A0A077Z8K0_TRITR Loading...

AMP-binding domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8K0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M76.7Confident89.3Confident110 Ų11092.6 Ų92.654%0.54245%0.451SS..  01250-174.6172.46600107.2D5 M6 V40M1-D5 HydrophobicContact CG-CB 3.66Å; M1-M6 HydrophobicContact CE-CB 3.65Å; M1-M6 HydrophobicContact CE-CG 3.49Å; M1-M6 VanDerWaalsContact CE-CG 3.49Å; M1-M6 HydrophobicContact CE-SD 3.81Å; M1-M6 HydrophobicContact CG-CB 4.21Å; M1-M6 HydrophobicContact SD-CB 4.02Å; M1-M6 HydrophobicContact SD-CG 4.3Å; M1-V40 HydrophobicContact CE-CG2 3.94Å; M1-V40 HydrophobicContact SD-CG2 4.06Å
2T89.2Confident89.6Confident86 Ų8695.7 Ų95.753%0.52846%0.464SS..  trans-77.8167.2173.868.70000110.4G4 D5 M6T2-G4 PolarHBondContact O-N 2.71Å; T2-D5 WeakPolarHBondContact CB-OD2 3.36Å; T2-D5 WeakPolarHBondContact CG2-OD2 3.3Å; T2-D5 PolarHBondContact N-OD2 3.07Å; T2-D5 PolarHBondContact O-N 3.44Å; T2-D5 PolarHBondContact OG1-N 3.03Å; T2-D5 PolarHBondContact OG1-OD2 3.33Å; T2-M6 PolarHBondContact O-N 3.1Å
3Y85.5Confident89.8Confident200 Ų20088.6 Ų88.678%0.78443%0.431SS*.Hα-helixtrans-60-35.2173.6-80.2-77.4000112.6M6 Y7Y3-M6 HydrophobicContact CD1-CE 3.76Å; Y3-M6 HydrophobicContact CE1-CE 4.03Å; Y3-M6 PolarHBondContact O-N 2.78Å; Y3-Y7 WeakPolarHBondContact O-CB 3.44Å; Y3-Y7 PolarHBondContact O-N 3.47Å
4G91.5Very high89.7Confident42 Ų4283.9 Ų83.943%0.43341%0.409SS..Hα-helixtrans-66.4-40.3175.600000112.7T2 K8T2-G4 PolarHBondContact O-N 2.71Å; G4-K8 WeakPolarHBondContact O-CG 2.98Å; G4-K8 PolarHBondContact O-N 3.27Å
5D89.8Confident89.7Confident79 Ų7987.9 Ų87.942%0.42242%0.423SS..Hα-helixtrans-65.9-41.7174.4-55.9-38000111.1M1 T2 K8 A9M1-D5 HydrophobicContact CG-CB 3.66Å; T2-D5 WeakPolarHBondContact CB-OD2 3.36Å; T2-D5 WeakPolarHBondContact CG2-OD2 3.3Å; T2-D5 PolarHBondContact N-OD2 3.07Å; T2-D5 PolarHBondContact O-N 3.44Å; T2-D5 PolarHBondContact OG1-N 3.03Å; T2-D5 PolarHBondContact OG1-OD2 3.33Å; D5-K8 PolarHBondContact O-N 2.99Å; D5-A9 WeakPolarHBondContact O-CB 3.44Å; D5-A9 PolarHBondContact O-N 3.28Å
6M86.2Confident89.7Confident46 Ų4687.9 Ų87.923%0.22743%0.427CS..Hα-helixtrans-61.9-44.8178-168.9170.574.300111.7M1 T2 Y3 K8 A9 I10 V40M1-M6 HydrophobicContact CE-CB 3.65Å; M1-M6 HydrophobicContact CE-CG 3.49Å; M1-M6 VanDerWaalsContact CE-CG 3.49Å; M1-M6 HydrophobicContact CE-SD 3.81Å; M1-M6 HydrophobicContact CG-CB 4.21Å; M1-M6 HydrophobicContact SD-CB 4.02Å; M1-M6 HydrophobicContact SD-CG 4.3Å; T2-M6 PolarHBondContact O-N 3.1Å; Y3-M6 HydrophobicContact CD1-CE 3.76Å; Y3-M6 HydrophobicContact CE1-CE 4.03Å; Y3-M6 PolarHBondContact O-N 2.78Å; M6-K8 VanDerWaalsContact C-N 3.33Å; M6-K8 PolarHBondContact O-N 3.11Å; M6-A9 PolarHBondContact O-N 3.32Å; M6-I10 HydrophobicContact CG-CD1 3.82Å; M6-I10 HydrophobicContact CG-CG1 4.41Å; M6-I10 WeakPolarHBondContact O-CD1 3.32Å; M6-I10 VanDerWaalsContact O-CG1 3.25Å; M6-I10 WeakPolarHBondContact O-CG1 3.39Å; M6-I10 PolarHBondContact O-N 3.28Å; M6-V40 HydrophobicContact CG-CG2 4.12Å
7Y90.7Very high89.5Confident162 Ų16283.8 Ų83.864%0.63541%0.407SS*.Hα-helixtrans-60.9-42.7179.1-174.3-91.3000112Y3 I10 H11Y3-Y7 WeakPolarHBondContact O-CB 3.44Å; Y3-Y7 PolarHBondContact O-N 3.47Å; Y7-I10 PolarHBondContact O-N 3.18Å; Y7-H11 PolarHBondContact O-N 2.82Å; Y7-H11 VanDerWaalsContact O-N 3.07Å
8K93.6Very high89.3Confident140 Ų14085.8 Ų85.861%0.60942%0.415SS*.Hα-helixtrans-62.8-47.4175-70.1176.5-177.7179.20111.6G4 D5 M6 I10 H11 E12G4-K8 WeakPolarHBondContact O-CG 2.98Å; G4-K8 PolarHBondContact O-N 3.27Å; D5-K8 PolarHBondContact O-N 2.99Å; M6-K8 VanDerWaalsContact C-N 3.33Å; M6-K8 PolarHBondContact O-N 3.11Å; K8-I10 VanDerWaalsContact C-N 3.32Å; K8-I10 PolarHBondContact O-N 2.85Å; K8-H11 WeakPolarHBondContact O-CB 3.47Å; K8-H11 PolarHBondContact O-N 3.38Å; K8-H11 VanDerWaalsContact O-N 3.09Å; K8-E12 PolarHBondContact O-N 3.15Å
9A92.7Very high89.2Confident19 Ų1985.4 Ų85.416%0.15742%0.422CS..Hα-helixtrans-62.5-37.117900000112.5D5 M6 H11 E12 A13 V40D5-A9 WeakPolarHBondContact O-CB 3.44Å; D5-A9 PolarHBondContact O-N 3.28Å; M6-A9 PolarHBondContact O-N 3.32Å; A9-H11 VanDerWaalsContact C-N 3.34Å; A9-E12 PolarHBondContact O-N 3.5Å; A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.27Å; A9-A13 PolarHBondContact O-N 2.7Å; A9-V40 VanDerWaalsContact C-CG1 3.49Å; A9-V40 HydrophobicContact CB-CG1 3.82Å; A9-V40 HydrophobicContact CB-CG2 3.94Å; A9-V40 WeakPolarHBondContact O-CG1 2.77Å
10I93.3Very high89.2Confident9 Ų985.5 Ų85.55%0.04644%0.437CS..Hα-helixtrans-64.1-41.7173.6-70.4161.7000110.4M6 Y7 K8 A13 N14 V40 V43 A44M6-I10 HydrophobicContact CG-CD1 3.82Å; M6-I10 HydrophobicContact CG-CG1 4.41Å; M6-I10 WeakPolarHBondContact O-CD1 3.32Å; M6-I10 VanDerWaalsContact O-CG1 3.25Å; M6-I10 WeakPolarHBondContact O-CG1 3.39Å; M6-I10 PolarHBondContact O-N 3.28Å; Y7-I10 PolarHBondContact O-N 3.18Å; K8-I10 VanDerWaalsContact C-N 3.32Å; K8-I10 PolarHBondContact O-N 2.85Å; I10-A13 PolarHBondContact O-N 2.73Å; I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.27Å; I10-N14 PolarHBondContact O-N 2.69Å; I10-N14 PolarHBondContact O-ND2 2.92Å; I10-V40 HydrophobicContact CG1-CB 4.4Å; I10-V40 HydrophobicContact CG1-CG1 4.13Å; I10-V40 HydrophobicContact CG1-CG2 4.44Å; I10-V43 HydrophobicContact CD1-CB 4.01Å; I10-V43 HydrophobicContact CD1-CG1 3.73Å; I10-V43 HydrophobicContact CG1-CB 4.27Å; I10-V43 HydrophobicContact CG1-CG1 4.26Å; I10-V43 HydrophobicContact CG2-CG1 4.12Å; I10-A44 HydrophobicContact CG2-CB 4.4Å
11H93.3Very high89.2Confident126 Ų12683.9 Ų83.958%0.58344%0.442SS*.Hα-helixtrans-65.9-40179.6-165.265.4000112.5Y7 K8 A9 F15Y7-H11 PolarHBondContact O-N 2.82Å; Y7-H11 VanDerWaalsContact O-N 3.07Å; K8-H11 WeakPolarHBondContact O-CB 3.47Å; K8-H11 PolarHBondContact O-N 3.38Å; K8-H11 VanDerWaalsContact O-N 3.09Å; A9-H11 VanDerWaalsContact C-N 3.34Å; H11-F15 PolarHBondContact O-N 2.83Å
12E93.2Very high89.7Confident129 Ų12979.5 Ų79.560%0.60342%0.42SS*.Hα-helixtrans-64.1-49172.6-70.4170.1-175.400111K8 A9 N14 F15 D16K8-E12 PolarHBondContact O-N 3.15Å; A9-E12 PolarHBondContact O-N 3.5Å; E12-N14 VanDerWaalsContact C-N 3.3Å; E12-N14 PolarHBondContact O-N 3.17Å; E12-F15 WeakPolarHBondContact O-CB 3.41Å; E12-F15 PolarHBondContact O-N 3.28Å; E12-D16 PolarHBondContact O-N 2.9Å
13A91.9Very high89.4Confident4 Ų478.8 Ų78.83%0.03342%0.419CS..Hα-helixtrans-60.2-37.1177.600000112.7A9 I10 F15 D16 I17 V40 Y41 A44A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.27Å; A9-A13 PolarHBondContact O-N 2.7Å; I10-A13 PolarHBondContact O-N 2.73Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 2.94Å; A13-D16 PolarHBondContact O-N 2.78Å; A13-I17 HydrophobicContact CB-CD1 4.45Å; A13-I17 VanDerWaalsContact O-CB 3.3Å; A13-I17 WeakPolarHBondContact O-CB 3.27Å; A13-I17 WeakPolarHBondContact O-CD1 3.08Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 3.26Å; A13-V40 HydrophobicContact CB-CG1 4Å; A13-Y41 HydrophobicContact CB-CD1 4.01Å; A13-Y41 HydrophobicContact CB-CE1 3.95Å; A13-A44 HydrophobicContact CB-CB 3.72Å
14N87.7Confident89.7Confident23 Ų2377.9 Ų77.912%0.12342%0.419CS..Hα-helixtrans-60-43173.2-80.9-24.2000112.1I10 E12 H18 A44 Q47I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.27Å; I10-N14 PolarHBondContact O-N 2.69Å; I10-N14 PolarHBondContact O-ND2 2.92Å; E12-N14 VanDerWaalsContact C-N 3.3Å; E12-N14 PolarHBondContact O-N 3.17Å; N14-H18 VanDerWaalsContact O-CA 3.25Å; N14-H18 WeakPolarHBondContact O-CA 3.47Å; N14-H18 PolarHBondContact O-N 3.27Å; N14-A44 WeakPolarHBondContact OD1-CA 3.42Å; N14-A44 VanDerWaalsContact OD1-CB 3.22Å; N14-A44 WeakPolarHBondContact OD1-CB 3.46Å; N14-A44 PolarHBondContact OD1-O 3.44Å; N14-Q47 PolarHBondContact ND2-OE1 3.27Å
15F89.8Confident89.4Confident143 Ų14378 Ų7863%0.62742%0.42SS*.Hα-helixtrans-65.6-42.9178.9-179.2-93.4000111H11 E12 A13 H18 S19H11-F15 PolarHBondContact O-N 2.83Å; E12-F15 WeakPolarHBondContact O-CB 3.41Å; E12-F15 PolarHBondContact O-N 3.28Å; A13-F15 VanDerWaalsContact C-N 3.33Å; A13-F15 PolarHBondContact O-N 2.94Å; F15-H18 WeakPolarHBondContact O-CA 3.46Å; F15-S19 VanDerWaalsContact O-CB 3.29Å; F15-S19 WeakPolarHBondContact O-CB 3.5Å; F15-S19 PolarHBondContact O-N 3.23Å; F15-S19 PolarHBondContact O-OG 3.34Å
16D90Very high89.1Confident89 Ų8977.6 Ų77.648%0.47642%0.418SS..Hα-helixtrans-67-49.1-179.9-67.5-19.4000112E12 A13 H18 S19 A20E12-D16 PolarHBondContact O-N 2.9Å; A13-D16 PolarHBondContact O-N 2.78Å; D16-H18 VanDerWaalsContact C-N 3.33Å; D16-S19 PolarHBondContact O-N 3.36Å; D16-A20 WeakPolarHBondContact O-CB 3.43Å; D16-A20 PolarHBondContact O-N 2.94Å
17I86.7Confident89Confident18 Ų1879.9 Ų79.99%0.09243%0.434CS..Hα-helixtrans-64-43.1177-65.4163000110.2A13 S19 A20 M22 Y41 A44 V45 L48A13-I17 HydrophobicContact CB-CD1 4.45Å; A13-I17 VanDerWaalsContact O-CB 3.3Å; A13-I17 WeakPolarHBondContact O-CB 3.27Å; A13-I17 WeakPolarHBondContact O-CD1 3.08Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 3.26Å; I17-S19 PolarHBondContact O-N 2.86Å; I17-A20 PolarHBondContact O-N 3.34Å; I17-M22 HydrophobicContact CG2-CB 3.49Å; I17-M22 VanDerWaalsContact CG2-CB 3.49Å; I17-M22 HydrophobicContact CG2-CG 3.74Å; I17-M22 HydrophobicContact CG2-SD 3.4Å; I17-M22 WeakPolarHBondContact CG2-SD 2.87Å; I17-M22 WeakPolarHBondContact O-CB 2.95Å; I17-M22 PolarHBondContact O-N 2.95Å; I17-Y41 HydrophobicContact CD1-CD1 3.89Å; I17-Y41 HydrophobicContact CG1-CD1 4.46Å; I17-A44 HydrophobicContact CD1-CB 3.73Å; I17-V45 HydrophobicContact CD1-CG2 3.81Å; I17-L48 HydrophobicContact CB-CD1 3.86Å; I17-L48 HydrophobicContact CG2-CD1 3.62Å
18H85.4Confident88.6Confident119 Ų11973.9 Ų73.955%0.55141%0.414SS*.Hα-helixtrans-36-65.6162.8169.714.1000112.7N14 F15 D16 A20 G21 L48N14-H18 VanDerWaalsContact O-CA 3.25Å; N14-H18 WeakPolarHBondContact O-CA 3.47Å; N14-H18 PolarHBondContact O-N 3.27Å; F15-H18 WeakPolarHBondContact O-CA 3.46Å; D16-H18 VanDerWaalsContact C-N 3.33Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 PolarHBondContact O-N 3.41Å; H18-G21 PolarHBondContact O-N 2.93Å; H18-G21 VanDerWaalsContact O-N 3.13Å; H18-L48 HydrophobicContact CB-CD1 3.75Å; H18-L48 HydrophobicContact CB-CD2 3.94Å; H18-L48 HydrophobicContact CB-CG 4.48Å
19S88.7Confident88.2Confident78 Ų7870 Ų7055%0.54541%0.408SS..Hα-helixtrans-73.4-24-171.1-580000112.7F15 D16 I17 G21F15-S19 VanDerWaalsContact O-CB 3.29Å; F15-S19 WeakPolarHBondContact O-CB 3.5Å; F15-S19 PolarHBondContact O-N 3.23Å; F15-S19 PolarHBondContact O-OG 3.34Å; D16-S19 PolarHBondContact O-N 3.36Å; I17-S19 PolarHBondContact O-N 2.86Å; S19-G21 PolarHBondContact O-N 3.25Å
20A88.6Confident87.7Confident88 Ų8869.4 Ų69.473%0.72740%0.402SS*.THydrogen-bonded Turntrans-71.7-5.6171.500000113.4D16 I17 H18D16-A20 WeakPolarHBondContact O-CB 3.43Å; D16-A20 PolarHBondContact O-N 2.94Å; I17-A20 PolarHBondContact O-N 3.34Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 PolarHBondContact O-N 3.41Å
21G89Confident86.9Confident52 Ų5274 Ų7454%0.53642%0.422SS..THydrogen-bonded Turntrans96.912.4172.500000114.9H18 S19H18-G21 PolarHBondContact O-N 2.93Å; H18-G21 VanDerWaalsContact O-N 3.13Å; S19-G21 PolarHBondContact O-N 3.25Å
22M86.6Confident86.1Confident17 Ų1770 Ų708%0.08441%0.405CS..  trans-66134.4178.6-176.4-122.715400111.5I17 D26 V28 V45 L48I17-M22 HydrophobicContact CG2-CB 3.49Å; I17-M22 VanDerWaalsContact CG2-CB 3.49Å; I17-M22 HydrophobicContact CG2-CG 3.74Å; I17-M22 HydrophobicContact CG2-SD 3.4Å; I17-M22 WeakPolarHBondContact CG2-SD 2.87Å; I17-M22 WeakPolarHBondContact O-CB 2.95Å; I17-M22 PolarHBondContact O-N 2.95Å; M22-D26 HydrophobicContact CG-CB 4.22Å; M22-V28 HydrophobicContact CG-CG2 4.09Å; M22-V45 HydrophobicContact CE-CG1 4.34Å; M22-L48 HydrophobicContact CE-CB 3.72Å; M22-L48 HydrophobicContact SD-CB 3.46Å; M22-L48 WeakPolarHBondContact SD-CB 3.24Å; M22-L48 HydrophobicContact SD-CD1 3.61Å; M22-L48 HydrophobicContact SD-CG 4.2Å
23S83.3Confident85Confident71 Ų7167 Ų6750%0.49740%0.396SS..  trans-120.6161.8178-660000111.6G25 D26S23-G25 PolarHBondContact O-N 2.71Å; S23-D26 PolarHBondContact N-OD2 2.94Å; S23-D26 VanDerWaalsContact O-CB 3.32Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.2Å; S23-D26 VanDerWaalsContact O-N 3.08Å
24K91.7Very high84.4Confident181 Ų18174.2 Ų74.279%0.78743%0.434SS*.THydrogen-bonded Turntrans-55.5129175.1178.8178.3179.2179.80110.6
25G85.3Confident84.2Confident44 Ų4475.4 Ų75.445%0.45444%0.444SS..THydrogen-bonded Turntrans95.3-12-17800000114.7S23 G49S23-G25 PolarHBondContact O-N 2.71Å; G25-G49 PolarHBondContact N-O 3.38Å
26D83.1Confident84Confident72 Ų7271 Ų7139%0.38543%0.431SS..  trans-68.6144.6177.2-68.9-16.8000111.5M22 S23 G50 I51M22-D26 HydrophobicContact CG-CB 4.22Å; S23-D26 PolarHBondContact N-OD2 2.94Å; S23-D26 VanDerWaalsContact O-CB 3.32Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.2Å; S23-D26 VanDerWaalsContact O-N 3.08Å; D26-G50 CarbonylContact O-C 3.55Å; D26-G50 WeakPolarHBondContact O-CA 3.38Å; D26-I51 PolarHBondContact O-N 3.12Å
27V85Confident83.8Confident94 Ų9471.3 Ų71.357%0.5743%0.43SS*.EExtended strand (participates in β ladder)trans-91.9122.1174.6-177.20000109.1I51 T53V27-I51 CarbonylContact C-O 3.55Å; V27-I51 WeakPolarHBondContact CA-O 3.49Å; V27-I51 HydrophobicContact CG2-CB 4.17Å; V27-I51 HydrophobicContact CG2-CD1 4.34Å; V27-I51 HydrophobicContact CG2-CG2 4.45Å; V27-T53 HydrophobicContact CG1-CG2 3.81Å
28V82.4Confident83.8Confident36 Ų3672.1 Ų72.122%0.21843%0.434CS..EExtended strand (participates in β ladder)trans-109121.2176.5-178.40000109.3M22 V45 I51 T53M22-V28 HydrophobicContact CG-CG2 4.09Å; V28-V45 HydrophobicContact CB-CB 4.49Å; V28-V45 HydrophobicContact CB-CG1 3.91Å; V28-V45 HydrophobicContact CB-CG2 3.7Å; V28-V45 HydrophobicContact CG1-CG2 3.72Å; V28-V45 HydrophobicContact CG2-CG1 3.82Å; V28-V45 HydrophobicContact CG2-CG2 3.83Å; V28-I51 PolarHBondContact N-O 2.83Å; V28-T53 PolarHBondContact O-N 3.44Å
29A84.3Confident84Confident57 Ų5771.1 Ų71.147%0.47143%0.432SS..EExtended strand (participates in β ladder)trans-84.2121.6172.700000110.8T53 I55A29-T53 CarbonylContact C-O 3.59Å; A29-T53 VanDerWaalsContact CA-O 3.27Å; A29-T53 WeakPolarHBondContact CA-O 3.25Å; A29-T53 HydrophobicContact CB-CG2 3.84Å; A29-I55 HydrophobicContact CB-CD1 3.65Å; A29-I55 HydrophobicContact CB-CG1 4.14Å
30I81.4Confident84.1Confident7 Ų767.6 Ų67.64%0.03641%0.407CS..EExtended strand (participates in β ladder)trans-100.6113.7174.7-57.7179.6000108.3I32 L38 A42 V52 T53 I55I30-I32 HydrophobicContact CG2-CB 4.28Å; I30-I32 HydrophobicContact CG2-CD1 3.9Å; I30-I32 HydrophobicContact CG2-CG1 3.92Å; I30-L38 HydrophobicContact CG2-CG 4.24Å; I30-A42 HydrophobicContact CD1-CB 3.88Å; I30-V52 HydrophobicContact CD1-CG1 3.6Å; I30-V52 HydrophobicContact CD1-CG2 4.39Å; I30-V52 HydrophobicContact CG1-CG1 4.15Å; I30-T53 PolarHBondContact N-O 3.44Å; I30-I55 PolarHBondContact O-N 2.91Å
31F78.1Confident84.2Confident107 Ų10767.3 Ų67.347%0.46939%0.388SS..  trans-117.574.1-179.8-172.2-103.7000109.4I55 D56 P57F31-I55 HydrophobicContact CD2-CB 3.81Å; F31-I55 HydrophobicContact CD2-CG2 3.54Å; F31-I55 HydrophobicContact CE2-CG2 3.88Å; F31-D56 WeakPolarHBondContact CE2-O 3.43Å; F31-P57 HydrophobicContact CD2-CB 4.39Å; F31-P57 HydrophobicContact CE1-CB 4.42Å; F31-P57 HydrophobicContact CE2-CB 4.33Å; F31-P57 HydrophobicContact CZ-CB 4.32Å; F31-P57 WeakPolarHBondContact CZ-O 3.35Å
32I75.5Confident84.2Confident42 Ų4265 Ų6522%0.21536%0.364CS..  trans-136.3136.3-174.4-54.4177.3000108.6I30 H37 Y41I30-I32 HydrophobicContact CG2-CB 4.28Å; I30-I32 HydrophobicContact CG2-CD1 3.9Å; I30-I32 HydrophobicContact CG2-CG1 3.92Å; I32-H37 HydrophobicContact CD1-CB 4.48Å; I32-H37 HydrophobicContact CG2-CB 4.48Å; I32-Y41 HydrophobicContact CD1-CD2 3.48Å; I32-Y41 VanDerWaalsContact CD1-CD2 3.48Å; I32-Y41 HydrophobicContact CD1-CE2 3.79Å; I32-Y41 HydrophobicContact CD1-CG 4.4Å
