q167 VanDerWaalsContact C-N 3.33Å; D165-Q167 WeakPolarHBondContact OD2-CA 3.5Å; D165-Q167 PolarHBondContact OD2-N 3.46Å
168T85.4Confident72Confident58 Ų5857.6 Ų57.636%0.35631%0.312SS..  trans-75.6131-172.9-53.40000110.4D165 Y170D165-T168 VanDerWaalsContact CG-OG1 3.32Å; D165-T168 VanDerWaalsContact OD2-CB 3.28Å; D165-T168 WeakPolarHBondContact OD2-CB 3.44Å; D165-T168 PolarHBondContact OD2-N 3.46Å; D165-T168 PolarHBondContact OD2-OG1 3.11Å; T168-Y170 HydrophobicContact CG2-CD1 4.07Å; T168-Y170 HydrophobicContact CG2-CD2 4.43Å; T168-Y170 HydrophobicContact CG2-CE1 3.53Å; T168-Y170 HydrophobicContact CG2-CE2 3.95Å; T168-Y170 HydrophobicContact CG2-CG 4.49Å; T168-Y170 VanDerWaalsContact CG2-CZ 3.47Å
169T89.2Confident72.4Confident65 Ų6559.2 Ų59.240%0.39932%0.324SS..EExtended strand (participates in β ladder)trans-105126.8171.1-56.60000108.2R323 I325T169-R323 WeakPolarHBondContact CA-O 3Å; T169-R323 HydrophobicContact CG2-CG 4.3Å; T169-R323 WeakPolarHBondContact OG1-CD 3.34Å; T169-R323 PolarHBondContact OG1-NE 3.39Å; T169-I325 HydrophobicContact CG2-CB 4.37Å; T169-I325 HydrophobicContact CG2-CD1 4.37Å; T169-I325 HydrophobicContact CG2-CG1 3.36Å
170Y89.7Confident73.2Confident29 Ų2958.6 Ų58.611%0.11432%0.322CS..EExtended strand (participates in β ladder)trans-103.4144.8179.6-57.9-80000111Y162 P163 T168 A174 R323 V324 I325Y162-Y170 AromaticContact CD1-CD1 3.78Å; Y162-Y170 HydrophobicContact CD1-CD1 3.78Å; Y162-Y170 AromaticContact CD1-CG 3.72Å; Y162-Y170 HydrophobicContact CD1-CG 3.72Å; Y162-Y170 HydrophobicContact CD2-CG 4.48Å; Y162-Y170 HydrophobicContact CG-CD1 4.1Å; Y162-Y170 HydrophobicContact CG-CD2 4.08Å; Y162-Y170 AromaticContact CG-CG 3.66Å; Y162-Y170 HydrophobicContact CG-CG 3.66Å; P163-Y170 HydrophobicContact CG-CE1 4.36Å; P163-Y170 WeakPolarHBondContact CG-OH 3.43Å; P163-Y170 WeakPolarHBondContact O-CE2 3.19Å; P163-Y170 VanDerWaalsContact O-CZ 3.23Å; P163-Y170 PolarHBondContact O-OH 2.85Å; T168-Y170 HydrophobicContact CG2-CD1 4.07Å; T168-Y170 HydrophobicContact CG2-CD2 4.43Å; T168-Y170 HydrophobicContact CG2-CE1 3.53Å; T168-Y170 HydrophobicContact CG2-CE2 3.95Å; T168-Y170 HydrophobicContact CG2-CG 4.49Å; T168-Y170 VanDerWaalsContact CG2-CZ 3.47Å; Y170-A174 HydrophobicContact CD1-CB 3.9Å; Y170-R323 PolarHBondContact N-O 3.06Å; Y170-V324 WeakPolarHBondContact O-CA 3.39Å; Y170-I325 PolarHBondContact O-N 3.12Å
171D92Very high73.8Confident37 Ų3759.2 Ų59.220%0.19833%0.325CS..  trans-131.4-175.2165.76821.9000110Y162 S173 A174 R327Y162-D171 PolarHBondContact OH-O 3.1Å; D171-S173 PolarHBondContact O-N 3.41Å; D171-S173 VanDerWaalsContact O-N 3.09Å; D171-S173 VanDerWaalsContact OD1-CB 3.29Å; D171-S173 WeakPolarHBondContact OD1-CB 3.34Å; D171-S173 PolarHBondContact OD1-N 3.33Å; D171-S173 PolarHBondContact OD1-OG 2.94Å; D171-A174 WeakPolarHBondContact O-CB 3.49Å; D171-A174 PolarHBondContact O-N 3.37Å; D171-A174 VanDerWaalsContact O-N 3.13Å; D171-R327 HydrophobicContact CB-CB 3.72Å; D171-R327 IonicContact OD2-NE 3.81Å
172E90.7Very high74.3Confident18 Ų1859.3 Ų59.38%0.08433%0.325CS..THydrogen-bonded Turntrans-64.3-11.3-176.4-61.790.8157.400114.4P267 N269 R327 K328E172-P267 HydrophobicContact CB-CG 4.43Å; E172-N269 HydrophobicContact CG-CB 4.25Å; E172-N269 PolarHBondContact N-ND2 3.29Å; E172-N269 WeakPolarHBondContact OE1-CB 3.42Å; E172-N269 PolarHBondContact OE1-N 2.9Å; E172-R327 WeakPolarHBondContact OE2-CB 3.48Å; E172-R327 PolarHBondContact OE2-N 3.37Å; E172-R327 VanDerWaalsContact OE2-N 3.08Å; E172-K328 HydrophobicContact CB-CD 4.33Å; E172-K328 HydrophobicContact CB-CG 4.28Å; E172-K328 HydrophobicContact CG-CD 4.28Å; E172-K328 HydrophobicContact CG-CG 4.22Å; E172-K328 PolarHBondContact OE2-N 2.86Å
173S88.7Confident74.4Confident99 Ų9959.3 Ų59.369%0.69233%0.325SS*.THydrogen-bonded Turntrans-84.8-15.2176.2750000113.4D171D171-S173 PolarHBondContact O-N 3.41Å; D171-S173 VanDerWaalsContact O-N 3.09Å; D171-S173 VanDerWaalsContact OD1-CB 3.29Å; D171-S173 WeakPolarHBondContact OD1-CB 3.34Å; D171-S173 PolarHBondContact OD1-N 3.33Å; D171-S173 PolarHBondContact OD1-OG 2.94Å
174A84.4Confident74.7Confident20 Ų2061 Ų6117%0.16533%0.333CS..SBendtrans-67.1130.6-179.300000110.7Y162 Y170 D171Y162-A174 HydrophobicContact CD1-CB 4.04Å; Y162-A174 HydrophobicContact CE1-CB 3.89Å; Y170-A174 HydrophobicContact CD1-CB 3.9Å; D171-A174 WeakPolarHBondContact O-CB 3.49Å; D171-A174 PolarHBondContact O-N 3.37Å; D171-A174 VanDerWaalsContact O-N 3.13Å
175P72.8Confident74.9Confident88 Ų8859.7 Ų59.757%0.57132%0.324SS*.PPolyproline II helixtrans-67.1148.7-177.327.7-34.6000110.8R177P175-R177 PolarHBondContact O-N 3.08Å
176P65.8Low75Confident74 Ų7456.9 Ų56.948%0.48131%0.309SS..PPolyproline II helixtrans-56.4133.816522.7-27.9000108.3F161F161-P176 HydrophobicContact CE1-CB 4.25Å; F161-P176 HydrophobicContact CE2-CB 3.65Å; F161-P176 HydrophobicContact CE2-CG 4.48Å; F161-P176 VanDerWaalsContact CZ-CA 3.48Å; F161-P176 HydrophobicContact CZ-CB 3.44Å; F161-P176 VanDerWaalsContact CZ-CB 3.44Å; F161-P176 HydrophobicContact CZ-CG 4.04Å
177R64.1Low75.1Confident163 Ų16353.4 Ų53.462%0.61529%0.292SS*.  trans-111124.7164-68.7-162.3-176-175.10.1107.3P175 C179 T183P175-R177 PolarHBondContact O-N 3.08Å; R177-C179 PolarHBondContact O-N 3.2Å; R177-C179 PolarHBondContact O-SG 3.21Å; R177-C179 VanDerWaalsContact O-SG 3.42Å; R177-T183 WeakPolarHBondContact O-CG2 3.29Å
178D58.1Low75Confident124 Ų12448.5 Ų48.566%0.66327%0.269SS*.  trans-67.479.4174.6-72.4-24.9000109.7N187D178-N187 PolarHBondContact OD1-ND2 2.88Å
179C55.3Low75Confident41 Ų4146.4 Ų46.428%0.27725%0.254SS..  trans-57.5-61.9-178.980.20000113R177R177-C179 PolarHBondContact O-N 3.2Å; R177-C179 PolarHBondContact O-SG 3.21Å; R177-C179 VanDerWaalsContact O-SG 3.42Å
180N61.9Low74.9Confident36 Ų3644.1 Ų44.119%0.19324%0.239CC..SBendtrans176.3167.1-132-86.7-24.1000109.8A157 Q159 I182 T183 N184A157-N180 WeakPolarHBondContact CB-OD1 3.02Å; A157-N180 WeakPolarHBondContact O-CB 3.49Å; Q159-N180 HydrophobicContact CB-CB 4.46Å; Q159-N180 WeakPolarHBondContact CB-ND2 3.34Å; Q159-N180 VanDerWaalsContact CG-ND2 3.34Å; Q159-N180 WeakPolarHBondContact CG-ND2 3.4Å; Q159-N180 PolarHBondContact OE1-ND2 3.14Å; N180-I182 VanDerWaalsContact C-N 3.26Å; N180-I182 PolarHBondContact O-N 2.67Å; N180-T183 PolarHBondContact O-N 3.05Å; N180-T183 VanDerWaalsContact O-N 3.11Å; N180-N184 PolarHBondContact O-N 3.13Å; N180-N184 VanDerWaalsContact O-N 3.08Å
181F62.6Low74.8Confident14 Ų1448.1 Ų48.16%0.06126%0.262CS..Hα-helixtrans-52.9-41.5-176.7174.1-102.5000113.8I82 F86 Y155 A157 Y158 N184 L185I82-F181 HydrophobicContact CG2-CE1 3.62Å; I82-F181 HydrophobicContact CG2-CE2 4.38Å; I82-F181 HydrophobicContact CG2-CZ 3.24Å; F86-F181 HydrophobicContact CD2-CZ 4.02Å; F86-F181 HydrophobicContact CE1-CE2 4.44Å; F86-F181 HydrophobicContact CE1-CZ 4.43Å; F86-F181 AromaticContact CE2-CE1 3.48Å; F86-F181 HydrophobicContact CE2-CE1 3.48Å; F86-F181 VanDerWaalsContact CE2-CE1 3.48Å; F86-F181 AromaticContact CE2-CE2 3.74Å; F86-F181 HydrophobicContact CE2-CE2 3.74Å; F86-F181 AromaticContact CE2-CZ 2.98Å; F86-F181 HydrophobicContact CE2-CZ 2.98Å; F86-F181 HydrophobicContact CZ-CD2 4.33Å; F86-F181 AromaticContact CZ-CE1 3.87Å; F86-F181 HydrophobicContact CZ-CE1 3.87Å; F86-F181 AromaticContact CZ-CE2 3.45Å; F86-F181 HydrophobicContact CZ-CE2 3.45Å; F86-F181 VanDerWaalsContact CZ-CE2 3.45Å; F86-F181 AromaticContact CZ-CZ 3.22Å; F86-F181 HydrophobicContact CZ-CZ 3.22Å; Y155-F181 AromaticContact CD1-CD2 3.61Å; Y155-F181 HydrophobicContact CD1-CD2 3.61Å; Y155-F181 HydrophobicContact CD1-CE1 4.38Å; Y155-F181 AromaticContact CD1-CE2 3.11Å; Y155-F181 HydrophobicContact CD1-CE2 3.11Å; Y155-F181 HydrophobicContact CD1-CG 4.42Å; Y155-F181 AromaticContact CD1-CZ 3.51Å; Y155-F181 HydrophobicContact CD1-CZ 3.51Å; Y155-F181 HydrophobicContact CE1-CD2 4.05Å; Y155-F181 AromaticContact CE1-CE2 3.18Å; Y155-F181 HydrophobicContact CE1-CE2 3.18Å; Y155-F181 AromaticContact CE1-CZ 3.62Å; Y155-F181 HydrophobicContact CE1-CZ 3.62Å; Y155-F181 HydrophobicContact CG-CD2 4.21Å; Y155-F181 HydrophobicContact CG-CE2 4.1Å; A157-F181 WeakPolarHBondContact O-CB 3.21Å; A157-F181 PolarHBondContact O-N 3.5Å; Y158-F181 AromaticContact CD1-CD1 3.81Å; Y158-F181 HydrophobicContact CD1-CD1 3.81Å; Y158-F181 AromaticContact CE1-CD1 3.16Å; Y158-F181 HydrophobicContact CE1-CD1 3.16Å; Y158-F181 AromaticContact CE1-CE1 3.59Å; Y158-F181 HydrophobicContact CE1-CE1 3.59Å; Y158-F181 HydrophobicContact CE1-CG 4.18Å; Y158-F181 AromaticContact CZ-CD1 3.62Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.18Å; F181-L185 PolarHBondContact O-N 3.19Å
182I64.4Low74.7Confident4 Ų447 Ų472%0.02126%0.258CS..Hα-helixtrans-68.7-44.3178.7-77.2-43000113F116 Y158 Q159 N180 N184 L185 V186F116-I182 HydrophobicContact CD2-CB 3.84Å; F116-I182 HydrophobicContact CD2-CD1 3.53Å; F116-I182 HydrophobicContact CD2-CG1 3.41Å; F116-I182 VanDerWaalsContact CD2-CG1 3.41Å; F116-I182 HydrophobicContact CD2-CG2 3.13Å; F116-I182 HydrophobicContact CE1-CD1 4.36Å; F116-I182 HydrophobicContact CE2-CB 3.98Å; F116-I182 HydrophobicContact CE2-CD1 3.09Å; F116-I182 HydrophobicContact CE2-CG1 3.54Å; F116-I182 HydrophobicContact CE2-CG2 3.42Å; F116-I182 VanDerWaalsContact CE2-CG2 3.42Å; F116-I182 HydrophobicContact CG-CD1 4.21Å; F116-I182 HydrophobicContact CG-CG1 4.08Å; F116-I182 HydrophobicContact CG-CG2 4.29Å; F116-I182 HydrophobicContact CZ-CD1 3.53Å; F116-I182 HydrophobicContact CZ-CG1 4.36Å; Y158-I182 HydrophobicContact CD1-CD1 3.42Å; Y158-I182 VanDerWaalsContact CD1-CD1 3.42Å; Y158-I182 HydrophobicContact CD1-CG1 3.28Å; Y158-I182 HydrophobicContact CE1-CD1 3.92Å; Y158-I182 HydrophobicContact CE1-CG1 4.21Å; Y158-I182 HydrophobicContact CG-CD1 4.48Å; Y158-I182 HydrophobicContact CG-CG1 3.89Å; Q159-I182 VanDerWaalsContact O-CB 3.28Å; Q159-I182 WeakPolarHBondContact O-CB 3.05Å; Q159-I182 WeakPolarHBondContact O-CG2 3.36Å; N180-I182 VanDerWaalsContact C-N 3.26Å; N180-I182 PolarHBondContact O-N 2.67Å; I182-N184 PolarHBondContact O-N 2.79Å; I182-L185 HydrophobicContact CD1-CD2 4.5Å; I182-L185 WeakPolarHBondContact O-CA 3.43Å; I182-L185 WeakPolarHBondContact O-CB 3.47Å; I182-L185 PolarHBondContact O-N 2.84Å; I182-V186 WeakPolarHBondContact O-CG2 3.28Å; I182-V186 PolarHBondContact O-N 3.26Å
183T66.9Low74.7Confident0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-62.1-39.3179.5-390000108.9Q159 G160 R177 N180 L185 V186 N187Q159-T183 PolarHBondContact O-N 3.06Å; Q159-T183 PolarHBondContact O-OG1 2.64Å; G160-T183 PolarHBondContact O-OG1 2.85Å; R177-T183 WeakPolarHBondContact O-CG2 3.29Å; N180-T183 PolarHBondContact O-N 3.05Å; N180-T183 VanDerWaalsContact O-N 3.11Å; T183-L185 PolarHBondContact O-N 3.31Å; T183-V186 PolarHBondContact O-N 3.26Å; T183-N187 VanDerWaalsContact O-CB 3.31Å; T183-N187 WeakPolarHBondContact O-CB 3.45Å; T183-N187 PolarHBondContact O-N 2.74Å; T183-N187 PolarHBondContact O-ND2 3.38Å; T183-N187 PolarHBondContact O-OD1 3.43Å
184N70.2Confident74.9Confident56 Ų5645.4 Ų45.430%0.29924%0.24SC..Hα-helixtrans-61.3-40.2172.4-67-12.9000112.6N180 F181 I182 Q188N180-N184 PolarHBondContact O-N 3.13Å; N180-N184 VanDerWaalsContact O-N 3.08Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.18Å; I182-N184 PolarHBondContact O-N 2.79Å; N184-Q188 VanDerWaalsContact O-CB 3.26Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 WeakPolarHBondContact O-CG 3.17Å; N184-Q188 PolarHBondContact O-N 3.31Å; N184-Q188 PolarHBondContact O-NE2 3.35Å
185L72.8Confident75.3Confident3 Ų344.5 Ų44.52%0.01623%0.232CC..Hα-helixtrans-60.1-50.5172.8173.157.1000111.2V85 F86 I90 F181 I182 T183 Q188 W189V85-L185 HydrophobicContact CG1-CD2 3.9Å; F86-L185 HydrophobicContact CB-CD1 4.5Å; F86-L185 HydrophobicContact CD1-CD1 3.6Å; F86-L185 HydrophobicContact CD2-CD1 3.72Å; F86-L185 HydrophobicContact CD2-CD2 4.17Å; F86-L185 HydrophobicContact CD2-CG 4.41Å; F86-L185 HydrophobicContact CE1-CB 3.95Å; F86-L185 HydrophobicContact CE1-CD1 3.58Å; F86-L185 HydrophobicContact CE1-CG 4.28Å; F86-L185 HydrophobicContact CE2-CB 3.86Å; F86-L185 HydrophobicContact CE2-CD1 3.66Å; F86-L185 HydrophobicContact CE2-CD2 3.74Å; F86-L185 HydrophobicContact CE2-CG 3.92Å; F86-L185 HydrophobicContact CG-CD1 3.7Å; F86-L185 HydrophobicContact CZ-CB 3.43Å; F86-L185 VanDerWaalsContact CZ-CB 3.43Å; F86-L185 HydrophobicContact CZ-CD1 3.65Å; F86-L185 HydrophobicContact CZ-CD2 4.22Å; F86-L185 HydrophobicContact CZ-CG 3.91Å; I90-L185 HydrophobicContact CD1-CD1 4.37Å; F181-L185 PolarHBondContact O-N 3.19Å; I182-L185 HydrophobicContact CD1-CD2 4.5Å; I182-L185 WeakPolarHBondContact O-CA 3.43Å; I182-L185 WeakPolarHBondContact O-CB 3.47Å; I182-L185 PolarHBondContact O-N 2.84Å; T183-L185 PolarHBondContact O-N 3.31Å; L185-Q188 PolarHBondContact O-N 2.93Å; L185-W189 VanDerWaalsContact O-CB 3.23Å; L185-W189 WeakPolarHBondContact O-CB 3.38Å; L185-W189 PolarHBondContact O-N 3.07Å
186V77.6Confident76.1Confident2 Ų245.8 Ų45.81%0.01224%0.24CC..Hα-helixtrans-64.8-44.3-176.9178.20000110.2S112 A113 F161 I182 T183 W189 E190S112-V186 WeakPolarHBondContact OG-CG1 3.33Å; A113-V186 HydrophobicContact CB-CG2 4.48Å; F161-V186 HydrophobicContact CB-CG1 4.21Å; F161-V186 HydrophobicContact CD2-CG1 3.79Å; F161-V186 HydrophobicContact CG-CG1 4.45Å; I182-V186 WeakPolarHBondContact O-CG2 3.28Å; I182-V186 PolarHBondContact O-N 3.26Å; T183-V186 PolarHBondContact O-N 3.26Å; V186-W189 PolarHBondContact O-N 2.95Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CB 3.12Å; V186-E190 WeakPolarHBondContact O-CG 3.33Å; V186-E190 PolarHBondContact O-N 2.86Å
187N80.3Confident77.4Confident19 Ų1945.7 Ų45.710%0.10224%0.242CC..Hα-helixtrans-59.2-50.9175.6-68.7-12.5000110.6F161 D178 T183 W189 E190 D191F161-N187 WeakPolarHBondContact CD2-OD1 3.33Å; F161-N187 VanDerWaalsContact CE2-OD1 3.25Å; F161-N187 WeakPolarHBondContact CE2-OD1 3.31Å; D178-N187 PolarHBondContact OD1-ND2 2.88Å; T183-N187 VanDerWaalsContact O-CB 3.31Å; T183-N187 WeakPolarHBondContact O-CB 3.45Å; T183-N187 PolarHBondContact O-N 2.74Å; T183-N187 PolarHBondContact O-ND2 3.38Å; T183-N187 PolarHBondContact O-OD1 3.43Å; N187-W189 VanDerWaalsContact C-N 3.27Å; N187-W189 PolarHBondContact O-N 2.86Å; N187-E190 PolarHBondContact O-N 2.75Å; N187-D191 VanDerWaalsContact O-CB 3.31Å; N187-D191 WeakPolarHBondContact O-CB 3.3Å; N187-D191 PolarHBondContact O-N 3.25Å
188Q81.9Confident78.8Confident69 Ų6939.7 Ų39.732%0.32222%0.219SC..Hα-helixtrans-61.9-34176.8-75.2176.564.200113.2I90 N184 L185 A192I90-Q188 HydrophobicContact CD1-CB 4.16Å; N184-Q188 VanDerWaalsContact O-CB 3.26Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 WeakPolarHBondContact O-CG 3.17Å; N184-Q188 PolarHBondContact O-N 3.31Å; N184-Q188 PolarHBondContact O-NE2 3.35Å; L185-Q188 PolarHBondContact O-N 2.93Å; Q188-A192 WeakPolarHBondContact O-CB 3.25Å; Q188-A192 PolarHBondContact O-N 2.96Å
189W85.1Confident80.3Confident13 Ų1339.4 Ų39.45%0.04922%0.224CC..Hα-helixtrans-71.8-43.9177.5-173.116.2000111.4R89 T93 N110 A111 L185 V186 N187 A192 A193R89-W189 HydrophobicContact CB-CD2 4.07Å; R89-W189 HydrophobicContact CB-CG 4.21Å; R89-W189 HydrophobicContact CB-CZ2 4.23Å; R89-W189 HydrophobicContact CG-CD2 4.22Å; R89-W189 HydrophobicContact CG-CH2 4.12Å; R89-W189 HydrophobicContact CG-CZ2 3.76Å; R89-W189 HydrophobicContact CG-CZ3 4.47Å; T93-W189 PolarHBondContact OG1-NE1 2.69Å; T93-W189 VanDerWaalsContact OG1-NE1 3.14Å; N110-W189 PolarHBondContact ND2-NE1 3.03Å; A111-W189 VanDerWaalsContact C-CH2 3.48Å; A111-W189 HydrophobicContact CB-CH2 3.7Å; A111-W189 HydrophobicContact CB-CZ2 3.8Å; A111-W189 WeakPolarHBondContact O-CH2 3.34Å; A111-W189 WeakPolarHBondContact O-CZ2 3.5Å; L185-W189 VanDerWaalsContact O-CB 3.23Å; L185-W189 WeakPolarHBondContact O-CB 3.38Å; L185-W189 PolarHBondContact O-N 3.07Å; V186-W189 PolarHBondContact O-N 2.95Å; N187-W189 VanDerWaalsContact C-N 3.27Å; N187-W189 PolarHBondContact O-N 2.86Å; W189-A192 PolarHBondContact O-N 3.46Å; W189-A193 WeakPolarHBondContact O-CB 3.44Å; W189-A193 PolarHBondContact O-N 3.2Å; W189-A193 VanDerWaalsContact O-N 3.17Å