33P71.3Confident84.5Confident65 Ų6566.2 Ų66.242%0.42237%0.372SS..  trans-52.8157.6171-26.735.3000113.4S35 P57P33-S35 WeakPolarHBondContact O-CB 3.45Å; P33-S35 PolarHBondContact O-N 3.04Å; P33-S35 PolarHBondContact O-OG 3.34Å; P33-P57 HydrophobicContact CB-CG 4.45Å; P33-P57 HydrophobicContact CG-CB 4.41Å; P33-P57 HydrophobicContact CG-CG 4.29Å
34D77.4Confident84.9Confident155 Ų15562.9 Ų62.983%0.82935%0.348SS*.SBendtrans-48.2104174.4-78.2-2.2000110.7
35S83.9Confident84.8Confident49 Ų4954.2 Ų54.234%0.34331%0.311SS..SBendtrans-163.3161.3-174.968.10000109.2P33 H37 L38P33-S35 WeakPolarHBondContact O-CB 3.45Å; P33-S35 PolarHBondContact O-N 3.04Å; P33-S35 PolarHBondContact O-OG 3.34Å; S35-H37 PolarHBondContact O-N 3.25Å; S35-H37 VanDerWaalsContact O-N 3.1Å; S35-L38 PolarHBondContact O-N 2.98Å
36S86.1Confident85.1Confident49 Ų4959.2 Ų59.234%0.34332%0.316SS..Hα-helixtrans-65.6-14.8178.562.70000113.9L38 L39 V40S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L39 PolarHBondContact O-N 3.25Å; S36-V40 WeakPolarHBondContact O-CG2 3.27Å; S36-V40 PolarHBondContact O-N 3.22Å
37H85.9Confident85.6Confident97 Ų9761.1 Ų61.145%0.44932%0.323SS..Hα-helixtrans-68.5-31.5176.7-70.4-75.3000112.7I32 S35 L39 V40 Y41I32-H37 HydrophobicContact CD1-CB 4.48Å; I32-H37 HydrophobicContact CG2-CB 4.48Å; S35-H37 PolarHBondContact O-N 3.25Å; S35-H37 VanDerWaalsContact O-N 3.1Å; H37-L39 PolarHBondContact O-N 3.36Å; H37-V40 PolarHBondContact O-N 3.12Å; H37-V40 VanDerWaalsContact O-N 3.12Å; H37-Y41 HydrophobicContact CB-CD2 4.31Å; H37-Y41 HydrophobicContact CB-CE2 4.36Å; H37-Y41 VanDerWaalsContact O-CD2 3.23Å; H37-Y41 WeakPolarHBondContact O-CD2 3.42Å; H37-Y41 PolarHBondContact O-N 3.05Å
38L86.4Confident85.8Confident35 Ų3558.8 Ų58.818%0.18331%0.307CS..Hα-helixtrans-55.4-45.3174.3-176.7154.6000110.7I30 S35 S36 A42 V54I30-L38 HydrophobicContact CG2-CG 4.24Å; S35-L38 PolarHBondContact O-N 2.98Å; S36-L38 VanDerWaalsContact C-N 3.34Å; L38-A42 WeakPolarHBondContact O-CB 3.33Å; L38-A42 PolarHBondContact O-N 2.86Å; L38-V54 HydrophobicContact CD1-CG1 3.84Å; L38-V54 HydrophobicContact CD2-CG2 4.5Å
39L89.9Confident86.2Confident98 Ų9858.4 Ų58.451%0.51331%0.311SS..Hα-helixtrans-69-39.1177-64.2177.4000112.4S36 H37 A42 V43S36-L39 PolarHBondContact O-N 3.25Å; H37-L39 PolarHBondContact O-N 3.36Å; L39-A42 PolarHBondContact O-N 3.17Å; L39-V43 WeakPolarHBondContact O-CB 3.21Å; L39-V43 VanDerWaalsContact O-CG2 3.24Å; L39-V43 WeakPolarHBondContact O-CG2 3.03Å; L39-V43 PolarHBondContact O-N 2.99Å
40V91.6Very high86.3Confident3 Ų356.1 Ų56.12%0.01829%0.293CS..Hα-helixtrans-58.6-51.5176.3167.70000110.8M1 M6 A9 I10 A13 S36 H37 V43 A44M1-V40 HydrophobicContact CE-CG2 3.94Å; M1-V40 HydrophobicContact SD-CG2 4.06Å; M6-V40 HydrophobicContact CG-CG2 4.12Å; A9-V40 VanDerWaalsContact C-CG1 3.49Å; A9-V40 HydrophobicContact CB-CG1 3.82Å; A9-V40 HydrophobicContact CB-CG2 3.94Å; A9-V40 WeakPolarHBondContact O-CG1 2.77Å; I10-V40 HydrophobicContact CG1-CB 4.4Å; I10-V40 HydrophobicContact CG1-CG1 4.13Å; I10-V40 HydrophobicContact CG1-CG2 4.44Å; A13-V40 HydrophobicContact CB-CG1 4Å; S36-V40 WeakPolarHBondContact O-CG2 3.27Å; S36-V40 PolarHBondContact O-N 3.22Å; H37-V40 PolarHBondContact O-N 3.12Å; H37-V40 VanDerWaalsContact O-N 3.12Å; V40-V43 PolarHBondContact O-N 2.89Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.96Å
41Y89.9Confident86.4Confident83 Ų8360.4 Ų60.433%0.32531%0.314SS..Hα-helixtrans-68.4-39.6179.4-76.5-72.1000111.9A13 I17 I32 H37 V43 A44 V45A13-Y41 HydrophobicContact CB-CD1 4.01Å; A13-Y41 HydrophobicContact CB-CE1 3.95Å; I17-Y41 HydrophobicContact CD1-CD1 3.89Å; I17-Y41 HydrophobicContact CG1-CD1 4.46Å; I32-Y41 HydrophobicContact CD1-CD2 3.48Å; I32-Y41 VanDerWaalsContact CD1-CD2 3.48Å; I32-Y41 HydrophobicContact CD1-CE2 3.79Å; I32-Y41 HydrophobicContact CD1-CG 4.4Å; H37-Y41 HydrophobicContact CB-CD2 4.31Å; H37-Y41 HydrophobicContact CB-CE2 4.36Å; H37-Y41 VanDerWaalsContact O-CD2 3.23Å; H37-Y41 WeakPolarHBondContact O-CD2 3.42Å; H37-Y41 PolarHBondContact O-N 3.05Å; Y41-V43 PolarHBondContact O-N 3.28Å; Y41-A44 PolarHBondContact O-N 3.49Å; Y41-V45 WeakPolarHBondContact O-CB 3.29Å; Y41-V45 VanDerWaalsContact O-CG2 3.23Å; Y41-V45 WeakPolarHBondContact O-CG2 3.47Å; Y41-V45 PolarHBondContact O-N 2.84Å
42A89.4Confident86.7Confident4 Ų456.7 Ų56.73%0.03330%0.301CS..Hα-helixtrans-60.3-46.3177.200000111.6I30 L38 L39 V45 W46 V52I30-A42 HydrophobicContact CD1-CB 3.88Å; L38-A42 WeakPolarHBondContact O-CB 3.33Å; L38-A42 PolarHBondContact O-N 2.86Å; L39-A42 PolarHBondContact O-N 3.17Å; A42-V45 PolarHBondContact O-N 2.85Å; A42-W46 HydrophobicContact CB-CH2 4.22Å; A42-W46 HydrophobicContact CB-CZ2 4.37Å; A42-W46 HydrophobicContact CB-CZ3 4.36Å; A42-W46 VanDerWaalsContact O-CD2 3.23Å; A42-W46 VanDerWaalsContact O-CG 3.22Å; A42-W46 PolarHBondContact O-N 2.77Å; A42-V52 HydrophobicContact CB-CG1 4.2Å; A42-V52 HydrophobicContact CB-CG2 4.08Å
43V92.9Very high86.8Confident42 Ų4257.7 Ų57.726%0.25531%0.309SS..Hα-helixtrans-66.9-39.2177.6176.30000111.5I10 L39 V40 Y41 W46 Q47I10-V43 HydrophobicContact CD1-CB 4.01Å; I10-V43 HydrophobicContact CD1-CG1 3.73Å; I10-V43 HydrophobicContact CG1-CB 4.27Å; I10-V43 HydrophobicContact CG1-CG1 4.26Å; I10-V43 HydrophobicContact CG2-CG1 4.12Å; L39-V43 WeakPolarHBondContact O-CB 3.21Å; L39-V43 VanDerWaalsContact O-CG2 3.24Å; L39-V43 WeakPolarHBondContact O-CG2 3.03Å; L39-V43 PolarHBondContact O-N 2.99Å; V40-V43 PolarHBondContact O-N 2.89Å; Y41-V43 PolarHBondContact O-N 3.28Å; V43-W46 HydrophobicContact CG2-CE3 4.12Å; V43-W46 HydrophobicContact CG2-CZ3 4.17Å; V43-W46 PolarHBondContact O-N 3.46Å; V43-Q47 HydrophobicContact CG1-CG 4.33Å; V43-Q47 WeakPolarHBondContact O-CG 3.36Å; V43-Q47 PolarHBondContact O-N 2.92Å
44A91.6Very high87.3Confident0 Ų058.2 Ų58.20%031%0.311CS..Hα-helixtrans-62-47.3176.800000112I10 A13 N14 I17 V40 Y41 W46 Q47 L48I10-A44 HydrophobicContact CG2-CB 4.4Å; A13-A44 HydrophobicContact CB-CB 3.72Å; N14-A44 WeakPolarHBondContact OD1-CA 3.42Å; N14-A44 VanDerWaalsContact OD1-CB 3.22Å; N14-A44 WeakPolarHBondContact OD1-CB 3.46Å; N14-A44 PolarHBondContact OD1-O 3.44Å; I17-A44 HydrophobicContact CD1-CB 3.73Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.96Å; Y41-A44 PolarHBondContact O-N 3.49Å; A44-W46 VanDerWaalsContact C-N 3.32Å; A44-W46 PolarHBondContact O-N 2.81Å; A44-Q47 PolarHBondContact O-N 3.11Å; A44-Q47 VanDerWaalsContact O-N 3.16Å; A44-L48 PolarHBondContact O-N 3.09Å; A44-L48 VanDerWaalsContact O-N 3.13Å
45V88.7Confident86.8Confident0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-57.7-44.9174.5171.90000111I17 M22 V28 Y41 A42 Q47 L48 G49 G50 V52I17-V45 HydrophobicContact CD1-CG2 3.81Å; M22-V45 HydrophobicContact CE-CG1 4.34Å; V28-V45 HydrophobicContact CB-CB 4.49Å; V28-V45 HydrophobicContact CB-CG1 3.91Å; V28-V45 HydrophobicContact CB-CG2 3.7Å; V28-V45 HydrophobicContact CG1-CG2 3.72Å; V28-V45 HydrophobicContact CG2-CG1 3.82Å; V28-V45 HydrophobicContact CG2-CG2 3.83Å; Y41-V45 WeakPolarHBondContact O-CB 3.29Å; Y41-V45 VanDerWaalsContact O-CG2 3.23Å; Y41-V45 WeakPolarHBondContact O-CG2 3.47Å; Y41-V45 PolarHBondContact O-N 2.84Å; A42-V45 PolarHBondContact O-N 2.85Å; V45-Q47 PolarHBondContact O-N 3.04Å; V45-L48 PolarHBondContact O-N 2.87Å; V45-G49 PolarHBondContact O-N 2.88Å; V45-G50 PolarHBondContact O-N 3.26Å; V45-V52 HydrophobicContact CB-CG2 3.71Å; V45-V52 HydrophobicContact CG1-CG2 3.61Å; V45-V52 HydrophobicContact CG2-CG2 4.42Å
46W93.4Very high85.9Confident149 Ų14954.9 Ų54.956%0.56429%0.288SS*.Hα-helixtrans-64.6-38177.3-66.8-30.2000113.1A42 V43 A44 L48 G49 V52A42-W46 HydrophobicContact CB-CH2 4.22Å; A42-W46 HydrophobicContact CB-CZ2 4.37Å; A42-W46 HydrophobicContact CB-CZ3 4.36Å; A42-W46 VanDerWaalsContact O-CD2 3.23Å; A42-W46 VanDerWaalsContact O-CG 3.22Å; A42-W46 PolarHBondContact O-N 2.77Å; V43-W46 HydrophobicContact CG2-CE3 4.12Å; V43-W46 HydrophobicContact CG2-CZ3 4.17Å; V43-W46 PolarHBondContact O-N 3.46Å; A44-W46 VanDerWaalsContact C-N 3.32Å; A44-W46 PolarHBondContact O-N 2.81Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 3.11Å; W46-G49 WeakPolarHBondContact O-CA 3.24Å; W46-G49 PolarHBondContact O-N 2.99Å; W46-V52 HydrophobicContact CG-CG2 4.46Å; W46-V52 HydrophobicContact CZ2-CB 4.49Å; W46-V52 HydrophobicContact CZ2-CG2 4.43Å
47Q92.7Very high84.5Confident112 Ų11253.8 Ų53.852%0.52328%0.28SS..Hα-helixtrans-64.7-31.2177.6-77.7-176.4-2.800112.7N14 V43 A44 V45 G49N14-Q47 PolarHBondContact ND2-OE1 3.27Å; V43-Q47 HydrophobicContact CG1-CG 4.33Å; V43-Q47 WeakPolarHBondContact O-CG 3.36Å; V43-Q47 PolarHBondContact O-N 2.92Å; A44-Q47 PolarHBondContact O-N 3.11Å; A44-Q47 VanDerWaalsContact O-N 3.16Å; V45-Q47 PolarHBondContact O-N 3.04Å; Q47-G49 VanDerWaalsContact C-N 3.27Å
48L89.4Confident83.2Confident44 Ų4455.5 Ų55.523%0.2328%0.283CS..THydrogen-bonded Turntrans-82.8-3.1173.1-63.9172000113.1I17 H18 M22 A44 V45 W46I17-L48 HydrophobicContact CB-CD1 3.86Å; I17-L48 HydrophobicContact CG2-CD1 3.62Å; H18-L48 HydrophobicContact CB-CD1 3.75Å; H18-L48 HydrophobicContact CB-CD2 3.94Å; H18-L48 HydrophobicContact CB-CG 4.48Å; M22-L48 HydrophobicContact CE-CB 3.72Å; M22-L48 HydrophobicContact SD-CB 3.46Å; M22-L48 WeakPolarHBondContact SD-CB 3.24Å; M22-L48 HydrophobicContact SD-CD1 3.61Å; M22-L48 HydrophobicContact SD-CG 4.2Å; A44-L48 PolarHBondContact O-N 3.09Å; A44-L48 VanDerWaalsContact O-N 3.13Å; V45-L48 PolarHBondContact O-N 2.87Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 3.11Å
49G89.5Confident81.6Confident29 Ų2959.5 Ų59.530%0.29930%0.304SS..THydrogen-bonded Turntrans84.221.1177.600000114.7G25 V45 W46 Q47G25-G49 PolarHBondContact N-O 3.38Å; V45-G49 PolarHBondContact O-N 2.88Å; W46-G49 WeakPolarHBondContact O-CA 3.24Å; W46-G49 PolarHBondContact O-N 2.99Å; Q47-G49 VanDerWaalsContact C-N 3.27Å
50G88.3Confident79.4Confident9 Ų956.4 Ų56.49%0.09329%0.291CS..  trans-87.3173.6176.700000113.9D26 V45D26-G50 CarbonylContact O-C 3.55Å; D26-G50 WeakPolarHBondContact O-CA 3.38Å; V45-G50 PolarHBondContact O-N 3.26Å
51I82.9Confident77.3Confident96 Ų9660.6 Ų60.649%0.49233%0.326SS..EExtended strand (participates in β ladder)trans-109.6126.9177.5-58.3168.7000107.6D26 V27 V28D26-I51 PolarHBondContact O-N 3.12Å; V27-I51 CarbonylContact C-O 3.55Å; V27-I51 WeakPolarHBondContact CA-O 3.49Å; V27-I51 HydrophobicContact CG2-CB 4.17Å; V27-I51 HydrophobicContact CG2-CD1 4.34Å; V27-I51 HydrophobicContact CG2-CG2 4.45Å; V28-I51 PolarHBondContact N-O 2.83Å
52V83.8Confident75.2Confident30 Ų3062.2 Ų62.218%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-91.1129.5177.9174.40000109I30 A42 V45 W46 V54I30-V52 HydrophobicContact CD1-CG1 3.6Å; I30-V52 HydrophobicContact CD1-CG2 4.39Å; I30-V52 HydrophobicContact CG1-CG1 4.15Å; A42-V52 HydrophobicContact CB-CG1 4.2Å; A42-V52 HydrophobicContact CB-CG2 4.08Å; V45-V52 HydrophobicContact CB-CG2 3.71Å; V45-V52 HydrophobicContact CG1-CG2 3.61Å; V45-V52 HydrophobicContact CG2-CG2 4.42Å; W46-V52 HydrophobicContact CG-CG2 4.46Å; W46-V52 HydrophobicContact CZ2-CB 4.49Å; W46-V52 HydrophobicContact CZ2-CG2 4.43Å; V52-V54 HydrophobicContact CG1-CG2 4.07Å
53T78.2Confident72.8Confident63 Ų6365.6 Ų65.639%0.38737%0.372SS..EExtended strand (participates in β ladder)trans-115.6128.4158.8-171.20000108.3V27 V28 A29 I30V27-T53 HydrophobicContact CG1-CG2 3.81Å; V28-T53 PolarHBondContact O-N 3.44Å; A29-T53 CarbonylContact C-O 3.59Å; A29-T53 VanDerWaalsContact CA-O 3.27Å; A29-T53 WeakPolarHBondContact CA-O 3.25Å; A29-T53 HydrophobicContact CB-CG2 3.84Å; I30-T53 PolarHBondContact N-O 3.44Å
54V80.6Confident70.9Confident76 Ų7668.4 Ų68.446%0.46138%0.381SS..EExtended strand (participates in β ladder)trans-91.9127.2175.2-177.30000107.2L38 V52L38-V54 HydrophobicContact CD1-CG1 3.84Å; L38-V54 HydrophobicContact CD2-CG2 4.5Å; V52-V54 HydrophobicContact CG1-CG2 4.07Å
55I67.7Low69.2Low67 Ų6773.6 Ų73.634%0.34441%0.412SS..PPolyproline II helixtrans-103.5121.8170-56.7179.7000105.4A29 I30 F31 P57A29-I55 HydrophobicContact CB-CD1 3.65Å; A29-I55 HydrophobicContact CB-CG1 4.14Å; I30-I55 PolarHBondContact O-N 2.91Å; F31-I55 HydrophobicContact CD2-CB 3.81Å; F31-I55 HydrophobicContact CD2-CG2 3.54Å; F31-I55 HydrophobicContact CE2-CG2 3.88Å; I55-P57 WeakPolarHBondContact O-CD 3.18Å; I55-P57 VanDerWaalsContact O-N 3.08Å
56D65.7Low68.4Low67 Ų6779.3 Ų79.336%0.35844%0.443SS..PPolyproline II helixtrans-55119.5172.5163.413.3000107.8F31 Y58 L59F31-D56 WeakPolarHBondContact CE2-O 3.43Å; D56-Y58 PolarHBondContact O-N 2.84Å; D56-Y58 VanDerWaalsContact O-N 3.1Å; D56-Y58 WeakPolarHBondContact OD1-CA 3.24Å; D56-Y58 VanDerWaalsContact OD1-CB 3.25Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.4Å; D56-Y58 WeakPolarHBondContact OD1-CD2 3.34Å; D56-Y58 PolarHBondContact OD1-N 2.86Å; D56-L59 HydrophobicContact CB-CB 3.83Å; D56-L59 HydrophobicContact CB-CD1 4.04Å; D56-L59 VanDerWaalsContact O-CA 3.29Å; D56-L59 WeakPolarHBondContact O-CA 3.3Å; D56-L59 WeakPolarHBondContact O-CB 3.36Å; D56-L59 PolarHBondContact O-N 3.44Å
57P56.6Low67.7Low25 Ų2576.4 Ų76.416%0.16244%0.438CS..THydrogen-bonded Turntrans-61.7-18.3-177.526.5-35.1000112.9F31 P33 I55F31-P57 HydrophobicContact CD2-CB 4.39Å; F31-P57 HydrophobicContact CE1-CB 4.42Å; F31-P57 HydrophobicContact CE2-CB 4.33Å; F31-P57 HydrophobicContact CZ-CB 4.32Å; F31-P57 WeakPolarHBondContact CZ-O 3.35Å; P33-P57 HydrophobicContact CB-CG 4.45Å; P33-P57 HydrophobicContact CG-CB 4.41Å; P33-P57 HydrophobicContact CG-CG 4.29Å; I55-P57 WeakPolarHBondContact O-CD 3.18Å; I55-P57 VanDerWaalsContact O-N 3.08Å
58Y58.5Low67.2Low134 Ų13473 Ų7353%0.52543%0.428SS..THydrogen-bonded Turntrans-88.2-15.5173.7-50.1-70.2000111.8D56 S60D56-Y58 PolarHBondContact O-N 2.84Å; D56-Y58 VanDerWaalsContact O-N 3.1Å; D56-Y58 WeakPolarHBondContact OD1-CA 3.24Å; D56-Y58 VanDerWaalsContact OD1-CB 3.25Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.4Å; D56-Y58 WeakPolarHBondContact OD1-CD2 3.34Å; D56-Y58 PolarHBondContact OD1-N 2.86Å; Y58-S60 PolarHBondContact O-N 3.28Å; Y58-S60 VanDerWaalsContact O-N 3.09Å
59L52.6Low67Low118 Ų11872.6 Ų72.662%0.61843%0.427SS*.  trans-79.685.7169.5-127.4110.3000109.6D56D56-L59 HydrophobicContact CB-CB 3.83Å; D56-L59 HydrophobicContact CB-CD1 4.04Å; D56-L59 VanDerWaalsContact O-CA 3.29Å; D56-L59 WeakPolarHBondContact O-CA 3.3Å; D56-L59 WeakPolarHBondContact O-CB 3.36Å; D56-L59 PolarHBondContact O-N 3.44Å
60S43.8Very low66.7Low34 Ų3474.1 Ų74.124%0.23843%0.43CS..  trans-136.6123.4157.465.30000110.4Y58 V62 A63Y58-S60 PolarHBondContact O-N 3.28Å; Y58-S60 VanDerWaalsContact O-N 3.09Å; S60-V62 PolarHBondContact O-N 2.98Å; S60-A63 WeakPolarHBondContact OG-CA 3.4Å; S60-A63 WeakPolarHBondContact OG-CB 3.19Å; S60-A63 PolarHBondContact OG-N 3.37Å
61A47.5Very low66.2Low91 Ų9174 Ų7475%0.75243%0.427SS*.SBendtrans-62.2-3.3162.600000112.2
62V44.7Very low66.1Low117 Ų11774.8 Ų74.871%0.70943%0.431SS*.SBendtrans-121.7-20.6-171.9-169.90000114S60 K64 V65S60-V62 PolarHBondContact O-N 2.98Å; V62-K64 PolarHBondContact O-N 3.02Å; V62-V65 WeakPolarHBondContact O-CG2 3.5Å
63A40.7Very low65.7Low75 Ų7575.7 Ų75.762%0.6244%0.435SS*.SBendtrans-79.911.6169.600000113.3S60 V65S60-A63 WeakPolarHBondContact OG-CA 3.4Å; S60-A63 WeakPolarHBondContact OG-CB 3.19Å; S60-A63 PolarHBondContact OG-N 3.37Å; A63-V65 PolarHBondContact O-N 3.07Å; A63-V65 VanDerWaalsContact O-N 3.13Å
64K51.5Low65.7Low101 Ų10177.1 Ų77.144%0.43944%0.437SS..THydrogen-bonded Turntrans-74.217.6175.6-70.1-172.2173.4-173.70114.7V62 T87V62-K64 PolarHBondContact O-N 3.02Å; K64-T87 HydrophobicContact CB-CG2 4.37Å; K64-T87 VanDerWaalsContact O-CG2 3.31Å; K64-T87 WeakPolarHBondContact O-CG2 3.4Å