190E87.3Confident82.1Confident17 Ų1742.5 Ų42.58%0.07924%0.238CC..Hα-helixtrans-66-38.6175.1-72.1-170.518000111.5S112 V186 N187 A193 Q194 Q205 R207S112-E190 WeakPolarHBondContact CB-OE1 3.44Å; S112-E190 PolarHBondContact OG-OE1 3.29Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CB 3.12Å; V186-E190 WeakPolarHBondContact O-CG 3.33Å; V186-E190 PolarHBondContact O-N 2.86Å; N187-E190 PolarHBondContact O-N 2.75Å; E190-A193 WeakPolarHBondContact O-CB 3.4Å; E190-A193 PolarHBondContact O-N 3.42Å; E190-Q194 WeakPolarHBondContact O-CG 3.43Å; E190-Q194 PolarHBondContact O-NE2 3.06Å; E190-Q205 HydrophobicContact CG-CB 4.26Å; E190-Q205 HydrophobicContact CG-CG 4.2Å; E190-R207 WeakPolarHBondContact OE1-CG 3.25Å; E190-R207 IonicContact OE1-CZ 3.96Å; E190-R207 IonicContact OE1-NE 3.54Å; E190-R207 PolarHBondContact OE1-NE 3.41Å; E190-R207 IonicContact OE1-NH2 3.51Å; E190-R207 IonicContact OE2-CZ 3.93Å; E190-R207 IonicContact OE2-NE 3.19Å; E190-R207 IonicContact OE2-NH2 2.77Å; E190-R207 PolarHBondContact OE2-NH2 3.32Å
191D88.1Confident83.7Confident113 Ų11341 Ų4160%0.60423%0.23SC*.Hα-helixtrans-64.8-44.8174.8-72.1-18.8000111.4N187 A193 Q194N187-D191 VanDerWaalsContact O-CB 3.31Å; N187-D191 WeakPolarHBondContact O-CB 3.3Å; N187-D191 PolarHBondContact O-N 3.25Å; D191-A193 PolarHBondContact O-N 2.98Å; D191-Q194 PolarHBondContact O-N 3.13Å
192A89.4Confident85.3Confident14 Ų1442 Ų4212%0.11623%0.233CC..Hα-helixtrans-62.5-22.117600000113I90 T93 K94 V97 Q188 W189I90-A192 HydrophobicContact CG2-CB 4.24Å; T93-A192 HydrophobicContact CG2-CB 4.35Å; K94-A192 HydrophobicContact CG-CB 3.99Å; V97-A192 WeakPolarHBondContact CG2-O 3.37Å; Q188-A192 WeakPolarHBondContact O-CB 3.25Å; Q188-A192 PolarHBondContact O-N 2.96Å; W189-A192 PolarHBondContact O-N 3.46Å
193A91.8Very high86.8Confident0 Ų042.7 Ų42.70%024%0.236CC..THydrogen-bonded Turntrans-89.2-4.6-17900000114.1T93 F108 N110 W189 E190 D191T93-A193 VanDerWaalsContact CG2-CA 3.43Å; T93-A193 HydrophobicContact CG2-CB 3.56Å; F108-A193 HydrophobicContact CE1-CB 4.26Å; N110-A193 HydrophobicContact CB-CB 4.04Å; N110-A193 VanDerWaalsContact ND2-CB 3.34Å; N110-A193 WeakPolarHBondContact ND2-CB 3.43Å; W189-A193 WeakPolarHBondContact O-CB 3.44Å; W189-A193 PolarHBondContact O-N 3.2Å; W189-A193 VanDerWaalsContact O-N 3.17Å; E190-A193 WeakPolarHBondContact O-CB 3.4Å; E190-A193 PolarHBondContact O-N 3.42Å; D191-A193 PolarHBondContact O-N 2.98Å
194Q91.6Very high88.2Confident84 Ų8442.7 Ų42.739%0.39324%0.236SC..  trans-79.7140.3179.7-56.5-55.9-52.600111.8V97 E190 D191 P196V97-Q194 WeakPolarHBondContact CG1-O 3.33Å; E190-Q194 WeakPolarHBondContact O-CG 3.43Å; E190-Q194 PolarHBondContact O-NE2 3.06Å; D191-Q194 PolarHBondContact O-N 3.13Å; Q194-P196 VanDerWaalsContact C-CD 3.48Å; Q194-P196 WeakPolarHBondContact O-CD 3.23Å
195I92.8Very high89.3Confident0 Ų040.1 Ų40.10%022%0.223CC..  trans-122.772.3175.8-46.9171000108.2V97 K101 F108 S197 R198 I201 Q203V97-I195 HydrophobicContact CB-CG1 4.19Å; V97-I195 HydrophobicContact CG1-CG1 3.93Å; V97-I195 HydrophobicContact CG2-CD1 4.17Å; V97-I195 HydrophobicContact CG2-CG1 3.79Å; K101-I195 HydrophobicContact CG-CG2 4.12Å; F108-I195 HydrophobicContact CB-CD1 4.11Å; F108-I195 HydrophobicContact CD1-CD1 4.18Å; F108-I195 HydrophobicContact CD2-CD1 4.36Å; F108-I195 HydrophobicContact CG-CD1 3.96Å; I195-S197 PolarHBondContact O-N 2.91Å; I195-S197 VanDerWaalsContact O-N 3.14Å; I195-R198 HydrophobicContact CG2-CB 3.78Å; I195-R198 HydrophobicContact CG2-CG 3.87Å; I195-R198 PolarHBondContact O-N 3.24Å; I195-I201 HydrophobicContact CB-CD1 4.08Å; I195-I201 HydrophobicContact CD1-CD1 3.41Å; I195-I201 VanDerWaalsContact CD1-CD1 3.41Å; I195-I201 HydrophobicContact CG1-CD1 4.27Å; I195-I201 HydrophobicContact CG2-CD1 4.3Å; I195-Q203 PolarHBondContact O-NE2 3.04Å
196P90.6Very high90.4Very high115 Ų11540 Ų4075%0.74722%0.222SC*.THydrogen-bonded Turntrans-62.6-24-172.824.4-34.6000113.6Q194 R198Q194-P196 VanDerWaalsContact C-CD 3.48Å; Q194-P196 WeakPolarHBondContact O-CD 3.23Å; P196-R198 PolarHBondContact O-N 3.36Å
197S92.3Very high91.1Very high73 Ų7340.4 Ų40.451%0.5122%0.223SC..THydrogen-bonded Turntrans-73.2-8.1176.160.30000114.1I195I195-S197 PolarHBondContact O-N 2.91Å; I195-S197 VanDerWaalsContact O-N 3.14Å
198R93.3Very high91.6Very high37 Ų3740.4 Ų40.414%0.1422%0.224CC..  trans-129.573.8-176.9-65.9-65.8-61.5-77.9-4.8110.4S100 K101 A103 I105 I195 P196 D200 I201 Q203S100-R198 PolarHBondContact O-NH1 2.88Å; S100-R198 VanDerWaalsContact O-NH1 3.15Å; K101-R198 PolarHBondContact O-NH1 2.73Å; A103-R198 PolarHBondContact O-NH1 2.99Å; I105-R198 PolarHBondContact O-NH2 3.25Å; I195-R198 HydrophobicContact CG2-CB 3.78Å; I195-R198 HydrophobicContact CG2-CG 3.87Å; I195-R198 PolarHBondContact O-N 3.24Å; P196-R198 PolarHBondContact O-N 3.36Å; R198-D200 VanDerWaalsContact CA-OD1 3.22Å; R198-D200 WeakPolarHBondContact CA-OD1 3.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.25Å; R198-D200 WeakPolarHBondContact CD-OD1 3.4Å; R198-D200 IonicContact CZ-OD1 3.94Å; R198-D200 IonicContact CZ-OD2 2.73Å; R198-D200 IonicContact NE-OD1 2.86Å; R198-D200 PolarHBondContact NE-OD1 2.99Å; R198-D200 IonicContact NE-OD2 3.06Å; R198-D200 PolarHBondContact NE-OD2 3.47Å; R198-D200 IonicContact NH2-OD1 2.81Å; R198-D200 IonicContact NH2-OD2 3.06Å; R198-D200 PolarHBondContact NH2-OD2 3.31Å; R198-D200 PolarHBondContact O-N 3.39Å; R198-I201 HydrophobicContact CB-CD1 3.9Å; R198-I201 HydrophobicContact CB-CG1 3.87Å; R198-I201 HydrophobicContact CB-CG2 4.24Å; R198-I201 VanDerWaalsContact NH2-CG2 3.27Å; R198-I201 VanDerWaalsContact O-CG1 3.3Å; R198-I201 WeakPolarHBondContact O-CG1 3.42Å; R198-Q203 PolarHBondContact O-NE2 2.77Å
199P91.1Very high92Very high118 Ų11837.7 Ų37.777%0.76621%0.214SC*.THydrogen-bonded Turntrans-69.7-14173.330.2-35.4000112.8I201P199-I201 VanDerWaalsContact C-N 3.34Å
200D92.7Very high92.1Very high106 Ų10638.1 Ų38.157%0.56722%0.218SC*.THydrogen-bonded Turntrans-74-21.4178.561.1-61.9000113.6R198R198-D200 VanDerWaalsContact CA-OD1 3.22Å; R198-D200 WeakPolarHBondContact CA-OD1 3.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.25Å; R198-D200 WeakPolarHBondContact CD-OD1 3.4Å; R198-D200 IonicContact CZ-OD1 3.94Å; R198-D200 IonicContact CZ-OD2 2.73Å; R198-D200 IonicContact NE-OD1 2.86Å; R198-D200 PolarHBondContact NE-OD1 2.99Å; R198-D200 IonicContact NE-OD2 3.06Å; R198-D200 PolarHBondContact NE-OD2 3.47Å; R198-D200 IonicContact NH2-OD1 2.81Å; R198-D200 IonicContact NH2-OD2 3.06Å; R198-D200 PolarHBondContact NH2-OD2 3.31Å; R198-D200 PolarHBondContact O-N 3.39Å
201I94.2Very high92.2Very high4 Ų438.5 Ų38.52%0.02122%0.222CC..SBendtrans-91.2143.4178.769.6175.2000110.6I105 K106 F108 I195 R198 P199 Q203I105-I201 HydrophobicContact CD1-CD1 4.08Å; I105-I201 HydrophobicContact CG1-CG2 4.29Å; I105-I201 VanDerWaalsContact O-CG2 3.25Å; I105-I201 WeakPolarHBondContact O-CG2 3.42Å; K106-I201 WeakPolarHBondContact O-CA 3.16Å; F108-I201 HydrophobicContact CB-CD1 4.38Å; I195-I201 HydrophobicContact CB-CD1 4.08Å; I195-I201 HydrophobicContact CD1-CD1 3.41Å; I195-I201 VanDerWaalsContact CD1-CD1 3.41Å; I195-I201 HydrophobicContact CG1-CD1 4.27Å; I195-I201 HydrophobicContact CG2-CD1 4.3Å; R198-I201 HydrophobicContact CB-CD1 3.9Å; R198-I201 HydrophobicContact CB-CG1 3.87Å; R198-I201 HydrophobicContact CB-CG2 4.24Å; R198-I201 VanDerWaalsContact NH2-CG2 3.27Å; R198-I201 VanDerWaalsContact O-CG1 3.3Å; R198-I201 WeakPolarHBondContact O-CG1 3.42Å; P199-I201 VanDerWaalsContact C-N 3.34Å; I201-Q203 HydrophobicContact CD1-CG 4.03Å; I201-Q203 HydrophobicContact CG1-CG 3.73Å; I201-Q203 PolarHBondContact O-N 2.94Å
202R96.2Very high92.4Very high35 Ų3533.1 Ų33.113%0.13219%0.193CC..EExtended strand (participates in β ladder)trans-72.4120.3170.7-175.5-177.4-59.4167.77.3109.7K106 A107 F108 I204 V256 D258 R261K106-R202 PolarHBondContact O-N 3.09Å; A107-R202 CarbonylContact C-O 3.52Å; A107-R202 VanDerWaalsContact CA-O 3.27Å; A107-R202 WeakPolarHBondContact CA-O 3.38Å; A107-R202 HydrophobicContact CB-CB 4.01Å; F108-R202 PolarHBondContact N-O 3.4Å; R202-I204 HydrophobicContact CG-CD1 4.17Å; R202-I204 HydrophobicContact CG-CG1 3.99Å; R202-V256 VanDerWaalsContact CD-O 3.3Å; R202-V256 WeakPolarHBondContact CD-O 3.35Å; R202-V256 PolarHBondContact NH1-O 3.13Å; R202-D258 PolarHBondContact NH1-O 2.97Å; R202-R261 PolarHBondContact NH1-O 3.08Å; R202-R261 PolarHBondContact NH2-O 2.93Å
203Q96.7Very high92.4Very high19 Ų1932.9 Ų32.99%0.08919%0.19CC..EExtended strand (participates in β ladder)trans-115.1116.6-179.2-57.8-177.248.400109.3F108 I195 R198 I201 S265 G266F108-Q203 WeakPolarHBondContact O-CA 3.5Å; I195-Q203 PolarHBondContact O-NE2 3.04Å; R198-Q203 PolarHBondContact O-NE2 2.77Å; I201-Q203 HydrophobicContact CD1-CG 4.03Å; I201-Q203 HydrophobicContact CG1-CG 3.73Å; I201-Q203 PolarHBondContact O-N 2.94Å; Q203-S265 PolarHBondContact N-OG 3.35Å; Q203-S265 VanDerWaalsContact N-OG 3.1Å; Q203-S265 CarbonylContact O-C 3.52Å; Q203-S265 VanDerWaalsContact O-CA 3.3Å; Q203-S265 WeakPolarHBondContact O-CA 3.27Å; Q203-S265 VanDerWaalsContact O-CB 3.27Å; Q203-S265 WeakPolarHBondContact O-CB 3.38Å; Q203-G266 PolarHBondContact O-N 3.23Å
204I96.6Very high92Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-122.2130.6-175.9-59.7-66.8000110.3F108 I109 N110 R202 L206 V256 F263 P264 G266 V268F108-I204 PolarHBondContact O-N 2.68Å; I109-I204 HydrophobicContact CG1-CB 4.24Å; I109-I204 HydrophobicContact CG2-CB 4.27Å; I109-I204 HydrophobicContact CG2-CG2 4.33Å; N110-I204 PolarHBondContact N-O 2.99Å; R202-I204 HydrophobicContact CG-CD1 4.17Å; R202-I204 HydrophobicContact CG-CG1 3.99Å; I204-L206 HydrophobicContact CG2-CD2 3.7Å; I204-L206 HydrophobicContact CG2-CG 4.28Å; I204-V256 HydrophobicContact CG1-CB 4.38Å; I204-V256 HydrophobicContact CG2-CG2 4.2Å; I204-F263 HydrophobicContact CD1-CD1 3.91Å; I204-F263 HydrophobicContact CD1-CE1 4Å; I204-P264 WeakPolarHBondContact CD1-O 3.23Å; I204-G266 WeakPolarHBondContact CA-O 3.43Å; I204-V268 HydrophobicContact CD1-CG2 4.24Å; I204-V268 HydrophobicContact CG2-CB 4.26Å; I204-V268 HydrophobicContact CG2-CG2 3.74Å
205Q94.2Very high91.2Very high2 Ų240.1 Ų40.11%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-106.4111.6171-52.9-58.2-36.500109.6N110 E190 R207 G266 P267 V268N110-Q205 PolarHBondContact ND2-OE1 3.38Å; N110-Q205 WeakPolarHBondContact O-CA 3.36Å; E190-Q205 HydrophobicContact CG-CB 4.26Å; E190-Q205 HydrophobicContact CG-CG 4.2Å; Q205-R207 PolarHBondContact O-N 2.95Å; Q205-G266 PolarHBondContact N-O 2.94Å; Q205-P267 CarbonylContact O-C 3.59Å; Q205-P267 WeakPolarHBondContact O-CA 3.22Å; Q205-V268 PolarHBondContact O-N 2.84Å
206L94.8Very high90.2Very high0 Ų040.4 Ų40.40%023%0.228CC..EExtended strand (participates in β ladder)trans-8687.7-175.3-59.2173.4000110.9L60 I109 N110 S112 I204 T208 M249 I253 V256L60-L206 HydrophobicContact CD2-CD1 4.4Å; I109-L206 HydrophobicContact CG2-CD1 3.42Å; I109-L206 VanDerWaalsContact CG2-CD1 3.42Å; I109-L206 HydrophobicContact CG2-CD2 3.97Å; I109-L206 HydrophobicContact CG2-CG 3.63Å; N110-L206 PolarHBondContact O-N 2.81Å; S112-L206 CarbonylContact C-O 3.55Å; S112-L206 VanDerWaalsContact CA-O 3.31Å; S112-L206 WeakPolarHBondContact CA-O 3.28Å; S112-L206 PolarHBondContact N-O 3.34Å; I204-L206 HydrophobicContact CG2-CD2 3.7Å; I204-L206 HydrophobicContact CG2-CG 4.28Å; L206-T208 PolarHBondContact O-N 3.45Å; L206-T208 PolarHBondContact O-OG1 3.33Å; L206-T208 VanDerWaalsContact O-OG1 3.08Å; L206-M249 HydrophobicContact CB-CE 4.34Å; L206-M249 HydrophobicContact CD1-CE 4.03Å; L206-I253 HydrophobicContact CD1-CD1 4.24Å; L206-I253 HydrophobicContact CD1-CG1 3.75Å; L206-V256 HydrophobicContact CD2-CG2 4.26Å
207R92.4Very high89.2Confident11 Ų1140.1 Ų40.14%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-7194.9175.7-66.8-178.7-179.5162.44.1109.2V114 Y162 E190 Q205 V268 C270V114-R207 HydrophobicContact CG1-CB 3.82Å; V114-R207 WeakPolarHBondContact CG1-O 3.5Å; Y162-R207 PolarHBondContact OH-NH1 2.99Å; E190-R207 WeakPolarHBondContact OE1-CG 3.25Å; E190-R207 IonicContact OE1-CZ 3.96Å; E190-R207 IonicContact OE1-NE 3.54Å; E190-R207 PolarHBondContact OE1-NE 3.41Å; E190-R207 IonicContact OE1-NH2 3.51Å; E190-R207 IonicContact OE2-CZ 3.93Å; E190-R207 IonicContact OE2-NE 3.19Å; E190-R207 IonicContact OE2-NH2 2.77Å; E190-R207 PolarHBondContact OE2-NH2 3.32Å; Q205-R207 PolarHBondContact O-N 2.95Å; R207-V268 PolarHBondContact N-O 3.28Å; R207-C270 PolarHBondContact O-N 3.13Å
208T91.5Very high88Confident18 Ų1838.1 Ų38.111%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-87.3134.9-171.3-510000111.1S112 V114 L206 V211 I244 M249S112-T208 PolarHBondContact O-N 3.35Å; S112-T208 PolarHBondContact O-OG1 3.5Å; V114-T208 PolarHBondContact N-O 2.97Å; V114-T208 VanDerWaalsContact N-O 3.14Å; L206-T208 PolarHBondContact O-N 3.45Å; L206-T208 PolarHBondContact O-OG1 3.33Å; L206-T208 VanDerWaalsContact O-OG1 3.08Å; T208-V211 HydrophobicContact CG2-CG2 3.48Å; T208-V211 VanDerWaalsContact CG2-CG2 3.48Å; T208-I244 HydrophobicContact CG2-CG2 4.45Å; T208-M249 HydrophobicContact CG2-CE 4.12Å; T208-M249 HydrophobicContact CG2-SD 3.93Å; T208-M249 WeakPolarHBondContact OG1-CE 3.34Å
209G89.6Confident87Confident12 Ų1236.4 Ų36.412%0.12419%0.192CC..  trans-77.4-166.5164.800000113.2V211 S242 C270G209-V211 PolarHBondContact O-N 3.04Å; G209-S242 CarbonylContact C-O 3.5Å; G209-S242 VanDerWaalsContact CA-O 3.3Å; G209-S242 WeakPolarHBondContact CA-O 3.42Å; G209-C270 PolarHBondContact N-O 2.88Å; G209-C270 VanDerWaalsContact N-O 3.13Å
210V86.9Confident86Confident23 Ų2337.1 Ų37.114%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-69.6113.6174.2-176.50000109.8Q117 L212 M241 S242 W243 I244Q117-V210 HydrophobicContact CB-CG2 3.74Å; Q117-V210 WeakPolarHBondContact O-CG2 3.3Å; V210-L212 HydrophobicContact CG1-CD2 4.17Å; V210-L212 PolarHBondContact O-N 2.8Å; V210-M241 HydrophobicContact CB-CE 3.62Å; V210-M241 HydrophobicContact CG1-CE 3.58Å; V210-M241 HydrophobicContact CG2-CE 3.85Å; V210-S242 PolarHBondContact N-O 3.35Å; V210-W243 CarbonylContact O-C 3.56Å; V210-W243 VanDerWaalsContact O-CA 3.25Å; V210-W243 WeakPolarHBondContact O-CA 3.23Å; V210-I244 PolarHBondContact O-N 3.08Å
211V90.3Very high84.8Confident25 Ų2533.5 Ų33.515%0.15216%0.161CC..EExtended strand (participates in β ladder)trans-78.5114.9179.5-176.10000110.5I12 T208 G209 I244 L246I12-V211 HydrophobicContact CD1-CG2 4.06Å; T208-V211 HydrophobicContact CG2-CG2 3.48Å; T208-V211 VanDerWaalsContact CG2-CG2 3.48Å; G209-V211 PolarHBondContact O-N 3.04Å; V211-I244 CarbonylContact C-O 3.1Å; V211-I244 WeakPolarHBondContact CA-O 3.32Å; V211-I244 HydrophobicContact CB-CG2 4.49Å; V211-I244 HydrophobicContact CG2-CG2 3.92Å; V211-L246 HydrophobicContact CG1-CB 4.01Å; V211-L246 HydrophobicContact CG1-CD1 3.99Å
212L91.2Very high83.6Confident0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-90.2125.8175.6-54.4-175.8000109.9V210 F218 M241 W243 I244 L246 F281 I341 I348V210-L212 HydrophobicContact CG1-CD2 4.17Å; V210-L212 PolarHBondContact O-N 2.8Å; L212-F218 HydrophobicContact CD2-CD1 4.47Å; L212-F218 HydrophobicContact CD2-CE1 4.42Å; L212-M241 HydrophobicContact CD2-CE 4.33Å; L212-W243 HydrophobicContact CD1-CB 4.15Å; L212-W243 HydrophobicContact CD1-CD2 3.98Å; L212-W243 HydrophobicContact CD1-CE3 3.52Å; L212-W243 HydrophobicContact CD1-CG 4.26Å; L212-W243 HydrophobicContact CD1-CZ3 4.27Å; L212-W243 HydrophobicContact CG-CB 4.27Å; L212-W243 HydrophobicContact CG-CE3 4.23Å; L212-I244 PolarHBondContact N-O 3.22Å; L212-L246 PolarHBondContact O-N 2.87Å; L212-F281 HydrophobicContact CD1-CE2 3.97Å; L212-F281 HydrophobicContact CD2-CE2 4.07Å; L212-F281 HydrophobicContact CD2-CZ 4.31Å; L212-I341 HydrophobicContact CD1-CD1 3.6Å; L212-I348 HydrophobicContact CB-CD1 3.67Å
213S89.1Confident82.4Confident8 Ų836 Ų366%0.05617%0.171CC..  trans-157145.3177.8173.60000110.6D215 S216 I219 L246S213-D215 PolarHBondContact O-N 3.01Å; S213-D215 VanDerWaalsContact O-N 3.16Å; S213-D215 PolarHBondContact OG-N 2.78Å; S213-D215 VanDerWaalsContact OG-N 3.17Å; S213-S216 WeakPolarHBondContact O-CB 3.42Å; S213-S216 PolarHBondContact O-N 3.43Å; S213-S216 PolarHBondContact O-OG 3.07Å; S213-I219 WeakPolarHBondContact O-CB 3.48Å; S213-I219 WeakPolarHBondContact O-CG1 3.43Å; S213-L246 VanDerWaalsContact OG-CD2 3.27Å; S213-L246 WeakPolarHBondContact OG-CD2 3.45Å
214K84.5Confident81.1Confident122 Ų12241.4 Ų41.453%0.5320%0.195SC..THydrogen-bonded Turntrans-52.3-32.4170.5-176.4170.8-179.1-179.40113.4R223 I348K214-R223 PolarHBondContact O-NH1 3.4Å; K214-I348 HydrophobicContact CB-CG2 4.3Å
215D75.2Confident79.7Confident115 Ų11541.7 Ų41.762%0.61520%0.197SC*.THydrogen-bonded Turntrans-99.85.7-178.1-60.8-35.6000113.4L11 S213L11-D215 HydrophobicContact CD1-CB 4.18Å; S213-D215 PolarHBondContact O-N 3.01Å; S213-D215 VanDerWaalsContact O-N 3.16Å; S213-D215 PolarHBondContact OG-N 2.78Å; S213-D215 VanDerWaalsContact OG-N 3.17Å
216S71Confident78.4Confident5 Ų543.3 Ų43.34%0.03520%0.204CC..SBendtrans-67.3142.7173.8680000110.4S213 F218 I219 R220S213-S216 WeakPolarHBondContact O-CB 3.42Å; S213-S216 PolarHBondContact O-N 3.43Å; S213-S216 PolarHBondContact O-OG 3.07Å; S216-F218 PolarHBondContact O-N 3.42Å; S216-I219 PolarHBondContact O-N 2.93Å; S216-I219 WeakPolarHBondContact OG-CB 3.28Å; S216-I219 WeakPolarHBondContact OG-CG1 3.45Å; S216-I219 PolarHBondContact OG-N 2.7Å; S216-I219 VanDerWaalsContact OG-N 3.13Å; S216-R220 PolarHBondContact O-N 3.35Å
217H68.7Low76.9Confident109 Ų10947.4 Ų47.451%0.50523%0.231SC..Hα-helixtrans-54.3-37.1172.2-72.784.6000111R220 T221H217-R220 PolarHBondContact CD2-NH2 2.96Å; H217-R220 PolarHBondContact O-N 2.89Å; H217-T221 PolarHBondContact O-N 3.03Å; H217-T221 PolarHBondContact O-OG1 3.08Å
218F68.5Low75.5Confident32 Ų3251.2 Ų51.214%0.1425%0.252CS..Hα-helixtrans-55.7-58.6175.9170.7-117.5000112.2M119 L212 S216 R220 T221 V222 F281 M285M119-F218 HydrophobicContact CB-CD2 3.42Å; M119-F218 VanDerWaalsContact CB-CD2 3.42Å; M119-F218 HydrophobicContact CB-CE2 3.2Å; M119-F218 HydrophobicContact CB-CG 4.39Å; M119-F218 HydrophobicContact CB-CZ 4Å; M119-F218 HydrophobicContact CE-CD1 4.36Å; M119-F218 HydrophobicContact CE-CD2 4.42Å; M119-F218 HydrophobicContact CE-CE1 3.49Å; M119-F218 VanDerWaalsContact CE-CE1 3.49Å; M119-F218 HydrophobicContact CE-CE2 3.61Å; M119-F218 HydrophobicContact CE-CZ 3.08Å; M119-F218 HydrophobicContact CG-CD2 4.06Å; M119-F218 HydrophobicContact CG-CE2 3.29Å; M119-F218 HydrophobicContact CG-CZ 3.78Å; M119-F218 HydrophobicContact SD-CE2 4.3Å; M119-F218 HydrophobicContact SD-CZ 4.23Å; L212-F218 HydrophobicContact CD2-CD1 4.47Å; L212-F218 HydrophobicContact CD2-CE1 4.42Å; S216-F218 PolarHBondContact O-N 3.42Å; F218-R220 VanDerWaalsContact C-N 3.29Å; F218-R220 PolarHBondContact O-N 2.61Å; F218-T221 PolarHBondContact O-N 2.98Å; F218-V222 HydrophobicContact CD2-CG2 4.05Å; F218-V222 HydrophobicContact CE1-CG2 4.35Å; F218-V222 HydrophobicContact CE2-CG2 3.29Å; F218-V222 HydrophobicContact CZ-CG2 3.46Å; F218-V222 VanDerWaalsContact CZ-CG2 3.46Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 3.01Å; F218-F281 HydrophobicContact CE1-CZ 4.03Å; F218-F281 HydrophobicContact CZ-CE1 4.31Å; F218-F281 HydrophobicContact CZ-CZ 4.28Å; F218-M285 HydrophobicContact CE1-SD 4.24Å; F218-M285 HydrophobicContact CZ-CE 4.44Å; F218-M285 HydrophobicContact CZ-SD 3.75Å
219I71.3Confident74.1Confident0 Ų050.6 Ų50.60%025%0.248CC..Hα-helixtrans-65.1-34.5-178-63.9-68.5000111.5S213 S216 V222 R223 I348 F349S213-I219 WeakPolarHBondContact O-CB 3.48Å; S213-I219 WeakPolarHBondContact O-CG1 3.43Å; S216-I219 PolarHBondContact O-N 2.93Å; S216-I219 WeakPolarHBondContact OG-CB 3.28Å; S216-I219 WeakPolarHBondContact OG-CG1 3.45Å; S216-I219 PolarHBondContact OG-N 2.7Å; S216-I219 VanDerWaalsContact OG-N 3.13Å; I219-V222 PolarHBondContact O-N 3.43Å; I219-R223 WeakPolarHBondContact O-CG 3.27Å; I219-R223 PolarHBondContact O-N 3.34Å; I219-R223 VanDerWaalsContact O-N 3.1Å; I219-I348 HydrophobicContact CD1-CG2 4.46Å; I219-I348 HydrophobicContact CG1-CG2 4.45Å; I219-I348 HydrophobicContact CG2-CG2 4.09Å; I219-F349 HydrophobicContact CD1-CE2 4.04Å; I219-F349 HydrophobicContact CD1-CZ 3.56Å; I219-F349 HydrophobicContact CG1-CZ 4.46Å; I219-F349 HydrophobicContact CG2-CE1 3.52Å; I219-F349 HydrophobicContact CG2-CZ 3.6Å
220R71.1Confident72.9Confident134 Ų13453.3 Ų53.351%0.50626%0.257SS..Hα-helixtrans-62.7-44.5174.5-170.5175.268.9-158.21.5112.1S216 H217 F218 R223 H224S216-R220 PolarHBondContact O-N 3.35Å; H217-R220 PolarHBondContact CD2-NH2 2.96Å; H217-R220 PolarHBondContact O-N 2.89Å; F218-R220 VanDerWaalsContact C-N 3.29Å; F218-R220 PolarHBondContact O-N 2.61Å; R220-R223 PolarHBondContact O-N 2.76Å; R220-H224 PolarHBondContact O-CD2 2.95Å
221T67.3Low72.2Confident29 Ų2952.6 Ų52.618%0.17825%0.253CS..Hα-helixtrans-63.5-44.9176.7-66.20000111.6C121 F122 H217 F218 R223 H224 V225C121-T221 HydrophobicContact CB-CG2 4.03Å; F122-T221 HydrophobicContact CD2-CG2 3.54Å; F122-T221 HydrophobicContact CE2-CG2 3.37Å; F122-T221 HydrophobicContact CG-CG2 4.41Å; F122-T221 HydrophobicContact CZ-CG2 4.12Å; H217-T221 PolarHBondContact O-N 3.03Å; H217-T221 PolarHBondContact O-OG1 3.08Å; F218-T221 PolarHBondContact O-N 2.98Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.12Å; T221-H224 PolarHBondContact O-N 3.03Å; T221-H224 VanDerWaalsContact O-N 3.12Å; T221-V225 PolarHBondContact O-N 2.93Å
222V69Low71.6Confident1 Ų152 Ų521%0.00625%0.249CC..Hα-helixtrans-57-43.8178.3176.50000111.2C121 F218 I219 H224 V225 F226 M285 L289C121-V222 HydrophobicContact CB-CG2 4.11Å; C121-V222 VanDerWaalsContact SG-CG2 3.52Å; F218-V222 HydrophobicContact CD2-CG2 4.05Å; F218-V222 HydrophobicContact CE1-CG2 4.35Å; F218-V222 HydrophobicContact CE2-CG2 3.29Å; F218-V222 HydrophobicContact CZ-CG2 3.46Å; F218-V222 VanDerWaalsContact CZ-CG2 3.46Å; F218-V222 WeakPolarHBondContact O-CG2 3.46Å; F218-V222 PolarHBondContact O-N 3.01Å; I219-V222 PolarHBondContact O-N 3.43Å; V222-H224 PolarHBondContact O-N 3.24Å; V222-H224 VanDerWaalsContact O-N 3.12Å; V222-V225 VanDerWaalsContact O-CG2 3.29Å; V222-V225 WeakPolarHBondContact O-CG2 3.46Å; V222-V225 PolarHBondContact O-N 3.36Å; V222-V225 VanDerWaalsContact O-N 3.16Å; V222-F226 WeakPolarHBondContact O-CB 3.36Å; V222-F226 PolarHBondContact O-N 3.27Å; V222-M285 HydrophobicContact CG1-CE 4.03Å; V222-M285 HydrophobicContact CG1-SD 3.95Å; V222-M285 HydrophobicContact CG2-CE 4.33Å; V222-M285 HydrophobicContact CG2-SD 4.11Å; V222-L289 HydrophobicContact CG1-CD1 3.42Å; V222-L289 VanDerWaalsContact CG1-CD1 3.42Å
223R70.7Confident71.2Confident92 Ų9252.6 Ų52.635%0.34725%0.253SS..Hα-helixtrans-57.2-28.2179.4-77.9177.8172150.95.9114K214 I219 R220 T221 L289 I348K214-R223 PolarHBondContact O-NH1 3.4Å; I219-R223 WeakPolarHBondContact O-CG 3.27Å; I219-R223 PolarHBondContact O-N 3.34Å; I219-R223 VanDerWaalsContact O-N 3.1Å; R220-R223 PolarHBondContact O-N 2.76Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.12Å; R223-L289 HydrophobicContact CG-CD2 4.12Å; R223-I348 PolarHBondContact NH2-O 3.23Å
224H69.1Low70.9Confident132 Ų13252.5 Ų52.561%0.61125%0.251SS*.Hα-helixtrans-81.1-34179-66.9-60.5000113.3R220 T221 V222R220-H224 PolarHBondContact O-CD2 2.95Å; T221-H224 PolarHBondContact O-N 3.03Å; T221-H224 VanDerWaalsContact O-N 3.12Å; V222-H224 PolarHBondContact O-N 3.24Å; V222-H224 VanDerWaalsContact O-N 3.12Å
225V66.9Low70.9Confident5 Ų547.1 Ų47.13%0.0323%0.23CC..Hα-helixtrans-88.5-17.5178.3-63.50000112.6C121 T221 V222 P227 L228C121-V225 HydrophobicContact CB-CG2 4.5Å; T221-V225 PolarHBondContact O-N 2.93Å; V222-V225 VanDerWaalsContact O-CG2 3.29Å; V222-V225 WeakPolarHBondContact O-CG2 3.46Å; V222-V225 PolarHBondContact O-N 3.36Å; V222-V225 VanDerWaalsContact O-N 3.16Å; V225-P227 VanDerWaalsContact C-CD 3.46Å; V225-L228 VanDerWaalsContact O-CB 3.27Å; V225-L228 WeakPolarHBondContact O-CB 3.37Å; V225-L228 PolarHBondContact O-N 3.3Å
226F67.1Low71.3Confident36 Ų3646.1 Ų46.116%0.15823%0.229CC..G310 helixtrans-50.2-44.8-178.1163.3-99.9000115.3V222 L228 G229 L289 G290 A291V222-F226 WeakPolarHBondContact O-CB 3.36Å; V222-F226 PolarHBondContact O-N 3.27Å; F226-L228 PolarHBondContact O-N 3.16Å; F226-G229 PolarHBondContact O-N 2.89Å; F226-L289 HydrophobicContact CB-CD1 4.47Å; F226-L289 HydrophobicContact CD2-CB 3.28Å; F226-L289 HydrophobicContact CD2-CD1 3.7Å; F226-L289 HydrophobicContact CD2-CD2 4.39Å; F226-L289 HydrophobicContact CD2-CG 3.99Å; F226-L289 HydrophobicContact CE2-CB 3.03Å; F226-L289 HydrophobicContact CE2-CD1 4.3Å; F226-L289 HydrophobicContact CE2-CG 4.21Å; F226-L289 HydrophobicContact CG-CB 4.08Å; F226-L289 HydrophobicContact CG-CD1 4.34Å; F226-L289 HydrophobicContact CZ-CB 3.74Å; F226-L289 WeakPolarHBondContact CZ-O 3.28Å; F226-G290 WeakPolarHBondContact CZ-O 3.41Å; F226-A291 HydrophobicContact CD2-CB 3.9Å; F226-A291 HydrophobicContact CE2-CB 3.34Å; F226-A291 VanDerWaalsContact CZ-CA 3.42Å; F226-A291 HydrophobicContact CZ-CB 4.18Å; F226-A291 VanDerWaalsContact CZ-N 3.26Å
227P63Low71.9Confident87 Ų8745.9 Ų45.957%0.56523%0.227SC*.G310 helixtrans-60.7-18179.4-2435.3000113.8V225 G229V225-P227 VanDerWaalsContact C-CD 3.46Å; P227-G229 VanDerWaalsContact C-N 3.33Å
228L64.6Low72.9Confident91 Ų9148.3 Ų48.348%0.47623%0.232SC..G310 helixtrans-86.5-2179.2-53.8172.8000112.9V225 F226 F230V225-L228 VanDerWaalsContact O-CB 3.27Å; V225-L228 WeakPolarHBondContact O-CB 3.37Å; V225-L228 PolarHBondContact O-N 3.3Å; F226-L228 PolarHBondContact O-N 3.16Å; L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 HydrophobicContact CB-CD2 3.36Å; L228-F230 HydrophobicContact CB-CE2 3.5Å; L228-F230 VanDerWaalsContact CB-CE2 3.5Å; L228-F230 HydrophobicContact CB-CG 4.42Å; L228-F230 HydrophobicContact CD1-CD2 4.1Å; L228-F230 HydrophobicContact CD1-CE2 4.06Å; L228-F230 HydrophobicContact CG-CD2 4.38Å; L228-F230 HydrophobicContact CG-CE2 4.37Å; L228-F230 PolarHBondContact O-N 2.97Å
229G61.8Low73.8Confident4 Ų447.1 Ų47.14%0.04123%0.227CC..THydrogen-bonded Turntrans77.78.8177.900000115.2F226 P227 C231 N232F226-G229 PolarHBondContact O-N 2.89Å; P227-G229 VanDerWaalsContact C-N 3.33Å; G229-C231 PolarHBondContact O-N 2.97Å; G229-N232 PolarHBondContact O-OD1 2.93Å
230F64.4Low74.7Confident70 Ų7048.7 Ų48.731%0.30723%0.233SC..  trans-82.646.3-175-64.9-60.1000114.5F124 L228 N232F124-F230 HydrophobicContact CB-CB 4.42Å; F124-F230 HydrophobicContact CB-CD1 4.09Å; F124-F230 HydrophobicContact CB-CD2 3.66Å; F124-F230 HydrophobicContact CB-CE1 4.26Å; F124-F230 HydrophobicContact CB-CE2 3.86Å; F124-F230 HydrophobicContact CB-CG 3.81Å; F124-F230 HydrophobicContact CB-CZ 4.16Å; F124-F230 AromaticContact CD1-CD1 3.61Å; F124-F230 HydrophobicContact CD1-CD1 3.61Å; F124-F230 AromaticContact CD1-CE1 3.31Å; F124-F230 HydrophobicContact CD1-CE1 3.31Å; F124-F230 HydrophobicContact CD1-CE2 4.27Å; F124-F230 HydrophobicContact CD1-CG 4.22Å; F124-F230 AromaticContact CD1-CZ 3.7Å; F124-F230 HydrophobicContact CD1-CZ 3.7Å; F124-F230 HydrophobicContact CD2-CD1 4.11Å; F124-F230 HydrophobicContact CD2-CG 4.31Å; F124-F230 HydrophobicContact CE1-CD1 4.05Å; F124-F230 AromaticContact CE1-CE1 3.76Å; F124-F230 HydrophobicContact CE1-CE1 3.76Å; F124-F230 HydrophobicContact CE1-CZ 4.49Å; F124-F230 HydrophobicContact CG-CB 4.45Å; F124-F230 AromaticContact CG-CD1 3.62Å; F124-F230 HydrophobicContact CG-CD1 3.62Å; F124-F230 HydrophobicContact CG-CD2 4.14Å; F124-F230 AromaticContact CG-CE1 3.8Å; F124-F230 HydrophobicContact CG-CE1 3.8Å; F124-F230 HydrophobicContact CG-CE2 4.3Å; F124-F230 AromaticContact CG-CG 3.83Å; F124-F230 HydrophobicContact CG-CG 3.83Å; F124-F230 HydrophobicContact CG-CZ 4.16Å; F124-F230 HydrophobicContact CZ-CD1 4.48Å; L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 HydrophobicContact CB-CD2 3.36Å; L228-F230 HydrophobicContact CB-CE2 3.5Å; L228-F230 VanDerWaalsContact CB-CE2 3.5Å; L228-F230 HydrophobicContact CB-CG 4.42Å; L228-F230 HydrophobicContact CD1-CD2 4.1Å; L228-F230 HydrophobicContact CD1-CE2 4.06Å; L228-F230 HydrophobicContact CG-CD2 4.38Å; L228-F230 HydrophobicContact CG-CE2 4.37Å; L228-F230 PolarHBondContact O-N 2.97Å; F230-N232 VanDerWaalsContact C-N 3.31Å; F230-N232 VanDerWaalsContact CA-OD1 3.32Å; F230-N232 WeakPolarHBondContact CA-OD1 3.4Å
231C72.1Confident75.5Confident7 Ų742.6 Ų42.65%0.04721%0.21CC..  trans-100.344.8172.3-68.70000111.2G229 M285 A286G229-C231 PolarHBondContact O-N 2.97Å; C231-M285 HydrophobicContact CB-CE 4.36Å; C231-A286 HydrophobicContact CB-CB 3.61Å
232N77.3Confident76.7Confident14 Ų1441.3 Ų41.38%0.07520%0.202CC..  trans-82.6157.4-171.5-68.272.8000113.2G229 F230 F296 S297 A299 I301G229-N232 PolarHBondContact O-OD1 2.93Å; F230-N232 VanDerWaalsContact C-N 3.31Å; F230-N232 VanDerWaalsContact CA-OD1 3.32Å; F230-N232 WeakPolarHBondContact CA-OD1 3.4Å; N232-F296 PolarHBondContact ND2-O 2.96Å; N232-S297 PolarHBondContact ND2-O 3.01Å; N232-A299 WeakPolarHBondContact CB-O 3.26Å; N232-A299 PolarHBondContact ND2-O 3.31Å; N232-I301 HydrophobicContact CB-CD1 3.97Å; N232-I301 HydrophobicContact CB-CG1 3.75Å
233P83.5Confident77.8Confident12 Ų1241.2 Ų41.28%0.07820%0.202CC..  trans-56.6144.8165.6-22.634.5000111.3V279 P300 I301P233-V279 HydrophobicContact CB-CB 4.3Å; P233-V279 HydrophobicContact CB-CG2 4.31Å; P233-V279 HydrophobicContact CG-CB 4.33Å; P233-V279 HydrophobicContact CG-CG2 3.85Å; P233-P300 HydrophobicContact CB-CB 4.28Å; P233-P300 CarbonylContact O-C 3.49Å; P233-P300 VanDerWaalsContact O-CA 3.27Å; P233-P300 WeakPolarHBondContact O-CA 3.21Å; P233-I301 PolarHBondContact O-N 3.09Å
234I82.6Confident78.9Confident5 Ų536.9 Ų36.93%0.02619%0.185CC..BIsolated β-bridgetrans-105.1126.8-178.5-67.3168000109.1M119 T236 G237 Q239 Q278 I301 F306 V318 L319M119-I234 HydrophobicContact CG-CD1 4.47Å; I234-T236 PolarHBondContact O-N 3.04Å; I234-G237 PolarHBondContact O-N 3.1Å; I234-Q239 PolarHBondContact O-NE2 3.19Å; I234-Q239 PolarHBondContact O-OE1 3.37Å; I234-Q278 HydrophobicContact CB-CG 4.46Å; I234-Q278 VanDerWaalsContact CG1-NE2 3.32Å; I234-Q278 VanDerWaalsContact N-CD 3.26Å; I234-I301 HydrophobicContact CG1-CD1 4.07Å; I234-F306 HydrophobicContact CB-CE2 4.18Å; I234-F306 HydrophobicContact CB-CZ 4.23Å; I234-F306 HydrophobicContact CD1-CZ 4.31Å; I234-F306 HydrophobicContact CG1-CE2 4.31Å; I234-F306 HydrophobicContact CG1-CZ 3.87Å; I234-F306 HydrophobicContact CG2-CD2 3.91Å; I234-F306 HydrophobicContact CG2-CE1 4.35Å; I234-F306 HydrophobicContact CG2-CE2 3.28Å; I234-F306 HydrophobicContact CG2-CZ 3.54Å; I234-V318 HydrophobicContact CD1-CG1 3.76Å; I234-V318 HydrophobicContact CG2-CB 4.48Å; I234-V318 HydrophobicContact CG2-CG1 3.63Å; I234-L319 HydrophobicContact CG2-CD2 3.92Å
235G83.8Confident80.2Confident9 Ų930.8 Ų30.89%0.09316%0.157CC..THydrogen-bonded Turntrans65.3-119.5-179.900000111.1G237 P300 I301 S303G235-G237 VanDerWaalsContact C-N 3.34Å; G235-P300 WeakPolarHBondContact O-CB 3.05Å; G235-I301 WeakPolarHBondContact CA-O 3.46Å; G235-I301 PolarHBondContact N-O 2.81Å; G235-S303 VanDerWaalsContact CA-OG 3.25Å; G235-S303 WeakPolarHBondContact CA-OG 3.41Å
236T84.1Confident81.5Confident95 Ų9530.8 Ų30.858%0.58316%0.157SC*.THydrogen-bonded Turntrans-81.8-16.5172.866.10000112.9I234 R238I234-T236 PolarHBondContact O-N 3.04Å; T236-R238 PolarHBondContact O-N 3.26Å; T236-R238 VanDerWaalsContact O-N 3.16Å; T236-R238 PolarHBondContact OG1-N 2.96Å
237G83.9Confident82.9Confident0 Ų031.7 Ų31.70%016%0.163CC..SBendtrans70.2-5.1-17100000114.5I234 G235 Q239 Q278 V279I234-G237 PolarHBondContact O-N 3.1Å; G235-G237 VanDerWaalsContact C-N 3.34Å; G237-Q239 VanDerWaalsContact CA-OE1 3.26Å; G237-Q278 PolarHBondContact O-N 2.84Å; G237-V279 WeakPolarHBondContact O-CG1 3.33Å; G237-V279 PolarHBondContact O-N 3.19Å
238R88.6Confident84.6Confident160 Ų16027.6 Ų27.660%0.60414%0.137SC*.  trans-83.9-15.8-175.8-63.1-177.2179.6-173.1-1113.2L166 T236 W240L166-R238 HydrophobicContact CD1-CB 4.48Å; L166-R238 HydrophobicContact CD2-CB 4.22Å; L166-R238 WeakPolarHBondContact CD2-O 3.36Å; T236-R238 PolarHBondContact O-N 3.26Å; T236-R238 VanDerWaalsContact O-N 3.16Å; T236-R238 PolarHBondContact OG1-N 2.96Å; R238-W240 PolarHBondContact O-N 2.8Å