65V56.7Low65.4Low109 Ų10976.2 Ų76.266%0.66143%0.426SS*.THydrogen-bonded Turntrans-91.7-33.9-167.7-164.10000113V62 A63 L67V62-V65 WeakPolarHBondContact O-CG2 3.5Å; A63-V65 PolarHBondContact O-N 3.07Å; A63-V65 VanDerWaalsContact O-N 3.13Å; V65-L67 PolarHBondContact O-N 3.09Å
66D70.7Confident65.3Low120 Ų12075.7 Ų75.764%0.64243%0.428SS*.  trans-85.5104.7-177.2-69.4-10.6000110.9A68 T87 H88D66-A68 PolarHBondContact O-N 3.21Å; D66-T87 WeakPolarHBondContact O-CA 3.2Å; D66-H88 PolarHBondContact O-N 3.12Å
67L79.1Confident65.5Low88 Ų8879.8 Ų79.846%0.46144%0.443SS..EExtended strand (participates in β ladder)trans-62.2123.6169.3-62.4-177.4000109.4V65 P85 T87 L276V65-L67 PolarHBondContact O-N 3.09Å; L67-P85 HydrophobicContact CD1-CB 4.39Å; L67-P85 HydrophobicContact CD2-CB 3.54Å; L67-T87 HydrophobicContact CD2-CG2 4.48Å; L67-L276 HydrophobicContact CD1-CD1 4.19Å
68A83.8Confident66.4Low39 Ų3981.9 Ų81.932%0.32246%0.455SS..EExtended strand (participates in β ladder)trans-85.3-41.3171.900000111.2D66 F86 H88 V91D66-A68 PolarHBondContact O-N 3.21Å; A68-F86 PolarHBondContact N-O 3.24Å; A68-H88 HydrophobicContact CB-CB 4.37Å; A68-V91 HydrophobicContact CB-CG2 3.7Å
69L83.6Confident67.2Low37 Ų3779.1 Ų79.119%0.19446%0.455CS..EExtended strand (participates in β ladder)trans-158.5160.2-179.963.9101.8000111.7V71 F86 V91 L125 L219L69-V71 HydrophobicContact CD1-CG2 3.52Å; L69-F86 HydrophobicContact CD1-CB 4.22Å; L69-F86 HydrophobicContact CD1-CD2 3.75Å; L69-F86 HydrophobicContact CD1-CG 4.42Å; L69-F86 HydrophobicContact CG-CB 4.14Å; L69-F86 PolarHBondContact N-O 3.38Å; L69-F86 VanDerWaalsContact N-O 3.15Å; L69-F86 PolarHBondContact O-N 3.48Å; L69-V91 HydrophobicContact CD2-CG2 3.53Å; L69-V91 HydrophobicContact CG-CG2 4.25Å; L69-L125 HydrophobicContact CD1-CD2 4.02Å; L69-L125 HydrophobicContact CD2-CD2 3.79Å; L69-L125 HydrophobicContact CG-CD2 4.45Å; L69-L219 HydrophobicContact CD2-CD2 4.25Å
70V83.1Confident68.5Low61 Ų6179.1 Ų79.137%0.3745%0.452SS..EExtended strand (participates in β ladder)trans-123.5121.4173.1178.70000107.6A83 I84 L276V70-A83 HydrophobicContact CG1-CB 3.73Å; V70-I84 WeakPolarHBondContact CA-O 3.31Å; V70-L276 HydrophobicContact CG1-CD2 4.36Å
71V79.6Confident70.2Confident6 Ų683.8 Ų83.84%0.03647%0.474CS..EExtended strand (participates in β ladder)trans-92.5132.5172.1178.80000108.1L69 I84 F86 A122L69-V71 HydrophobicContact CD1-CG2 3.52Å; V71-I84 PolarHBondContact N-O 3.43Å; V71-I84 PolarHBondContact O-N 3.02Å; V71-F86 HydrophobicContact CB-CE2 4.13Å; V71-F86 HydrophobicContact CG2-CD2 3.98Å; V71-F86 HydrophobicContact CG2-CE2 3.77Å; V71-A122 HydrophobicContact CG1-CB 4.46Å; V71-A122 HydrophobicContact CG2-CB 4.3Å
72I79.9Confident71.7Confident113 Ų11380 Ų8058%0.57944%0.442SS*.EExtended strand (participates in β ladder)trans-101.7124.7172.1-60.3175.3000107.4L81 A82I72-L81 HydrophobicContact CG2-CB 4.17Å; I72-L81 HydrophobicContact CG2-CD1 4.48Å; I72-L81 HydrophobicContact CG2-CD2 4.25Å; I72-A82 WeakPolarHBondContact CA-O 3.37Å
73D75.7Confident73.3Confident48 Ų4875.8 Ų75.826%0.25742%0.42SS..EExtended strand (participates in β ladder)trans-140.6161.8176.6-148.3-20.8000111.6L81 A82 I84 S216D73-L81 CarbonylContact O-C 3.6Å; D73-L81 WeakPolarHBondContact O-CA 3.41Å; D73-A82 PolarHBondContact N-O 2.89Å; D73-A82 PolarHBondContact O-N 3.05Å; D73-I84 HydrophobicContact CB-CD1 4.29Å; D73-S216 WeakPolarHBondContact OD2-CB 3.46Å; D73-S216 PolarHBondContact OD2-OG 2.85Å
74Q77.1Confident75.5Confident94 Ų9472.3 Ų72.344%0.43939%0.391SS..EExtended strand (participates in β ladder)trans-86.2126.2178-175.4174.7-20.500110.3S76 S79 E80 L81Q74-S76 PolarHBondContact O-N 3.31Å; Q74-S79 PolarHBondContact NE2-OG 3.02Å; Q74-S79 VanDerWaalsContact NE2-OG 3.16Å; Q74-E80 WeakPolarHBondContact CA-O 3.12Å; Q74-L81 HydrophobicContact CB-CD2 4.44Å
75R75.2Confident77.1Confident56 Ų5668.1 Ų68.121%0.21137%0.374CS..  trans-65.4130.3176-61.2-17977168.77.2110K77 S79 E80 A82 E279R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.74Å; R75-S79 WeakPolarHBondContact O-CA 3.48Å; R75-S79 PolarHBondContact O-N 3.34Å; R75-E80 PolarHBondContact N-O 2.78Å; R75-A82 HydrophobicContact CG-CB 3.68Å; R75-E279 IonicContact CZ-OE1 2.75Å; R75-E279 IonicContact CZ-OE2 3.23Å; R75-E279 IonicContact NH1-OE1 3.41Å; R75-E279 PolarHBondContact NH1-OE1 3.19Å; R75-E279 IonicContact NH1-OE2 2.81Å; R75-E279 PolarHBondContact NH1-OE2 3.31Å; R75-E279 IonicContact NH2-OE1 3.06Å; R75-E279 PolarHBondContact NH2-OE1 2.8Å; R75-E279 IonicContact NH2-OE2 3.96Å; R75-E279 PolarHBondContact NH2-OE2 3.01Å
76S65.6Low78.6Confident56 Ų5663 Ų6339%0.39234%0.343SS..THydrogen-bonded Turntrans-57.6-38.1-178.856.10000113.4Q74Q74-S76 PolarHBondContact O-N 3.31Å
77K68.7Low79.3Confident154 Ų15457.8 Ų57.867%0.6732%0.316SS*.THydrogen-bonded Turntrans-84.4-38.4-175.3-66.1-176.5-178.2175.70114.3R75 N291R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.74Å; K77-N291 WeakPolarHBondContact CE-OD1 3.42Å; K77-N291 PolarHBondContact NZ-OD1 3.02Å
78T75.7Confident79.5Confident68 Ų6859 Ų5942%0.41732%0.319SS..THydrogen-bonded Turntrans-106.4-13.2-171.564.90000113.6E80T78-E80 PolarHBondContact O-N 2.92Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 WeakPolarHBondContact OG1-CB 3.48Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.25Å
79S75.3Confident79.5Confident77 Ų7761 Ų6154%0.53832%0.318SS..  trans59.212.5-170.5-64.90000115Q74 R75Q74-S79 PolarHBondContact NE2-OG 3.02Å; Q74-S79 VanDerWaalsContact NE2-OG 3.16Å; R75-S79 WeakPolarHBondContact O-CA 3.48Å; R75-S79 PolarHBondContact O-N 3.34Å
80E80.3Confident79.8Confident118 Ų11859.9 Ų59.955%0.55131%0.313SS*.  trans-82.3151.5174-64.4172.6155.300110.6Q74 R75 T78Q74-E80 WeakPolarHBondContact CA-O 3.12Å; R75-E80 PolarHBondContact N-O 2.78Å; T78-E80 PolarHBondContact O-N 2.92Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 WeakPolarHBondContact OG1-CB 3.48Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 3.25Å
81L79.6Confident80Confident131 Ų13157.8 Ų57.869%0.68630%0.3SS*.EExtended strand (participates in β ladder)trans-75.7130.8172.1-63.3177.6000110.1I72 D73 Q74I72-L81 HydrophobicContact CG2-CB 4.17Å; I72-L81 HydrophobicContact CG2-CD1 4.48Å; I72-L81 HydrophobicContact CG2-CD2 4.25Å; D73-L81 CarbonylContact O-C 3.6Å; D73-L81 WeakPolarHBondContact O-CA 3.41Å; Q74-L81 HydrophobicContact CB-CD2 4.44Å
82A79Confident80.4Confident11 Ų1161.3 Ų61.39%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-118.5138.8173.200000110.5I72 D73 R75 Y275I72-A82 WeakPolarHBondContact CA-O 3.37Å; D73-A82 PolarHBondContact N-O 2.89Å; D73-A82 PolarHBondContact O-N 3.05Å; R75-A82 HydrophobicContact CG-CB 3.68Å; A82-Y275 HydrophobicContact CB-CD1 3.7Å; A82-Y275 HydrophobicContact CB-CE1 3.5Å; A82-Y275 HydrophobicContact CB-CG 4.41Å
83A79.4Confident80.9Confident29 Ų2956.5 Ų56.524%0.2430%0.299CS..EExtended strand (participates in β ladder)trans-96.5121173.800000109.2V70 P85 L276V70-A83 HydrophobicContact CG1-CB 3.73Å; A83-P85 WeakPolarHBondContact O-CD 3.5Å; A83-L276 HydrophobicContact CB-CB 3.74Å; A83-L276 HydrophobicContact CB-CD2 4Å; A83-L276 PolarHBondContact O-N 3.34Å
84I85.9Confident81.7Confident2 Ų254.2 Ų54.21%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-110104.8-173.3-58.7161.7000107.8V70 V71 D73 F86 S216 A272 Y275V70-I84 WeakPolarHBondContact CA-O 3.31Å; V71-I84 PolarHBondContact N-O 3.43Å; V71-I84 PolarHBondContact O-N 3.02Å; D73-I84 HydrophobicContact CB-CD1 4.29Å; I84-F86 HydrophobicContact CB-CE2 4.29Å; I84-F86 HydrophobicContact CG2-CD2 4.34Å; I84-F86 HydrophobicContact CG2-CE1 4.25Å; I84-F86 HydrophobicContact CG2-CE2 3.6Å; I84-F86 HydrophobicContact CG2-CZ 3.55Å; I84-S216 WeakPolarHBondContact CD1-O 3.23Å; I84-A272 HydrophobicContact CG2-CB 3.54Å; I84-Y275 HydrophobicContact CD1-CE1 4.32Å; I84-Y275 HydrophobicContact CG1-CD1 3.81Å; I84-Y275 HydrophobicContact CG1-CE1 3.74Å
85P85.5Confident82.2Confident14 Ų1451.2 Ų51.29%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-77.3130.4-179.929-31.5000111.3L67 A83 T274 L276L67-P85 HydrophobicContact CD1-CB 4.39Å; L67-P85 HydrophobicContact CD2-CB 3.54Å; A83-P85 WeakPolarHBondContact O-CD 3.5Å; P85-T274 WeakPolarHBondContact CD-O 3.35Å; P85-T274 VanDerWaalsContact CG-O 3.31Å; P85-T274 WeakPolarHBondContact CG-O 3.18Å; P85-L276 HydrophobicContact CB-CD1 4.39Å
86F87.3Confident82.8Confident0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-117.7128169.5-66.3-71.9000109.9A68 L69 V71 I84 N90 V91 S216 L219 A272A68-F86 PolarHBondContact N-O 3.24Å; L69-F86 HydrophobicContact CD1-CB 4.22Å; L69-F86 HydrophobicContact CD1-CD2 3.75Å; L69-F86 HydrophobicContact CD1-CG 4.42Å; L69-F86 HydrophobicContact CG-CB 4.14Å; L69-F86 PolarHBondContact N-O 3.38Å; L69-F86 VanDerWaalsContact N-O 3.15Å; L69-F86 PolarHBondContact O-N 3.48Å; V71-F86 HydrophobicContact CB-CE2 4.13Å; V71-F86 HydrophobicContact CG2-CD2 3.98Å; V71-F86 HydrophobicContact CG2-CE2 3.77Å; I84-F86 HydrophobicContact CB-CE2 4.29Å; I84-F86 HydrophobicContact CG2-CD2 4.34Å; I84-F86 HydrophobicContact CG2-CE1 4.25Å; I84-F86 HydrophobicContact CG2-CE2 3.6Å; I84-F86 HydrophobicContact CG2-CZ 3.55Å; F86-N90 HydrophobicContact CB-CB 4.1Å; F86-N90 HydrophobicContact CD1-CB 3.85Å; F86-N90 HydrophobicContact CG-CB 4.46Å; F86-V91 HydrophobicContact CB-CG2 4.43Å; F86-S216 WeakPolarHBondContact CZ-O 3.19Å; F86-L219 HydrophobicContact CB-CD2 4.2Å; F86-L219 HydrophobicContact CD1-CB 3.75Å; F86-L219 HydrophobicContact CD1-CD2 4.37Å; F86-L219 HydrophobicContact CD2-CB 4.34Å; F86-L219 HydrophobicContact CD2-CD1 4.35Å; F86-L219 HydrophobicContact CD2-CD2 4.34Å; F86-L219 HydrophobicContact CE1-CB 3.58Å; F86-L219 HydrophobicContact CE2-CB 4.17Å; F86-L219 HydrophobicContact CE2-CD1 4.26Å; F86-L219 HydrophobicContact CG-CB 4.13Å; F86-L219 HydrophobicContact CG-CD2 4.05Å; F86-L219 HydrophobicContact CZ-CB 3.79Å; F86-A272 HydrophobicContact CD1-CB 4.21Å; F86-A272 HydrophobicContact CE1-CB 3.8Å; F86-A272 HydrophobicContact CZ-CB 4.32Å
87T85.6Confident84Confident12 Ų1251.8 Ų51.87%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-77.9164.8174.8640000110.8K64 D66 L67 Y89 N90 V91K64-T87 HydrophobicContact CB-CG2 4.37Å; K64-T87 VanDerWaalsContact O-CG2 3.31Å; K64-T87 WeakPolarHBondContact O-CG2 3.4Å; D66-T87 WeakPolarHBondContact O-CA 3.2Å; L67-T87 HydrophobicContact CD2-CG2 4.48Å; T87-Y89 PolarHBondContact O-N 2.83Å; T87-Y89 PolarHBondContact OG1-N 3.37Å; T87-N90 PolarHBondContact N-OD1 2.95Å; T87-N90 PolarHBondContact O-N 2.87Å; T87-N90 PolarHBondContact OG1-N 2.83Å; T87-N90 PolarHBondContact OG1-OD1 3.11Å; T87-V91 WeakPolarHBondContact O-CG2 3.23Å; T87-V91 PolarHBondContact O-N 2.72Å; T87-V91 VanDerWaalsContact O-N 3.16Å
88H83.7Confident84.9Confident114 Ų11444.4 Ų44.453%0.52824%0.24SC..Hα-helixtrans-54.2-33.7170.1-82-87.3000112.7D66 A68 V91 T92D66-H88 PolarHBondContact O-N 3.12Å; A68-H88 HydrophobicContact CB-CB 4.37Å; H88-V91 PolarHBondContact O-N 3.14Å; H88-T92 WeakPolarHBondContact O-CB 3.42Å; H88-T92 WeakPolarHBondContact O-CG2 3.38Å; H88-T92 PolarHBondContact O-N 3.4Å; H88-T92 PolarHBondContact O-OG1 3.08Å
89Y83.6Confident85.4Confident79 Ų7942.2 Ų42.231%0.3123%0.231SC..Hα-helixtrans-62.4-48.4174.1174-106.9000112T87 V91 T92 A93 P269T87-Y89 PolarHBondContact O-N 2.83Å; T87-Y89 PolarHBondContact OG1-N 3.37Å; Y89-V91 VanDerWaalsContact C-N 3.29Å; Y89-V91 PolarHBondContact O-N 2.85Å; Y89-T92 PolarHBondContact O-N 3.33Å; Y89-T92 PolarHBondContact O-OG1 2.88Å; Y89-A93 VanDerWaalsContact O-CB 3.23Å; Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.08Å; Y89-P269 HydrophobicContact CE1-CB 3.58Å; Y89-P269 WeakPolarHBondContact OH-CB 3.26Å
90N89.6Confident85.8Confident15 Ų1542.1 Ų42.18%0.0822%0.224CC..Hα-helixtrans-58-44.4178.7-60.3119.1000111.5F86 T87 A94 P269 C271F86-N90 HydrophobicContact CB-CB 4.1Å; F86-N90 HydrophobicContact CD1-CB 3.85Å; F86-N90 HydrophobicContact CG-CB 4.46Å; T87-N90 PolarHBondContact N-OD1 2.95Å; T87-N90 PolarHBondContact O-N 2.87Å; T87-N90 PolarHBondContact OG1-N 2.83Å; T87-N90 PolarHBondContact OG1-OD1 3.11Å; N90-A94 WeakPolarHBondContact O-CB 3.37Å; N90-A94 PolarHBondContact O-N 3.14Å; N90-P269 WeakPolarHBondContact CA-O 3.49Å; N90-P269 PolarHBondContact ND2-O 2.91Å; N90-C271 PolarHBondContact ND2-O 2.75Å; N90-C271 VanDerWaalsContact ND2-O 3.08Å
91V88Confident85.7Confident16 Ų1636.9 Ų36.910%0.09720%0.2CC..Hα-helixtrans-65.5-48.7-179.2-179.70000111.8A68 L69 F86 T87 H88 Y89 A94 I95 L129 L219A68-V91 HydrophobicContact CB-CG2 3.7Å; L69-V91 HydrophobicContact CD2-CG2 3.53Å; L69-V91 HydrophobicContact CG-CG2 4.25Å; F86-V91 HydrophobicContact CB-CG2 4.43Å; T87-V91 WeakPolarHBondContact O-CG2 3.23Å; T87-V91 PolarHBondContact O-N 2.72Å; T87-V91 VanDerWaalsContact O-N 3.16Å; H88-V91 PolarHBondContact O-N 3.14Å; Y89-V91 VanDerWaalsContact C-N 3.29Å; Y89-V91 PolarHBondContact O-N 2.85Å; V91-A94 PolarHBondContact O-N 2.9Å; V91-I95 HydrophobicContact CG1-CD1 3.94Å; V91-I95 VanDerWaalsContact O-CG1 3.31Å; V91-I95 WeakPolarHBondContact O-CG1 3.41Å; V91-I95 PolarHBondContact O-N 3.38Å; V91-L129 HydrophobicContact CG1-CD1 3.93Å; V91-L219 HydrophobicContact CB-CD2 4.2Å; V91-L219 HydrophobicContact CG2-CD2 3.6Å
92T88.7Confident85.4Confident81 Ų8137 Ų3750%0.49720%0.201SC..Hα-helixtrans-67.5-43.1-177.949.10000111.9H88 Y89 A94 I95 Q96H88-T92 WeakPolarHBondContact O-CB 3.42Å; H88-T92 WeakPolarHBondContact O-CG2 3.38Å; H88-T92 PolarHBondContact O-N 3.4Å; H88-T92 PolarHBondContact O-OG1 3.08Å; Y89-T92 PolarHBondContact O-N 3.33Å; Y89-T92 PolarHBondContact O-OG1 2.88Å; T92-A94 VanDerWaalsContact C-N 3.34Å; T92-A94 PolarHBondContact O-N 3.28Å; T92-I95 PolarHBondContact O-N 3.4Å; T92-Q96 PolarHBondContact O-N 2.88Å; T92-Q96 VanDerWaalsContact O-N 3.15Å
93A90Very high85.1Confident12 Ų1237.2 Ų37.210%0.09920%0.201CC..Hα-helixtrans-59.1-45.717400000111.3Y89 I95 Q96 M97 P269Y89-A93 VanDerWaalsContact O-CB 3.23Å; Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.08Å; A93-I95 PolarHBondContact O-N 2.96Å; A93-Q96 PolarHBondContact O-N 3.31Å; A93-M97 HydrophobicContact CB-SD 4.28Å; A93-M97 WeakPolarHBondContact O-CB 3.46Å; A93-M97 WeakPolarHBondContact O-CG 3.17Å; A93-M97 PolarHBondContact O-N 3.27Å; A93-M97 VanDerWaalsContact O-SD 3.33Å; A93-P269 HydrophobicContact CB-CB 3.76Å; A93-P269 HydrophobicContact CB-CG 3.93Å
94A91.3Very high85.1Confident0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-60.6-44.5178.700000113.6N90 V91 T92 Q96 M97 L98 L126 L219 A270N90-A94 WeakPolarHBondContact O-CB 3.37Å; N90-A94 PolarHBondContact O-N 3.14Å; V91-A94 PolarHBondContact O-N 2.9Å; T92-A94 VanDerWaalsContact C-N 3.34Å; T92-A94 PolarHBondContact O-N 3.28Å; A94-Q96 VanDerWaalsContact C-N 3.3Å; A94-Q96 PolarHBondContact O-N 3.15Å; A94-M97 PolarHBondContact O-N 3.45Å; A94-L98 VanDerWaalsContact O-CB 3.25Å; A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 PolarHBondContact O-N 3.2Å; A94-L126 HydrophobicContact CB-CD1 3.63Å; A94-L219 WeakPolarHBondContact CB-O 3.22Å; A94-A270 HydrophobicContact CB-CB 3.95Å
95I89.1Confident84.6Confident30 Ų3040 Ų4015%0.15421%0.209CC..Hα-helixtrans-60.8-41.6177.7-69.1164.8000110.9V91 T92 A93 G99 L126 L129 H130 C133V91-I95 HydrophobicContact CG1-CD1 3.94Å; V91-I95 VanDerWaalsContact O-CG1 3.31Å; V91-I95 WeakPolarHBondContact O-CG1 3.41Å; V91-I95 PolarHBondContact O-N 3.38Å; T92-I95 PolarHBondContact O-N 3.4Å; A93-I95 PolarHBondContact O-N 2.96Å; I95-G99 PolarHBondContact O-N 3.34Å; I95-L126 HydrophobicContact CG1-CD1 4.24Å; I95-L129 HydrophobicContact CD1-CB 3.9Å; I95-L129 HydrophobicContact CD1-CD1 4.4Å; I95-L129 HydrophobicContact CG1-CB 4.1Å; I95-H130 PolarHBondContact O-ND1 3.16Å; I95-C133 HydrophobicContact CG2-CB 4Å