239Q87.1Confident86.2Confident7 Ų723.3 Ų23.33%0.03311%0.114CC..SBendtrans-59.2135.5179.470.1-81.123.900110.3I234 G237 Q278 V318 L319I234-Q239 PolarHBondContact O-NE2 3.19Å; I234-Q239 PolarHBondContact O-OE1 3.37Å; G237-Q239 VanDerWaalsContact CA-OE1 3.26Å; Q239-Q278 HydrophobicContact CG-CB 3.94Å; Q239-Q278 PolarHBondContact O-N 3.06Å; Q239-V318 PolarHBondContact NE2-O 3.11Å; Q239-L319 WeakPolarHBondContact CB-O 3.41Å
240W89.9Confident87.9Confident33 Ų3323.5 Ų23.513%0.12512%0.115CC..EExtended strand (participates in β ladder)trans-73.7136.6179.3-72.4106.1000110.8Q117 L166 R238 P275 Q277 G321 Q322 R323Q117-W240 PolarHBondContact NE2-O 2.96Å; L166-W240 PolarHBondContact O-NE1 2.88Å; R238-W240 PolarHBondContact O-N 2.8Å; W240-P275 HydrophobicContact CE3-CB 4.44Å; W240-Q277 HydrophobicContact CD2-CG 4.19Å; W240-Q277 HydrophobicContact CE3-CG 4.01Å; W240-Q277 HydrophobicContact CH2-CG 4.08Å; W240-Q277 HydrophobicContact CZ2-CG 4.25Å; W240-Q277 HydrophobicContact CZ3-CG 3.96Å; W240-G321 CarbonylContact O-C 3.41Å; W240-G321 WeakPolarHBondContact O-CA 3.28Å; W240-Q322 PolarHBondContact O-N 2.96Å; W240-R323 HydrophobicContact CB-CB 3.91Å; W240-R323 HydrophobicContact CD2-CB 3.91Å; W240-R323 HydrophobicContact CD2-CG 3.94Å; W240-R323 HydrophobicContact CE3-CB 4.49Å; W240-R323 HydrophobicContact CE3-CG 4.1Å; W240-R323 HydrophobicContact CG-CB 3.61Å; W240-R323 HydrophobicContact CG-CG 4.19Å
241M88.5Confident89.5Confident6 Ų624.1 Ų24.13%0.0312%0.115CC..EExtended strand (participates in β ladder)trans-111.7114.8174-171.9179.617300109.2M119 V210 L212 W243 V276 F281M119-M241 HydrophobicContact CE-CE 3.57Å; M119-M241 HydrophobicContact CE-SD 4.05Å; V210-M241 HydrophobicContact CB-CE 3.62Å; V210-M241 HydrophobicContact CG1-CE 3.58Å; V210-M241 HydrophobicContact CG2-CE 3.85Å; L212-M241 HydrophobicContact CD2-CE 4.33Å; M241-W243 HydrophobicContact CE-CB 4.34Å; M241-V276 PolarHBondContact N-O 2.74Å; M241-V276 PolarHBondContact O-N 2.73Å; M241-F281 HydrophobicContact CE-CD2 4.2Å; M241-F281 HydrophobicContact CE-CE2 3.97Å; M241-F281 HydrophobicContact CE-CZ 4.17Å; M241-F281 HydrophobicContact SD-CB 4.17Å; M241-F281 HydrophobicContact SD-CD1 3.92Å; M241-F281 HydrophobicContact SD-CD2 3.65Å; M241-F281 HydrophobicContact SD-CE1 4.33Å; M241-F281 HydrophobicContact SD-CE2 4.02Å; M241-F281 HydrophobicContact SD-CG 3.59Å; M241-F281 VanDerWaalsContact SD-CG 3.59Å; M241-F281 HydrophobicContact SD-CZ 4.36Å
242S91.7Very high90.8Very high1 Ų123.8 Ų23.81%0.00711%0.113CC..  trans-92.6109.1172.4-69.50000109G209 V210 Q322 V324G209-S242 CarbonylContact C-O 3.5Å; G209-S242 VanDerWaalsContact CA-O 3.3Å; G209-S242 WeakPolarHBondContact CA-O 3.42Å; V210-S242 PolarHBondContact N-O 3.35Å; S242-Q322 PolarHBondContact OG-O 3.15Å; S242-V324 WeakPolarHBondContact OG-CB 3.27Å; S242-V324 PolarHBondContact OG-N 3.49Å
243W92.5Very high91.7Very high0 Ų023.1 Ų23.10%011%0.109CC..EExtended strand (participates in β ladder)trans-122163.1-170.863.4-85.5000110.5V210 L212 M241 T271 S272 K274 Y338 D340 I341 A344V210-W243 CarbonylContact O-C 3.56Å; V210-W243 VanDerWaalsContact O-CA 3.25Å; V210-W243 WeakPolarHBondContact O-CA 3.23Å; L212-W243 HydrophobicContact CD1-CB 4.15Å; L212-W243 HydrophobicContact CD1-CD2 3.98Å; L212-W243 HydrophobicContact CD1-CE3 3.52Å; L212-W243 HydrophobicContact CD1-CG 4.26Å; L212-W243 HydrophobicContact CD1-CZ3 4.27Å; L212-W243 HydrophobicContact CG-CB 4.27Å; L212-W243 HydrophobicContact CG-CE3 4.23Å; M241-W243 HydrophobicContact CE-CB 4.34Å; W243-T271 CarbonylContact O-C 3.4Å; W243-S272 WeakPolarHBondContact CZ2-OG 3.24Å; W243-S272 VanDerWaalsContact O-CB 3.31Å; W243-S272 WeakPolarHBondContact O-CB 3.49Å; W243-S272 PolarHBondContact O-N 3.3Å; W243-K274 PolarHBondContact NE1-O 3.48Å; W243-K274 VanDerWaalsContact NE1-O 3.07Å; W243-Y338 WeakPolarHBondContact CH2-O 3.41Å; W243-D340 WeakPolarHBondContact CH2-O 3.46Å; W243-I341 HydrophobicContact CD2-CD1 3.9Å; W243-I341 HydrophobicContact CE3-CD1 4.17Å; W243-I341 HydrophobicContact CG-CD1 4.41Å; W243-I341 HydrophobicContact CH2-CB 4.41Å; W243-I341 HydrophobicContact CH2-CD1 4.36Å; W243-I341 VanDerWaalsContact CZ2-CA 3.49Å; W243-I341 HydrophobicContact CZ2-CB 3.81Å; W243-I341 HydrophobicContact CZ2-CD1 4.09Å; W243-I341 VanDerWaalsContact CZ2-N 3.28Å; W243-I341 HydrophobicContact CZ3-CD1 4.39Å; W243-A344 HydrophobicContact CE3-CB 4.4Å; W243-A344 HydrophobicContact CH2-CB 3.79Å; W243-A344 HydrophobicContact CZ3-CB 3.45Å; W243-A344 VanDerWaalsContact CZ3-CB 3.45Å
244I94.7Very high92.4Very high0 Ų024.8 Ų24.80%012%0.116CC..EExtended strand (participates in β ladder)trans-147.3142171.1-170.9162.8000110.5T208 V210 V211 L212 D248 M249 I252 C270T208-I244 HydrophobicContact CG2-CG2 4.45Å; V210-I244 PolarHBondContact O-N 3.08Å; V211-I244 CarbonylContact C-O 3.1Å; V211-I244 WeakPolarHBondContact CA-O 3.32Å; V211-I244 HydrophobicContact CB-CG2 4.49Å; V211-I244 HydrophobicContact CG2-CG2 3.92Å; L212-I244 PolarHBondContact N-O 3.22Å; I244-D248 HydrophobicContact CD1-CB 4.25Å; I244-D248 HydrophobicContact CG1-CB 4.07Å; I244-M249 HydrophobicContact CD1-CB 4.28Å; I244-M249 HydrophobicContact CD1-SD 4.48Å; I244-M249 HydrophobicContact CG1-CB 4.49Å; I244-M249 HydrophobicContact CG2-CB 4.36Å; I244-I252 HydrophobicContact CD1-CD1 3.34Å; I244-C270 HydrophobicContact CD1-CB 4.24Å; I244-C270 WeakPolarHBondContact CG2-O 3.43Å
245H95.6Very high93.2Very high4 Ų426.3 Ų26.32%0.01912%0.122CC..EExtended strand (participates in β ladder)trans-72.9141.7171.3-169.4-86.5000110.8D247 D248 M249 Y338 A344 N347H245-D247 VanDerWaalsContact C-N 3.32Å; H245-D247 IonicContact CE1-OD1 3.69Å; H245-D247 IonicContact CE1-OD2 3.33Å; H245-D247 WeakPolarHBondContact ND1-CB 3.3Å; H245-D247 PolarHBondContact ND1-N 3.39Å; H245-D247 VanDerWaalsContact ND1-N 3.13Å; H245-D247 IonicContact ND1-OD1 2.77Å; H245-D247 PolarHBondContact O-N 3.39Å; H245-D248 PolarHBondContact O-N 2.97Å; H245-M249 PolarHBondContact O-N 3.42Å; H245-Y338 HydrophobicContact CB-CD2 3.72Å; H245-Y338 HydrophobicContact CB-CG 4.1Å; H245-Y338 AromaticContact CD2-CD2 3.95Å; H245-Y338 AromaticContact CE1-CD2 3.83Å; H245-Y338 AromaticContact CE1-CE2 3.48Å; H245-Y338 VanDerWaalsContact CE1-CE2 3.48Å; H245-Y338 WeakPolarHBondContact CE1-CE2 3.04Å; H245-Y338 AromaticContact CG-CD2 3.35Å; H245-Y338 AromaticContact CG-CE2 3.84Å; H245-Y338 AromaticContact CG-CG 3.89Å; H245-Y338 AromaticContact ND1-CD2 3.28Å; H245-Y338 VanDerWaalsContact ND1-CD2 3.28Å; H245-Y338 WeakPolarHBondContact ND1-CD2 3.5Å; H245-Y338 AromaticContact ND1-CE2 3.32Å; H245-Y338 VanDerWaalsContact ND1-CE2 3.32Å; H245-Y338 WeakPolarHBondContact ND1-CE2 3.37Å; H245-A344 HydrophobicContact CB-CB 4.44Å; H245-N347 PolarHBondContact CE1-OD1 3.43Å; H245-N347 PolarHBondContact NE2-OD1 2.94Å
246L95.5Very high93.8Very high6 Ų625.9 Ų25.93%0.03112%0.117CC..Hα-helixtrans-56.4-41.7-178176.561.7000113.5L11 I12 S15 V211 L212 S213 D248 M249 V250L11-L246 HydrophobicContact CD1-CD2 4.05Å; L11-L246 HydrophobicContact CG-CD1 4.49Å; L11-L246 HydrophobicContact CG-CD2 4.26Å; I12-L246 HydrophobicContact CB-CD1 4.44Å; I12-L246 HydrophobicContact CG1-CD1 4.12Å; S15-L246 WeakPolarHBondContact OG-CD2 3.43Å; V211-L246 HydrophobicContact CG1-CB 4.01Å; V211-L246 HydrophobicContact CG1-CD1 3.99Å; L212-L246 PolarHBondContact O-N 2.87Å; S213-L246 VanDerWaalsContact OG-CD2 3.27Å; S213-L246 WeakPolarHBondContact OG-CD2 3.45Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 2.95Å; L246-M249 WeakPolarHBondContact O-CB 3.39Å; L246-M249 PolarHBondContact O-N 3.1Å; L246-V250 HydrophobicContact CD1-CG2 4.38Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.47Å
247D96.7Very high94.4Very high55 Ų5521.4 Ų21.429%0.2949%0.09SC..Hα-helixtrans-56.8-45174.5-68.213.6000111.7H245 M249 V250 R251 K337 Y338H245-D247 VanDerWaalsContact C-N 3.32Å; H245-D247 IonicContact CE1-OD1 3.69Å; H245-D247 IonicContact CE1-OD2 3.33Å; H245-D247 WeakPolarHBondContact ND1-CB 3.3Å; H245-D247 PolarHBondContact ND1-N 3.39Å; H245-D247 VanDerWaalsContact ND1-N 3.13Å; H245-D247 IonicContact ND1-OD1 2.77Å; H245-D247 PolarHBondContact O-N 3.39Å; D247-M249 VanDerWaalsContact C-N 3.35Å; D247-V250 PolarHBondContact O-N 2.73Å; D247-R251 WeakPolarHBondContact O-CB 3.41Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.02Å; D247-K337 IonicContact OD2-NZ 2.75Å; D247-K337 PolarHBondContact OD2-NZ 2.75Å; D247-Y338 HydrophobicContact CB-CD2 4.35Å; D247-Y338 HydrophobicContact CB-CE2 3.81Å; D247-Y338 WeakPolarHBondContact OD2-CE2 3.4Å; D247-Y338 PolarHBondContact OD2-OH 3.03Å
248D98Very high95Very high1 Ų123.3 Ų23.31%0.00510%0.1CC..Hα-helixtrans-68.9-35.7178.8-77.8-37.8000111.5I244 H245 L246 V250 R251 I252 F336 K337 Y338I244-D248 HydrophobicContact CD1-CB 4.25Å; I244-D248 HydrophobicContact CG1-CB 4.07Å; H245-D248 PolarHBondContact O-N 2.97Å; L246-D248 VanDerWaalsContact C-N 3.32Å; L246-D248 PolarHBondContact O-N 2.95Å; D248-V250 VanDerWaalsContact C-N 3.35Å; D248-V250 PolarHBondContact O-N 3.01Å; D248-R251 PolarHBondContact O-N 2.73Å; D248-R251 IonicContact OD1-CZ 2.7Å; D248-R251 IonicContact OD1-NH1 3.59Å; D248-R251 PolarHBondContact OD1-NH1 3.15Å; D248-I252 WeakPolarHBondContact O-CB 3.38Å; D248-I252 WeakPolarHBondContact O-CG1 3.43Å; D248-I252 PolarHBondContact O-N 2.93Å; D248-F336 HydrophobicContact CB-CD1 4.25Å; D248-K337 WeakPolarHBondContact OD1-CB 3.3Å; D248-K337 PolarHBondContact OD1-N 3.12Å; D248-K337 PolarHBondContact OD2-N 3.34Å; D248-Y338 PolarHBondContact OD2-N 3.45Å
249M97.4Very high95.4Very high1 Ų117.8 Ų17.81%0.0058%0.082CC..Hα-helixtrans-58.8-45.9172.2-177.363.7-166.200111.7I12 L206 T208 I244 H245 L246 D247 I252 I253 C270I12-M249 HydrophobicContact CD1-CE 4.31Å; I12-M249 HydrophobicContact CD1-CG 4.12Å; I12-M249 HydrophobicContact CG1-CG 4.37Å; I12-M249 HydrophobicContact CG2-CG 3.96Å; L206-M249 HydrophobicContact CB-CE 4.34Å; L206-M249 HydrophobicContact CD1-CE 4.03Å; T208-M249 HydrophobicContact CG2-CE 4.12Å; T208-M249 HydrophobicContact CG2-SD 3.93Å; T208-M249 WeakPolarHBondContact OG1-CE 3.34Å; I244-M249 HydrophobicContact CD1-CB 4.28Å; I244-M249 HydrophobicContact CD1-SD 4.48Å; I244-M249 HydrophobicContact CG1-CB 4.49Å; I244-M249 HydrophobicContact CG2-CB 4.36Å; H245-M249 PolarHBondContact O-N 3.42Å; L246-M249 WeakPolarHBondContact O-CB 3.39Å; L246-M249 PolarHBondContact O-N 3.1Å; D247-M249 VanDerWaalsContact C-N 3.35Å; M249-I252 PolarHBondContact O-N 3.21Å; M249-I253 HydrophobicContact CE-CD1 3.95Å; M249-I253 HydrophobicContact CE-CG1 4.13Å; M249-I253 WeakPolarHBondContact O-CG1 3.45Å; M249-I253 PolarHBondContact O-N 2.91Å; M249-I253 VanDerWaalsContact O-N 3.14Å; M249-C270 HydrophobicContact CE-CB 4.16Å; M249-C270 HydrophobicContact SD-CB 3.5Å; M249-C270 WeakPolarHBondContact SD-CB 3.43Å
250V97.9Very high95.7Very high8 Ų826.4 Ų26.45%0.04812%0.122CC..Hα-helixtrans-64-46.6177.21720000110.8L16 L246 D247 D248 I252 I253 E254L16-V250 HydrophobicContact CB-CG1 4.5Å; L16-V250 HydrophobicContact CB-CG2 4.46Å; L16-V250 HydrophobicContact CD1-CG1 4.08Å; L246-V250 HydrophobicContact CD1-CG2 4.38Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.47Å; D247-V250 PolarHBondContact O-N 2.73Å; D248-V250 VanDerWaalsContact C-N 3.35Å; D248-V250 PolarHBondContact O-N 3.01Å; V250-I252 VanDerWaalsContact C-N 3.29Å; V250-I252 PolarHBondContact O-N 3.32Å; V250-I253 PolarHBondContact O-N 3.17Å; V250-I253 VanDerWaalsContact O-N 3.09Å; V250-E254 WeakPolarHBondContact O-CG 3.4Å; V250-E254 PolarHBondContact O-N 2.9Å
251R98.1Very high96Very high82 Ų8229 Ų2931%0.30913%0.132SC..Hα-helixtrans-60.4-37177.8-71.9173.469.3-131.4-0.4112.3D247 D248 E254 Y255 F334 E335D247-R251 WeakPolarHBondContact O-CB 3.41Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.45Å; D247-R251 PolarHBondContact O-N 3.02Å; D248-R251 PolarHBondContact O-N 2.73Å; D248-R251 IonicContact OD1-CZ 2.7Å; D248-R251 IonicContact OD1-NH1 3.59Å; D248-R251 PolarHBondContact OD1-NH1 3.15Å; R251-E254 PolarHBondContact O-N 3.2Å; R251-Y255 WeakPolarHBondContact O-CB 3.28Å; R251-Y255 PolarHBondContact O-N 3.25Å; R251-F334 HydrophobicContact CB-CE2 4.07Å; R251-F334 HydrophobicContact CB-CZ 3.82Å; R251-E335 PolarHBondContact NH1-O 3.22Å; R251-E335 PolarHBondContact NH2-O 3.48Å
252I98.4Very high96.2Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-62.8-47.2173.7-72.5166.2000110.3I244 D248 M249 V250 E254 Y255 V256 C270 L329 F334 F336I244-I252 HydrophobicContact CD1-CD1 3.34Å; D248-I252 WeakPolarHBondContact O-CB 3.38Å; D248-I252 WeakPolarHBondContact O-CG1 3.43Å; D248-I252 PolarHBondContact O-N 2.93Å; M249-I252 PolarHBondContact O-N 3.21Å; V250-I252 VanDerWaalsContact C-N 3.29Å; V250-I252 PolarHBondContact O-N 3.32Å; I252-E254 VanDerWaalsContact C-N 3.32Å; I252-E254 PolarHBondContact O-N 3.12Å; I252-Y255 PolarHBondContact O-N 3.14Å; I252-V256 HydrophobicContact CG2-CG1 4.39Å; I252-V256 WeakPolarHBondContact O-CG1 3.43Å; I252-V256 WeakPolarHBondContact O-CG2 3.27Å; I252-V256 PolarHBondContact O-N 3.4Å; I252-C270 HydrophobicContact CD1-CB 4.24Å; I252-L329 HydrophobicContact CD1-CD1 3.51Å; I252-L329 HydrophobicContact CG1-CD1 3.74Å; I252-L329 HydrophobicContact CG1-CD2 4.36Å; I252-L329 HydrophobicContact CG2-CD1 4Å; I252-L329 HydrophobicContact CG2-CD2 4.16Å; I252-F334 HydrophobicContact CB-CZ 4.46Å; I252-F334 HydrophobicContact CD1-CE1 4.33Å; I252-F334 HydrophobicContact CG1-CD1 4.29Å; I252-F334 HydrophobicContact CG1-CE1 3.67Å; I252-F334 HydrophobicContact CG1-CE2 3.97Å; I252-F334 HydrophobicContact CG1-CZ 3.49Å; I252-F334 VanDerWaalsContact CG1-CZ 3.49Å; I252-F336 HydrophobicContact CD1-CE1 4.12Å
253I98.3Very high96.4Very high1 Ų136.2 Ų36.21%0.00518%0.175CC..Hα-helixtrans-59.8-46.3179.7-63.2168.8000110.2I12 L16 V58 L60 L206 M249 V250 V256 S257I12-I253 HydrophobicContact CG2-CD1 3.68Å; L16-I253 HydrophobicContact CD1-CB 4.06Å; L16-I253 HydrophobicContact CD1-CG2 3.8Å; L16-I253 HydrophobicContact CD2-CB 4.44Å; L16-I253 HydrophobicContact CD2-CD1 4.05Å; L16-I253 HydrophobicContact CD2-CG2 3.69Å; L16-I253 HydrophobicContact CG-CG2 4.42Å; V58-I253 HydrophobicContact CG1-CG2 4Å; V58-I253 HydrophobicContact CG2-CG2 4.31Å; L60-I253 HydrophobicContact CD1-CD1 4.28Å; L60-I253 HydrophobicContact CD2-CD1 4.22Å; L206-I253 HydrophobicContact CD1-CD1 4.24Å; L206-I253 HydrophobicContact CD1-CG1 3.75Å; M249-I253 HydrophobicContact CE-CD1 3.95Å; M249-I253 HydrophobicContact CE-CG1 4.13Å; M249-I253 WeakPolarHBondContact O-CG1 3.45Å; M249-I253 PolarHBondContact O-N 2.91Å; M249-I253 VanDerWaalsContact O-N 3.14Å; V250-I253 PolarHBondContact O-N 3.17Å; V250-I253 VanDerWaalsContact O-N 3.09Å; I253-V256 WeakPolarHBondContact O-CG2 3.45Å; I253-S257 WeakPolarHBondContact O-CB 3.4Å; I253-S257 PolarHBondContact O-N 3.41Å; I253-S257 PolarHBondContact O-OG 3.33Å
254E98Very high96.4Very high47 Ų4740 Ų4022%0.2220%0.2CC..Hα-helixtrans-60.8-45.8176-68179.3164.800111.5L16 S19 L20 V250 R251 I252 V256 S257 D258L16-E254 HydrophobicContact CD1-CG 4.04Å; S19-E254 WeakPolarHBondContact CB-OE1 3.27Å; S19-E254 PolarHBondContact OG-OE1 2.93Å; L20-E254 HydrophobicContact CD2-CG 3.92Å; V250-E254 WeakPolarHBondContact O-CG 3.4Å; V250-E254 PolarHBondContact O-N 2.9Å; R251-E254 PolarHBondContact O-N 3.2Å; I252-E254 VanDerWaalsContact C-N 3.32Å; I252-E254 PolarHBondContact O-N 3.12Å; E254-V256 PolarHBondContact O-N 2.83Å; E254-S257 PolarHBondContact O-N 3.4Å; E254-D258 PolarHBondContact O-N 3.44Å
255Y97.9Very high96.4Very high37 Ų3742.9 Ų42.915%0.14522%0.22CC..Hα-helixtrans-60.4-44.4-179.6-174.8-87.5000112.9R251 I252 R261 F263 L329 A332 F334R251-Y255 WeakPolarHBondContact O-CB 3.28Å; R251-Y255 PolarHBondContact O-N 3.25Å; I252-Y255 PolarHBondContact O-N 3.14Å; Y255-R261 VanDerWaalsContact CE1-CD 3.47Å; Y255-R261 WeakPolarHBondContact O-CD 3.38Å; Y255-F263 HydrophobicContact CD1-CD2 4.37Å; Y255-F263 AromaticContact CE1-CD2 3.83Å; Y255-F263 HydrophobicContact CE1-CD2 3.83Å; Y255-F263 HydrophobicContact CE1-CE2 4.07Å; Y255-L329 HydrophobicContact CD1-CD2 4.37Å; Y255-A332 HydrophobicContact CE1-CB 4.17Å; Y255-A332 PolarHBondContact OH-O 3.47Å; Y255-F334 HydrophobicContact CD1-CD2 4.06Å; Y255-F334 AromaticContact CD2-CD2 3.66Å; Y255-F334 HydrophobicContact CD2-CD2 3.66Å; Y255-F334 HydrophobicContact CD2-CE2 4.28Å; Y255-F334 HydrophobicContact CE1-CB 4.47Å; Y255-F334 HydrophobicContact CE2-CD2 4.12Å; Y255-F334 AromaticContact CG-CD2 3.62Å; Y255-F334 HydrophobicContact CG-CD2 3.62Å; Y255-F334 HydrophobicContact CG-CE2 4.15Å
256V97.5Very high96.3Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-79.3-21179.1-56.10000112.9I109 R202 I204 L206 I252 I253 E254 F263 L329I109-V256 HydrophobicContact CG1-CG2 4.38Å; I109-V256 HydrophobicContact CG2-CG2 4.43Å; R202-V256 VanDerWaalsContact CD-O 3.3Å; R202-V256 WeakPolarHBondContact CD-O 3.35Å; R202-V256 PolarHBondContact NH1-O 3.13Å; I204-V256 HydrophobicContact CG1-CB 4.38Å; I204-V256 HydrophobicContact CG2-CG2 4.2Å; L206-V256 HydrophobicContact CD2-CG2 4.26Å; I252-V256 HydrophobicContact CG2-CG1 4.39Å; I252-V256 WeakPolarHBondContact O-CG1 3.43Å; I252-V256 WeakPolarHBondContact O-CG2 3.27Å; I252-V256 PolarHBondContact O-N 3.4Å; I253-V256 WeakPolarHBondContact O-CG2 3.45Å; E254-V256 PolarHBondContact O-N 2.83Å; V256-F263 HydrophobicContact CB-CD1 4.39Å; V256-F263 HydrophobicContact CG1-CD1 4.05Å; V256-F263 HydrophobicContact CG1-CE1 3.81Å; V256-F263 HydrophobicContact CG1-CE2 4.42Å; V256-F263 HydrophobicContact CG1-CG 4.48Å; V256-F263 HydrophobicContact CG1-CZ 3.99Å; V256-L329 HydrophobicContact CG1-CD2 4.37Å
257S96.8Very high96.2Very high1 Ų144.9 Ų44.91%0.00724%0.237CC..Hα-helixtrans-85.6-16.8177.9-57.20000113.5I109 I253 E254 L259I109-S257 VanDerWaalsContact CD1-OG 3.26Å; I109-S257 WeakPolarHBondContact CD1-OG 3.39Å; I253-S257 WeakPolarHBondContact O-CB 3.4Å; I253-S257 PolarHBondContact O-N 3.41Å; I253-S257 PolarHBondContact O-OG 3.33Å; E254-S257 PolarHBondContact O-N 3.4Å; S257-L259 PolarHBondContact O-N 2.87Å; S257-L259 VanDerWaalsContact O-N 3.09Å
258D96.6Very high96.1Very high39 Ų3942.2 Ų42.221%0.20922%0.223CC..  trans-61.5107175.7178.8-0.4000110.7R202 E254 E260 R261R202-D258 PolarHBondContact NH1-O 2.97Å; E254-D258 PolarHBondContact O-N 3.44Å; D258-E260 VanDerWaalsContact C-N 3.25Å; D258-E260 PolarHBondContact O-N 3.2Å; D258-E260 PolarHBondContact OD1-N 2.81Å; D258-E260 VanDerWaalsContact OD1-N 3.09Å; D258-R261 HydrophobicContact CB-CB 4.06Å; D258-R261 WeakPolarHBondContact O-CB 3.23Å; D258-R261 PolarHBondContact O-N 3.4Å; D258-R261 IonicContact OD2-CZ 2.73Å; D258-R261 IonicContact OD2-NE 3.85Å; D258-R261 PolarHBondContact OD2-NE 2.91Å; D258-R261 IonicContact OD2-NH2 2.94Å; D258-R261 PolarHBondContact OD2-NH2 3Å
259L95.5Very high96Very high45 Ų4542.2 Ų42.224%0.23622%0.223CC..THydrogen-bonded Turntrans-70.5-20.2-174.1-62.9179.2000113.3M1 D55 V56 K106 A107 S257 R261M1-L259 HydrophobicContact SD-CB 4.26Å; M1-L259 HydrophobicContact SD-CD1 3.75Å; M1-L259 HydrophobicContact SD-CG 3.8Å; D55-L259 HydrophobicContact CB-CD1 4.3Å; V56-L259 HydrophobicContact CG2-CD1 4.13Å; V56-L259 HydrophobicContact CG2-CD2 4.17Å; V56-L259 HydrophobicContact CG2-CG 4.18Å; K106-L259 HydrophobicContact CB-CD1 3.78Å; K106-L259 HydrophobicContact CB-CD2 3.8Å; K106-L259 HydrophobicContact CB-CG 4.46Å; K106-L259 HydrophobicContact CD-CD1 3.54Å; K106-L259 HydrophobicContact CG-CD1 4.31Å; A107-L259 HydrophobicContact CB-CD2 3.81Å; S257-L259 PolarHBondContact O-N 2.87Å; S257-L259 VanDerWaalsContact O-N 3.09Å; L259-R261 VanDerWaalsContact C-N 3.32Å
260E94.9Very high95.9Very high187 Ų18742.1 Ų42.187%0.87422%0.223SC*.THydrogen-bonded Turntrans-80-21176.7-61.4-176.3175.100111.5D258D258-E260 VanDerWaalsContact C-N 3.25Å; D258-E260 PolarHBondContact O-N 3.2Å; D258-E260 PolarHBondContact OD1-N 2.81Å; D258-E260 VanDerWaalsContact OD1-N 3.09Å
261R95.5Very high95.8Very high89 Ų8941.8 Ų41.834%0.33622%0.22SC..SBendtrans-80.6131.8179.6-171.9173.4-51.7-68.1-20.2111.9R202 Y255 D258 L259 F263R202-R261 PolarHBondContact NH1-O 3.08Å; R202-R261 PolarHBondContact NH2-O 2.93Å; Y255-R261 VanDerWaalsContact CE1-CD 3.47Å; Y255-R261 WeakPolarHBondContact O-CD 3.38Å; D258-R261 HydrophobicContact CB-CB 4.06Å; D258-R261 WeakPolarHBondContact O-CB 3.23Å; D258-R261 PolarHBondContact O-N 3.4Å; D258-R261 IonicContact OD2-CZ 2.73Å; D258-R261 IonicContact OD2-NE 3.85Å; D258-R261 PolarHBondContact OD2-NE 2.91Å; D258-R261 IonicContact OD2-NH2 2.94Å; D258-R261 PolarHBondContact OD2-NH2 3Å; L259-R261 VanDerWaalsContact C-N 3.32Å; R261-F263 PolarHBondContact O-N 2.99Å
262V92.9Very high95.8Very high147 Ų14738 Ų3889%0.89121%0.206SC*.  trans-76.1110.1168.7-177.90000109.3
263F95.7Very high95.7Very high11 Ų1139.4 Ų39.45%0.04822%0.216CC..  trans-141.5132.3175.5-167.5-88.7000110.2I204 Y255 V256 R261 V268 K328 L329 A332I204-F263 HydrophobicContact CD1-CD1 3.91Å; I204-F263 HydrophobicContact CD1-CE1 4Å; Y255-F263 HydrophobicContact CD1-CD2 4.37Å; Y255-F263 AromaticContact CE1-CD2 3.83Å; Y255-F263 HydrophobicContact CE1-CD2 3.83Å; Y255-F263 HydrophobicContact CE1-CE2 4.07Å; V256-F263 HydrophobicContact CB-CD1 4.39Å; V256-F263 HydrophobicContact CG1-CD1 4.05Å; V256-F263 HydrophobicContact CG1-CE1 3.81Å; V256-F263 HydrophobicContact CG1-CE2 4.42Å; V256-F263 HydrophobicContact CG1-CG 4.48Å; V256-F263 HydrophobicContact CG1-CZ 3.99Å; R261-F263 PolarHBondContact O-N 2.99Å; F263-V268 HydrophobicContact CE1-CG2 3.6Å; F263-V268 HydrophobicContact CZ-CG1 4.45Å; F263-V268 HydrophobicContact CZ-CG2 3.97Å; F263-K328 HydrophobicContact CZ-CB 4.16Å; F263-L329 HydrophobicContact CE2-CD2 4.15Å; F263-L329 HydrophobicContact CZ-CD2 4.16Å; F263-A332 HydrophobicContact CD2-CB 3.89Å; F263-A332 HydrophobicContact CE2-CB 3.72Å
264P93.2Very high95.6Very high79 Ų7944.3 Ų44.351%0.51324%0.237SC..  trans-72.3140.8-174.629.2-35.2000112.4I204I204-P264 WeakPolarHBondContact CD1-O 3.23Å
265S94.4Very high95.4Very high61 Ų6142.7 Ų42.743%0.42723%0.231SC..  trans-61167.9170.1-65.50000112.6Q203 K328Q203-S265 PolarHBondContact N-OG 3.35Å; Q203-S265 VanDerWaalsContact N-OG 3.1Å; Q203-S265 CarbonylContact O-C 3.52Å; Q203-S265 VanDerWaalsContact O-CA 3.3Å; Q203-S265 WeakPolarHBondContact O-CA 3.27Å; Q203-S265 VanDerWaalsContact O-CB 3.27Å; Q203-S265 WeakPolarHBondContact O-CB 3.38Å; S265-K328 PolarHBondContact O-NZ 3.22Å
266G93.2Very high95.2Very high21 Ų2141.8 Ų41.822%0.21623%0.229CC..EExtended strand (participates in β ladder)trans106.6-161.4176.400000113.5Q203 I204 Q205Q203-G266 PolarHBondContact O-N 3.23Å; I204-G266 WeakPolarHBondContact CA-O 3.43Å; Q205-G266 PolarHBondContact N-O 2.94Å
267P92.9Very high94.9Very high30 Ų3044.8 Ų44.820%0.19524%0.243CC..EExtended strand (participates in β ladder)trans-69.9146.2-178.628.4-34.4000111.4E172 Q205 K328E172-P267 HydrophobicContact CB-CG 4.43Å; Q205-P267 CarbonylContact O-C 3.59Å; Q205-P267 WeakPolarHBondContact O-CA 3.22Å; P267-K328 VanDerWaalsContact O-CD 3.27Å; P267-K328 WeakPolarHBondContact O-CD 3.29Å; P267-K328 VanDerWaalsContact O-CE 3.3Å; P267-K328 WeakPolarHBondContact O-CE 3.25Å; P267-K328 PolarHBondContact O-NZ 2.82Å
268V95.7Very high94.6Very high0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-135.6122.4175.4179.50000107.7I204 Q205 R207 F263 C270 K328 L329I204-V268 HydrophobicContact CD1-CG2 4.24Å; I204-V268 HydrophobicContact CG2-CB 4.26Å; I204-V268 HydrophobicContact CG2-CG2 3.74Å; Q205-V268 PolarHBondContact O-N 2.84Å; R207-V268 PolarHBondContact N-O 3.28Å; F263-V268 HydrophobicContact CE1-CG2 3.6Å; F263-V268 HydrophobicContact CZ-CG1 4.45Å; F263-V268 HydrophobicContact CZ-CG2 3.97Å; V268-C270 PolarHBondContact O-N 2.97Å; V268-K328 HydrophobicContact CG2-CD 4.45Å; V268-L329 HydrophobicContact CG1-CD1 3.9Å; V268-L329 HydrophobicContact CG1-CD2 4.18Å; V268-L329 HydrophobicContact CG1-CG 3.84Å
269N95.5Very high94.2Very high0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-77.8114.7174.1-69.6-34000108.8Y162 E172 T271 V324 I325 P326Y162-N269 PolarHBondContact OH-ND2 3.03Å; Y162-N269 PolarHBondContact OH-OD1 2.77Å; E172-N269 HydrophobicContact CG-CB 4.25Å; E172-N269 PolarHBondContact N-ND2 3.29Å; E172-N269 WeakPolarHBondContact OE1-CB 3.42Å; E172-N269 PolarHBondContact OE1-N 2.9Å; N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 PolarHBondContact O-N 2.89Å; N269-V324 HydrophobicContact CB-CG1 3.84Å; N269-V324 VanDerWaalsContact ND2-CG1 3.3Å; N269-V324 WeakPolarHBondContact ND2-CG1 3.04Å; N269-I325 PolarHBondContact ND2-O 2.82Å; N269-I325 VanDerWaalsContact ND2-O 3.12Å; N269-P326 VanDerWaalsContact O-CB 3.23Å; N269-P326 WeakPolarHBondContact O-CB 3.36Å
270C95.9Very high94Very high0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-92.972.1173.7-52.60000108.8R207 G209 I244 M249 I252 V268R207-C270 PolarHBondContact O-N 3.13Å; G209-C270 PolarHBondContact N-O 2.88Å; G209-C270 VanDerWaalsContact N-O 3.13Å; I244-C270 HydrophobicContact CD1-CB 4.24Å; I244-C270 WeakPolarHBondContact CG2-O 3.43Å; M249-C270 HydrophobicContact CE-CB 4.16Å; M249-C270 HydrophobicContact SD-CB 3.5Å; M249-C270 WeakPolarHBondContact SD-CB 3.43Å; I252-C270 HydrophobicContact CD1-CB 4.24Å; V268-C270 PolarHBondContact O-N 2.97Å
271T95.7Very high93.8Very high0 Ų037.8 Ų37.80%022%0.215CC..SBendtrans-128.2155.3176.762.60000109.8V114 W243 N269 V324 P326 F336V114-T271 HydrophobicContact CG1-CG2 3.81Å; W243-T271 CarbonylContact O-C 3.4Å; N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 PolarHBondContact O-N 2.89Å; T271-V324 HydrophobicContact CG2-CB 4.23Å; T271-V324 HydrophobicContact CG2-CG1 4.22Å; T271-V324 PolarHBondContact OG1-O 2.87Å; T271-P326 VanDerWaalsContact O-CG 3.31Å; T271-P326 WeakPolarHBondContact O-CG 3.39Å; T271-F336 VanDerWaalsContact O-CE1 3.28Å; T271-F336 WeakPolarHBondContact O-CE1 2.85Å; T271-F336 WeakPolarHBondContact O-CZ 3.37Å
272S96.7Very high93.3Very high2 Ų233.5 Ų33.51%0.01420%0.199CC..  trans-61.1144.3165.7167.80000109.3W243 K274 P339W243-S272 WeakPolarHBondContact CZ2-OG 3.24Å; W243-S272 VanDerWaalsContact O-CB 3.31Å; W243-S272 WeakPolarHBondContact O-CB 3.49Å; W243-S272 PolarHBondContact O-N 3.3Å; S272-K274 PolarHBondContact O-N 3.19Å; S272-K274 VanDerWaalsContact O-N 3.13Å; S272-K274 PolarHBondContact OG-N 3.28Å; S272-P339 PolarHBondContact OG-O 2.78Å
273P96.8Very high93Very high30 Ų3030.9 Ų30.920%0.19518%0.176CC..SBendtrans-66-11.9177.129.3-37000113.7P275 I325 P326 L330 F336 P339P273-P275 WeakPolarHBondContact O-CD 3.31Å; P273-I325 WeakPolarHBondContact O-CD1 3.47Å; P273-P326 HydrophobicContact CB-CG 4.3Å; P273-L330 HydrophobicContact CB-CD1 4.27Å; P273-L330 HydrophobicContact CB-CD2 4.11Å; P273-F336 HydrophobicContact CG-CD2 3.92Å; P273-F336 HydrophobicContact CG-CE2 4.23Å; P273-F336 HydrophobicContact CG-CG 4.21Å; P273-P339 HydrophobicContact CG-CB 3.91Å
274K95.8Very high92.8Very high104 Ų10430.6 Ų30.645%0.45218%0.175SC..SBendtrans-11878178.5-58.8-178.9-176.8176.40110.9W243 S272 P339 D340W243-K274 PolarHBondContact NE1-O 3.48Å; W243-K274 VanDerWaalsContact NE1-O 3.07Å; S272-K274 PolarHBondContact O-N 3.19Å; S272-K274 VanDerWaalsContact O-N 3.13Å; S272-K274 PolarHBondContact OG-N 3.28Å; K274-P339 WeakPolarHBondContact CB-O 3.06Å; K274-D340 IonicContact NZ-OD2 2.85Å; K274-D340 PolarHBondContact NZ-OD2 3.13Å
275P93.8Very high92.5Very high14 Ų1427.1 Ų27.19%0.09115%0.152CC..  trans-59.7147.2168.127.4-34.7000109.6W240 P273 R323 I325W240-P275 HydrophobicContact CE3-CB 4.44Å; P273-P275 WeakPolarHBondContact O-CD 3.31Å; P275-R323 HydrophobicContact CB-CG 4.2Å; P275-R323 HydrophobicContact CG-CG 3.55Å; P275-I325 VanDerWaalsContact CD-CD1 3.48Å; P275-I325 HydrophobicContact CG-CD1 3.77Å
276V93.5Very high91.9Very high17 Ų1724.6 Ų24.610%0.10314%0.135CC..EExtended strand (participates in β ladder)trans-121.7156.9-176.4-64.90000110.2M241 T280 F281 I341M241-V276 PolarHBondContact N-O 2.74Å; M241-V276 PolarHBondContact O-N 2.73Å; V276-T280 HydrophobicContact CB-CG2 4.43Å; V276-F281 HydrophobicContact CG2-CB 3.87Å; V276-F281 HydrophobicContact CG2-CD2 4.48Å; V276-I341 HydrophobicContact CG1-CB 4.19Å; V276-I341 HydrophobicContact CG1-CG2 4.01Å
277Q91.6Very high91.6Very high64 Ų6424.2 Ų24.230%0.29913%0.128SC..EExtended strand (participates in β ladder)trans-72.8152.1168.5-68.3-177-16.200110W240 V279 T280 F281W240-Q277 HydrophobicContact CD2-CG 4.19Å; W240-Q277 HydrophobicContact CE3-CG 4.01Å; W240-Q277 HydrophobicContact CH2-CG 4.08Å; W240-Q277 HydrophobicContact CZ2-CG 4.25Å; W240-Q277 HydrophobicContact CZ3-CG 3.96Å; Q277-V279 HydrophobicContact CB-CG1 4.01Å; Q277-V279 PolarHBondContact O-N 3.5Å; Q277-T280 WeakPolarHBondContact O-CB 3.47Å; Q277-T280 PolarHBondContact O-N 3.02Å; Q277-F281 PolarHBondContact O-N 2.89Å
278Q89.9Confident91.4Very high10 Ų1023 Ų235%0.04712%0.12CC..Hα-helixtrans-59.3-36-178.3-167.9-77-16.100111.9I234 G237 Q239 T280 F281 A282I234-Q278 HydrophobicContact CB-CG 4.46Å; I234-Q278 VanDerWaalsContact CG1-NE2 3.32Å; I234-Q278 VanDerWaalsContact N-CD 3.26Å; G237-Q278 PolarHBondContact O-N 2.84Å; Q239-Q278 HydrophobicContact CG-CB 3.94Å; Q239-Q278 PolarHBondContact O-N 3.06Å; Q278-T280 PolarHBondContact O-N 3.4Å; Q278-F281 PolarHBondContact O-N 3.42Å; Q278-A282 VanDerWaalsContact O-CB 3.28Å; Q278-A282 WeakPolarHBondContact O-CB 3.26Å; Q278-A282 PolarHBondContact O-N 3.37Å
279V89Confident90.8Very high56 Ų5624.4 Ų24.434%0.33913%0.127SC..Hα-helixtrans-59.7-44.5174.561.30000112P233 G237 Q277 A282 K283P233-V279 HydrophobicContact CB-CB 4.3Å; P233-V279 HydrophobicContact CB-CG2 4.31Å; P233-V279 HydrophobicContact CG-CB 4.33Å; P233-V279 HydrophobicContact CG-CG2 3.85Å; G237-V279 WeakPolarHBondContact O-CG1 3.33Å; G237-V279 PolarHBondContact O-N 3.19Å; Q277-V279 HydrophobicContact CB-CG1 4.01Å; Q277-V279 PolarHBondContact O-N 3.5Å; V279-A282 PolarHBondContact O-N 3.16Å; V279-K283 WeakPolarHBondContact O-CB 3.39Å; V279-K283 PolarHBondContact O-N 2.96Å
280T91.1Very high90.1Very high57 Ų5725.8 Ų25.835%0.3514%0.142SC..Hα-helixtrans-64.8-44.4176.8-520000110.5V276 Q277 Q278 A284V276-T280 HydrophobicContact CB-CG2 4.43Å; Q277-T280 WeakPolarHBondContact O-CB 3.47Å; Q277-T280 PolarHBondContact O-N 3.02Å; Q278-T280 PolarHBondContact O-N 3.4Å; T280-A284 VanDerWaalsContact O-CB 3.28Å; T280-A284 WeakPolarHBondContact O-CB 3.49Å; T280-A284 PolarHBondContact O-N 2.86Å
281F90.2Very high89Confident1 Ų126.4 Ų26.40%0.00415%0.147CC..Hα-helixtrans-60.5-47.8175.8177.4-86.8000111.9M119 L212 F218 M241 V276 Q277 Q278 K283 A284 M285 I341M119-F281 HydrophobicContact CE-CD1 3.83Å; M119-F281 HydrophobicContact CE-CE1 3.1Å; M119-F281 HydrophobicContact CE-CE2 4.44Å; M119-F281 HydrophobicContact CE-CZ 3.47Å; M119-F281 VanDerWaalsContact CE-CZ 3.47Å; M119-F281 HydrophobicContact SD-CD1 4.46Å; M119-F281 HydrophobicContact SD-CE1 4.16Å; L212-F281 HydrophobicContact CD1-CE2 3.97Å; L212-F281 HydrophobicContact CD2-CE2 4.07Å; L212-F281 HydrophobicContact CD2-CZ 4.31Å; F218-F281 HydrophobicContact CE1-CZ 4.03Å; F218-F281 HydrophobicContact CZ-CE1 4.31Å; F218-F281 HydrophobicContact CZ-CZ 4.28Å; M241-F281 HydrophobicContact CE-CD2 4.2Å; M241-F281 HydrophobicContact CE-CE2 3.97Å; M241-F281 HydrophobicContact CE-CZ 4.17Å; M241-F281 HydrophobicContact SD-CB 4.17Å; M241-F281 HydrophobicContact SD-CD1 3.92Å; M241-F281 HydrophobicContact SD-CD2 3.65Å; M241-F281 HydrophobicContact SD-CE1 4.33Å; M241-F281 HydrophobicContact SD-CE2 4.02Å; M241-F281 HydrophobicContact SD-CG 3.59Å; M241-F281 VanDerWaalsContact SD-CG 3.59Å; M241-F281 HydrophobicContact SD-CZ 4.36Å; V276-F281 HydrophobicContact CG2-CB 3.87Å; V276-F281 HydrophobicContact CG2-CD2 4.48Å; Q277-F281 PolarHBondContact O-N 2.89Å; Q278-F281 PolarHBondContact O-N 3.42Å; F281-K283 PolarHBondContact O-N 3.17Å; F281-A284 PolarHBondContact O-N 3.34Å; F281-M285 HydrophobicContact CE1-CB 4.2Å; F281-M285 HydrophobicContact CE1-CE 4.03Å; F281-M285 HydrophobicContact CE1-SD 3.61Å; F281-M285 HydrophobicContact CZ-CB 4.49Å; F281-M285 HydrophobicContact CZ-SD 3.88Å; F281-M285 VanDerWaalsContact O-CB 3.26Å; F281-M285 WeakPolarHBondContact O-CB 3.28Å; F281-M285 PolarHBondContact O-N 3.01Å; F281-I341 HydrophobicContact CD2-CD1 3.76Å; F281-I341 HydrophobicContact CD2-CG1 4.18Å; F281-I341 HydrophobicContact CE2-CD1 3.91Å
282A86Confident87.8Confident0 Ų029.4 Ų29.40%017%0.166CC..Hα-helixtrans-60.8-47.1-178.200000111.2Q278 V279 M285 A286Q278-A282 VanDerWaalsContact O-CB 3.28Å; Q278-A282 WeakPolarHBondContact O-CB 3.26Å; Q278-A282 PolarHBondContact O-N 3.37Å; V279-A282 PolarHBondContact O-N 3.16Å; A282-M285 PolarHBondContact O-N 3.17Å; A282-A286 WeakPolarHBondContact O-CB 3.08Å; A282-A286 PolarHBondContact O-N 2.71Å