96Q87.8Confident83.9Confident122 Ų12248.3 Ų48.357%0.5724%0.244SC*.Hα-helixtrans-67.8-51.4178.8-178.2178.1-20.600111.5T92 A93 A94 L98 G99 D100T92-Q96 PolarHBondContact O-N 2.88Å; T92-Q96 VanDerWaalsContact O-N 3.15Å; A93-Q96 PolarHBondContact O-N 3.31Å; A94-Q96 VanDerWaalsContact C-N 3.3Å; A94-Q96 PolarHBondContact O-N 3.15Å; Q96-L98 PolarHBondContact O-N 3.04Å; Q96-G99 WeakPolarHBondContact O-CA 3.41Å; Q96-G99 PolarHBondContact O-N 3.16Å; Q96-D100 PolarHBondContact O-N 2.83Å
97M90Very high83.8Confident2 Ų250.5 Ų50.51%0.0125%0.252CS..Hα-helixtrans-56.7-36178.1-69.7157.167.700112.1A93 A94 D100 T101 P242 N243 F244 P269 A270A93-M97 HydrophobicContact CB-SD 4.28Å; A93-M97 WeakPolarHBondContact O-CB 3.46Å; A93-M97 WeakPolarHBondContact O-CG 3.17Å; A93-M97 PolarHBondContact O-N 3.27Å; A93-M97 VanDerWaalsContact O-SD 3.33Å; A94-M97 PolarHBondContact O-N 3.45Å; M97-D100 PolarHBondContact O-N 2.9Å; M97-T101 PolarHBondContact O-N 2.88Å; M97-T101 PolarHBondContact O-OG1 3Å; M97-P242 WeakPolarHBondContact CE-O 3.27Å; M97-N243 HydrophobicContact CE-CB 4.21Å; M97-N243 HydrophobicContact CG-CB 4.08Å; M97-N243 HydrophobicContact SD-CB 4.2Å; M97-F244 HydrophobicContact CE-CD2 3.36Å; M97-F244 HydrophobicContact CE-CE1 4.33Å; M97-F244 HydrophobicContact CE-CE2 3Å; M97-F244 HydrophobicContact CE-CG 4.21Å; M97-F244 HydrophobicContact CE-CZ 3.54Å; M97-P269 HydrophobicContact CE-CG 4.26Å; M97-P269 HydrophobicContact SD-CG 3.53Å; M97-P269 VanDerWaalsContact SD-CG 3.53Å; M97-A270 HydrophobicContact CE-CB 4.21Å; M97-A270 HydrophobicContact SD-CB 4.23Å
98L88.3Confident83.7Confident0 Ų053.3 Ų53.30%027%0.271CS..Hα-helixtrans-62.1-48.3174.6178.647.6000111.6A94 Q96 D100 T101 F104 L126 L127 H130 W221A94-L98 VanDerWaalsContact O-CB 3.25Å; A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 PolarHBondContact O-N 3.2Å; Q96-L98 PolarHBondContact O-N 3.04Å; L98-D100 PolarHBondContact O-N 3.33Å; L98-T101 WeakPolarHBondContact O-CB 3.44Å; L98-T101 PolarHBondContact O-N 3.27Å; L98-F104 HydrophobicContact CD1-CD2 3.25Å; L98-F104 HydrophobicContact CD1-CE2 3.43Å; L98-F104 VanDerWaalsContact CD1-CE2 3.43Å; L98-F104 HydrophobicContact CD1-CG 4.14Å; L98-F104 HydrophobicContact CD1-CZ 4.42Å; L98-F104 HydrophobicContact CG-CD2 4.11Å; L98-F104 HydrophobicContact CG-CE2 4.43Å; L98-L126 HydrophobicContact CD2-CD1 4.19Å; L98-L126 HydrophobicContact CD2-CD2 4.03Å; L98-L126 HydrophobicContact CD2-CG 3.72Å; L98-L127 HydrophobicContact CD2-CD2 4.27Å; L98-H130 HydrophobicContact CB-CB 4.49Å; L98-H130 HydrophobicContact CD2-CB 3.3Å; L98-H130 VanDerWaalsContact CD2-CG 3.44Å; L98-H130 HydrophobicContact CG-CB 3.91Å; L98-H130 VanDerWaalsContact CG-CG 3.48Å; L98-W221 HydrophobicContact CD1-CH2 3Å; L98-W221 HydrophobicContact CD1-CZ2 2.91Å; L98-W221 HydrophobicContact CD1-CZ3 3.96Å; L98-W221 HydrophobicContact CD2-CH2 3.87Å; L98-W221 HydrophobicContact CD2-CZ3 4.26Å; L98-W221 HydrophobicContact CG-CH2 4.11Å; L98-W221 HydrophobicContact CG-CZ2 4.3Å
99G85.3Confident83.7Confident22 Ų2252.3 Ų52.323%0.22727%0.274CS..Hα-helixtrans-63.5-28.5175.800000114.4I95 Q96 Q105 H130I95-G99 PolarHBondContact O-N 3.34Å; Q96-G99 WeakPolarHBondContact O-CA 3.41Å; Q96-G99 PolarHBondContact O-N 3.16Å; G99-Q105 WeakPolarHBondContact O-CA 3.25Å; G99-Q105 PolarHBondContact O-N 3.25Å; G99-H130 VanDerWaalsContact CA-CE1 3.44Å; G99-H130 WeakPolarHBondContact CA-CE1 3.5Å
100D83.6Confident83.8Confident74 Ų7450.2 Ų50.240%0.39628%0.276SS..Hα-helixtrans-83.8-13.5178.2-68.4-25.1000113.3Q96 M97 L98 L102 P242Q96-D100 PolarHBondContact O-N 2.83Å; M97-D100 PolarHBondContact O-N 2.9Å; L98-D100 PolarHBondContact O-N 3.33Å; D100-L102 PolarHBondContact O-N 3.49Å; D100-P242 HydrophobicContact CB-CG 4.39Å
101T79.4Confident83.8Confident8 Ų850.7 Ų50.75%0.04928%0.278CS..SBendtrans-65.7133.2173.5-580000108.9M97 L98 V103 F104 Q105 V224M97-T101 PolarHBondContact O-N 2.88Å; M97-T101 PolarHBondContact O-OG1 3Å; L98-T101 WeakPolarHBondContact O-CB 3.44Å; L98-T101 PolarHBondContact O-N 3.27Å; T101-V103 HydrophobicContact CG2-CB 4.08Å; T101-V103 HydrophobicContact CG2-CG2 3.98Å; T101-V103 PolarHBondContact O-N 2.98Å; T101-F104 PolarHBondContact O-N 3.4Å; T101-Q105 PolarHBondContact O-N 3.2Å; T101-V224 HydrophobicContact CG2-CG2 4.15Å
102L73Confident83.9Confident133 Ų13352.1 Ų52.170%0.69629%0.285SS*.THydrogen-bonded Turntrans-45.5-31.4-178-71.2171.9000114D100D100-L102 PolarHBondContact O-N 3.49Å
103V72.7Confident84Confident16 Ų1648.2 Ų48.210%0.09726%0.261CS..THydrogen-bonded Turntrans-60.5-52.5176.5178.10000111.8T101 M186 I210 V224T101-V103 HydrophobicContact CG2-CB 4.08Å; T101-V103 HydrophobicContact CG2-CG2 3.98Å; T101-V103 PolarHBondContact O-N 2.98Å; V103-M186 HydrophobicContact CB-CE 4.24Å; V103-M186 HydrophobicContact CG1-CE 3.49Å; V103-M186 VanDerWaalsContact CG1-CE 3.49Å; V103-M186 HydrophobicContact CG1-CG 4.24Å; V103-M186 HydrophobicContact CG1-SD 3.33Å; V103-M186 WeakPolarHBondContact CG1-SD 3.42Å; V103-M186 WeakPolarHBondContact O-CE 3.32Å; V103-I210 HydrophobicContact CB-CD1 4.34Å; V103-I210 HydrophobicContact CB-CG1 4.36Å; V103-I210 HydrophobicContact CG1-CD1 3.73Å; V103-I210 HydrophobicContact CG1-CG1 3.72Å; V103-I210 HydrophobicContact CG2-CB 4.2Å; V103-I210 HydrophobicContact CG2-CD1 3.76Å; V103-I210 HydrophobicContact CG2-CG1 3.65Å; V103-I210 HydrophobicContact CG2-CG2 3.96Å; V103-V224 HydrophobicContact CG2-CG1 4.24Å
104F79.6Confident84Confident5 Ų547.7 Ų47.72%0.02226%0.257CS..THydrogen-bonded Turntrans-94.4-10.7-177.6-66-78.7000113.1L98 T101 K106 R107 F113 L127 H130 I160 M186 C188 W221L98-F104 HydrophobicContact CD1-CD2 3.25Å; L98-F104 HydrophobicContact CD1-CE2 3.43Å; L98-F104 VanDerWaalsContact CD1-CE2 3.43Å; L98-F104 HydrophobicContact CD1-CG 4.14Å; L98-F104 HydrophobicContact CD1-CZ 4.42Å; L98-F104 HydrophobicContact CG-CD2 4.11Å; L98-F104 HydrophobicContact CG-CE2 4.43Å; T101-F104 PolarHBondContact O-N 3.4Å; F104-K106 PolarHBondContact O-N 3.49Å; F104-R107 PolarHBondContact O-N 3.4Å; F104-F113 AromaticContact CE1-CE2 3.85Å; F104-F113 HydrophobicContact CE1-CE2 3.85Å; F104-F113 HydrophobicContact CZ-CE2 4.45Å; F104-L127 HydrophobicContact CZ-CD2 4.14Å; F104-H130 AromaticContact CD1-NE2 3.66Å; F104-H130 AromaticContact CG-NE2 3.67Å; F104-I160 HydrophobicContact CE1-CG2 4.28Å; F104-M186 HydrophobicContact CD1-SD 4.36Å; F104-M186 HydrophobicContact CE1-SD 4.08Å; F104-M186 HydrophobicContact CZ-SD 4.41Å; F104-C188 HydrophobicContact CZ-CB 4.43Å; F104-W221 HydrophobicContact CD2-CZ2 4.26Å; F104-W221 AromaticContact CE2-CH2 3.82Å; F104-W221 HydrophobicContact CE2-CH2 3.82Å; F104-W221 AromaticContact CE2-CZ2 3.72Å; F104-W221 HydrophobicContact CE2-CZ2 3.72Å
105Q74.1Confident83.9Confident84 Ų8447.9 Ų47.939%0.39326%0.258SS..THydrogen-bonded Turntrans-57.7127.5-179.3-148.7-169.813.700110.8G99 T101 R107G99-Q105 WeakPolarHBondContact O-CA 3.25Å; G99-Q105 PolarHBondContact O-N 3.25Å; T101-Q105 PolarHBondContact O-N 3.2Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 2.97Å
106K71.9Confident83.8Confident190 Ų19047.2 Ų47.283%0.82626%0.255SS*.THydrogen-bonded Turntrans6615.7174.7-52.4172.9-179.31700116F104F104-K106 PolarHBondContact O-N 3.49Å
107R84Confident83.7Confident45 Ų4542 Ų4217%0.1723%0.231CC..PPolyproline II helixtrans-70.2137.9172.3-62.7-163.371.191.97.7110.7F104 Q105 E111 T185F104-R107 PolarHBondContact O-N 3.4Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 2.97Å; R107-E111 IonicContact CZ-OE1 3.62Å; R107-E111 IonicContact CZ-OE2 3.2Å; R107-E111 IonicContact NE-OE1 3.78Å; R107-E111 IonicContact NE-OE2 2.69Å; R107-E111 PolarHBondContact NE-OE2 3.18Å; R107-E111 IonicContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact NH2-OE1 2.96Å; R107-E111 IonicContact NH2-OE2 2.85Å; R107-E111 PolarHBondContact NH2-OE2 3.14Å; R107-T185 PolarHBondContact NH2-OG1 2.92Å
108P83.3Confident83.2Confident71 Ų7143.3 Ų43.346%0.46124%0.24SC..PPolyproline II helixtrans-71.3149.7-175.927.6-32.5000111.5E111 Y136P108-E111 HydrophobicContact CG-CG 3.96Å; P108-E111 WeakPolarHBondContact O-CG 3.22Å; P108-Y136 WeakPolarHBondContact O-CE1 3.26Å
109P85Confident83Confident94 Ų9446.7 Ų46.761%0.6126%0.257SS*.THydrogen-bonded Turntrans-62.5155.5170.428.6-35.1000110.9H135P109-H135 HydrophobicContact CB-CB 4.05Å
110G85.6Confident82.4Confident34 Ų3453.5 Ų53.535%0.35128%0.276SS..THydrogen-bonded Turntrans843.3177.600000115.4H135 H137G110-H135 WeakPolarHBondContact CA-O 3.4Å; G110-H135 PolarHBondContact N-O 2.79Å; G110-H137 PolarHBondContact O-CD2 3.4Å
111E89.5Confident82.2Confident25 Ų2550.9 Ų50.912%0.11726%0.263CS..  trans-63.3146172.6-73.7-165.4144.200112.5R107 P108 F113 Y136 H137 N159 I160R107-E111 IonicContact CZ-OE1 3.62Å; R107-E111 IonicContact CZ-OE2 3.2Å; R107-E111 IonicContact NE-OE1 3.78Å; R107-E111 IonicContact NE-OE2 2.69Å; R107-E111 PolarHBondContact NE-OE2 3.18Å; R107-E111 IonicContact NH2-OE1 2.73Å; R107-E111 PolarHBondContact NH2-OE1 2.96Å; R107-E111 IonicContact NH2-OE2 2.85Å; R107-E111 PolarHBondContact NH2-OE2 3.14Å; P108-E111 HydrophobicContact CG-CG 3.96Å; P108-E111 WeakPolarHBondContact O-CG 3.22Å; E111-F113 PolarHBondContact O-N 2.88Å; E111-Y136 HydrophobicContact CB-CD1 4.18Å; E111-Y136 WeakPolarHBondContact O-CB 3.46Å; E111-H137 PolarHBondContact O-N 2.85Å; E111-N159 HydrophobicContact CB-CB 4.09Å; E111-N159 HydrophobicContact CG-CB 4.26Å; E111-I160 HydrophobicContact CB-CD1 4.38Å; E111-I160 VanDerWaalsContact OE2-CD1 3.27Å; E111-I160 WeakPolarHBondContact OE2-CD1 3.37Å
112L89.7Confident82.3Confident46 Ų4650.8 Ų50.824%0.24126%0.263CS..EExtended strand (participates in β ladder)trans-84.1108.5177-72.9165.7000109.8H137 I139 Y156 I158 N159 I160L112-H137 HydrophobicContact CD2-CB 3.53Å; L112-H137 HydrophobicContact CG-CB 4.42Å; L112-I139 HydrophobicContact CD2-CD1 4.28Å; L112-Y156 WeakPolarHBondContact CD1-O 3.42Å; L112-I158 HydrophobicContact CB-CD1 4.49Å; L112-N159 PolarHBondContact N-OD1 3.5Å; L112-N159 PolarHBondContact O-N 2.81Å; L112-I160 PolarHBondContact O-N 3.29Å; L112-I160 VanDerWaalsContact O-N 3.11Å
113F90.1Very high82.9Confident0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-102.8108.8-174.8-169.9-69.2000109.7F104 E111 L115 L127 A131 Y136 H137 I138 I139 I160 T162F104-F113 AromaticContact CE1-CE2 3.85Å; F104-F113 HydrophobicContact CE1-CE2 3.85Å; F104-F113 HydrophobicContact CZ-CE2 4.45Å; E111-F113 PolarHBondContact O-N 2.88Å; F113-L115 HydrophobicContact CD1-CB 4.14Å; F113-L115 HydrophobicContact CE1-CB 3.94Å; F113-L115 HydrophobicContact CE1-CD1 4.19Å; F113-L127 HydrophobicContact CE1-CB 4.4Å; F113-L127 HydrophobicContact CZ-CB 4.08Å; F113-L127 HydrophobicContact CZ-CD2 4.12Å; F113-A131 HydrophobicContact CD1-CB 4.37Å; F113-A131 HydrophobicContact CD2-CB 4.01Å; F113-A131 HydrophobicContact CE2-CB 4.21Å; F113-A131 HydrophobicContact CG-CB 4.09Å; F113-A131 HydrophobicContact CZ-CB 4.5Å; F113-Y136 HydrophobicContact CB-CD2 4.44Å; F113-Y136 AromaticContact CD2-CD2 3.62Å; F113-Y136 HydrophobicContact CD2-CD2 3.62Å; F113-Y136 HydrophobicContact CD2-CE2 4.18Å; F113-Y136 HydrophobicContact CE2-CD2 4.29Å; F113-Y136 HydrophobicContact CG-CD2 4.4Å; F113-H137 PolarHBondContact N-O 3.27Å; F113-I138 CarbonylContact O-C 3.01Å; F113-I138 WeakPolarHBondContact O-CA 3.36Å; F113-I139 PolarHBondContact O-N 3.49Å; F113-I160 HydrophobicContact CD2-CB 3.86Å; F113-I160 HydrophobicContact CD2-CD1 3.66Å; F113-I160 HydrophobicContact CD2-CG1 4.39Å; F113-I160 HydrophobicContact CD2-CG2 3.69Å; F113-I160 HydrophobicContact CE2-CB 4.38Å; F113-I160 HydrophobicContact CE2-CD1 4.27Å; F113-I160 HydrophobicContact CE2-CG2 3.7Å; F113-I160 HydrophobicContact CG-CB 4.3Å; F113-I160 HydrophobicContact CG-CG2 4.35Å; F113-I160 HydrophobicContact CZ-CG2 4.32Å; F113-T162 HydrophobicContact CE1-CG2 3.7Å; F113-T162 WeakPolarHBondContact CE1-OG1 3.32Å; F113-T162 HydrophobicContact CE2-CG2 4.13Å; F113-T162 HydrophobicContact CZ-CG2 3.39Å
114L90.8Very high83.6Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-90.4112.7174.318052.9000110I139 L149 L153 I158 I160 L161 T162L114-I139 HydrophobicContact CD1-CB 4.01Å; L114-I139 HydrophobicContact CD1-CG2 3.84Å; L114-I139 WeakPolarHBondContact CD1-O 3.2Å; L114-L149 HydrophobicContact CD2-CD1 3.37Å; L114-L153 HydrophobicContact CD2-CD2 4.08Å; L114-I158 HydrophobicContact CB-CD1 4.05Å; L114-I158 HydrophobicContact CB-CG1 4.14Å; L114-I158 HydrophobicContact CB-CG2 3.56Å; L114-I158 HydrophobicContact CD2-CD1 4.39Å; L114-I158 HydrophobicContact CD2-CG1 4.02Å; L114-I160 PolarHBondContact N-O 2.58Å; L114-L161 HydrophobicContact CB-CD1 4.36Å; L114-L161 HydrophobicContact CD2-CD1 3.95Å; L114-L161 HydrophobicContact CG-CD1 4.12Å; L114-T162 PolarHBondContact O-N 3.15Å; L114-T162 PolarHBondContact O-OG1 2.8Å
115L89.4Confident83.9Confident4 Ų446.3 Ų46.32%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-99.8111.4177.4-179.662.4000110.7F113 F117 L119 G124 L127 A128 I138 I139 L140 T162F113-L115 HydrophobicContact CD1-CB 4.14Å; F113-L115 HydrophobicContact CE1-CB 3.94Å; F113-L115 HydrophobicContact CE1-CD1 4.19Å; L115-F117 HydrophobicContact CD1-CB 3.9Å; L115-F117 HydrophobicContact CD1-CD2 4.17Å; L115-L119 HydrophobicContact CD2-CD2 3.55Å; L115-G124 WeakPolarHBondContact CD2-O 3.48Å; L115-L127 HydrophobicContact CD1-CB 3.76Å; L115-L127 HydrophobicContact CD1-CD1 3.78Å; L115-L127 HydrophobicContact CD1-CG 4.45Å; L115-A128 HydrophobicContact CD2-CB 3.73Å; L115-I138 HydrophobicContact CB-CG2 4.29Å; L115-I139 PolarHBondContact N-O 3.28Å; L115-I139 VanDerWaalsContact N-O 3.14Å; L115-L140 HydrophobicContact CB-CD2 4.04Å; L115-L140 HydrophobicContact CD2-CD2 3.72Å; L115-L140 HydrophobicContact CG-CD2 4.26Å; L115-T162 WeakPolarHBondContact CA-OG1 2.99Å; L115-T162 VanDerWaalsContact CD1-OG1 3.22Å; L115-T162 WeakPolarHBondContact CD1-OG1 3.41Å
116C87.8Confident84.7Confident16 Ų1642.4 Ų42.411%0.10822%0.221CC..  trans-105.4-4.6177-510000113.2T162 A163 M167C116-T162 WeakPolarHBondContact CA-O 3.33Å; C116-T162 WeakPolarHBondContact CB-O 3.49Å; C116-T162 PolarHBondContact N-O 3.03Å; C116-T162 PolarHBondContact SG-O 2.88Å; C116-A163 HydrophobicContact CB-CB 3.88Å; C116-M167 HydrophobicContact CB-CE 3.36Å; C116-M167 HydrophobicContact CB-SD 3.74Å; C116-M167 WeakPolarHBondContact SG-CE 3.46Å
117F85Confident85.6Confident14 Ų1433.3 Ų33.36%0.06118%0.181CC..SBendtrans-75139.4169-69.2-76.6000110.9L115 L119 L123 L127 A163 P164 S190L115-F117 HydrophobicContact CD1-CB 3.9Å; L115-F117 HydrophobicContact CD1-CD2 4.17Å; F117-L119 PolarHBondContact O-N 2.94Å; F117-L123 HydrophobicContact CD1-CD2 3.98Å; F117-L123 HydrophobicContact CD2-CD2 4.43Å; F117-L123 HydrophobicContact CE1-CD2 3.71Å; F117-L123 HydrophobicContact CE2-CD2 4.15Å; F117-L123 HydrophobicContact CG-CD2 4.33Å; F117-L123 HydrophobicContact CZ-CD2 3.78Å; F117-L127 HydrophobicContact CD2-CD1 3.47Å; F117-L127 VanDerWaalsContact CD2-CD1 3.47Å; F117-L127 HydrophobicContact CE2-CD1 3.94Å; F117-L127 HydrophobicContact CG-CD1 4.31Å; F117-A163 VanDerWaalsContact CE2-N 3.25Å; F117-A163 VanDerWaalsContact CZ-O 3.27Å; F117-A163 WeakPolarHBondContact CZ-O 3.28Å; F117-P164 HydrophobicContact CD1-CG 3.74Å; F117-P164 HydrophobicContact CE1-CB 4.08Å; F117-P164 HydrophobicContact CE1-CG 3.63Å; F117-P164 HydrophobicContact CZ-CG 4.46Å; F117-S190 WeakPolarHBondContact CE1-OG 3.15Å; F117-S190 WeakPolarHBondContact CZ-OG 3.11Å
118P79.7Confident85.8Confident29 Ų2931.7 Ų31.719%0.18818%0.178CC..  trans-65.9135.3176.3-16.228.5000112W120 T121 F319P118-W120 HydrophobicContact CB-CD2 3.71Å; P118-W120 HydrophobicContact CB-CE3 4.27Å; P118-W120 HydrophobicContact CB-CG 4.18Å; P118-W120 HydrophobicContact CB-CH2 4.1Å; P118-W120 HydrophobicContact CB-CZ2 3.5Å; P118-W120 HydrophobicContact CB-CZ3 4.44Å; P118-W120 HydrophobicContact CG-CZ2 4.1Å; P118-W120 PolarHBondContact O-N 3.38Å; P118-W120 VanDerWaalsContact O-N 3.16Å; P118-T121 HydrophobicContact CB-CG2 4.22Å; P118-T121 HydrophobicContact CG-CG2 4.31Å; P118-T121 PolarHBondContact O-N 3.43Å; P118-T121 PolarHBondContact O-OG1 3.26Å; P118-F319 HydrophobicContact CG-CE1 4.41Å
119L82.5Confident86.1Confident70 Ų7030.6 Ų30.637%0.36617%0.168SC..THydrogen-bonded Turntrans-66.1-14.9-178.1-70.4178.8000114.5L115 F117 T121 L125 A128 L140L115-L119 HydrophobicContact CD2-CD2 3.55Å; F117-L119 PolarHBondContact O-N 2.94Å; L119-T121 VanDerWaalsContact C-N 3.29Å; L119-L125 WeakPolarHBondContact O-CB 3.36Å; L119-A128 HydrophobicContact CD2-CB 3.45Å; L119-A128 VanDerWaalsContact CD2-CB 3.45Å; L119-L140 HydrophobicContact CD1-CD1 3.91Å; L119-L140 HydrophobicContact CD1-CD2 4.14Å; L119-L140 HydrophobicContact CD2-CD2 4.23Å; L119-L140 HydrophobicContact CG-CD2 4.35Å
120W74.7Confident86.4Confident165 Ų16526.4 Ų26.463%0.62514%0.14SC*.THydrogen-bonded Turntrans-82-8.1174.253.577.3000113.2P118P118-W120 HydrophobicContact CB-CD2 3.71Å; P118-W120 HydrophobicContact CB-CE3 4.27Å; P118-W120 HydrophobicContact CB-CG 4.18Å; P118-W120 HydrophobicContact CB-CH2 4.1Å; P118-W120 HydrophobicContact CB-CZ2 3.5Å; P118-W120 HydrophobicContact CB-CZ3 4.44Å; P118-W120 HydrophobicContact CG-CZ2 4.1Å; P118-W120 PolarHBondContact O-N 3.38Å; P118-W120 VanDerWaalsContact O-N 3.16Å
121T77.7Confident86.5Confident19 Ų1924.8 Ų24.812%0.11712%0.123CC..SBendtrans-87.1148.7172.367.50000110.3P118 L119 L123 G124 L125 F319P118-T121 HydrophobicContact CB-CG2 4.22Å; P118-T121 HydrophobicContact CG-CG2 4.31Å; P118-T121 PolarHBondContact O-N 3.43Å; P118-T121 PolarHBondContact O-OG1 3.26Å; L119-T121 VanDerWaalsContact C-N 3.29Å; T121-L123 VanDerWaalsContact C-N 3.27Å; T121-L123 PolarHBondContact O-N 3.47Å; T121-G124 PolarHBondContact O-N 3.48Å; T121-G124 PolarHBondContact OG1-N 3.16Å; T121-L125 WeakPolarHBondContact O-CB 3.41Å; T121-L125 PolarHBondContact O-N 2.89Å; T121-F319 HydrophobicContact CG2-CE1 4.07Å; T121-F319 HydrophobicContact CG2-CZ 4.26Å
122A82.2Confident86.4Confident6 Ų626.9 Ų26.95%0.0514%0.135CC..Hα-helixtrans-52.8-46.1176.100000111.8V71 L126 L219V71-A122 HydrophobicContact CG1-CB 4.46Å; V71-A122 HydrophobicContact CG2-CB 4.3Å; A122-L126 VanDerWaalsContact O-CB 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 3.39Å; A122-L219 HydrophobicContact CB-CD1 3.76Å; A122-L219 WeakPolarHBondContact O-CD1 2.95Å
123L86.5Confident86.3Confident13 Ų1328.2 Ų28.27%0.06815%0.147CC..Hα-helixtrans-65.1-48.9179.4-177.564.3000112.8F117 T121 L125 L126 L127 S190 V212 W221F117-L123 HydrophobicContact CD1-CD2 3.98Å; F117-L123 HydrophobicContact CD2-CD2 4.43Å; F117-L123 HydrophobicContact CE1-CD2 3.71Å; F117-L123 HydrophobicContact CE2-CD2 4.15Å; F117-L123 HydrophobicContact CG-CD2 4.33Å; F117-L123 HydrophobicContact CZ-CD2 3.78Å; T121-L123 VanDerWaalsContact C-N 3.27Å; T121-L123 PolarHBondContact O-N 3.47Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 2.97Å; L123-L126 PolarHBondContact O-N 3.3Å; L123-L127 HydrophobicContact CD1-CD1 4.28Å; L123-L127 HydrophobicContact CD1-CG 4.39Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.22Å; L123-L127 PolarHBondContact O-N 3.36Å; L123-S190 VanDerWaalsContact CD2-CB 3.4Å; L123-S190 WeakPolarHBondContact CD2-OG 3.38Å; L123-V212 HydrophobicContact CD1-CG2 4.42Å; L123-V212 HydrophobicContact CD2-CG2 4.46Å; L123-W221 HydrophobicContact CD1-CE3 3.31Å; L123-W221 HydrophobicContact CD1-CZ3 3.3Å
124G86.5Confident86.1Confident0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-63.1-41.1-179.900000112.4L115 T121 A128L115-G124 WeakPolarHBondContact CD2-O 3.48Å; T121-G124 PolarHBondContact O-N 3.48Å; T121-G124 PolarHBondContact OG1-N 3.16Å; G124-A128 PolarHBondContact O-N 3.47Å; G124-A128 VanDerWaalsContact O-N 3.12Å
125L86.2Confident86Confident47 Ų4735.2 Ų35.225%0.24618%0.183CC..Hα-helixtrans-64.6-45.5176.2-172.656.2000112L69 L119 T121 L123 A128 L129L69-L125 HydrophobicContact CD1-CD2 4.02Å; L69-L125 HydrophobicContact CD2-CD2 3.79Å; L69-L125 HydrophobicContact CG-CD2 4.45Å; L119-L125 WeakPolarHBondContact O-CB 3.36Å; T121-L125 WeakPolarHBondContact O-CB 3.41Å; T121-L125 PolarHBondContact O-N 2.89Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 2.97Å; L125-A128 PolarHBondContact O-N 2.94Å; L125-L129 HydrophobicContact CD1-CD1 4.4Å; L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.09Å; L125-L129 WeakPolarHBondContact O-CG 3.23Å; L125-L129 PolarHBondContact O-N 2.98Å
126L90.1Very high86Confident2 Ų235.8 Ų35.81%0.0119%0.185CC..Hα-helixtrans-58.1-49.7176.817466000111.9A94 I95 L98 A122 L123 A128 L129 H130 L219 W221A94-L126 HydrophobicContact CB-CD1 3.63Å; I95-L126 HydrophobicContact CG1-CD1 4.24Å; L98-L126 HydrophobicContact CD2-CD1 4.19Å; L98-L126 HydrophobicContact CD2-CD2 4.03Å; L98-L126 HydrophobicContact CD2-CG 3.72Å; A122-L126 VanDerWaalsContact O-CB 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.49Å; A122-L126 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.3Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.27Å; L126-L129 PolarHBondContact O-N 2.96Å; L126-H130 WeakPolarHBondContact O-CB 3.41Å; L126-H130 PolarHBondContact O-N 3.31Å; L126-L219 WeakPolarHBondContact CD2-O 3.35Å; L126-W221 HydrophobicContact CD2-CE3 4.14Å; L126-W221 HydrophobicContact CD2-CZ3 3.97Å
127L90.9Very high86.1Confident0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-58.8-41.1179.8-72.6169.7000111.2L98 F104 F113 L115 F117 L123 A131 T162 W221L98-L127 HydrophobicContact CD2-CD2 4.27Å; F104-L127 HydrophobicContact CZ-CD2 4.14Å; F113-L127 HydrophobicContact CE1-CB 4.4Å; F113-L127 HydrophobicContact CZ-CB 4.08Å; F113-L127 HydrophobicContact CZ-CD2 4.12Å; L115-L127 HydrophobicContact CD1-CB 3.76Å; L115-L127 HydrophobicContact CD1-CD1 3.78Å; L115-L127 HydrophobicContact CD1-CG 4.45Å; F117-L127 HydrophobicContact CD2-CD1 3.47Å; F117-L127 VanDerWaalsContact CD2-CD1 3.47Å; F117-L127 HydrophobicContact CE2-CD1 3.94Å; F117-L127 HydrophobicContact CG-CD1 4.31Å; L123-L127 HydrophobicContact CD1-CD1 4.28Å; L123-L127 HydrophobicContact CD1-CG 4.39Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.22Å; L123-L127 PolarHBondContact O-N 3.36Å; L127-A131 VanDerWaalsContact O-CB 3.22Å; L127-A131 WeakPolarHBondContact O-CB 3.03Å; L127-A131 PolarHBondContact O-N 3Å; L127-T162 HydrophobicContact CD1-CG2 4.3Å; L127-T162 HydrophobicContact CD2-CG2 4.36Å; L127-W221 HydrophobicContact CD2-CH2 3.58Å; L127-W221 HydrophobicContact CD2-CZ3 3.8Å; L127-W221 HydrophobicContact CG-CZ3 4.28Å
128A89.7Confident86.3Confident11 Ų1142.1 Ų42.19%0.09121%0.214CC..Hα-helixtrans-64.9-47.117600000112.4L115 L119 G124 L125 L126 A131 L132 I138L115-A128 HydrophobicContact CD2-CB 3.73Å; L119-A128 HydrophobicContact CD2-CB 3.45Å; L119-A128 VanDerWaalsContact CD2-CB 3.45Å; G124-A128 PolarHBondContact O-N 3.47Å; G124-A128 VanDerWaalsContact O-N 3.12Å; L125-A128 PolarHBondContact O-N 2.94Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.27Å; A128-A131 PolarHBondContact O-N 3.2Å; A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 3.32Å; A128-I138 WeakPolarHBondContact O-CD1 3.48Å
129L89.2Confident86.7Confident48 Ų4842.2 Ų42.225%0.25121%0.212SC..Hα-helixtrans-62.3-45178.8-71.2173000111.6V91 I95 L125 L126 A131 L132 C133V91-L129 HydrophobicContact CG1-CD1 3.93Å; I95-L129 HydrophobicContact CD1-CB 3.9Å; I95-L129 HydrophobicContact CD1-CD1 4.4Å; I95-L129 HydrophobicContact CG1-CB 4.1Å; L125-L129 HydrophobicContact CD1-CD1 4.4Å; L125-L129 HydrophobicContact CD1-CG 4.39Å; L125-L129 HydrophobicContact CG-CD1 4.09Å; L125-L129 WeakPolarHBondContact O-CG 3.23Å; L125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 2.96Å; L129-A131 VanDerWaalsContact C-N 3.34Å; L129-A131 PolarHBondContact O-N 3.44Å; L129-L132 PolarHBondContact O-N 3.5Å; L129-C133 PolarHBondContact O-N 3.38Å; L129-C133 PolarHBondContact O-SG 3.44Å; L129-C133 VanDerWaalsContact O-SG 3.38Å
130H89.9Confident86.7Confident5 Ų543.3 Ų43.32%0.02322%0.218CC..Hα-helixtrans-62.3-42.1175.9171.775000112.2I95 L98 G99 F104 L126 L132 C133 S134 Y136I95-H130 PolarHBondContact O-ND1 3.16Å; L98-H130 HydrophobicContact CB-CB 4.49Å; L98-H130 HydrophobicContact CD2-CB 3.3Å; L98-H130 VanDerWaalsContact CD2-CG 3.44Å; L98-H130 HydrophobicContact CG-CB 3.91Å; L98-H130 VanDerWaalsContact CG-CG 3.48Å; G99-H130 VanDerWaalsContact CA-CE1 3.44Å; G99-H130 WeakPolarHBondContact CA-CE1 3.5Å; F104-H130 AromaticContact CD1-NE2 3.66Å; F104-H130 AromaticContact CG-NE2 3.67Å; L126-H130 WeakPolarHBondContact O-CB 3.41Å; L126-H130 PolarHBondContact O-N 3.31Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 2.91Å; H130-C133 PolarHBondContact O-N 3.23Å; H130-S134 PolarHBondContact CE1-OG 2.9Å; H130-S134 PolarHBondContact NE2-OG 3.12Å; H130-S134 VanDerWaalsContact O-CB 3.29Å; H130-S134 WeakPolarHBondContact O-CB 3.34Å; H130-S134 PolarHBondContact O-N 3.1Å; H130-S134 PolarHBondContact O-OG 3.21Å; H130-Y136 AromaticContact NE2-CE2 3.97Å
131A88.8Confident86.5Confident0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-64.1-36177.300000112.4F113 L127 A128 L129 S134 H135 Y136 I138F113-A131 HydrophobicContact CD1-CB 4.37Å; F113-A131 HydrophobicContact CD2-CB 4.01Å; F113-A131 HydrophobicContact CE2-CB 4.21Å; F113-A131 HydrophobicContact CG-CB 4.09Å; F113-A131 HydrophobicContact CZ-CB 4.5Å; L127-A131 VanDerWaalsContact O-CB 3.22Å; L127-A131 WeakPolarHBondContact O-CB 3.03Å; L127-A131 PolarHBondContact O-N 3Å; A128-A131 PolarHBondContact O-N 3.2Å; L129-A131 VanDerWaalsContact C-N 3.34Å; L129-A131 PolarHBondContact O-N 3.44Å; A131-S134 PolarHBondContact O-N 2.9Å; A131-H135 PolarHBondContact O-N 3.31Å; A131-Y136 HydrophobicContact CB-CD2 3.71Å; A131-Y136 HydrophobicContact CB-CG 4.4Å; A131-Y136 PolarHBondContact O-N 2.97Å; A131-I138 HydrophobicContact CB-CD1 3.53Å; A131-I138 HydrophobicContact CB-CG1 3.57Å
132L87.2Confident85.9Confident70 Ų7041.5 Ų41.537%0.36622%0.216SC..Hα-helixtrans-65-49.3171.9-70.7173.5000111.5A128 L129 H130 S134 H135 I138 M335A128-L132 WeakPolarHBondContact O-CG 3.44Å; A128-L132 PolarHBondContact O-N 3.32Å; L129-L132 PolarHBondContact O-N 3.5Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 2.91Å; L132-S134 PolarHBondContact O-N 2.83Å; L132-H135 PolarHBondContact O-N 2.74Å; L132-H135 VanDerWaalsContact O-N 3.12Å; L132-I138 HydrophobicContact CD2-CD1 3.81Å; L132-I138 HydrophobicContact CG-CD1 3.71Å; L132-M335 HydrophobicContact CD1-SD 4.47Å
133C87.8Confident84.9Confident73 Ų7345 Ų4549%0.49323%0.228SC..Hα-helixtrans-62.5-28178.6-69.80000113.1I95 L129 H130I95-C133 HydrophobicContact CG2-CB 4Å; L129-C133 PolarHBondContact O-N 3.38Å; L129-C133 PolarHBondContact O-SG 3.44Å; L129-C133 VanDerWaalsContact O-SG 3.38Å; H130-C133 PolarHBondContact O-N 3.23Å
134S86.4Confident83.8Confident30 Ų3046 Ų4621%0.2123%0.232CC..THydrogen-bonded Turntrans-90.82.8179-53.10000113.6H130 A131 L132 Y136H130-S134 PolarHBondContact CE1-OG 2.9Å; H130-S134 PolarHBondContact NE2-OG 3.12Å; H130-S134 VanDerWaalsContact O-CB 3.29Å; H130-S134 WeakPolarHBondContact O-CB 3.34Å; H130-S134 PolarHBondContact O-N 3.1Å; H130-S134 PolarHBondContact O-OG 3.21Å; A131-S134 PolarHBondContact O-N 2.9Å; L132-S134 PolarHBondContact O-N 2.83Å; S134-Y136 VanDerWaalsContact C-N 3.32Å; S134-Y136 PolarHBondContact O-N 3.19Å
135H88.1Confident82.8Confident117 Ų11751.7 Ų51.754%0.54226%0.258SS..THydrogen-bonded Turntrans58.537.5-177.5-47.5104.1000114P109 G110 A131 L132P109-H135 HydrophobicContact CB-CB 4.05Å; G110-H135 WeakPolarHBondContact CA-O 3.4Å; G110-H135 PolarHBondContact N-O 2.79Å; A131-H135 PolarHBondContact O-N 3.31Å; L132-H135 PolarHBondContact O-N 2.74Å; L132-H135 VanDerWaalsContact O-N 3.12Å
136Y89.8Confident81.7Confident17 Ų1751 Ų517%0.06726%0.256CS..  trans-80.8157.1171.1-56.8-28.3000111.4P108 E111 F113 H130 A131 S134 I138 I160P108-Y136 WeakPolarHBondContact O-CE1 3.26Å; E111-Y136 HydrophobicContact CB-CD1 4.18Å; E111-Y136 WeakPolarHBondContact O-CB 3.46Å; F113-Y136 HydrophobicContact CB-CD2 4.44Å; F113-Y136 AromaticContact CD2-CD2 3.62Å; F113-Y136 HydrophobicContact CD2-CD2 3.62Å; F113-Y136 HydrophobicContact CD2-CE2 4.18Å; F113-Y136 HydrophobicContact CE2-CD2 4.29Å; F113-Y136 HydrophobicContact CG-CD2 4.4Å; H130-Y136 AromaticContact NE2-CE2 3.97Å; A131-Y136 HydrophobicContact CB-CD2 3.71Å; A131-Y136 HydrophobicContact CB-CG 4.4Å; A131-Y136 PolarHBondContact O-N 2.97Å; S134-Y136 VanDerWaalsContact C-N 3.32Å; S134-Y136 PolarHBondContact O-N 3.19Å; Y136-I138 PolarHBondContact O-N 3.42Å; Y136-I160 HydrophobicContact CD2-CD1 4.23Å; Y136-I160 HydrophobicContact CE2-CD1 4.02Å
137H89.9Confident80.5Confident118 Ų11856.7 Ų56.755%0.54628%0.282SS..EExtended strand (participates in β ladder)trans-89.799.6169.8-70.9-59000109.6G110 E111 L112 F113G110-H137 PolarHBondContact O-CD2 3.4Å; E111-H137 PolarHBondContact O-N 2.85Å; L112-H137 HydrophobicContact CD2-CB 3.53Å; L112-H137 HydrophobicContact CG-CB 4.42Å; F113-H137 PolarHBondContact N-O 3.27Å
138I88.7Confident79.6Confident44 Ų4458.4 Ų58.423%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-79.4126.9-177.6-49.6172.5000110.2F113 L115 A128 A131 L132 Y136 L140F113-I138 CarbonylContact O-C 3.01Å; F113-I138 WeakPolarHBondContact O-CA 3.36Å; L115-I138 HydrophobicContact CB-CG2 4.29Å; A128-I138 WeakPolarHBondContact O-CD1 3.48Å; A131-I138 HydrophobicContact CB-CD1 3.53Å; A131-I138 HydrophobicContact CB-CG1 3.57Å; L132-I138 HydrophobicContact CD2-CD1 3.81Å; L132-I138 HydrophobicContact CG-CD1 3.71Å; Y136-I138 PolarHBondContact O-N 3.42Å; I138-L140 HydrophobicContact CG2-CD2 3.76Å; I138-L140 HydrophobicContact CG2-CG 3.93Å
139I88Confident78.9Confident31 Ų3157.9 Ų57.916%0.15929%0.29CS..EExtended strand (participates in β ladder)trans-103.6109.3168.9-58.4-176.5000107.6L112 F113 L114 L115 Y156 I158L112-I139 HydrophobicContact CD2-CD1 4.28Å; F113-I139 PolarHBondContact O-N 3.49Å; L114-I139 HydrophobicContact CD1-CB 4.01Å; L114-I139 HydrophobicContact CD1-CG2 3.84Å; L114-I139 WeakPolarHBondContact CD1-O 3.2Å; L115-I139 PolarHBondContact N-O 3.28Å; L115-I139 VanDerWaalsContact N-O 3.14Å; I139-Y156 HydrophobicContact CD1-CD1 4.33Å; I139-Y156 HydrophobicContact CD1-CD2 4.29Å; I139-Y156 HydrophobicContact CD1-CG 3.92Å; I139-I158 HydrophobicContact CD1-CD1 3.53Å
140L82.1Confident78Confident94 Ų9458.2 Ų58.249%0.49229%0.288SS..  trans-96.2153.1173.8-61.9174.3000110.4L115 L119 I138L115-L140 HydrophobicContact CB-CD2 4.04Å; L115-L140 HydrophobicContact CD2-CD2 3.72Å; L115-L140 HydrophobicContact CG-CD2 4.26Å; L119-L140 HydrophobicContact CD1-CD1 3.91Å; L119-L140 HydrophobicContact CD1-CD2 4.14Å; L119-L140 HydrophobicContact CD2-CD2 4.23Å; L119-L140 HydrophobicContact CG-CD2 4.35Å; I138-L140 HydrophobicContact CG2-CD2 3.76Å; I138-L140 HydrophobicContact CG2-CG 3.93Å
141R71.4Confident77.2Confident54 Ų5463.2 Ų63.220%0.20432%0.315CS..  trans-124.7131.4172.5-63.1-171.763.7-178.2-6.2110R143 E145 S148 L152R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 PolarHBondContact NE-O 3.39Å; R141-R143 PolarHBondContact NH2-O 2.94Å; R141-E145 PolarHBondContact NH1-O 2.83Å; R141-E145 PolarHBondContact NH2-O 3.26Å; R141-S148 PolarHBondContact NH2-OG 3.06Å; R141-L152 VanDerWaalsContact CD-CD1 3.49Å; R141-L152 HydrophobicContact CG-CD1 4.22Å