283K87.3Confident86.3Confident91 Ų9134.9 Ų34.940%0.39619%0.193SC..Hα-helixtrans-60-51.7175.4-172.1-171.6179.3-157.40111.7V279 F281 M285 A286 E287 S355V279-K283 WeakPolarHBondContact O-CB 3.39Å; V279-K283 PolarHBondContact O-N 2.96Å; F281-K283 PolarHBondContact O-N 3.17Å; K283-M285 VanDerWaalsContact C-N 3.29Å; K283-M285 PolarHBondContact O-N 3.43Å; K283-A286 WeakPolarHBondContact O-CB 3.48Å; K283-A286 PolarHBondContact O-N 3.3Å; K283-E287 WeakPolarHBondContact CE-OE1 3.27Å; K283-E287 IonicContact NZ-OE1 3.98Å; K283-E287 WeakPolarHBondContact O-CG 3.25Å; K283-E287 PolarHBondContact O-N 2.77Å; K283-S355 PolarHBondContact NZ-O 3.01Å
284A89.9Confident84.8Confident5 Ų536.6 Ų36.64%0.04120%0.201CC..Hα-helixtrans-59.9-41.4-179.800000111.5T280 F281 E287 S288 L345 P353T280-A284 VanDerWaalsContact O-CB 3.28Å; T280-A284 WeakPolarHBondContact O-CB 3.49Å; T280-A284 PolarHBondContact O-N 2.86Å; F281-A284 PolarHBondContact O-N 3.34Å; A284-E287 PolarHBondContact O-N 2.95Å; A284-S288 WeakPolarHBondContact O-CB 3.24Å; A284-S288 PolarHBondContact O-N 3.42Å; A284-S288 PolarHBondContact O-OG 3.48Å; A284-L345 HydrophobicContact CB-CD1 3.55Å; A284-P353 HydrophobicContact CB-CB 3.94Å; A284-P353 HydrophobicContact CB-CG 4.06Å
285M86.9Confident83.2Confident6 Ų639 Ų393%0.0322%0.217CC..Hα-helixtrans-64.6-44176-173.717568.800112.1F218 V222 C231 F281 A282 K283 E287 S288 L289F218-M285 HydrophobicContact CE1-SD 4.24Å; F218-M285 HydrophobicContact CZ-CE 4.44Å; F218-M285 HydrophobicContact CZ-SD 3.75Å; V222-M285 HydrophobicContact CG1-CE 4.03Å; V222-M285 HydrophobicContact CG1-SD 3.95Å; V222-M285 HydrophobicContact CG2-CE 4.33Å; V222-M285 HydrophobicContact CG2-SD 4.11Å; C231-M285 HydrophobicContact CB-CE 4.36Å; F281-M285 HydrophobicContact CE1-CB 4.2Å; F281-M285 HydrophobicContact CE1-CE 4.03Å; F281-M285 HydrophobicContact CE1-SD 3.61Å; F281-M285 HydrophobicContact CZ-CB 4.49Å; F281-M285 HydrophobicContact CZ-SD 3.88Å; F281-M285 VanDerWaalsContact O-CB 3.26Å; F281-M285 WeakPolarHBondContact O-CB 3.28Å; F281-M285 PolarHBondContact O-N 3.01Å; A282-M285 PolarHBondContact O-N 3.17Å; K283-M285 VanDerWaalsContact C-N 3.29Å; K283-M285 PolarHBondContact O-N 3.43Å; M285-E287 VanDerWaalsContact C-N 3.33Å; M285-E287 PolarHBondContact O-N 2.87Å; M285-S288 PolarHBondContact O-N 3.44Å; M285-L289 HydrophobicContact CG-CD1 3.75Å; M285-L289 WeakPolarHBondContact O-CB 3.39Å; M285-L289 WeakPolarHBondContact O-CD1 3.16Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 2.93Å
286A83.2Confident81.8Confident8 Ų844.7 Ų44.77%0.06624%0.24CC..Hα-helixtrans-59.1-44.8176.700000111.3C231 A282 K283 G290 A291C231-A286 HydrophobicContact CB-CB 3.61Å; A282-A286 WeakPolarHBondContact O-CB 3.08Å; A282-A286 PolarHBondContact O-N 2.71Å; K283-A286 WeakPolarHBondContact O-CB 3.48Å; K283-A286 PolarHBondContact O-N 3.3Å; A286-G290 PolarHBondContact O-N 3.28Å; A286-A291 HydrophobicContact CB-CB 4.12Å; A286-A291 PolarHBondContact O-N 3.43Å
287E86.6Confident80.5Confident14 Ų1444.6 Ų44.67%0.06524%0.241CC..Hα-helixtrans-66.5-44.7178.7-70.7178.4167.600112.6K283 A284 M285 L289 G290 R351 P353 R354K283-E287 WeakPolarHBondContact CE-OE1 3.27Å; K283-E287 IonicContact NZ-OE1 3.98Å; K283-E287 WeakPolarHBondContact O-CG 3.25Å; K283-E287 PolarHBondContact O-N 2.77Å; A284-E287 PolarHBondContact O-N 2.95Å; M285-E287 VanDerWaalsContact C-N 3.33Å; M285-E287 PolarHBondContact O-N 2.87Å; E287-L289 PolarHBondContact O-N 3.42Å; E287-G290 PolarHBondContact O-N 2.92Å; E287-G290 VanDerWaalsContact O-N 3.15Å; E287-R351 VanDerWaalsContact O-CD 3.29Å; E287-R351 WeakPolarHBondContact O-CD 3.27Å; E287-R351 PolarHBondContact O-NE 3.01Å; E287-P353 HydrophobicContact CB-CB 4.01Å; E287-P353 WeakPolarHBondContact OE2-CA 3.37Å; E287-P353 VanDerWaalsContact OE2-CB 3.32Å; E287-P353 WeakPolarHBondContact OE2-CB 3.48Å; E287-R354 PolarHBondContact OE2-N 3.26Å
288S88.2Confident79.4Confident3 Ų347.4 Ų47.42%0.02126%0.257CS..Hα-helixtrans-65.6-35.2177.9-75.90000113.1A284 M285 G290 L345 R351 P353A284-S288 WeakPolarHBondContact O-CB 3.24Å; A284-S288 PolarHBondContact O-N 3.42Å; A284-S288 PolarHBondContact O-OG 3.48Å; M285-S288 PolarHBondContact O-N 3.44Å; S288-G290 VanDerWaalsContact C-N 3.34Å; S288-L345 WeakPolarHBondContact OG-CB 3.39Å; S288-R351 WeakPolarHBondContact CA-O 3.46Å; S288-R351 VanDerWaalsContact CB-O 3.31Å; S288-R351 WeakPolarHBondContact CB-O 3.25Å; S288-R351 WeakPolarHBondContact O-CB 3.18Å; S288-R351 PolarHBondContact OG-O 2.74Å; S288-P353 WeakPolarHBondContact OG-CD 3.21Å
289L82.8Confident78.9Confident30 Ų3049 Ų4916%0.15727%0.273CS..Hα-helixtrans-76.5-25.5173.6-70.6159.8000112.1V222 R223 F226 M285 E287 F349V222-L289 HydrophobicContact CG1-CD1 3.42Å; V222-L289 VanDerWaalsContact CG1-CD1 3.42Å; R223-L289 HydrophobicContact CG-CD2 4.12Å; F226-L289 HydrophobicContact CB-CD1 4.47Å; F226-L289 HydrophobicContact CD2-CB 3.28Å; F226-L289 HydrophobicContact CD2-CD1 3.7Å; F226-L289 HydrophobicContact CD2-CD2 4.39Å; F226-L289 HydrophobicContact CD2-CG 3.99Å; F226-L289 HydrophobicContact CE2-CB 3.03Å; F226-L289 HydrophobicContact CE2-CD1 4.3Å; F226-L289 HydrophobicContact CE2-CG 4.21Å; F226-L289 HydrophobicContact CG-CB 4.08Å; F226-L289 HydrophobicContact CG-CD1 4.34Å; F226-L289 HydrophobicContact CZ-CB 3.74Å; F226-L289 WeakPolarHBondContact CZ-O 3.28Å; M285-L289 HydrophobicContact CG-CD1 3.75Å; M285-L289 WeakPolarHBondContact O-CB 3.39Å; M285-L289 WeakPolarHBondContact O-CD1 3.16Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 2.93Å; E287-L289 PolarHBondContact O-N 3.42Å; L289-F349 HydrophobicContact CD1-CZ 4.4Å; L289-F349 HydrophobicContact CD2-CD1 3.56Å; L289-F349 HydrophobicContact CD2-CE1 3.2Å; L289-F349 HydrophobicContact CD2-CE2 4.47Å; L289-F349 HydrophobicContact CD2-CG 4.34Å; L289-F349 HydrophobicContact CD2-CZ 3.68Å; L289-F349 HydrophobicContact CG-CD1 4.2Å; L289-F349 HydrophobicContact CG-CE1 3.92Å; L289-F349 HydrophobicContact CG-CE2 4.33Å; L289-F349 HydrophobicContact CG-CZ 3.93Å
290G80.5Confident78.6Confident30 Ų3049.7 Ų49.731%0.30928%0.278SS..THydrogen-bonded Turntrans87.235.6-177.300000114.5F226 A286 E287 S288F226-G290 WeakPolarHBondContact CZ-O 3.41Å; A286-G290 PolarHBondContact O-N 3.28Å; E287-G290 PolarHBondContact O-N 2.92Å; E287-G290 VanDerWaalsContact O-N 3.15Å; S288-G290 VanDerWaalsContact C-N 3.34Å
291A74.3Confident78.1Confident12 Ų1247.5 Ų47.510%0.09926%0.264CS..  trans-63.3147.3-170.700000109.4F226 A286 M293F226-A291 HydrophobicContact CD2-CB 3.9Å; F226-A291 HydrophobicContact CE2-CB 3.34Å; F226-A291 VanDerWaalsContact CZ-CA 3.42Å; F226-A291 HydrophobicContact CZ-CB 4.18Å; F226-A291 VanDerWaalsContact CZ-N 3.26Å; A286-A291 HydrophobicContact CB-CB 4.12Å; A286-A291 PolarHBondContact O-N 3.43Å; A291-M293 PolarHBondContact O-N 3.32Å
292P69.3Low77.9Confident64 Ų6450.2 Ų50.242%0.41628%0.282SS..  trans-60.3106167.424.8-30.4000108.2N294P292-N294 VanDerWaalsContact C-N 3.27Å; P292-N294 PolarHBondContact O-N 2.89Å
293M64.8Low77.7Confident116 Ų11652.5 Ų52.557%0.57130%0.298SS*.  trans-72.288.9170.7-61.6-156.8-53.400107.3A291A291-M293 PolarHBondContact O-N 3.32Å
294N65.6Low77.6Confident67 Ų6754.6 Ų54.636%0.35831%0.307SS..  trans-98.3171.2172.962.930.1000109.3P292 F296 S297P292-N294 VanDerWaalsContact C-N 3.27Å; P292-N294 PolarHBondContact O-N 2.89Å; N294-F296 PolarHBondContact O-N 3.28Å; N294-F296 WeakPolarHBondContact OD1-CA 3.34Å; N294-F296 WeakPolarHBondContact OD1-CB 3.42Å; N294-F296 PolarHBondContact OD1-N 3.46Å; N294-S297 PolarHBondContact O-N 3.28Å; N294-S297 PolarHBondContact O-OG 3.01Å; N294-S297 PolarHBondContact OD1-N 3.09Å; N294-S297 VanDerWaalsContact OD1-N 3.15Å
295I61.8Low77.2Confident153 Ų15355.7 Ų55.779%0.78531%0.312SS*.THydrogen-bonded Turntrans-55.2-18.5179.661.8169.2000113.9
296F66Low76.8Confident134 Ų13455.4 Ų55.459%0.58831%0.311SS*.THydrogen-bonded Turntrans-87-18.1177.8-60.7-73.6000112.7N232 N294 D298 A299N232-F296 PolarHBondContact ND2-O 2.96Å; N294-F296 PolarHBondContact O-N 3.28Å; N294-F296 WeakPolarHBondContact OD1-CA 3.34Å; N294-F296 WeakPolarHBondContact OD1-CB 3.42Å; N294-F296 PolarHBondContact OD1-N 3.46Å; F296-D298 PolarHBondContact O-N 3.21Å; F296-D298 VanDerWaalsContact O-N 3.11Å; F296-A299 VanDerWaalsContact O-CB 3.3Å; F296-A299 WeakPolarHBondContact O-CB 3.38Å; F296-A299 PolarHBondContact O-N 2.85Å
297S65.3Low76.5Confident16 Ų1657.2 Ų57.211%0.11232%0.321CS..THydrogen-bonded Turntrans-60.4-27.5-172.459.30000114.2N232 N294N232-S297 PolarHBondContact ND2-O 3.01Å; N294-S297 PolarHBondContact O-N 3.28Å; N294-S297 PolarHBondContact O-OG 3.01Å; N294-S297 PolarHBondContact OD1-N 3.09Å; N294-S297 VanDerWaalsContact OD1-N 3.15Å
298D69.7Low75.9Confident122 Ų12262.9 Ų62.965%0.65235%0.351SS*.THydrogen-bonded Turntrans-93.6-11178.2-62.3-22.5000112.9F296 P300F296-D298 PolarHBondContact O-N 3.21Å; F296-D298 VanDerWaalsContact O-N 3.11Å; D298-P300 VanDerWaalsContact O-CD 3.29Å; D298-P300 WeakPolarHBondContact O-CD 3.33Å
299A78Confident74.9Confident44 Ų4465 Ų6536%0.36436%0.362SS..SBendtrans-70116.5-178.900000109.4N232 F296 I301N232-A299 WeakPolarHBondContact CB-O 3.26Å; N232-A299 PolarHBondContact ND2-O 3.31Å; F296-A299 VanDerWaalsContact O-CB 3.3Å; F296-A299 WeakPolarHBondContact O-CB 3.38Å; F296-A299 PolarHBondContact O-N 2.85Å; A299-I301 PolarHBondContact O-N 3.45Å
300P82.5Confident74.2Confident70 Ų7065.4 Ų65.446%0.45536%0.364SS..  trans-65139.4-179.323.9-31.5000110.8P233 G235 D298 P302P233-P300 HydrophobicContact CB-CB 4.28Å; P233-P300 CarbonylContact O-C 3.49Å; P233-P300 VanDerWaalsContact O-CA 3.27Å; P233-P300 WeakPolarHBondContact O-CA 3.21Å; G235-P300 WeakPolarHBondContact O-CB 3.05Å; D298-P300 VanDerWaalsContact O-CD 3.29Å; D298-P300 WeakPolarHBondContact O-CD 3.33Å; P300-P302 WeakPolarHBondContact O-CD 3.41Å
301I82.1Confident73.6Confident11 Ų1165.4 Ų65.46%0.05636%0.364CS..BIsolated β-bridgetrans-67.8114.8171.8-56.3165.9000107.4F124 N232 P233 I234 G235 A299 S303 L305 F306F124-I301 HydrophobicContact CD2-CD1 4.19Å; F124-I301 HydrophobicContact CE2-CB 4.13Å; F124-I301 HydrophobicContact CE2-CD1 3.49Å; F124-I301 VanDerWaalsContact CE2-CD1 3.49Å; F124-I301 HydrophobicContact CE2-CG1 3.47Å; F124-I301 VanDerWaalsContact CE2-CG1 3.47Å; F124-I301 HydrophobicContact CE2-CG2 3.54Å; F124-I301 HydrophobicContact CZ-CB 4.38Å; F124-I301 HydrophobicContact CZ-CD1 4.37Å; F124-I301 HydrophobicContact CZ-CG1 3.87Å; F124-I301 HydrophobicContact CZ-CG2 3.81Å; N232-I301 HydrophobicContact CB-CD1 3.97Å; N232-I301 HydrophobicContact CB-CG1 3.75Å; P233-I301 PolarHBondContact O-N 3.09Å; I234-I301 HydrophobicContact CG1-CD1 4.07Å; G235-I301 WeakPolarHBondContact CA-O 3.46Å; G235-I301 PolarHBondContact N-O 2.81Å; A299-I301 PolarHBondContact O-N 3.45Å; I301-S303 PolarHBondContact O-N 2.79Å; I301-L305 HydrophobicContact CG2-CB 4.48Å; I301-L305 HydrophobicContact CG2-CD1 3.9Å; I301-F306 HydrophobicContact CB-CE2 3.78Å; I301-F306 HydrophobicContact CB-CZ 4.01Å; I301-F306 HydrophobicContact CD1-CZ 4.17Å; I301-F306 HydrophobicContact CG2-CD2 4.3Å; I301-F306 HydrophobicContact CG2-CE2 3.32Å; I301-F306 HydrophobicContact CG2-CZ 3.52Å
302P84.9Confident73.4Confident59 Ų5974.3 Ų74.338%0.38340%0.395SS..  trans-58.9137-174.5-27.936.4000113P300 F304 L305P300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-F304 HydrophobicContact CB-CD1 3.38Å; P302-F304 HydrophobicContact CB-CE1 3.31Å; P302-F304 HydrophobicContact CB-CG 4.46Å; P302-F304 HydrophobicContact CB-CZ 4.36Å; P302-F304 HydrophobicContact CG-CD1 4.42Å; P302-F304 HydrophobicContact CG-CE1 3.88Å; P302-F304 PolarHBondContact O-N 3.13Å; P302-F304 VanDerWaalsContact O-N 3.08Å; P302-L305 HydrophobicContact CG-CD1 4.49Å; P302-L305 WeakPolarHBondContact O-CB 3.32Å; P302-L305 PolarHBondContact O-N 3.48Å
303S82.8Confident73.1Confident48 Ų4873.8 Ų73.834%0.33639%0.389SS..Hα-helixtrans-55.1-31.6-178.3-54.60000113.8G235 I301 L305 F306 T307G235-S303 VanDerWaalsContact CA-OG 3.25Å; G235-S303 WeakPolarHBondContact CA-OG 3.41Å; I301-S303 PolarHBondContact O-N 2.79Å; S303-L305 PolarHBondContact O-N 2.88Å; S303-F306 PolarHBondContact O-N 2.63Å; S303-T307 PolarHBondContact O-N 2.97Å; S303-T307 VanDerWaalsContact O-N 3.09Å; S303-T307 PolarHBondContact O-OG1 2.7Å
304F84.1Confident73.2Confident134 Ų13470.5 Ų70.559%0.58837%0.37SS*.Hα-helixtrans-64.1-26.8179.682.3-96.6000112.5P302 T307 L308P302-F304 HydrophobicContact CB-CD1 3.38Å; P302-F304 HydrophobicContact CB-CE1 3.31Å; P302-F304 HydrophobicContact CB-CG 4.46Å; P302-F304 HydrophobicContact CB-CZ 4.36Å; P302-F304 HydrophobicContact CG-CD1 4.42Å; P302-F304 HydrophobicContact CG-CE1 3.88Å; P302-F304 PolarHBondContact O-N 3.13Å; P302-F304 VanDerWaalsContact O-N 3.08Å; F304-T307 PolarHBondContact O-N 3.34Å; F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.08Å
305L81.9Confident73.5Confident28 Ų2867.3 Ų67.315%0.14735%0.353CS..Hα-helixtrans-66.9-42.5176.9-67.2178.2000111.1F124 I301 P302 S303 T307 L308 L309F124-L305 HydrophobicContact CZ-CD1 4.32Å; I301-L305 HydrophobicContact CG2-CB 4.48Å; I301-L305 HydrophobicContact CG2-CD1 3.9Å; P302-L305 HydrophobicContact CG-CD1 4.49Å; P302-L305 WeakPolarHBondContact O-CB 3.32Å; P302-L305 PolarHBondContact O-N 3.48Å; S303-L305 PolarHBondContact O-N 2.88Å; L305-T307 VanDerWaalsContact C-N 3.32Å; L305-L308 PolarHBondContact O-N 2.81Å; L305-L309 WeakPolarHBondContact O-CB 3.46Å; L305-L309 WeakPolarHBondContact O-CD1 3.35Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.15Å
306F78.9Confident73.9Confident0 Ų061.5 Ų61.50%033%0.325CS..Hα-helixtrans-67.1-37.1174.1-61.3-74.7000111.3A120 V123 I234 I301 S303 L308 L309 L310 A315 V318 L319A120-F306 HydrophobicContact CB-CD1 3.72Å; A120-F306 HydrophobicContact CB-CE1 3.43Å; A120-F306 VanDerWaalsContact CB-CE1 3.43Å; V123-F306 HydrophobicContact CB-CE1 4.34Å; V123-F306 HydrophobicContact CG2-CD1 4.02Å; V123-F306 HydrophobicContact CG2-CE1 3.88Å; I234-F306 HydrophobicContact CB-CE2 4.18Å; I234-F306 HydrophobicContact CB-CZ 4.23Å; I234-F306 HydrophobicContact CD1-CZ 4.31Å; I234-F306 HydrophobicContact CG1-CE2 4.31Å; I234-F306 HydrophobicContact CG1-CZ 3.87Å; I234-F306 HydrophobicContact CG2-CD2 3.91Å; I234-F306 HydrophobicContact CG2-CE1 4.35Å; I234-F306 HydrophobicContact CG2-CE2 3.28Å; I234-F306 HydrophobicContact CG2-CZ 3.54Å; I301-F306 HydrophobicContact CB-CE2 3.78Å; I301-F306 HydrophobicContact CB-CZ 4.01Å; I301-F306 HydrophobicContact CD1-CZ 4.17Å; I301-F306 HydrophobicContact CG2-CD2 4.3Å; I301-F306 HydrophobicContact CG2-CE2 3.32Å; I301-F306 HydrophobicContact CG2-CZ 3.52Å; S303-F306 PolarHBondContact O-N 2.63Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 3.28Å; F306-L309 PolarHBondContact O-N 3.24Å; F306-L310 HydrophobicContact CD1-CD1 4.38Å; F306-L310 WeakPolarHBondContact O-CA 3.41Å; F306-L310 VanDerWaalsContact O-CB 3.23Å; F306-L310 WeakPolarHBondContact O-CB 3.31Å; F306-L310 PolarHBondContact O-N 3.42Å; F306-A315 HydrophobicContact CB-CB 4.01Å; F306-V318 HydrophobicContact CD1-CB 4.48Å; F306-V318 HydrophobicContact CD1-CG1 4.3Å; F306-V318 HydrophobicContact CD1-CG2 4.42Å; F306-V318 HydrophobicContact CE1-CG1 4.21Å; F306-L319 HydrophobicContact CB-CD1 4.36Å; F306-L319 HydrophobicContact CB-CG 4.43Å; F306-L319 HydrophobicContact CD2-CD2 3.86Å; F306-L319 HydrophobicContact CG-CD2 4.46Å
307T76.5Confident74Confident47 Ų4756.2 Ų56.229%0.28830%0.303SS..Hα-helixtrans-64.1-37.5173.9-58.20000112.2S303 F304 L305 G311 R312S303-T307 PolarHBondContact O-N 2.97Å; S303-T307 VanDerWaalsContact O-N 3.09Å; S303-T307 PolarHBondContact O-OG1 2.7Å; F304-T307 PolarHBondContact O-N 3.34Å; L305-T307 VanDerWaalsContact C-N 3.32Å; T307-G311 CarbonylContact O-C 3.37Å; T307-G311 WeakPolarHBondContact O-CA 3.4Å; T307-G311 PolarHBondContact O-N 3.24Å; T307-R312 HydrophobicContact CG2-CB 4.39Å; T307-R312 HydrophobicContact CG2-CG 3.52Å
308L74.2Confident74.3Confident133 Ų13356.1 Ų56.170%0.69630%0.301SS*.Hα-helixtrans-70.6-42.2177.7-177.865.8000111.8F304 L305 F306F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 2.81Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 3.28Å
309L66.8Low74.7Confident46 Ų4651.8 Ų51.824%0.24128%0.278CS..Hα-helixtrans-84.9-37.7-173.3-68.5166.3000113F73 V123 L305 F306F73-L309 WeakPolarHBondContact CE1-O 3.49Å; F73-L309 WeakPolarHBondContact CZ-O 3.42Å; V123-L309 HydrophobicContact CB-CD1 3.71Å; V123-L309 HydrophobicContact CG1-CD1 3.11Å; V123-L309 HydrophobicContact CG2-CB 4.48Å; V123-L309 HydrophobicContact CG2-CD1 3.54Å; L305-L309 WeakPolarHBondContact O-CB 3.46Å; L305-L309 WeakPolarHBondContact O-CD1 3.35Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.15Å; F306-L309 PolarHBondContact O-N 3.24Å
310L67.8Low74.6Confident39 Ų3951.6 Ų51.620%0.20427%0.271CS..Hα-helixtrans-102.2-15.4-178.9-51.2177.6000110.6A120 F306 R314 V318A120-L310 HydrophobicContact CB-CD1 4.37Å; F306-L310 HydrophobicContact CD1-CD1 4.38Å; F306-L310 WeakPolarHBondContact O-CA 3.41Å; F306-L310 VanDerWaalsContact O-CB 3.23Å; F306-L310 WeakPolarHBondContact O-CB 3.31Å; F306-L310 PolarHBondContact O-N 3.42Å; L310-R314 HydrophobicContact CB-CB 3.74Å; L310-R314 WeakPolarHBondContact O-CB 3.15Å; L310-R314 PolarHBondContact O-NE 3.48Å; L310-R314 PolarHBondContact O-NH2 2.77Å; L310-V318 HydrophobicContact CD1-CG2 3.68Å
311G68.4Low74.4Confident30 Ų3048.4 Ų48.431%0.30925%0.251SS..  trans79.5160.4-166.200000111T307 D313 R314 A315T307-G311 CarbonylContact O-C 3.37Å; T307-G311 WeakPolarHBondContact O-CA 3.4Å; T307-G311 PolarHBondContact O-N 3.24Å; G311-D313 VanDerWaalsContact C-N 3.32Å; G311-D313 PolarHBondContact O-N 2.76Å; G311-R314 PolarHBondContact O-N 2.94Å; G311-A315 VanDerWaalsContact O-CB 3.3Å; G311-A315 WeakPolarHBondContact O-CB 3.4Å; G311-A315 PolarHBondContact O-N 3.43Å
312R69.5Low74.5Confident200 Ų20048 Ų4876%0.75525%0.249SC*.Hα-helixtrans-55.3-46.9-174-71.7-178.8-179-174.50.5112.3T307 R314 A315T307-R312 HydrophobicContact CG2-CB 4.39Å; T307-R312 HydrophobicContact CG2-CG 3.52Å; R312-R314 PolarHBondContact O-N 3.15Å; R312-A315 PolarHBondContact O-N 3.16Å
313D63.6Low74.8Confident52 Ų5249.2 Ų49.228%0.27825%0.246SC..Hα-helixtrans-74.8-29.6-169.6-41-24.5000112.2L156 Y158 G311 T316L156-D313 VanDerWaalsContact C-CG 3.43Å; L156-D313 WeakPolarHBondContact CA-OD2 3.46Å; L156-D313 WeakPolarHBondContact CB-OD2 3.44Å; L156-D313 WeakPolarHBondContact CD2-OD2 3.35Å; L156-D313 WeakPolarHBondContact O-CB 3.42Å; Y158-D313 HydrophobicContact CD2-CB 3.9Å; Y158-D313 VanDerWaalsContact CD2-O 3.24Å; Y158-D313 WeakPolarHBondContact CD2-O 3.47Å; Y158-D313 HydrophobicContact CE2-CB 4.04Å; G311-D313 VanDerWaalsContact C-N 3.32Å; G311-D313 PolarHBondContact O-N 2.76Å; D313-T316 PolarHBondContact O-OG1 3.42Å
314R67.3Low75.2Confident47 Ų4747 Ų4718%0.17723%0.23CC..Hα-helixtrans-88.4-21.6176.6-62.4-174.5-64.7-175.31.3112.1F72 L310 G311 R312 T316 L317F72-R314 PolarHBondContact O-NH1 2.81Å; L310-R314 HydrophobicContact CB-CB 3.74Å; L310-R314 WeakPolarHBondContact O-CB 3.15Å; L310-R314 PolarHBondContact O-NE 3.48Å; L310-R314 PolarHBondContact O-NH2 2.77Å; G311-R314 PolarHBondContact O-N 2.94Å; R312-R314 PolarHBondContact O-N 3.15Å; R314-T316 PolarHBondContact O-N 2.97Å; R314-L317 HydrophobicContact CB-CD1 4.17Å; R314-L317 VanDerWaalsContact O-CB 3.26Å; R314-L317 WeakPolarHBondContact O-CB 3.4Å; R314-L317 VanDerWaalsContact O-CG 3.28Å; R314-L317 WeakPolarHBondContact O-CG 3.36Å; R314-L317 PolarHBondContact O-N 3.04Å
315A71.7Confident75.7Confident1 Ų141.5 Ų41.51%0.00821%0.206CC..Hα-helixtrans-64.8-31.1176.700000111.8F306 G311 R312 L317 V318 L319F306-A315 HydrophobicContact CB-CB 4.01Å; G311-A315 VanDerWaalsContact O-CB 3.3Å; G311-A315 WeakPolarHBondContact O-CB 3.4Å; G311-A315 PolarHBondContact O-N 3.43Å; R312-A315 PolarHBondContact O-N 3.16Å; A315-L317 PolarHBondContact O-N 3.35Å; A315-V318 PolarHBondContact O-N 3.19Å; A315-L319 HydrophobicContact CB-CD1 3.8Å; A315-L319 WeakPolarHBondContact O-CB 3.23Å; A315-L319 VanDerWaalsContact O-CG 3.27Å; A315-L319 WeakPolarHBondContact O-CG 3.37Å; A315-L319 PolarHBondContact O-N 3.1Å
316T71Confident76.4Confident30 Ų3040.1 Ų40.118%0.18420%0.199CC..Hα-helixtrans-59.1-29.517562.20000112.4Y158 D313 R314 V318 L319 D320Y158-T316 WeakPolarHBondContact O-CB 2.97Å; Y158-T316 PolarHBondContact O-OG1 3.16Å; D313-T316 PolarHBondContact O-OG1 3.42Å; R314-T316 PolarHBondContact O-N 2.97Å; T316-V318 PolarHBondContact O-N 3.23Å; T316-L319 PolarHBondContact O-N 3.21Å; T316-D320 WeakPolarHBondContact CB-OD2 3.46Å; T316-D320 VanDerWaalsContact O-CB 3.23Å; T316-D320 WeakPolarHBondContact O-CB 3.36Å; T316-D320 PolarHBondContact O-N 3.5Å
317L66.4Low77.2Confident24 Ų2445.4 Ų45.413%0.12622%0.219CC..Hα-helixtrans-60.2-16.5174.9-53171.7000113.4F116 Q117 V118 Y158 R314 A315F116-L317 HydrophobicContact CB-CD2 3.29Å; F116-L317 HydrophobicContact CD1-CD2 3.96Å; F116-L317 HydrophobicContact CG-CD2 3.7Å; Q117-L317 CarbonylContact C-O 3.49Å; Q117-L317 VanDerWaalsContact CA-O 3.24Å; Q117-L317 WeakPolarHBondContact CA-O 3.41Å; V118-L317 PolarHBondContact N-O 3.06Å; Y158-L317 HydrophobicContact CD1-CD2 4.2Å; Y158-L317 HydrophobicContact CG-CD2 4.16Å; R314-L317 HydrophobicContact CB-CD1 4.17Å; R314-L317 VanDerWaalsContact O-CB 3.26Å; R314-L317 WeakPolarHBondContact O-CB 3.4Å; R314-L317 VanDerWaalsContact O-CG 3.28Å; R314-L317 WeakPolarHBondContact O-CG 3.36Å; R314-L317 PolarHBondContact O-N 3.04Å; A315-L317 PolarHBondContact O-N 3.35Å
318V72.1Confident78.2Confident13 Ų1345.6 Ų45.68%0.07922%0.216CC..Hα-helixtrans-117.4-35.7-178.7-160.40000111.2V118 A120 I234 Q239 F306 L310 A315 T316V118-V318 WeakPolarHBondContact O-CG2 3.3Å; A120-V318 HydrophobicContact CB-CB 4.43Å; A120-V318 HydrophobicContact CB-CG1 3.82Å; A120-V318 HydrophobicContact CB-CG2 3.73Å; I234-V318 HydrophobicContact CD1-CG1 3.76Å; I234-V318 HydrophobicContact CG2-CB 4.48Å; I234-V318 HydrophobicContact CG2-CG1 3.63Å; Q239-V318 PolarHBondContact NE2-O 3.11Å; F306-V318 HydrophobicContact CD1-CB 4.48Å; F306-V318 HydrophobicContact CD1-CG1 4.3Å; F306-V318 HydrophobicContact CD1-CG2 4.42Å; F306-V318 HydrophobicContact CE1-CG1 4.21Å; L310-V318 HydrophobicContact CD1-CG2 3.68Å; A315-V318 PolarHBondContact O-N 3.19Å; T316-V318 PolarHBondContact O-N 3.23Å
319L77.7Confident79.3Confident31 Ų3139.2 Ų39.216%0.16218%0.183CC..Hα-helixtrans-85.8-23.4-173.9-64.4175.8000113I234 Q239 F306 A315 T316I234-L319 HydrophobicContact CG2-CD2 3.92Å; Q239-L319 WeakPolarHBondContact CB-O 3.41Å; F306-L319 HydrophobicContact CB-CD1 4.36Å; F306-L319 HydrophobicContact CB-CG 4.43Å; F306-L319 HydrophobicContact CD2-CD2 3.86Å; F306-L319 HydrophobicContact CG-CD2 4.46Å; A315-L319 HydrophobicContact CB-CD1 3.8Å; A315-L319 WeakPolarHBondContact O-CB 3.23Å; A315-L319 VanDerWaalsContact O-CG 3.27Å; A315-L319 WeakPolarHBondContact O-CG 3.37Å; A315-L319 PolarHBondContact O-N 3.1Å; T316-L319 PolarHBondContact O-N 3.21Å
320D76.9Confident80.8Confident41 Ų4140.1 Ų40.122%0.21919%0.187CC..  trans-103.4161.2-179.5-66-7.4000111.2Q117 Q159 P164 T316Q117-D320 PolarHBondContact NE2-O 3.47Å; Q159-D320 PolarHBondContact NE2-OD2 3.04Å; P164-D320 HydrophobicContact CB-CB 3.67Å; P164-D320 HydrophobicContact CG-CB 3.8Å; T316-D320 WeakPolarHBondContact CB-OD2 3.46Å; T316-D320 VanDerWaalsContact O-CB 3.23Å; T316-D320 WeakPolarHBondContact O-CB 3.36Å; T316-D320 PolarHBondContact O-N 3.5Å
321G78.8Confident82.1Confident3 Ų344.1 Ų44.13%0.03121%0.209CC..  trans-168157.7-179.300000115.4P164 W240P164-G321 VanDerWaalsContact CA-O 3.25Å; P164-G321 WeakPolarHBondContact CA-O 3.4Å; P164-G321 WeakPolarHBondContact CB-O 3.17Å; W240-G321 CarbonylContact O-C 3.41Å; W240-G321 WeakPolarHBondContact O-CA 3.28Å
322Q83.6Confident83.5Confident2 Ų244.6 Ų44.61%0.00921%0.21CC..  trans-119.2138.5-175.5-58.4818.300110.1Y162 W240 S242 V324Y162-Q322 WeakPolarHBondContact O-CG 3.29Å; Y162-Q322 PolarHBondContact O-NE2 2.97Å; W240-Q322 PolarHBondContact O-N 2.96Å; S242-Q322 PolarHBondContact OG-O 3.15Å; Q322-V324 HydrophobicContact CB-CG2 3.66Å
323R90.5Very high84.8Confident85 Ų8537.5 Ų37.532%0.32120%0.199SC..EExtended strand (participates in β ladder)trans-92.4101168-169.2178.9173-175.2-2109.1T169 Y170 W240 P275T169-R323 WeakPolarHBondContact CA-O 3Å; T169-R323 HydrophobicContact CG2-CG 4.3Å; T169-R323 WeakPolarHBondContact OG1-CD 3.34Å; T169-R323 PolarHBondContact OG1-NE 3.39Å; Y170-R323 PolarHBondContact N-O 3.06Å; W240-R323 HydrophobicContact CB-CB 3.91Å; W240-R323 HydrophobicContact CD2-CB 3.91Å; W240-R323 HydrophobicContact CD2-CG 3.94Å; W240-R323 HydrophobicContact CE3-CB 4.49Å; W240-R323 HydrophobicContact CE3-CG 4.1Å; W240-R323 HydrophobicContact CG-CB 3.61Å; W240-R323 HydrophobicContact CG-CG 4.19Å; P275-R323 HydrophobicContact CB-CG 4.2Å; P275-R323 HydrophobicContact CG-CG 3.55Å
324V91.6Very high86.4Confident0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-117.9128.8-172.8-1750000110.9V114 Y162 Y170 S242 N269 T271 Q322V114-V324 HydrophobicContact CB-CG1 4.42Å; V114-V324 HydrophobicContact CB-CG2 4.1Å; V114-V324 HydrophobicContact CG1-CB 4.4Å; V114-V324 HydrophobicContact CG1-CG1 3.89Å; V114-V324 HydrophobicContact CG1-CG2 4.44Å; V114-V324 HydrophobicContact CG2-CG2 4.44Å; Y162-V324 HydrophobicContact CD2-CG1 4.23Å; Y162-V324 HydrophobicContact CD2-CG2 3.49Å; Y162-V324 VanDerWaalsContact CD2-CG2 3.49Å; Y162-V324 HydrophobicContact CE2-CB 4.43Å; Y162-V324 HydrophobicContact CE2-CG1 3.68Å; Y162-V324 HydrophobicContact CE2-CG2 3.84Å; Y162-V324 HydrophobicContact CG-CG2 4.42Å; Y170-V324 WeakPolarHBondContact O-CA 3.39Å; S242-V324 WeakPolarHBondContact OG-CB 3.27Å; S242-V324 PolarHBondContact OG-N 3.49Å; N269-V324 HydrophobicContact CB-CG1 3.84Å; N269-V324 VanDerWaalsContact ND2-CG1 3.3Å; N269-V324 WeakPolarHBondContact ND2-CG1 3.04Å; T271-V324 HydrophobicContact CG2-CB 4.23Å; T271-V324 HydrophobicContact CG2-CG1 4.22Å; T271-V324 PolarHBondContact OG1-O 2.87Å; Q322-V324 HydrophobicContact CB-CG2 3.66Å
325I94.4Very high87.8Confident19 Ų1940.7 Ų40.710%0.09721%0.214CC..  trans-111.2136.9-178.3-58.5-63.3000110T169 Y170 N269 P273 P275 R327 L330T169-I325 HydrophobicContact CG2-CB 4.37Å; T169-I325 HydrophobicContact CG2-CD1 4.37Å; T169-I325 HydrophobicContact CG2-CG1 3.36Å; Y170-I325 PolarHBondContact O-N 3.12Å; N269-I325 PolarHBondContact ND2-O 2.82Å; N269-I325 VanDerWaalsContact ND2-O 3.12Å; P273-I325 WeakPolarHBondContact O-CD1 3.47Å; P275-I325 VanDerWaalsContact CD-CD1 3.48Å; P275-I325 HydrophobicContact CG-CD1 3.77Å; I325-R327 VanDerWaalsContact C-N 3.27Å; I325-R327 PolarHBondContact O-N 3.23Å; I325-L330 HydrophobicContact CG2-CD1 3.87Å
326P96.7Very high89.1Confident0 Ų041.9 Ų41.90%022%0.219CC..  trans-82.163179.337.4-40000111.9N269 T271 P273 K328 L329 L330 F336N269-P326 VanDerWaalsContact O-CB 3.23Å; N269-P326 WeakPolarHBondContact O-CB 3.36Å; T271-P326 VanDerWaalsContact O-CG 3.31Å; T271-P326 WeakPolarHBondContact O-CG 3.39Å; P273-P326 HydrophobicContact CB-CG 4.3Å; P326-K328 VanDerWaalsContact C-N 3.32Å; P326-K328 PolarHBondContact O-N 3.25Å; P326-L329 HydrophobicContact CB-CB 4.23Å; P326-L329 HydrophobicContact CB-CD1 4.03Å; P326-L329 PolarHBondContact O-N 2.97Å; P326-L330 HydrophobicContact CG-CD1 4.27Å; P326-L330 HydrophobicContact CG-CG 4.21Å; P326-L330 WeakPolarHBondContact O-CG 3.43Å; P326-L330 PolarHBondContact O-N 2.96Å; P326-F336 HydrophobicContact CB-CZ 4.04Å; P326-F336 HydrophobicContact CG-CE2 4.05Å; P326-F336 HydrophobicContact CG-CZ 3.62Å
327R96.8Very high90.3Very high111 Ų11145.8 Ų45.842%0.41923%0.233SC..Hα-helixtrans-59.5-40.8-170-178.864.666.3-166.60.3112.1D171 E172 I325 L329 L330 N331D171-R327 HydrophobicContact CB-CB 3.72Å; D171-R327 IonicContact OD2-NE 3.81Å; E172-R327 WeakPolarHBondContact OE2-CB 3.48Å; E172-R327 PolarHBondContact OE2-N 3.37Å; E172-R327 VanDerWaalsContact OE2-N 3.08Å; I325-R327 VanDerWaalsContact C-N 3.27Å; I325-R327 PolarHBondContact O-N 3.23Å; R327-L329 PolarHBondContact O-N 3.31Å; R327-L330 PolarHBondContact O-N 2.95Å; R327-N331 WeakPolarHBondContact CD-OD1 3.36Å; R327-N331 WeakPolarHBondContact O-CB 3.28Å; R327-N331 PolarHBondContact O-N 3.11Å; R327-N331 PolarHBondContact O-OD1 2.94Å
328K96.8Very high91.8Very high50 Ų5045.7 Ų45.722%0.21723%0.232CC..Hα-helixtrans-62.5-42.3178.4-75.8-168.9-179.3176.90112.6E172 F263 S265 P267 V268 P326 A332E172-K328 HydrophobicContact CB-CD 4.33Å; E172-K328 HydrophobicContact CB-CG 4.28Å; E172-K328 HydrophobicContact CG-CD 4.28Å; E172-K328 HydrophobicContact CG-CG 4.22Å; E172-K328 PolarHBondContact OE2-N 2.86Å; F263-K328 HydrophobicContact CZ-CB 4.16Å; S265-K328 PolarHBondContact O-NZ 3.22Å; P267-K328 VanDerWaalsContact O-CD 3.27Å; P267-K328 WeakPolarHBondContact O-CD 3.29Å; P267-K328 VanDerWaalsContact O-CE 3.3Å; P267-K328 WeakPolarHBondContact O-CE 3.25Å; P267-K328 PolarHBondContact O-NZ 2.82Å; V268-K328 HydrophobicContact CG2-CD 4.45Å; P326-K328 VanDerWaalsContact C-N 3.32Å; P326-K328 PolarHBondContact O-N 3.25Å; K328-A332 VanDerWaalsContact O-CB 3.31Å; K328-A332 WeakPolarHBondContact O-CB 3.43Å; K328-A332 PolarHBondContact O-N 2.83Å
329L97.5Very high92.9Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-67.8-42.7178.5-70168.7000111.3I252 Y255 V256 F263 V268 P326 R327 A332 G333 F334 F336I252-L329 HydrophobicContact CD1-CD1 3.51Å; I252-L329 HydrophobicContact CG1-CD1 3.74Å; I252-L329 HydrophobicContact CG1-CD2 4.36Å; I252-L329 HydrophobicContact CG2-CD1 4Å; I252-L329 HydrophobicContact CG2-CD2 4.16Å; Y255-L329 HydrophobicContact CD1-CD2 4.37Å; V256-L329 HydrophobicContact CG1-CD2 4.37Å; F263-L329 HydrophobicContact CE2-CD2 4.15Å; F263-L329 HydrophobicContact CZ-CD2 4.16Å; V268-L329 HydrophobicContact CG1-CD1 3.9Å; V268-L329 HydrophobicContact CG1-CD2 4.18Å; V268-L329 HydrophobicContact CG1-CG 3.84Å; P326-L329 HydrophobicContact CB-CB 4.23Å; P326-L329 HydrophobicContact CB-CD1 4.03Å; P326-L329 PolarHBondContact O-N 2.97Å; R327-L329 PolarHBondContact O-N 3.31Å; L329-A332 PolarHBondContact O-N 3.18Å; L329-G333 PolarHBondContact O-N 3.42Å; L329-F334 HydrophobicContact CB-CB 3.96Å; L329-F334 HydrophobicContact CB-CG 4.45Å; L329-F334 HydrophobicContact CD2-CB 4.16Å; L329-F334 HydrophobicContact CD2-CG 4.23Å; L329-F334 WeakPolarHBondContact O-CB 3.48Å; L329-F334 PolarHBondContact O-N 3.25Å; L329-F336 HydrophobicContact CB-CZ 4.44Å; L329-F336 HydrophobicContact CD1-CZ 4.25Å
330L97.2Very high93.8Very high64 Ų6447.4 Ų47.434%0.33524%0.243SC..Hα-helixtrans-61.7-45.6176-68.2173.4000111.9P273 I325 P326 R327 A332 G333 F336P273-L330 HydrophobicContact CB-CD1 4.27Å; P273-L330 HydrophobicContact CB-CD2 4.11Å; I325-L330 HydrophobicContact CG2-CD1 3.87Å; P326-L330 HydrophobicContact CG-CD1 4.27Å; P326-L330 HydrophobicContact CG-CG 4.21Å; P326-L330 WeakPolarHBondContact O-CG 3.43Å; P326-L330 PolarHBondContact O-N 2.96Å; R327-L330 PolarHBondContact O-N 2.95Å; L330-A332 VanDerWaalsContact C-N 3.26Å; L330-A332 PolarHBondContact O-N 3.29Å; L330-G333 PolarHBondContact O-N 3.14Å; L330-G333 VanDerWaalsContact O-N 3.07Å; L330-F336 HydrophobicContact CD2-CD2 4.47Å; L330-F336 HydrophobicContact CD2-CE2 4.02Å
331N96.6Very high94.6Very high123 Ų12346 Ų4666%0.65824%0.235SC*.Hα-helixtrans-66.5-29.2178.1-69.6-1.8000112.4R327 G333R327-N331 WeakPolarHBondContact CD-OD1 3.36Å; R327-N331 WeakPolarHBondContact O-CB 3.28Å; R327-N331 PolarHBondContact O-N 3.11Å; R327-N331 PolarHBondContact O-OD1 2.94Å; N331-G333 VanDerWaalsContact C-N 3.25Å; N331-G333 PolarHBondContact O-N 2.92Å
332A96.5Very high95.4Very high40 Ų4046.5 Ų46.533%0.33124%0.239SC..THydrogen-bonded Turntrans-78.9-5.7174.500000113.4Y255 F263 K328 L329 L330Y255-A332 HydrophobicContact CE1-CB 4.17Å; Y255-A332 PolarHBondContact OH-O 3.47Å; F263-A332 HydrophobicContact CD2-CB 3.89Å; F263-A332 HydrophobicContact CE2-CB 3.72Å; K328-A332 VanDerWaalsContact O-CB 3.31Å; K328-A332 WeakPolarHBondContact O-CB 3.43Å; K328-A332 PolarHBondContact O-N 2.83Å; L329-A332 PolarHBondContact O-N 3.18Å; L330-A332 VanDerWaalsContact C-N 3.26Å; L330-A332 PolarHBondContact O-N 3.29Å