142D64Low76.7Confident92 Ų9264.5 Ų64.549%0.49232%0.322SS..SBendtrans-67.3-36.5173-85.5-15.3000112.2F328 R329D142-F328 HydrophobicContact CB-CD1 3.42Å; D142-F328 VanDerWaalsContact CB-CD1 3.42Å; D142-F328 HydrophobicContact CB-CE1 3.62Å; D142-F328 HydrophobicContact CB-CG 4.35Å; D142-F328 WeakPolarHBondContact OD2-CA 3.4Å; D142-F328 VanDerWaalsContact OD2-CB 3.32Å; D142-F328 WeakPolarHBondContact OD2-CB 3.22Å; D142-F328 WeakPolarHBondContact OD2-CD1 2.98Å; D142-R329 PolarHBondContact OD2-N 3.45Å
143R62.5Low76.3Confident78 Ų7861.6 Ų61.629%0.29431%0.306SS..SBendtrans-137.3137.7173.5-68.4-164.5-170.2-161.46111.1R141 E145 D325 Y326 F328R141-R143 VanDerWaalsContact C-N 3.34Å; R141-R143 PolarHBondContact NE-O 3.39Å; R141-R143 PolarHBondContact NH2-O 2.94Å; R143-E145 PolarHBondContact O-N 2.98Å; R143-D325 IonicContact NH2-OD1 2.71Å; R143-Y326 VanDerWaalsContact CZ-O 3.25Å; R143-Y326 PolarHBondContact NE-O 3.39Å; R143-Y326 PolarHBondContact NH2-O 3.33Å; R143-F328 HydrophobicContact CG-CZ 4.46Å
144F63.4Low75.6Confident34 Ų3460.1 Ų60.115%0.14930%0.304CS..  trans-86114174.5-169.7-99.7000110.4T146 L149 M167 L323F144-T146 HydrophobicContact CD1-CG2 4.37Å; F144-T146 HydrophobicContact CE1-CG2 3.53Å; F144-T146 HydrophobicContact CZ-CG2 4.27Å; F144-L149 HydrophobicContact CE2-CB 3.84Å; F144-L149 HydrophobicContact CE2-CD2 3.75Å; F144-L149 HydrophobicContact CE2-CG 4.27Å; F144-L149 HydrophobicContact CZ-CB 3.89Å; F144-L149 HydrophobicContact CZ-CD2 3.7Å; F144-L149 HydrophobicContact CZ-CG 4.41Å; F144-M167 HydrophobicContact CD1-CE 4.42Å; F144-M167 HydrophobicContact CD1-CG 4.1Å; F144-M167 HydrophobicContact CD1-SD 3.61Å; F144-M167 HydrophobicContact CD2-CE 3.64Å; F144-M167 HydrophobicContact CD2-SD 3.61Å; F144-M167 HydrophobicContact CE1-CB 4.41Å; F144-M167 HydrophobicContact CE1-CE 3.81Å; F144-M167 HydrophobicContact CE1-CG 3.36Å; F144-M167 HydrophobicContact CE1-SD 3.33Å; F144-M167 WeakPolarHBondContact CE1-SD 3.16Å; F144-M167 HydrophobicContact CE2-CE 2.93Å; F144-M167 HydrophobicContact CE2-CG 4.23Å; F144-M167 HydrophobicContact CE2-SD 3.41Å; F144-M167 WeakPolarHBondContact CE2-SD 3.14Å; F144-M167 HydrophobicContact CG-CE 4.35Å; F144-M167 HydrophobicContact CG-SD 3.75Å; F144-M167 HydrophobicContact CZ-CE 3.04Å; F144-M167 HydrophobicContact CZ-CG 3.47Å; F144-M167 VanDerWaalsContact CZ-CG 3.47Å; F144-M167 HydrophobicContact CZ-SD 3.26Å; F144-M167 WeakPolarHBondContact CZ-SD 3.39Å; F144-L323 HydrophobicContact CB-CD2 3.94Å
145E65.6Low75.4Confident121 Ų12166 Ų6657%0.56533%0.325SS*.  trans-119.6124.7167.3-71178.2-174.800107.6R141 R143 H147 S148 L149R141-E145 PolarHBondContact NH1-O 2.83Å; R141-E145 PolarHBondContact NH2-O 3.26Å; R143-E145 PolarHBondContact O-N 2.98Å; E145-H147 VanDerWaalsContact C-N 3.35Å; E145-H147 PolarHBondContact O-N 3.09Å; E145-S148 PolarHBondContact O-N 3.49Å; E145-S148 VanDerWaalsContact O-N 3.15Å; E145-L149 PolarHBondContact O-N 2.98Å; E145-L149 VanDerWaalsContact O-N 3.16Å
146T63.1Low75Confident31 Ų3165.2 Ų65.219%0.1932%0.319CS..Hα-helixtrans-60.1-42.9-176.550.90000111.9F144 S148 L149 F170F144-T146 HydrophobicContact CD1-CG2 4.37Å; F144-T146 HydrophobicContact CE1-CG2 3.53Å; F144-T146 HydrophobicContact CZ-CG2 4.27Å; T146-S148 VanDerWaalsContact C-N 3.3Å; T146-S148 PolarHBondContact O-N 2.91Å; T146-L149 PolarHBondContact O-N 2.57Å; T146-F170 VanDerWaalsContact CB-CD1 3.42Å; T146-F170 HydrophobicContact CG2-CD1 3.19Å; T146-F170 HydrophobicContact CG2-CE1 3.42Å; T146-F170 VanDerWaalsContact CG2-CE1 3.42Å; T146-F170 HydrophobicContact CG2-CG 3.93Å; T146-F170 HydrophobicContact CG2-CZ 4.27Å; T146-F170 WeakPolarHBondContact OG1-CE1 3.4Å
147H64.6Low74.8Confident122 Ų12271.5 Ų71.557%0.56535%0.346SS*.Hα-helixtrans-62-36.4176.5-67.7-67.8000112.8E145E145-H147 VanDerWaalsContact C-N 3.35Å; E145-H147 PolarHBondContact O-N 3.09Å
148S72.1Confident74.6Confident37 Ų3765.9 Ų65.926%0.25932%0.32SS..Hα-helixtrans-73.6-31.6179.9178.50000112.2R141 E145 T146 R150 N151 L152R141-S148 PolarHBondContact NH2-OG 3.06Å; E145-S148 PolarHBondContact O-N 3.49Å; E145-S148 VanDerWaalsContact O-N 3.15Å; T146-S148 VanDerWaalsContact C-N 3.3Å; T146-S148 PolarHBondContact O-N 2.91Å; S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 2.86Å; S148-N151 PolarHBondContact O-N 3.18Å; S148-N151 VanDerWaalsContact O-N 3.09Å; S148-L152 WeakPolarHBondContact O-CG 3.26Å; S148-L152 PolarHBondContact O-N 2.86Å
149L75Confident74.6Confident0 Ų065.7 Ų65.70%032%0.32CS..Hα-helixtrans-58.7-40177.7179.256.5000112.2L114 F144 E145 T146 N151 L152 L153 M167 L171L114-L149 HydrophobicContact CD2-CD1 3.37Å; F144-L149 HydrophobicContact CE2-CB 3.84Å; F144-L149 HydrophobicContact CE2-CD2 3.75Å; F144-L149 HydrophobicContact CE2-CG 4.27Å; F144-L149 HydrophobicContact CZ-CB 3.89Å; F144-L149 HydrophobicContact CZ-CD2 3.7Å; F144-L149 HydrophobicContact CZ-CG 4.41Å; E145-L149 PolarHBondContact O-N 2.98Å; E145-L149 VanDerWaalsContact O-N 3.16Å; T146-L149 PolarHBondContact O-N 2.57Å; L149-N151 PolarHBondContact O-N 3.2Å; L149-L152 PolarHBondContact O-N 2.81Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L149-L153 HydrophobicContact CD1-CD1 4.11Å; L149-L153 HydrophobicContact CD1-CD2 4.32Å; L149-L153 HydrophobicContact CD1-CG 3.88Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 2.83Å; L149-M167 HydrophobicContact CD2-CE 3.31Å; L149-L171 HydrophobicContact CB-CD2 4.21Å; L149-L171 HydrophobicContact CD2-CD1 3.24Å; L149-L171 HydrophobicContact CD2-CD2 3.89Å; L149-L171 HydrophobicContact CD2-CG 4.08Å; L149-L171 HydrophobicContact CG-CD1 4.19Å; L149-L171 HydrophobicContact CG-CD2 4.22Å
150R70.2Confident74.7Confident54 Ų5464.2 Ų64.220%0.20431%0.312CS..Hα-helixtrans-56.8-40177.7-57.3-174.6-164.2172.516.2112.3S148 L171 N174S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 2.86Å; R150-L171 HydrophobicContact CG-CD2 4.32Å; R150-N174 PolarHBondContact NH1-O 3.46Å; R150-N174 VanDerWaalsContact NH1-O 3.17Å
151N73.5Confident75.1Confident111 Ų11159.9 Ų59.959%0.59429%0.29SS*.Hα-helixtrans-75.7-35.5179.6-68.5-20.1000111.3S148 L149 K155S148-N151 PolarHBondContact O-N 3.18Å; S148-N151 VanDerWaalsContact O-N 3.09Å; L149-N151 PolarHBondContact O-N 3.2Å; N151-K155 WeakPolarHBondContact O-CB 3.36Å; N151-K155 PolarHBondContact O-N 2.79Å
152L76.8Confident76Confident27 Ų2757.3 Ų57.314%0.14128%0.28CS..Hα-helixtrans-65.3-46.9178.3-67.6173.6000112.3R141 S148 L149 G154 K155 Y156R141-L152 VanDerWaalsContact CD-CD1 3.49Å; R141-L152 HydrophobicContact CG-CD1 4.22Å; S148-L152 WeakPolarHBondContact O-CG 3.26Å; S148-L152 PolarHBondContact O-N 2.86Å; L149-L152 PolarHBondContact O-N 2.81Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L152-G154 PolarHBondContact O-N 3.1Å; L152-K155 PolarHBondContact O-N 3.33Å; L152-Y156 HydrophobicContact CB-CD2 4.38Å; L152-Y156 HydrophobicContact CD2-CD2 3.75Å; L152-Y156 HydrophobicContact CD2-CE2 3.41Å; L152-Y156 VanDerWaalsContact CD2-CE2 3.41Å; L152-Y156 PolarHBondContact O-N 3.46Å
153L78.8Confident77Confident8 Ų853 Ų534%0.04226%0.256CS..Hα-helixtrans-56.4-50.3-179.7-70.3167.8000111L114 L149 K157 I158 L161 L181 V184L114-L153 HydrophobicContact CD2-CD2 4.08Å; L149-L153 HydrophobicContact CD1-CD1 4.11Å; L149-L153 HydrophobicContact CD1-CD2 4.32Å; L149-L153 HydrophobicContact CD1-CG 3.88Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 2.83Å; L153-K157 PolarHBondContact O-N 3.03Å; L153-K157 VanDerWaalsContact O-N 3.17Å; L153-I158 HydrophobicContact CD2-CB 4Å; L153-I158 HydrophobicContact CD2-CG1 3.93Å; L153-I158 HydrophobicContact CD2-CG2 4.35Å; L153-L161 HydrophobicContact CD2-CD1 4.37Å; L153-L161 HydrophobicContact CD2-CD2 4.28Å; L153-L181 HydrophobicContact CD1-CD2 3.81Å; L153-L181 HydrophobicContact CD2-CD2 4.48Å; L153-V184 HydrophobicContact CD2-CG2 4.09Å
154G74Confident78Confident43 Ų4350 Ų5044%0.44325%0.247SC..Hα-helixtrans-70-37.1177.800000114.2L152L152-G154 PolarHBondContact O-N 3.1Å
155K81.2Confident78.7Confident152 Ų15248.3 Ų48.366%0.66124%0.24SC*.Hα-helixtrans-72.4-45.2-176.4-179.3178.5179.3-176.10112.7N151 L152N151-K155 WeakPolarHBondContact O-CB 3.36Å; N151-K155 PolarHBondContact O-N 2.79Å; L152-K155 PolarHBondContact O-N 3.33Å
156Y81.2Confident79.1Confident102 Ų10246.4 Ų46.440%0.423%0.231SC..Hα-helixtrans-95.7-9-172.6-67.7-70.4000113.2L112 I139 L152L112-Y156 WeakPolarHBondContact CD1-O 3.42Å; I139-Y156 HydrophobicContact CD1-CD1 4.33Å; I139-Y156 HydrophobicContact CD1-CD2 4.29Å; I139-Y156 HydrophobicContact CD1-CG 3.92Å; L152-Y156 HydrophobicContact CB-CD2 4.38Å; L152-Y156 HydrophobicContact CD2-CD2 3.75Å; L152-Y156 HydrophobicContact CD2-CE2 3.41Å; L152-Y156 VanDerWaalsContact CD2-CE2 3.41Å; L152-Y156 PolarHBondContact O-N 3.46Å
157K84.1Confident79.8Confident148 Ų14845.8 Ų45.864%0.64323%0.226SC*.THydrogen-bonded Turntrans53.555.9-176.5-59.8-174.7177.7-175.10111.7L153 S183L153-K157 PolarHBondContact O-N 3.03Å; L153-K157 VanDerWaalsContact O-N 3.17Å; K157-S183 VanDerWaalsContact CA-OG 3.27Å; K157-S183 WeakPolarHBondContact CA-OG 3.26Å
158I87.5Confident80.4Confident0 Ų040.3 Ų40.30%020%0.201CC..  trans-55.5136.1-179.3-57.1-53.3000110.6L112 L114 I139 L153 I160 S183 V184L112-I158 HydrophobicContact CB-CD1 4.49Å; L114-I158 HydrophobicContact CB-CD1 4.05Å; L114-I158 HydrophobicContact CB-CG1 4.14Å; L114-I158 HydrophobicContact CB-CG2 3.56Å; L114-I158 HydrophobicContact CD2-CD1 4.39Å; L114-I158 HydrophobicContact CD2-CG1 4.02Å; I139-I158 HydrophobicContact CD1-CD1 3.53Å; L153-I158 HydrophobicContact CD2-CB 4Å; L153-I158 HydrophobicContact CD2-CG1 3.93Å; L153-I158 HydrophobicContact CD2-CG2 4.35Å; I158-I160 WeakPolarHBondContact CG2-O 3.43Å; I158-S183 PolarHBondContact N-OG 3.36Å; I158-S183 CarbonylContact O-C 3.54Å; I158-S183 WeakPolarHBondContact O-CB 3.06Å; I158-S183 PolarHBondContact O-OG 3.01Å; I158-V184 HydrophobicContact CB-CG2 4.37Å; I158-V184 VanDerWaalsContact O-CA 3.32Å; I158-V184 WeakPolarHBondContact O-CA 3.33Å; I158-V184 WeakPolarHBondContact O-CG2 3.16Å; I158-V184 PolarHBondContact O-N 3.3Å; I158-V184 VanDerWaalsContact O-N 3.15Å
159N88.8Confident80.4Confident41 Ų4139.4 Ų39.422%0.21919%0.194CC..SBendtrans-96.3-45176.9-54.8118000111.8E111 L112 S183 T185 M186E111-N159 HydrophobicContact CB-CB 4.09Å; E111-N159 HydrophobicContact CG-CB 4.26Å; L112-N159 PolarHBondContact N-OD1 3.5Å; L112-N159 PolarHBondContact O-N 2.81Å; N159-S183 WeakPolarHBondContact CA-O 3.27Å; N159-S183 PolarHBondContact ND2-O 3.23Å; N159-T185 PolarHBondContact O-N 3.12Å; N159-T185 PolarHBondContact O-OG1 3.36Å; N159-M186 PolarHBondContact O-N 3.39Å
160I90Very high80.2Confident0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-116.1119.8179.4-57.2166000108.2F104 E111 L112 F113 L114 Y136 I158 T162 M186F104-I160 HydrophobicContact CE1-CG2 4.28Å; E111-I160 HydrophobicContact CB-CD1 4.38Å; E111-I160 VanDerWaalsContact OE2-CD1 3.27Å; E111-I160 WeakPolarHBondContact OE2-CD1 3.37Å; L112-I160 PolarHBondContact O-N 3.29Å; L112-I160 VanDerWaalsContact O-N 3.11Å; F113-I160 HydrophobicContact CD2-CB 3.86Å; F113-I160 HydrophobicContact CD2-CD1 3.66Å; F113-I160 HydrophobicContact CD2-CG1 4.39Å; F113-I160 HydrophobicContact CD2-CG2 3.69Å; F113-I160 HydrophobicContact CE2-CB 4.38Å; F113-I160 HydrophobicContact CE2-CD1 4.27Å; F113-I160 HydrophobicContact CE2-CG2 3.7Å; F113-I160 HydrophobicContact CG-CB 4.3Å; F113-I160 HydrophobicContact CG-CG2 4.35Å; F113-I160 HydrophobicContact CZ-CG2 4.32Å; L114-I160 PolarHBondContact N-O 2.58Å; Y136-I160 HydrophobicContact CD2-CD1 4.23Å; Y136-I160 HydrophobicContact CE2-CD1 4.02Å; I158-I160 WeakPolarHBondContact CG2-O 3.43Å; I160-T162 HydrophobicContact CG2-CG2 3.95Å; I160-M186 HydrophobicContact CG1-CB 4.31Å; I160-M186 HydrophobicContact CG2-CB 4.35Å; I160-M186 HydrophobicContact CG2-CG 4.22Å; I160-M186 HydrophobicContact CG2-SD 4.4Å
161L89.1Confident80.2Confident3 Ų341 Ų412%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-105.9121.3173.8172.559.9000109.2L114 L153 A163 L168 V184 M186 V187 C188L114-L161 HydrophobicContact CB-CD1 4.36Å; L114-L161 HydrophobicContact CD2-CD1 3.95Å; L114-L161 HydrophobicContact CG-CD1 4.12Å; L153-L161 HydrophobicContact CD2-CD1 4.37Å; L153-L161 HydrophobicContact CD2-CD2 4.28Å; L161-A163 HydrophobicContact CD1-CB 4.47Å; L161-L168 HydrophobicContact CD2-CD2 3.79Å; L161-L168 HydrophobicContact CG-CD2 4.39Å; L161-V184 HydrophobicContact CB-CG1 4.01Å; L161-M186 PolarHBondContact N-O 2.87Å; L161-V187 HydrophobicContact CB-CG2 4.32Å; L161-V187 HydrophobicContact CD2-CG1 4.5Å; L161-V187 HydrophobicContact CD2-CG2 4.34Å; L161-V187 CarbonylContact O-C 3.46Å; L161-V187 VanDerWaalsContact O-CA 3.27Å; L161-V187 WeakPolarHBondContact O-CA 3.33Å; L161-C188 PolarHBondContact O-N 2.87Å
162T90.1Very high79.9Confident0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-118.5123.9171.967.60000110.3F113 L114 L115 C116 L127 I160 C188F113-T162 HydrophobicContact CE1-CG2 3.7Å; F113-T162 WeakPolarHBondContact CE1-OG1 3.32Å; F113-T162 HydrophobicContact CE2-CG2 4.13Å; F113-T162 HydrophobicContact CZ-CG2 3.39Å; L114-T162 PolarHBondContact O-N 3.15Å; L114-T162 PolarHBondContact O-OG1 2.8Å; L115-T162 WeakPolarHBondContact CA-OG1 2.99Å; L115-T162 VanDerWaalsContact CD1-OG1 3.22Å; L115-T162 WeakPolarHBondContact CD1-OG1 3.41Å; C116-T162 WeakPolarHBondContact CA-O 3.33Å; C116-T162 WeakPolarHBondContact CB-O 3.49Å; C116-T162 PolarHBondContact N-O 3.03Å; C116-T162 PolarHBondContact SG-O 2.88Å; L127-T162 HydrophobicContact CD1-CG2 4.3Å; L127-T162 HydrophobicContact CD2-CG2 4.36Å; I160-T162 HydrophobicContact CG2-CG2 3.95Å; T162-C188 VanDerWaalsContact CA-O 3.23Å; T162-C188 WeakPolarHBondContact CA-O 3.48Å; T162-C188 HydrophobicContact CG2-CB 3.86Å
163A85.7Confident79.4Confident0 Ų042 Ų420%020%0.204CC..EExtended strand (participates in β ladder)trans-157.7147.3-173.700000113C116 F117 L161 M167 L168 C188 T189C116-A163 HydrophobicContact CB-CB 3.88Å; F117-A163 VanDerWaalsContact CE2-N 3.25Å; F117-A163 VanDerWaalsContact CZ-O 3.27Å; F117-A163 WeakPolarHBondContact CZ-O 3.28Å; L161-A163 HydrophobicContact CD1-CB 4.47Å; A163-M167 HydrophobicContact CB-CE 3.61Å; A163-M167 HydrophobicContact CB-SD 4.06Å; A163-L168 HydrophobicContact CB-CD1 4.22Å; A163-L168 HydrophobicContact CB-CD2 3.82Å; A163-L168 HydrophobicContact CB-CG 3.86Å; A163-C188 PolarHBondContact N-O 3.22Å; A163-C188 VanDerWaalsContact N-O 3.14Å; A163-T189 VanDerWaalsContact O-CA 3.26Å; A163-T189 WeakPolarHBondContact O-CA 3.14Å; A163-T189 VanDerWaalsContact O-CB 3.31Å; A163-T189 WeakPolarHBondContact O-CB 3.31Å; A163-T189 PolarHBondContact O-OG1 3.37Å
164P82.9Confident78.7Confident15 Ų1544.5 Ų44.510%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-55.1146.4168.4-22.331.8000111.2F117 E166 M167 L168F117-P164 HydrophobicContact CD1-CG 3.74Å; F117-P164 HydrophobicContact CE1-CB 4.08Å; F117-P164 HydrophobicContact CE1-CG 3.63Å; F117-P164 HydrophobicContact CZ-CG 4.46Å; P164-E166 VanDerWaalsContact C-N 3.33Å; P164-E166 PolarHBondContact O-N 3.15Å; P164-M167 HydrophobicContact CB-CB 4.48Å; P164-M167 WeakPolarHBondContact O-CB 3.44Å; P164-M167 PolarHBondContact O-N 3.04Å; P164-L168 PolarHBondContact O-N 3.13Å
165L79.1Confident78Confident0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-63.4-40.5-174.3176.959.3000112.8M167 L168 T169 T189 S190 S191 S195 A196 V199 L203L165-M167 PolarHBondContact O-N 3.38Å; L165-M167 VanDerWaalsContact O-N 3.15Å; L165-L168 PolarHBondContact O-N 3.46Å; L165-T169 PolarHBondContact O-N 3.35Å; L165-T169 PolarHBondContact O-OG1 2.99Å; L165-T189 WeakPolarHBondContact CA-OG1 3.38Å; L165-T189 HydrophobicContact CD1-CG2 4.3Å; L165-T189 PolarHBondContact N-OG1 3.31Å; L165-T189 VanDerWaalsContact N-OG1 3.11Å; L165-S190 PolarHBondContact N-O 2.9Å; L165-S191 WeakPolarHBondContact CD2-OG 3.23Å; L165-S195 WeakPolarHBondContact CD2-O 3.25Å; L165-A196 VanDerWaalsContact CD2-CA 3.47Å; L165-V199 HydrophobicContact CD1-CB 4.26Å; L165-V199 HydrophobicContact CD1-CG2 3.4Å; L165-V199 VanDerWaalsContact CD1-CG2 3.4Å; L165-V199 HydrophobicContact CD2-CG2 3.65Å; L165-V199 HydrophobicContact CG-CG2 4.18Å; L165-L203 HydrophobicContact CD1-CD1 3.81Å