333G96.3Very high95.9Very high51 Ų5148.6 Ų48.653%0.52625%0.25SC..THydrogen-bonded Turntrans76.227.7-177.800000113.7L329 L330 N331 E335L329-G333 PolarHBondContact O-N 3.42Å; L330-G333 PolarHBondContact O-N 3.14Å; L330-G333 VanDerWaalsContact O-N 3.07Å; N331-G333 VanDerWaalsContact C-N 3.25Å; N331-G333 PolarHBondContact O-N 2.92Å; G333-E335 PolarHBondContact O-N 2.57Å
334F97.6Very high96.1Very high11 Ų1144.5 Ų44.55%0.04824%0.235CC..  trans-67.8121171.8-179.1-93.1000110.6R251 I252 Y255 L329 F336R251-F334 HydrophobicContact CB-CE2 4.07Å; R251-F334 HydrophobicContact CB-CZ 3.82Å; I252-F334 HydrophobicContact CB-CZ 4.46Å; I252-F334 HydrophobicContact CD1-CE1 4.33Å; I252-F334 HydrophobicContact CG1-CD1 4.29Å; I252-F334 HydrophobicContact CG1-CE1 3.67Å; I252-F334 HydrophobicContact CG1-CE2 3.97Å; I252-F334 HydrophobicContact CG1-CZ 3.49Å; I252-F334 VanDerWaalsContact CG1-CZ 3.49Å; Y255-F334 HydrophobicContact CD1-CD2 4.06Å; Y255-F334 AromaticContact CD2-CD2 3.66Å; Y255-F334 HydrophobicContact CD2-CD2 3.66Å; Y255-F334 HydrophobicContact CD2-CE2 4.28Å; Y255-F334 HydrophobicContact CE1-CB 4.47Å; Y255-F334 HydrophobicContact CE2-CD2 4.12Å; Y255-F334 AromaticContact CG-CD2 3.62Å; Y255-F334 HydrophobicContact CG-CD2 3.62Å; Y255-F334 HydrophobicContact CG-CE2 4.15Å; L329-F334 HydrophobicContact CB-CB 3.96Å; L329-F334 HydrophobicContact CB-CG 4.45Å; L329-F334 HydrophobicContact CD2-CB 4.16Å; L329-F334 HydrophobicContact CD2-CG 4.23Å; L329-F334 WeakPolarHBondContact O-CB 3.48Å; L329-F334 PolarHBondContact O-N 3.25Å; F334-F336 HydrophobicContact CD1-CD1 4.23Å; F334-F336 AromaticContact CD1-CD2 3.79Å; F334-F336 HydrophobicContact CD1-CD2 3.79Å; F334-F336 HydrophobicContact CD1-CE1 4.09Å; F334-F336 AromaticContact CD1-CE2 3.65Å; F334-F336 HydrophobicContact CD1-CE2 3.65Å; F334-F336 HydrophobicContact CD1-CG 4.08Å; F334-F336 AromaticContact CD1-CZ 3.8Å; F334-F336 HydrophobicContact CD1-CZ 3.8Å; F334-F336 AromaticContact CE1-CD1 3.81Å; F334-F336 HydrophobicContact CE1-CD1 3.81Å; F334-F336 HydrophobicContact CE1-CD2 4.16Å; F334-F336 AromaticContact CE1-CE1 3.87Å; F334-F336 HydrophobicContact CE1-CE1 3.87Å; F334-F336 HydrophobicContact CE1-CE2 4.22Å; F334-F336 AromaticContact CE1-CG 3.96Å; F334-F336 HydrophobicContact CE1-CG 3.96Å; F334-F336 HydrophobicContact CE1-CZ 4.07Å
335E97.3Very high96.2Very high155 Ų15544.5 Ų44.572%0.72424%0.235SC*.  trans-91112.7178.9-64.5-177.3171.900111R251 G333R251-E335 PolarHBondContact NH1-O 3.22Å; R251-E335 PolarHBondContact NH2-O 3.48Å; G333-E335 PolarHBondContact O-N 2.57Å
336F98Very high96.2Very high26 Ų2647.2 Ų47.211%0.11425%0.247CC..  trans-73.2134.7176.2-69.8-95.5000111.2D248 I252 T271 P273 P326 L329 L330 F334 P339D248-F336 HydrophobicContact CB-CD1 4.25Å; I252-F336 HydrophobicContact CD1-CE1 4.12Å; T271-F336 VanDerWaalsContact O-CE1 3.28Å; T271-F336 WeakPolarHBondContact O-CE1 2.85Å; T271-F336 WeakPolarHBondContact O-CZ 3.37Å; P273-F336 HydrophobicContact CG-CD2 3.92Å; P273-F336 HydrophobicContact CG-CE2 4.23Å; P273-F336 HydrophobicContact CG-CG 4.21Å; P326-F336 HydrophobicContact CB-CZ 4.04Å; P326-F336 HydrophobicContact CG-CE2 4.05Å; P326-F336 HydrophobicContact CG-CZ 3.62Å; L329-F336 HydrophobicContact CB-CZ 4.44Å; L329-F336 HydrophobicContact CD1-CZ 4.25Å; L330-F336 HydrophobicContact CD2-CD2 4.47Å; L330-F336 HydrophobicContact CD2-CE2 4.02Å; F334-F336 HydrophobicContact CD1-CD1 4.23Å; F334-F336 AromaticContact CD1-CD2 3.79Å; F334-F336 HydrophobicContact CD1-CD2 3.79Å; F334-F336 HydrophobicContact CD1-CE1 4.09Å; F334-F336 AromaticContact CD1-CE2 3.65Å; F334-F336 HydrophobicContact CD1-CE2 3.65Å; F334-F336 HydrophobicContact CD1-CG 4.08Å; F334-F336 AromaticContact CD1-CZ 3.8Å; F334-F336 HydrophobicContact CD1-CZ 3.8Å; F334-F336 AromaticContact CE1-CD1 3.81Å; F334-F336 HydrophobicContact CE1-CD1 3.81Å; F334-F336 HydrophobicContact CE1-CD2 4.16Å; F334-F336 AromaticContact CE1-CE1 3.87Å; F334-F336 HydrophobicContact CE1-CE1 3.87Å; F334-F336 HydrophobicContact CE1-CE2 4.22Å; F334-F336 AromaticContact CE1-CG 3.96Å; F334-F336 HydrophobicContact CE1-CG 3.96Å; F334-F336 HydrophobicContact CE1-CZ 4.07Å; F336-P339 HydrophobicContact CB-CB 4Å
337K97.3Very high96Very high112 Ų11251 Ų5149%0.48727%0.267SS..SBendtrans-78.5-34.4176.5-175.9178.5174.5-164.80111.1D247 D248 P339D247-K337 IonicContact OD2-NZ 2.75Å; D247-K337 PolarHBondContact OD2-NZ 2.75Å; D248-K337 WeakPolarHBondContact OD1-CB 3.3Å; D248-K337 PolarHBondContact OD1-N 3.12Å; D248-K337 PolarHBondContact OD2-N 3.34Å; K337-P339 VanDerWaalsContact C-CD 3.47Å
338Y97.3Very high95.8Very high22 Ų2245.9 Ų45.99%0.08625%0.248CC..  trans-127.469.1177.4-51.3-78.7000110.5W243 H245 D247 D248 D340 D343 N347W243-Y338 WeakPolarHBondContact CH2-O 3.41Å; H245-Y338 HydrophobicContact CB-CD2 3.72Å; H245-Y338 HydrophobicContact CB-CG 4.1Å; H245-Y338 AromaticContact CD2-CD2 3.95Å; H245-Y338 AromaticContact CE1-CD2 3.83Å; H245-Y338 AromaticContact CE1-CE2 3.48Å; H245-Y338 VanDerWaalsContact CE1-CE2 3.48Å; H245-Y338 WeakPolarHBondContact CE1-CE2 3.04Å; H245-Y338 AromaticContact CG-CD2 3.35Å; H245-Y338 AromaticContact CG-CE2 3.84Å; H245-Y338 AromaticContact CG-CG 3.89Å; H245-Y338 AromaticContact ND1-CD2 3.28Å; H245-Y338 VanDerWaalsContact ND1-CD2 3.28Å; H245-Y338 WeakPolarHBondContact ND1-CD2 3.5Å; H245-Y338 AromaticContact ND1-CE2 3.32Å; H245-Y338 VanDerWaalsContact ND1-CE2 3.32Å; H245-Y338 WeakPolarHBondContact ND1-CE2 3.37Å; D247-Y338 HydrophobicContact CB-CD2 4.35Å; D247-Y338 HydrophobicContact CB-CE2 3.81Å; D247-Y338 WeakPolarHBondContact OD2-CE2 3.4Å; D247-Y338 PolarHBondContact OD2-OH 3.03Å; D248-Y338 PolarHBondContact OD2-N 3.45Å; Y338-D340 PolarHBondContact O-N 2.91Å; Y338-D343 HydrophobicContact CD1-CB 4.11Å; Y338-N347 HydrophobicContact CD1-CB 4.26Å; Y338-N347 HydrophobicContact CE1-CB 3.59Å; Y338-N347 VanDerWaalsContact OH-CG 3.24Å; Y338-N347 PolarHBondContact OH-ND2 3.08Å
339P96.7Very high95.4Very high38 Ų3845.4 Ų45.425%0.24725%0.246CC..  trans-70.5-22179.330.1-34.6000112.5S272 P273 K274 F336 K337S272-P339 PolarHBondContact OG-O 2.78Å; P273-P339 HydrophobicContact CG-CB 3.91Å; K274-P339 WeakPolarHBondContact CB-O 3.06Å; F336-P339 HydrophobicContact CB-CB 4Å; K337-P339 VanDerWaalsContact C-CD 3.47Å
340D95.7Very high95Very high43 Ų4348.6 Ų48.623%0.2328%0.279CS..SBendtrans-108.9145-177.5-157-80.5000112W243 K274 Y338 A342 D343 A344W243-D340 WeakPolarHBondContact CH2-O 3.46Å; K274-D340 IonicContact NZ-OD2 2.85Å; K274-D340 PolarHBondContact NZ-OD2 3.13Å; Y338-D340 PolarHBondContact O-N 2.91Å; D340-A342 PolarHBondContact O-N 3.15Å; D340-A342 WeakPolarHBondContact OD1-CB 3.28Å; D340-A342 PolarHBondContact OD1-N 2.89Å; D340-D343 VanDerWaalsContact CB-OD2 3.3Å; D340-D343 WeakPolarHBondContact CB-OD2 3.24Å; D340-D343 PolarHBondContact O-N 2.88Å; D340-A344 PolarHBondContact O-N 3.03Å; D340-A344 VanDerWaalsContact O-N 3.09Å
341I94.4Very high94.7Very high11 Ų1150.5 Ų50.56%0.05628%0.282CS..Hα-helixtrans-64.1-32.1-179.3-169.259.2000111L212 W243 V276 F281 A344 L345L212-I341 HydrophobicContact CD1-CD1 3.6Å; W243-I341 HydrophobicContact CD2-CD1 3.9Å; W243-I341 HydrophobicContact CE3-CD1 4.17Å; W243-I341 HydrophobicContact CG-CD1 4.41Å; W243-I341 HydrophobicContact CH2-CB 4.41Å; W243-I341 HydrophobicContact CH2-CD1 4.36Å; W243-I341 VanDerWaalsContact CZ2-CA 3.49Å; W243-I341 HydrophobicContact CZ2-CB 3.81Å; W243-I341 HydrophobicContact CZ2-CD1 4.09Å; W243-I341 VanDerWaalsContact CZ2-N 3.28Å; W243-I341 HydrophobicContact CZ3-CD1 4.39Å; V276-I341 HydrophobicContact CG1-CB 4.19Å; V276-I341 HydrophobicContact CG1-CG2 4.01Å; F281-I341 HydrophobicContact CD2-CD1 3.76Å; F281-I341 HydrophobicContact CD2-CG1 4.18Å; F281-I341 HydrophobicContact CE2-CD1 3.91Å; I341-A344 PolarHBondContact O-N 3Å; I341-L345 HydrophobicContact CD1-CD1 4.15Å; I341-L345 HydrophobicContact CD1-CD2 4.45Å; I341-L345 HydrophobicContact CD1-CG 4Å; I341-L345 HydrophobicContact CG1-CD1 3.77Å; I341-L345 HydrophobicContact CG1-CG 4.08Å; I341-L345 WeakPolarHBondContact O-CB 3.4Å; I341-L345 VanDerWaalsContact O-CG 3.23Å; I341-L345 WeakPolarHBondContact O-CG 3.3Å; I341-L345 PolarHBondContact O-N 3.43Å
342A95.1Very high94.5Very high13 Ų1350 Ų5011%0.10727%0.271CS..Hα-helixtrans-63.7-45.1177.400000111.7D340 E346 R352 P353D340-A342 PolarHBondContact O-N 3.15Å; D340-A342 WeakPolarHBondContact OD1-CB 3.28Å; D340-A342 PolarHBondContact OD1-N 2.89Å; A342-E346 WeakPolarHBondContact O-CB 3.45Å; A342-E346 PolarHBondContact O-N 3.01Å; A342-R352 HydrophobicContact CB-CG 4.4Å; A342-P353 HydrophobicContact CB-CG 3.67Å
343D94.1Very high94.1Very high46 Ų4648.7 Ų48.725%0.24626%0.259CS..Hα-helixtrans-65.5-42.6178.7-55.9-37000111Y338 D340 N347 R352Y338-D343 HydrophobicContact CD1-CB 4.11Å; D340-D343 VanDerWaalsContact CB-OD2 3.3Å; D340-D343 WeakPolarHBondContact CB-OD2 3.24Å; D340-D343 PolarHBondContact O-N 2.88Å; D343-N347 PolarHBondContact O-N 3.12Å; D343-R352 IonicContact OD1-CZ 3.03Å; D343-R352 IonicContact OD1-NH1 3.99Å; D343-R352 PolarHBondContact OD1-NH1 2.97Å; D343-R352 IonicContact OD1-NH2 3.53Å; D343-R352 PolarHBondContact OD1-NH2 3.17Å
344A94.7Very high93.3Very high0 Ų054.5 Ų54.50%027%0.265CS..Hα-helixtrans-63.4-46.8178.300000112.1W243 H245 D340 I341 N347 I348W243-A344 HydrophobicContact CE3-CB 4.4Å; W243-A344 HydrophobicContact CH2-CB 3.79Å; W243-A344 HydrophobicContact CZ3-CB 3.45Å; W243-A344 VanDerWaalsContact CZ3-CB 3.45Å; H245-A344 HydrophobicContact CB-CB 4.44Å; D340-A344 PolarHBondContact O-N 3.03Å; D340-A344 VanDerWaalsContact O-N 3.09Å; I341-A344 PolarHBondContact O-N 3Å; A344-N347 PolarHBondContact O-N 2.85Å; A344-I348 WeakPolarHBondContact O-CD1 3.32Å; A344-I348 VanDerWaalsContact O-CG1 3.23Å; A344-I348 WeakPolarHBondContact O-CG1 3.29Å; A344-I348 PolarHBondContact O-N 3.01Å; A344-I348 VanDerWaalsContact O-N 3.1Å
345L92.6Very high91.7Very high0 Ų060.1 Ų60.10%031%0.305CS..Hα-helixtrans-71.8-35.3-179.9-66175.3000112.1A284 S288 I341 N347 I348 F349A284-L345 HydrophobicContact CB-CD1 3.55Å; S288-L345 WeakPolarHBondContact OG-CB 3.39Å; I341-L345 HydrophobicContact CD1-CD1 4.15Å; I341-L345 HydrophobicContact CD1-CD2 4.45Å; I341-L345 HydrophobicContact CD1-CG 4Å; I341-L345 HydrophobicContact CG1-CD1 3.77Å; I341-L345 HydrophobicContact CG1-CG 4.08Å; I341-L345 WeakPolarHBondContact O-CB 3.4Å; I341-L345 VanDerWaalsContact O-CG 3.23Å; I341-L345 WeakPolarHBondContact O-CG 3.3Å; I341-L345 PolarHBondContact O-N 3.43Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-I348 PolarHBondContact O-N 3.16Å; L345-F349 HydrophobicContact CB-CD2 4.29Å; L345-F349 HydrophobicContact CD2-CD2 4.12Å; L345-F349 HydrophobicContact CD2-CE2 3.75Å; L345-F349 WeakPolarHBondContact O-CB 3.29Å; L345-F349 WeakPolarHBondContact O-CD2 3.34Å; L345-F349 PolarHBondContact O-N 3.05Å
346E94.4Very high91.4Very high75 Ų7555.4 Ų55.435%0.3528%0.284SS..Hα-helixtrans-59.4-45.2171.7-178.4169.2-155.700111.1A342 I348 G350 R352A342-E346 WeakPolarHBondContact O-CB 3.45Å; A342-E346 PolarHBondContact O-N 3.01Å; E346-I348 VanDerWaalsContact C-N 3.34Å; E346-I348 PolarHBondContact O-N 2.88Å; E346-G350 WeakPolarHBondContact O-CA 3.41Å; E346-G350 PolarHBondContact O-N 3Å; E346-R352 HydrophobicContact CB-CB 4.19Å; E346-R352 HydrophobicContact CB-CG 4.34Å; E346-R352 HydrophobicContact CG-CB 4.12Å; E346-R352 WeakPolarHBondContact OE2-CD 3.43Å; E346-R352 WeakPolarHBondContact OE2-CG 2.94Å; E346-R352 IonicContact OE2-CZ 3.61Å; E346-R352 IonicContact OE2-NE 2.63Å; E346-R352 IonicContact OE2-NH1 2.85Å; E346-R352 PolarHBondContact OE2-NH1 3.41Å
347N93.9Very high91.1Very high81 Ų8156.9 Ų56.943%0.43329%0.293SS..Hα-helixtrans-61.9-41.5175.5-176.6-99.4000112.7H245 Y338 D343 A344 L345H245-N347 PolarHBondContact CE1-OD1 3.43Å; H245-N347 PolarHBondContact NE2-OD1 2.94Å; Y338-N347 HydrophobicContact CD1-CB 4.26Å; Y338-N347 HydrophobicContact CE1-CB 3.59Å; Y338-N347 VanDerWaalsContact OH-CG 3.24Å; Y338-N347 PolarHBondContact OH-ND2 3.08Å; D343-N347 PolarHBondContact O-N 3.12Å; A344-N347 PolarHBondContact O-N 2.85Å; L345-N347 VanDerWaalsContact C-N 3.34Å
348I91.1Very high90.7Very high3 Ų353.8 Ų53.82%0.01528%0.282CS..Hα-helixtrans-72.7-38.2-176-71168000112.6L212 K214 I219 R223 A344 L345 E346L212-I348 HydrophobicContact CB-CD1 3.67Å; K214-I348 HydrophobicContact CB-CG2 4.3Å; I219-I348 HydrophobicContact CD1-CG2 4.46Å; I219-I348 HydrophobicContact CG1-CG2 4.45Å; I219-I348 HydrophobicContact CG2-CG2 4.09Å; R223-I348 PolarHBondContact NH2-O 3.23Å; A344-I348 WeakPolarHBondContact O-CD1 3.32Å; A344-I348 VanDerWaalsContact O-CG1 3.23Å; A344-I348 WeakPolarHBondContact O-CG1 3.29Å; A344-I348 PolarHBondContact O-N 3.01Å; A344-I348 VanDerWaalsContact O-N 3.1Å; L345-I348 PolarHBondContact O-N 3.16Å; E346-I348 VanDerWaalsContact C-N 3.34Å; E346-I348 PolarHBondContact O-N 2.88Å
349F88.2Confident90.3Very high39 Ų3955.7 Ų55.717%0.17129%0.294CS..Hα-helixtrans-112.5-11.8-170.6-64.4-63.6000114.7I219 L289 L345 R351I219-F349 HydrophobicContact CD1-CE2 4.04Å; I219-F349 HydrophobicContact CD1-CZ 3.56Å; I219-F349 HydrophobicContact CG1-CZ 4.46Å; I219-F349 HydrophobicContact CG2-CE1 3.52Å; I219-F349 HydrophobicContact CG2-CZ 3.6Å; L289-F349 HydrophobicContact CD1-CZ 4.4Å; L289-F349 HydrophobicContact CD2-CD1 3.56Å; L289-F349 HydrophobicContact CD2-CE1 3.2Å; L289-F349 HydrophobicContact CD2-CE2 4.47Å; L289-F349 HydrophobicContact CD2-CG 4.34Å; L289-F349 HydrophobicContact CD2-CZ 3.68Å; L289-F349 HydrophobicContact CG-CD1 4.2Å; L289-F349 HydrophobicContact CG-CE1 3.92Å; L289-F349 HydrophobicContact CG-CE2 4.33Å; L289-F349 HydrophobicContact CG-CZ 3.93Å; L345-F349 HydrophobicContact CB-CD2 4.29Å; L345-F349 HydrophobicContact CD2-CD2 4.12Å; L345-F349 HydrophobicContact CD2-CE2 3.75Å; L345-F349 WeakPolarHBondContact O-CB 3.29Å; L345-F349 WeakPolarHBondContact O-CD2 3.34Å; L345-F349 PolarHBondContact O-N 3.05Å; F349-R351 PolarHBondContact O-N 3.3Å
350G90Very high89.9Confident67 Ų6756.8 Ų56.869%0.69130%0.297SS*.SBendtrans7510.4-175.600000114E346E346-G350 WeakPolarHBondContact O-CA 3.41Å; E346-G350 PolarHBondContact O-N 3Å
351R90.1Very high89.5Confident105 Ų10557.7 Ų57.740%0.39630%0.301SS..  trans-139.5121.2-179-179.8179.9-175.9172.65.5110.7E287 S288 F349E287-R351 VanDerWaalsContact O-CD 3.29Å; E287-R351 WeakPolarHBondContact O-CD 3.27Å; E287-R351 PolarHBondContact O-NE 3.01Å; S288-R351 WeakPolarHBondContact CA-O 3.46Å; S288-R351 VanDerWaalsContact CB-O 3.31Å; S288-R351 WeakPolarHBondContact CB-O 3.25Å; S288-R351 WeakPolarHBondContact O-CB 3.18Å; S288-R351 PolarHBondContact OG-O 2.74Å; F349-R351 PolarHBondContact O-N 3.3Å
352R92.4Very high89.2Confident112 Ų11261.1 Ų61.142%0.42332%0.319SS..  trans-70.5135.1174.5-156.6176-178.184.43.5111.3A342 D343 E346A342-R352 HydrophobicContact CB-CG 4.4Å; D343-R352 IonicContact OD1-CZ 3.03Å; D343-R352 IonicContact OD1-NH1 3.99Å; D343-R352 PolarHBondContact OD1-NH1 2.97Å; D343-R352 IonicContact OD1-NH2 3.53Å; D343-R352 PolarHBondContact OD1-NH2 3.17Å; E346-R352 HydrophobicContact CB-CB 4.19Å; E346-R352 HydrophobicContact CB-CG 4.34Å; E346-R352 HydrophobicContact CG-CB 4.12Å; E346-R352 WeakPolarHBondContact OE2-CD 3.43Å; E346-R352 WeakPolarHBondContact OE2-CG 2.94Å; E346-R352 IonicContact OE2-CZ 3.61Å; E346-R352 IonicContact OE2-NE 2.63Å; E346-R352 IonicContact OE2-NH1 2.85Å; E346-R352 PolarHBondContact OE2-NH1 3.41Å
353P89.6Confident88.7Confident12 Ų1264.8 Ų64.88%0.07834%0.335CS..  trans-66.8153.1167.630-31.9000110A284 E287 S288 A342A284-P353 HydrophobicContact CB-CB 3.94Å; A284-P353 HydrophobicContact CB-CG 4.06Å; E287-P353 HydrophobicContact CB-CB 4.01Å; E287-P353 WeakPolarHBondContact OE2-CA 3.37Å; E287-P353 VanDerWaalsContact OE2-CB 3.32Å; E287-P353 WeakPolarHBondContact OE2-CB 3.48Å; S288-P353 WeakPolarHBondContact OG-CD 3.21Å; A342-P353 HydrophobicContact CB-CG 3.67Å
354R79.3Confident88.3Confident174 Ų17466.3 Ų66.366%0.65734%0.342SS*.  trans-82-33.5-169.1-62-174.2-142.7-178.47.7113.3E287E287-R354 PolarHBondContact OE2-N 3.26Å
355S63.1Low87.7Confident128 Ų12872.4 Ų72.490%0.89537%0.374SS*.  trans170.80170.554.10000111.7K283K283-S355 PolarHBondContact NZ-O 3.01Å

Retrieved 355 of 355 residues in 138.5 ms (Link to these results)

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