166E74Confident77Confident81 Ų8143.4 Ų43.438%0.37921%0.21SC..Hα-helixtrans-56.4-36.2-179.9-62.972.1-156.200111.3P164 F170 S195P164-E166 VanDerWaalsContact C-N 3.33Å; P164-E166 PolarHBondContact O-N 3.15Å; E166-F170 PolarHBondContact O-N 3.48Å; E166-F170 VanDerWaalsContact O-N 3.08Å; E166-S195 WeakPolarHBondContact OE1-CB 3.44Å; E166-S195 PolarHBondContact OE1-OG 3.3Å
167M77Confident75.8Confident18 Ų1840.5 Ų40.59%0.08921%0.211CC..Hα-helixtrans-71.3-37.6178.1167.4179.1147.300112.1C116 F144 L149 A163 P164 L165 L171C116-M167 HydrophobicContact CB-CE 3.36Å; C116-M167 HydrophobicContact CB-SD 3.74Å; C116-M167 WeakPolarHBondContact SG-CE 3.46Å; F144-M167 HydrophobicContact CD1-CE 4.42Å; F144-M167 HydrophobicContact CD1-CG 4.1Å; F144-M167 HydrophobicContact CD1-SD 3.61Å; F144-M167 HydrophobicContact CD2-CE 3.64Å; F144-M167 HydrophobicContact CD2-SD 3.61Å; F144-M167 HydrophobicContact CE1-CB 4.41Å; F144-M167 HydrophobicContact CE1-CE 3.81Å; F144-M167 HydrophobicContact CE1-CG 3.36Å; F144-M167 HydrophobicContact CE1-SD 3.33Å; F144-M167 WeakPolarHBondContact CE1-SD 3.16Å; F144-M167 HydrophobicContact CE2-CE 2.93Å; F144-M167 HydrophobicContact CE2-CG 4.23Å; F144-M167 HydrophobicContact CE2-SD 3.41Å; F144-M167 WeakPolarHBondContact CE2-SD 3.14Å; F144-M167 HydrophobicContact CG-CE 4.35Å; F144-M167 HydrophobicContact CG-SD 3.75Å; F144-M167 HydrophobicContact CZ-CE 3.04Å; F144-M167 HydrophobicContact CZ-CG 3.47Å; F144-M167 VanDerWaalsContact CZ-CG 3.47Å; F144-M167 HydrophobicContact CZ-SD 3.26Å; F144-M167 WeakPolarHBondContact CZ-SD 3.39Å; L149-M167 HydrophobicContact CD2-CE 3.31Å; A163-M167 HydrophobicContact CB-CE 3.61Å; A163-M167 HydrophobicContact CB-SD 4.06Å; P164-M167 HydrophobicContact CB-CB 4.48Å; P164-M167 WeakPolarHBondContact O-CB 3.44Å; P164-M167 PolarHBondContact O-N 3.04Å; L165-M167 PolarHBondContact O-N 3.38Å; L165-M167 VanDerWaalsContact O-N 3.15Å; M167-L171 WeakPolarHBondContact O-CG 3.37Å; M167-L171 PolarHBondContact O-N 3.2Å
168L77.2Confident74.5Confident6 Ų642.2 Ų42.23%0.03122%0.221CC..Hα-helixtrans-71.6-39.5175.5-63.3171.6000111.6L161 A163 P164 L165 F170 L171 D172 V187 T189 L203L161-L168 HydrophobicContact CD2-CD2 3.79Å; L161-L168 HydrophobicContact CG-CD2 4.39Å; A163-L168 HydrophobicContact CB-CD1 4.22Å; A163-L168 HydrophobicContact CB-CD2 3.82Å; A163-L168 HydrophobicContact CB-CG 3.86Å; P164-L168 PolarHBondContact O-N 3.13Å; L165-L168 PolarHBondContact O-N 3.46Å; L168-F170 VanDerWaalsContact C-N 3.29Å; L168-F170 PolarHBondContact O-N 3.48Å; L168-L171 HydrophobicContact CD2-CD1 3.98Å; L168-L171 WeakPolarHBondContact O-CB 3.14Å; L168-L171 PolarHBondContact O-N 2.86Å; L168-L171 VanDerWaalsContact O-N 3.08Å; L168-D172 PolarHBondContact O-N 2.97Å; L168-D172 VanDerWaalsContact O-N 3.14Å; L168-V187 HydrophobicContact CD1-CG1 3.67Å; L168-T189 HydrophobicContact CD1-CG2 4.37Å; L168-T189 WeakPolarHBondContact CD1-OG1 3.32Å; L168-L203 HydrophobicContact CB-CD1 3.62Å; L168-L203 HydrophobicContact CB-CD2 4.22Å; L168-L203 HydrophobicContact CB-CG 4.26Å; L168-L203 HydrophobicContact CD1-CD1 3.8Å; L168-L203 HydrophobicContact CD1-CD2 3.94Å; L168-L203 HydrophobicContact CD2-CD2 4.41Å; L168-L203 HydrophobicContact CG-CD1 4.32Å; L168-L203 HydrophobicContact CG-CD2 4.42Å
169T72.7Confident73.2Confident18 Ų1848.3 Ų48.311%0.1125%0.254CS..Hα-helixtrans-58-42.7173.3-56.20000111.1L165 L171 D172 E173 K198L165-T169 PolarHBondContact O-N 3.35Å; L165-T169 PolarHBondContact O-OG1 2.99Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 3.18Å; T169-D172 PolarHBondContact O-N 3.36Å; T169-E173 PolarHBondContact O-N 3.46Å; T169-E173 VanDerWaalsContact O-N 3.12Å; T169-K198 PolarHBondContact OG1-O 2.86Å
170F71Confident71.9Confident76 Ų7651.2 Ų51.233%0.33326%0.264SS..Hα-helixtrans-62.8-34.9175.6-174.8-82.7000113T146 E166 L168 D172 N174T146-F170 VanDerWaalsContact CB-CD1 3.42Å; T146-F170 HydrophobicContact CG2-CD1 3.19Å; T146-F170 HydrophobicContact CG2-CE1 3.42Å; T146-F170 VanDerWaalsContact CG2-CE1 3.42Å; T146-F170 HydrophobicContact CG2-CG 3.93Å; T146-F170 HydrophobicContact CG2-CZ 4.27Å; T146-F170 WeakPolarHBondContact OG1-CE1 3.4Å; E166-F170 PolarHBondContact O-N 3.48Å; E166-F170 VanDerWaalsContact O-N 3.08Å; L168-F170 VanDerWaalsContact C-N 3.29Å; L168-F170 PolarHBondContact O-N 3.48Å; F170-D172 VanDerWaalsContact C-N 3.35Å; F170-N174 WeakPolarHBondContact CE1-ND2 3.22Å; F170-N174 PolarHBondContact O-ND2 3.49Å
171L69.8Low71Confident11 Ų1152.3 Ų52.36%0.05827%0.27CS..Hα-helixtrans-65.3-42176.4-67.2165.7000111.3L149 R150 M167 L168 T169 N174 V176L149-L171 HydrophobicContact CB-CD2 4.21Å; L149-L171 HydrophobicContact CD2-CD1 3.24Å; L149-L171 HydrophobicContact CD2-CD2 3.89Å; L149-L171 HydrophobicContact CD2-CG 4.08Å; L149-L171 HydrophobicContact CG-CD1 4.19Å; L149-L171 HydrophobicContact CG-CD2 4.22Å; R150-L171 HydrophobicContact CG-CD2 4.32Å; M167-L171 WeakPolarHBondContact O-CG 3.37Å; M167-L171 PolarHBondContact O-N 3.2Å; L168-L171 HydrophobicContact CD2-CD1 3.98Å; L168-L171 WeakPolarHBondContact O-CB 3.14Å; L168-L171 PolarHBondContact O-N 2.86Å; L168-L171 VanDerWaalsContact O-N 3.08Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 3.18Å; L171-N174 PolarHBondContact O-N 3.26Å; L171-V176 HydrophobicContact CB-CG2 4.28Å; L171-V176 WeakPolarHBondContact O-CG2 3.36Å
172D66.9Low70.3Confident25 Ų2557.7 Ų57.713%0.13430%0.299CS..Hα-helixtrans-63.2-49.2-179.5-166.7-2.8000111.8L168 T169 F170 N174 D175 N200 S201 V202L168-D172 PolarHBondContact O-N 2.97Å; L168-D172 VanDerWaalsContact O-N 3.14Å; T169-D172 PolarHBondContact O-N 3.36Å; F170-D172 VanDerWaalsContact C-N 3.35Å; D172-N174 PolarHBondContact O-N 2.88Å; D172-D175 PolarHBondContact O-N 3.43Å; D172-N200 HydrophobicContact CB-CB 4.35Å; D172-N200 WeakPolarHBondContact OD2-CB 3.45Å; D172-S201 PolarHBondContact OD2-N 2.92Å; D172-V202 HydrophobicContact CB-CB 4.26Å; D172-V202 HydrophobicContact CB-CG2 4.44Å; D172-V202 VanDerWaalsContact CG-CG2 3.47Å; D172-V202 WeakPolarHBondContact OD1-CG2 3.49Å; D172-V202 PolarHBondContact OD2-N 3.01Å; D172-V202 VanDerWaalsContact OD2-N 3.12Å
173E66.9Low69.9Low135 Ų13559 Ų5963%0.63131%0.308SS*.THydrogen-bonded Turntrans-57.6-15.1179.6-72.3178177.500114.3T169T169-E173 PolarHBondContact O-N 3.46Å; T169-E173 VanDerWaalsContact O-N 3.12Å
174N64.5Low69.9Low61 Ų6159.6 Ų59.633%0.32631%0.312SS..THydrogen-bonded Turntrans-115.129.6-178.7-67.6-91.3000114R150 F170 L171 D172R150-N174 PolarHBondContact NH1-O 3.46Å; R150-N174 VanDerWaalsContact NH1-O 3.17Å; F170-N174 WeakPolarHBondContact CE1-ND2 3.22Å; F170-N174 PolarHBondContact O-ND2 3.49Å; L171-N174 PolarHBondContact O-N 3.26Å; D172-N174 PolarHBondContact O-N 2.88Å
175D59Low69.9Low142 Ų14261.9 Ų61.976%0.75933%0.326SS*.  trans61.679.3166.6-158.313.4000114D172 G177D172-D175 PolarHBondContact O-N 3.43Å; D175-G177 VanDerWaalsContact C-N 3.35Å; D175-G177 PolarHBondContact O-N 3.15Å; D175-G177 VanDerWaalsContact O-N 3.11Å
176V58.8Low70.3Confident29 Ų2962.6 Ų62.618%0.17633%0.329CS..  trans-76.389.8165.7-172.50000107.7L171 E178 K180 L181L171-V176 HydrophobicContact CB-CG2 4.28Å; L171-V176 WeakPolarHBondContact O-CG2 3.36Å; V176-E178 PolarHBondContact O-N 3.38Å; V176-K180 HydrophobicContact CG1-CB 4.23Å; V176-L181 HydrophobicContact CG1-CD1 3.98Å; V176-L181 HydrophobicContact CG1-CG 4.07Å
177G56.4Low70.9Confident41 Ų4158.8 Ų58.842%0.42331%0.311SS..  trans-51140.8172.300000111.6D175 N179 K180D175-G177 VanDerWaalsContact C-N 3.35Å; D175-G177 PolarHBondContact O-N 3.15Å; D175-G177 VanDerWaalsContact O-N 3.11Å; G177-N179 PolarHBondContact O-N 3.39Å; G177-K180 PolarHBondContact O-N 3.05Å
178E56.1Low71.5Confident185 Ų18558 Ų5886%0.86431%0.307SS*.THydrogen-bonded Turntrans-45.2-14.2-166.5-69.4177.3158.400117V176 N182V176-E178 PolarHBondContact O-N 3.38Å; E178-N182 PolarHBondContact O-OD1 3.01Å; E178-N182 VanDerWaalsContact O-OD1 3.07Å
179N60.3Low72Confident128 Ų12857.7 Ų57.768%0.68431%0.306SS*.THydrogen-bonded Turntrans-100.6-5.7-170.8-75.4-37000116.4G177G177-N179 PolarHBondContact O-N 3.39Å
180K62.9Low72.4Confident101 Ų10157.7 Ų57.744%0.43931%0.307SS..SBendtrans-92.5-13.7-171.3-72.5-172.4-179.6177.30115.5V176 G177V176-K180 HydrophobicContact CG1-CB 4.23Å; G177-K180 PolarHBondContact O-N 3.05Å
181L70.8Confident72Confident23 Ų2354.9 Ų54.912%0.1230%0.297CS..SBendtrans-103.44.3178.6-64171.2000112.7L153 V176 S183 V184 V202 L206L153-L181 HydrophobicContact CD1-CD2 3.81Å; L153-L181 HydrophobicContact CD2-CD2 4.48Å; V176-L181 HydrophobicContact CG1-CD1 3.98Å; V176-L181 HydrophobicContact CG1-CG 4.07Å; L181-S183 PolarHBondContact O-N 3.46Å; L181-V184 HydrophobicContact CD2-CG2 3.96Å; L181-V184 WeakPolarHBondContact O-CA 3.12Å; L181-V184 WeakPolarHBondContact O-CB 3.35Å; L181-V184 PolarHBondContact O-N 2.86Å; L181-V202 HydrophobicContact CD1-CG1 3.74Å; L181-L206 HydrophobicContact CB-CD1 4.47Å; L181-L206 HydrophobicContact CB-CD2 4.23Å; L181-L206 HydrophobicContact CD1-CD1 3.96Å
182N73.7Confident71.7Confident116 Ų11656.2 Ų56.262%0.6230%0.304SS*.THydrogen-bonded Turntrans-59.4-20.5-174.9-63.74.6000114.5E178E178-N182 PolarHBondContact O-OD1 3.01Å; E178-N182 VanDerWaalsContact O-OD1 3.07Å
183S82.4Confident71.1Confident29 Ų2956.1 Ų56.120%0.20330%0.302CS..THydrogen-bonded Turntrans-88.5-21.4174.2640000113.5K157 I158 N159 L181 T185K157-S183 VanDerWaalsContact CA-OG 3.27Å; K157-S183 WeakPolarHBondContact CA-OG 3.26Å; I158-S183 PolarHBondContact N-OG 3.36Å; I158-S183 CarbonylContact O-C 3.54Å; I158-S183 WeakPolarHBondContact O-CB 3.06Å; I158-S183 PolarHBondContact O-OG 3.01Å; N159-S183 WeakPolarHBondContact CA-O 3.27Å; N159-S183 PolarHBondContact ND2-O 3.23Å; L181-S183 PolarHBondContact O-N 3.46Å; S183-T185 PolarHBondContact O-N 2.94Å
184V84.9Confident70.3Confident11 Ų1153 Ų537%0.06729%0.287CS..  trans-77.3116.7-176.9-178.60000107.5L153 I158 L161 L181 M186 V187L153-V184 HydrophobicContact CD2-CG2 4.09Å; I158-V184 HydrophobicContact CB-CG2 4.37Å; I158-V184 VanDerWaalsContact O-CA 3.32Å; I158-V184 WeakPolarHBondContact O-CA 3.33Å; I158-V184 WeakPolarHBondContact O-CG2 3.16Å; I158-V184 PolarHBondContact O-N 3.3Å; I158-V184 VanDerWaalsContact O-N 3.15Å; L161-V184 HydrophobicContact CB-CG1 4.01Å; L181-V184 HydrophobicContact CD2-CG2 3.96Å; L181-V184 WeakPolarHBondContact O-CA 3.12Å; L181-V184 WeakPolarHBondContact O-CB 3.35Å; L181-V184 PolarHBondContact O-N 2.86Å; V184-M186 VanDerWaalsContact CG1-O 3.3Å; V184-M186 WeakPolarHBondContact CG1-O 3.3Å; V184-V187 HydrophobicContact CG1-CG2 3.73Å
185T84.3Confident69.9Low64 Ų6450.4 Ų50.439%0.39327%0.274SS..  trans-109.71.7179.854.10000111.3R107 N159 S183 S208R107-T185 PolarHBondContact NH2-OG1 2.92Å; N159-T185 PolarHBondContact O-N 3.12Å; N159-T185 PolarHBondContact O-OG1 3.36Å; S183-T185 PolarHBondContact O-N 2.94Å; T185-S208 WeakPolarHBondContact O-CB 3.25Å; T185-S208 PolarHBondContact O-OG 3.05Å
186M86.4Confident69.6Low15 Ų1543.8 Ų43.87%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-159.4132.3178.5179.6159.6-75.500110.9V103 F104 N159 I160 L161 V184 S208V103-M186 HydrophobicContact CB-CE 4.24Å; V103-M186 HydrophobicContact CG1-CE 3.49Å; V103-M186 VanDerWaalsContact CG1-CE 3.49Å; V103-M186 HydrophobicContact CG1-CG 4.24Å; V103-M186 HydrophobicContact CG1-SD 3.33Å; V103-M186 WeakPolarHBondContact CG1-SD 3.42Å; V103-M186 WeakPolarHBondContact O-CE 3.32Å; F104-M186 HydrophobicContact CD1-SD 4.36Å; F104-M186 HydrophobicContact CE1-SD 4.08Å; F104-M186 HydrophobicContact CZ-SD 4.41Å; N159-M186 PolarHBondContact O-N 3.39Å; I160-M186 HydrophobicContact CG1-CB 4.31Å; I160-M186 HydrophobicContact CG2-CB 4.35Å; I160-M186 HydrophobicContact CG2-CG 4.22Å; I160-M186 HydrophobicContact CG2-SD 4.4Å; L161-M186 PolarHBondContact N-O 2.87Å; V184-M186 VanDerWaalsContact CG1-O 3.3Å; V184-M186 WeakPolarHBondContact CG1-O 3.3Å; M186-S208 WeakPolarHBondContact CA-O 3.46Å
187V87.3Confident69.4Low1 Ų144.5 Ų44.51%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-121.5114.9168.1-176.90000108.6L161 L168 V184 L203 L206 S208 T209 I210L161-V187 HydrophobicContact CB-CG2 4.32Å; L161-V187 HydrophobicContact CD2-CG1 4.5Å; L161-V187 HydrophobicContact CD2-CG2 4.34Å; L161-V187 CarbonylContact O-C 3.46Å; L161-V187 VanDerWaalsContact O-CA 3.27Å; L161-V187 WeakPolarHBondContact O-CA 3.33Å; L168-V187 HydrophobicContact CD1-CG1 3.67Å; V184-V187 HydrophobicContact CG1-CG2 3.73Å; V187-L203 HydrophobicContact CG1-CD2 3.96Å; V187-L206 HydrophobicContact CG2-CD1 3.62Å; V187-S208 PolarHBondContact N-O 3.3Å; V187-T209 HydrophobicContact CB-CG2 3.97Å; V187-T209 HydrophobicContact CG1-CG2 4.11Å; V187-T209 CarbonylContact O-C 3.53Å; V187-T209 WeakPolarHBondContact O-CA 3.37Å; V187-I210 PolarHBondContact O-N 2.71Å
188C88.9Confident69.4Low0 Ų048.3 Ų48.30%025%0.245CC..EExtended strand (participates in β ladder)trans-103.8115.2171.3176.10000108.6F104 L161 T162 A163 I210F104-C188 HydrophobicContact CZ-CB 4.43Å; L161-C188 PolarHBondContact O-N 2.87Å; T162-C188 VanDerWaalsContact CA-O 3.23Å; T162-C188 WeakPolarHBondContact CA-O 3.48Å; T162-C188 HydrophobicContact CG2-CB 3.86Å; A163-C188 PolarHBondContact N-O 3.22Å; A163-C188 VanDerWaalsContact N-O 3.14Å; C188-I210 HydrophobicContact CB-CD1 3.78Å; C188-I210 HydrophobicContact CB-CG1 4.41Å; C188-I210 VanDerWaalsContact SG-CD1 3.59Å
189T87.2Confident69.6Low0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.2153.9177.9-166.30000111.3A163 L165 L168 I210 V211 V212A163-T189 VanDerWaalsContact O-CA 3.26Å; A163-T189 WeakPolarHBondContact O-CA 3.14Å; A163-T189 VanDerWaalsContact O-CB 3.31Å; A163-T189 WeakPolarHBondContact O-CB 3.31Å; A163-T189 PolarHBondContact O-OG1 3.37Å; L165-T189 WeakPolarHBondContact CA-OG1 3.38Å; L165-T189 HydrophobicContact CD1-CG2 4.3Å; L165-T189 PolarHBondContact N-OG1 3.31Å; L165-T189 VanDerWaalsContact N-OG1 3.11Å; L168-T189 HydrophobicContact CD1-CG2 4.37Å; L168-T189 WeakPolarHBondContact CD1-OG1 3.32Å; T189-I210 PolarHBondContact N-O 2.78Å; T189-V211 HydrophobicContact CG2-CB 4.26Å; T189-V211 HydrophobicContact CG2-CG1 4.37Å; T189-V211 HydrophobicContact CG2-CG2 3.76Å; T189-V211 CarbonylContact O-C 3.57Å; T189-V211 WeakPolarHBondContact O-CA 3.22Å; T189-V212 WeakPolarHBondContact O-CG2 3.4Å; T189-V212 PolarHBondContact O-N 3Å
190S80.8Confident69.5Low19 Ų1936.3 Ų36.313%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-128.8152.3172.679.40000108.9F117 L123 L165 V212F117-S190 WeakPolarHBondContact CE1-OG 3.15Å; F117-S190 WeakPolarHBondContact CZ-OG 3.11Å; L123-S190 VanDerWaalsContact CD2-CB 3.4Å; L123-S190 WeakPolarHBondContact CD2-OG 3.38Å; L165-S190 PolarHBondContact N-O 2.9Å; S190-V212 WeakPolarHBondContact CA-O 3.09Å
191S64.6Low69.4Low17 Ų1735 Ų3512%0.11919%0.191CC..  trans-159.4151.5-169.5169.80000108.8L165 S195 A196L165-S191 WeakPolarHBondContact CD2-OG 3.23Å; S191-S195 WeakPolarHBondContact OG-CA 3.48Å; S191-S195 WeakPolarHBondContact OG-CB 3.3Å; S191-S195 PolarHBondContact OG-OG 3.13Å; S191-A196 WeakPolarHBondContact OG-CA 3.37Å; S191-A196 PolarHBondContact OG-N 3.42Å
192N61.8Low68.9Low39 Ų3935.5 Ų35.521%0.20920%0.195CC..  trans-69.4151.2160.561.746.2000108.4Q194 S195 A196 H316N192-Q194 PolarHBondContact O-N 3.48Å; N192-Q194 PolarHBondContact OD1-N 3.03Å; N192-S195 PolarHBondContact N-OG 2.82Å; N192-S195 PolarHBondContact O-N 3.03Å; N192-S195 PolarHBondContact O-OG 2.87Å; N192-S195 WeakPolarHBondContact OD1-CB 3.37Å; N192-S195 PolarHBondContact OD1-N 2.81Å; N192-S195 PolarHBondContact OD1-OG 3.36Å; N192-A196 PolarHBondContact O-N 3.47Å; N192-H316 HydrophobicContact CB-CB 4.28Å
193Y54Low68.5Low23 Ų2330.5 Ų30.59%0.0917%0.168CC..Hα-helixtrans-48.3-36-175.7178.5-83000113.3A196 L305 S306 P307Y193-A196 PolarHBondContact O-N 2.93Å; Y193-L305 HydrophobicContact CD2-CB 3.72Å; Y193-L305 HydrophobicContact CD2-CD1 4.42Å; Y193-L305 HydrophobicContact CE2-CB 3.4Å; Y193-L305 VanDerWaalsContact CE2-CB 3.4Å; Y193-L305 WeakPolarHBondContact CE2-O 3.48Å; Y193-L305 PolarHBondContact OH-O 3.02Å; Y193-S306 WeakPolarHBondContact OH-CA 3.17Å; Y193-P307 HydrophobicContact CD1-CB 4.42Å; Y193-P307 HydrophobicContact CE1-CB 3.67Å; Y193-P307 HydrophobicContact CE1-CG 3.77Å; Y193-P307 VanDerWaalsContact CE1-N 3.26Å; Y193-P307 VanDerWaalsContact CZ-N 3.26Å; Y193-P307 WeakPolarHBondContact OH-CD 3.29Å; Y193-P307 VanDerWaalsContact OH-N 3.09Å
194Q52Low67.6Low68 Ų6833.2 Ų33.232%0.31817%0.173SC..Hα-helixtrans-69.3-33-179.6-62.5179.9-3.300113.4N192 P311N192-Q194 PolarHBondContact O-N 3.48Å; N192-Q194 PolarHBondContact OD1-N 3.03Å; Q194-P311 PolarHBondContact NE2-O 2.9Å; Q194-P311 VanDerWaalsContact NE2-O 3.1Å
195S54.9Low66.6Low7 Ų738.7 Ų38.75%0.04920%0.202CC..Hα-helixtrans-81.9-23.9178.253.70000112.9L165 E166 S191 N192 Q197 K198L165-S195 WeakPolarHBondContact CD2-O 3.25Å; E166-S195 WeakPolarHBondContact OE1-CB 3.44Å; E166-S195 PolarHBondContact OE1-OG 3.3Å; S191-S195 WeakPolarHBondContact OG-CA 3.48Å; S191-S195 WeakPolarHBondContact OG-CB 3.3Å; S191-S195 PolarHBondContact OG-OG 3.13Å; N192-S195 PolarHBondContact N-OG 2.82Å; N192-S195 PolarHBondContact O-N 3.03Å; N192-S195 PolarHBondContact O-OG 2.87Å; N192-S195 WeakPolarHBondContact OD1-CB 3.37Å; N192-S195 PolarHBondContact OD1-N 2.81Å; N192-S195 PolarHBondContact OD1-OG 3.36Å; S195-Q197 PolarHBondContact O-N 3.06Å; S195-Q197 VanDerWaalsContact O-N 3.1Å; S195-K198 WeakPolarHBondContact O-CA 3.49Å; S195-K198 VanDerWaalsContact O-CB 3.26Å; S195-K198 WeakPolarHBondContact O-CB 3.48Å; S195-K198 PolarHBondContact O-N 2.82Å
196A52.6Low65.8Low4 Ų437.4 Ų37.43%0.03319%0.193CC..Hα-helixtrans-59.6-29.4-178.500000112.6L165 S191 N192 Y193 K198 V199 V211 F213L165-A196 VanDerWaalsContact CD2-CA 3.47Å; S191-A196 WeakPolarHBondContact OG-CA 3.37Å; S191-A196 PolarHBondContact OG-N 3.42Å; N192-A196 PolarHBondContact O-N 3.47Å; Y193-A196 PolarHBondContact O-N 2.93Å; A196-K198 PolarHBondContact O-N 3.47Å; A196-V199 WeakPolarHBondContact O-CG2 3.47Å; A196-V199 PolarHBondContact O-N 2.87Å; A196-V211 HydrophobicContact CB-CG1 4.3Å; A196-F213 HydrophobicContact CB-CE1 4.12Å; A196-F213 HydrophobicContact CB-CZ 4.18Å
197Q54.6Low64.8Low43 Ų4344.6 Ų44.620%0.20123%0.232CC..THydrogen-bonded Turntrans-74.8-8.5175.3-62.2-178.7-15.600113.8S195 K232S195-Q197 PolarHBondContact O-N 3.06Å; S195-Q197 VanDerWaalsContact O-N 3.1Å; Q197-K232 HydrophobicContact CB-CG 4.42Å; Q197-K232 PolarHBondContact NE2-O 2.8Å; Q197-K232 PolarHBondContact OE1-O 2.82Å
198K57.8Low64.3Low121 Ų12147.2 Ų47.253%0.52625%0.25SC..THydrogen-bonded Turntrans-94.88.1176.4-57.9-178.9-178.7174.80113T169 S195 A196 N200T169-K198 PolarHBondContact OG1-O 2.86Å; S195-K198 WeakPolarHBondContact O-CA 3.49Å; S195-K198 VanDerWaalsContact O-CB 3.26Å; S195-K198 WeakPolarHBondContact O-CB 3.48Å; S195-K198 PolarHBondContact O-N 2.82Å; A196-K198 PolarHBondContact O-N 3.47Å; K198-N200 PolarHBondContact O-N 3.43Å
199V59.5Low63.8Low1 Ų147.9 Ų47.91%0.00625%0.254CS..  trans-63.9107172.4-178.90000109.1L165 A196 L203 R204 V211 I228L165-V199 HydrophobicContact CD1-CB 4.26Å; L165-V199 HydrophobicContact CD1-CG2 3.4Å; L165-V199 VanDerWaalsContact CD1-CG2 3.4Å; L165-V199 HydrophobicContact CD2-CG2 3.65Å; L165-V199 HydrophobicContact CG-CG2 4.18Å; A196-V199 WeakPolarHBondContact O-CG2 3.47Å; A196-V199 PolarHBondContact O-N 2.87Å; V199-L203 HydrophobicContact CG1-CB 3.48Å; V199-L203 VanDerWaalsContact CG1-CB 3.48Å; V199-L203 HydrophobicContact CG1-CD1 3.67Å; V199-L203 HydrophobicContact CG1-CG 4.21Å; V199-R204 HydrophobicContact CG1-CG 4.4Å; V199-R204 PolarHBondContact O-NE 2.83Å; V199-R204 PolarHBondContact O-NH2 2.97Å; V199-V211 HydrophobicContact CG2-CG2 4.38Å; V199-I228 HydrophobicContact CB-CG2 3.62Å; V199-I228 HydrophobicContact CG1-CD1 3.88Å; V199-I228 HydrophobicContact CG1-CG2 3.73Å; V199-I228 HydrophobicContact CG2-CD1 4.46Å; V199-I228 HydrophobicContact CG2-CG2 3.93Å
200N58.5Low63.6Low61 Ų6149 Ų4933%0.32626%0.26SS..  trans-78.9173.6178.8-74.6-22.6000112.1D172 K198 V202 L203D172-N200 HydrophobicContact CB-CB 4.35Å; D172-N200 WeakPolarHBondContact OD2-CB 3.45Å; K198-N200 PolarHBondContact O-N 3.43Å; N200-V202 VanDerWaalsContact C-N 3.33Å; N200-V202 PolarHBondContact O-N 3.35Å; N200-L203 PolarHBondContact O-N 2.63Å
201S60.5Low63.9Low73 Ų7348.3 Ų48.351%0.5126%0.255SS..Hα-helixtrans-52.5-38.4-16839.20000115.2D172 L203 R204 D205D172-S201 PolarHBondContact OD2-N 2.92Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.42Å; S201-R204 WeakPolarHBondContact O-CB 3.22Å; S201-R204 PolarHBondContact O-N 3.03Å; S201-D205 PolarHBondContact O-N 2.83Å; S201-D205 VanDerWaalsContact O-N 3.1Å
202V59.6Low65Low34 Ų3447.5 Ų47.521%0.20625%0.249CC..Hα-helixtrans-65.9-32-172.3168.40000112.6D172 L181 N200D172-V202 HydrophobicContact CB-CB 4.26Å; D172-V202 HydrophobicContact CB-CG2 4.44Å; D172-V202 VanDerWaalsContact CG-CG2 3.47Å; D172-V202 WeakPolarHBondContact OD1-CG2 3.49Å; D172-V202 PolarHBondContact OD2-N 3.01Å; D172-V202 VanDerWaalsContact OD2-N 3.12Å; L181-V202 HydrophobicContact CD1-CG1 3.74Å; N200-V202 VanDerWaalsContact C-N 3.33Å; N200-V202 PolarHBondContact O-N 3.35Å
203L65.2Low66.2Low10 Ų1045.8 Ų45.85%0.05224%0.24CC..Hα-helixtrans-76.3-27.1175.2-74.9-176.3000112.8L165 L168 V187 V199 N200 S201 T209L165-L203 HydrophobicContact CD1-CD1 3.81Å; L168-L203 HydrophobicContact CB-CD1 3.62Å; L168-L203 HydrophobicContact CB-CD2 4.22Å; L168-L203 HydrophobicContact CB-CG 4.26Å; L168-L203 HydrophobicContact CD1-CD1 3.8Å; L168-L203 HydrophobicContact CD1-CD2 3.94Å; L168-L203 HydrophobicContact CD2-CD2 4.41Å; L168-L203 HydrophobicContact CG-CD1 4.32Å; L168-L203 HydrophobicContact CG-CD2 4.42Å; V187-L203 HydrophobicContact CG1-CD2 3.96Å; V199-L203 HydrophobicContact CG1-CB 3.48Å; V199-L203 VanDerWaalsContact CG1-CB 3.48Å; V199-L203 HydrophobicContact CG1-CD1 3.67Å; V199-L203 HydrophobicContact CG1-CG 4.21Å; N200-L203 PolarHBondContact O-N 2.63Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-L203 PolarHBondContact O-N 3.42Å; L203-T209 HydrophobicContact CB-CG2 4.19Å; L203-T209 HydrophobicContact CD2-CG2 4.27Å; L203-T209 VanDerWaalsContact O-CB 3.24Å; L203-T209 WeakPolarHBondContact O-CB 3.49Å; L203-T209 PolarHBondContact O-OG1 3.31Å
204R64.8Low67.6Low86 Ų8647 Ų4733%0.32525%0.252SS..Hα-helixtrans-75.8-29.2179.1-60.7179.3-176.3-163.9-10.1112.1V199 S201 L206 I228 P229 K230V199-R204 HydrophobicContact CG1-CG 4.4Å; V199-R204 PolarHBondContact O-NE 2.83Å; V199-R204 PolarHBondContact O-NH2 2.97Å; S201-R204 WeakPolarHBondContact O-CB 3.22Å; S201-R204 PolarHBondContact O-N 3.03Å; R204-L206 VanDerWaalsContact C-N 3.28Å; R204-I228 HydrophobicContact CG-CG2 4.38Å; R204-P229 PolarHBondContact NH2-O 2.97Å; R204-K230 VanDerWaalsContact NH1-CA 3.26Å; R204-K230 PolarHBondContact NH1-O 3.47Å; R204-K230 PolarHBondContact NH2-O 3.16Å
205D63Low69.2Low126 Ų12644.9 Ų44.967%0.67424%0.242SC*.SBendtrans-79.5-12.5179.1-63.1-21.3000112.8S201 D207S201-D205 PolarHBondContact O-N 2.83Å; S201-D205 VanDerWaalsContact O-N 3.1Å; D205-D207 PolarHBondContact O-N 3.32Å
206L68.6Low70.6Confident37 Ų3745.7 Ų45.719%0.19425%0.248CC..SBendtrans-87.5102.9168.4-67.3177.5000108.8L181 V187 R204 S208 T209L181-L206 HydrophobicContact CB-CD1 4.47Å; L181-L206 HydrophobicContact CB-CD2 4.23Å; L181-L206 HydrophobicContact CD1-CD1 3.96Å; V187-L206 HydrophobicContact CG2-CD1 3.62Å; R204-L206 VanDerWaalsContact C-N 3.28Å; L206-S208 PolarHBondContact O-N 2.84Å; L206-T209 WeakPolarHBondContact CB-OG1 3.36Å; L206-T209 PolarHBondContact O-N 2.9Å; L206-T209 PolarHBondContact O-OG1 2.95Å
207D63.7Low72.3Confident166 Ų16647 Ų4789%0.88825%0.254SS*.THydrogen-bonded Turntrans-52.3-11.2-179.5-71.5-29.3000114.9D205D205-D207 PolarHBondContact O-N 3.32Å
208S76.9Confident74Confident56 Ų5645.1 Ų45.139%0.39225%0.245SC..THydrogen-bonded Turntrans-121.128.8-176.9-56.40000113.2T185 M186 V187 L206T185-S208 WeakPolarHBondContact O-CB 3.25Å; T185-S208 PolarHBondContact O-OG 3.05Å; M186-S208 WeakPolarHBondContact CA-O 3.46Å; V187-S208 PolarHBondContact N-O 3.3Å; L206-S208 PolarHBondContact O-N 2.84Å
209T79.5Confident75.4Confident15 Ų1539.4 Ų39.49%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-86.7128.7168.8-560000110.9V187 L203 L206 I228V187-T209 HydrophobicContact CB-CG2 3.97Å; V187-T209 HydrophobicContact CG1-CG2 4.11Å; V187-T209 CarbonylContact O-C 3.53Å; V187-T209 WeakPolarHBondContact O-CA 3.37Å; L203-T209 HydrophobicContact CB-CG2 4.19Å; L203-T209 HydrophobicContact CD2-CG2 4.27Å; L203-T209 VanDerWaalsContact O-CB 3.24Å; L203-T209 WeakPolarHBondContact O-CB 3.49Å; L203-T209 PolarHBondContact O-OG1 3.31Å; L206-T209 WeakPolarHBondContact CB-OG1 3.36Å; L206-T209 PolarHBondContact O-N 2.9Å; L206-T209 PolarHBondContact O-OG1 2.95Å; T209-I228 HydrophobicContact CG2-CD1 3.61Å
210I83.5Confident76.9Confident24 Ų2439.4 Ų39.412%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-128.2141.1175.554.899.8000110.7V103 V187 C188 T189 V212 V224V103-I210 HydrophobicContact CB-CD1 4.34Å; V103-I210 HydrophobicContact CB-CG1 4.36Å; V103-I210 HydrophobicContact CG1-CD1 3.73Å; V103-I210 HydrophobicContact CG1-CG1 3.72Å; V103-I210 HydrophobicContact CG2-CB 4.2Å; V103-I210 HydrophobicContact CG2-CD1 3.76Å; V103-I210 HydrophobicContact CG2-CG1 3.65Å; V103-I210 HydrophobicContact CG2-CG2 3.96Å; V187-I210 PolarHBondContact O-N 2.71Å; C188-I210 HydrophobicContact CB-CD1 3.78Å; C188-I210 HydrophobicContact CB-CG1 4.41Å; C188-I210 VanDerWaalsContact SG-CD1 3.59Å; T189-I210 PolarHBondContact N-O 2.78Å; I210-V212 HydrophobicContact CD1-CG1 3.55Å; I210-V224 HydrophobicContact CB-CG1 4.3Å; I210-V224 HydrophobicContact CD1-CG1 4.34Å
211V85.6Confident78.4Confident3 Ų336.5 Ų36.52%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-103.7118.6173.7-173.60000108T189 A196 V199 F213 S225 I228T189-V211 HydrophobicContact CG2-CB 4.26Å; T189-V211 HydrophobicContact CG2-CG1 4.37Å; T189-V211 HydrophobicContact CG2-CG2 3.76Å; T189-V211 CarbonylContact O-C 3.57Å; T189-V211 WeakPolarHBondContact O-CA 3.22Å; A196-V211 HydrophobicContact CB-CG1 4.3Å; V199-V211 HydrophobicContact CG2-CG2 4.38Å; V211-F213 HydrophobicContact CB-CE2 4.39Å; V211-F213 HydrophobicContact CB-CZ 4.49Å; V211-F213 HydrophobicContact CG1-CE1 4.32Å; V211-F213 HydrophobicContact CG1-CE2 4.04Å; V211-F213 HydrophobicContact CG1-CZ 3.82Å; V211-S225 PolarHBondContact N-OG 3.38Å; V211-S225 WeakPolarHBondContact O-CB 3.47Å; V211-S225 PolarHBondContact O-N 2.77Å; V211-S225 PolarHBondContact O-OG 3.33Å; V211-I228 HydrophobicContact CG2-CD1 3.95Å; V211-I228 HydrophobicContact CG2-CG1 4.04Å
212V88.4Confident79.8Confident0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-98.3141.7173.6-57.10000110.2L123 T189 S190 I210 W221 V224L123-V212 HydrophobicContact CD1-CG2 4.42Å; L123-V212 HydrophobicContact CD2-CG2 4.46Å; T189-V212 WeakPolarHBondContact O-CG2 3.4Å; T189-V212 PolarHBondContact O-N 3Å; S190-V212 WeakPolarHBondContact CA-O 3.09Å; I210-V212 HydrophobicContact CD1-CG1 3.55Å; V212-W221 HydrophobicContact CB-CB 3.78Å; V212-W221 HydrophobicContact CB-CD2 3.98Å; V212-W221 HydrophobicContact CB-CE3 4.47Å; V212-W221 HydrophobicContact CB-CG 3.72Å; V212-W221 HydrophobicContact CG1-CB 4.46Å; V212-W221 HydrophobicContact CG1-CD2 3.88Å; V212-W221 HydrophobicContact CG1-CG 3.88Å; V212-W221 HydrophobicContact CG1-CZ2 4.14Å; V212-W221 HydrophobicContact CG2-CB 4.31Å; V212-W221 HydrophobicContact CG2-CD2 4.2Å; V212-W221 HydrophobicContact CG2-CE3 4.19Å; V212-W221 HydrophobicContact CG2-CG 4.33Å; V212-V224 HydrophobicContact CG1-CG1 4.28Å; V212-V224 HydrophobicContact CG1-CG2 4.34Å
213F87.2Confident81.2Confident3 Ų331.4 Ų31.41%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-111.1112.3175.8-57.8-92.1000108.2A196 V211 P222 F223 T236 V238 M292 L305A196-F213 HydrophobicContact CB-CE1 4.12Å; A196-F213 HydrophobicContact CB-CZ 4.18Å; V211-F213 HydrophobicContact CB-CE2 4.39Å; V211-F213 HydrophobicContact CB-CZ 4.49Å; V211-F213 HydrophobicContact CG1-CE1 4.32Å; V211-F213 HydrophobicContact CG1-CE2 4.04Å; V211-F213 HydrophobicContact CG1-CZ 3.82Å; F213-P222 WeakPolarHBondContact O-CD 3.44Å; F213-F223 HydrophobicContact CB-CB 4.15Å; F213-F223 HydrophobicContact CB-CD2 4.38Å; F213-F223 HydrophobicContact CD2-CB 4.24Å; F213-F223 PolarHBondContact N-O 2.96Å; F213-T236 HydrophobicContact CE2-CG2 4.19Å; F213-T236 HydrophobicContact CZ-CG2 3.99Å; F213-V238 HydrophobicContact CD2-CG1 3.88Å; F213-V238 HydrophobicContact CE2-CG1 3.54Å; F213-V238 HydrophobicContact CZ-CG1 4.44Å; F213-M292 HydrophobicContact CB-SD 4.3Å; F213-L305 HydrophobicContact CD1-CD1 3.81Å; F213-L305 HydrophobicContact CD2-CD1 3.76Å; F213-L305 HydrophobicContact CE1-CD1 3.89Å; F213-L305 HydrophobicContact CE2-CD1 3.86Å; F213-L305 HydrophobicContact CG-CD1 3.74Å; F213-L305 HydrophobicContact CZ-CD1 3.92Å
214S83.2Confident82.4Confident49 Ų4931.6 Ų31.634%0.34317%0.172SC..  trans-121.6161.2-177.562.70000111.4
215M85.8Confident83.4Confident23 Ų2327.8 Ų27.811%0.11316%0.159CC..  trans-132.5151.3171.563.4-168.1-6300109.4E217 C218 V266 I288 T290M215-E217 HydrophobicContact CE-CB 3.94Å; M215-E217 HydrophobicContact CE-CG 4.23Å; M215-E217 WeakPolarHBondContact CE-OE2 3.21Å; M215-E217 HydrophobicContact CG-CB 4.36Å; M215-E217 PolarHBondContact O-N 3.16Å; M215-C218 HydrophobicContact CG-CB 3.59Å; M215-C218 CarbonylContact O-C 3.55Å; M215-C218 PolarHBondContact O-N 3.04Å; M215-C218 HydrophobicContact SD-CB 4.5Å; M215-V266 HydrophobicContact SD-CG1 4.04Å; M215-I288 HydrophobicContact CE-CG2 3.47Å; M215-I288 VanDerWaalsContact CE-CG2 3.47Å; M215-I288 HydrophobicContact SD-CG2 4.29Å; M215-T290 HydrophobicContact SD-CG2 4.14Å
216S83.7Confident84.3Confident25 Ų2526.2 Ų26.218%0.17515%0.15CC..THydrogen-bonded Turntrans-62.7-29.5-174.3-46.60000112.8D73 I84 F86 C218D73-S216 WeakPolarHBondContact OD2-CB 3.46Å; D73-S216 PolarHBondContact OD2-OG 2.85Å; I84-S216 WeakPolarHBondContact CD1-O 3.23Å; F86-S216 WeakPolarHBondContact CZ-O 3.19Å; S216-C218 PolarHBondContact O-N 2.78Å
217E88.5Confident84.7Confident32 Ų3230.4 Ų30.415%0.1517%0.168CC..THydrogen-bonded Turntrans-70.2-6.9174.5-62.976.5-170.800113.6M215 A272 Y275 L281M215-E217 HydrophobicContact CE-CB 3.94Å; M215-E217 HydrophobicContact CE-CG 4.23Å; M215-E217 WeakPolarHBondContact CE-OE2 3.21Å; M215-E217 HydrophobicContact CG-CB 4.36Å; M215-E217 PolarHBondContact O-N 3.16Å; E217-A272 PolarHBondContact O-N 2.86Å; E217-Y275 PolarHBondContact OE1-OH 2.82Å; E217-L281 HydrophobicContact CB-CD1 4.09Å; E217-L281 HydrophobicContact CG-CD1 3.67Å; E217-L281 HydrophobicContact CG-CD2 3.47Å; E217-L281 VanDerWaalsContact CG-CD2 3.47Å; E217-L281 HydrophobicContact CG-CG 4.15Å
218C90.3Very high85.2Confident2 Ų223.7 Ų23.71%0.01413%0.132CC..BIsolated β-bridgetrans-125.3116.6-179179.50000109.2M215 S216 S220 F244M215-C218 HydrophobicContact CG-CB 3.59Å; M215-C218 CarbonylContact O-C 3.55Å; M215-C218 PolarHBondContact O-N 3.04Å; M215-C218 HydrophobicContact SD-CB 4.5Å; S216-C218 PolarHBondContact O-N 2.78Å; C218-S220 PolarHBondContact O-N 3.09Å; C218-S220 PolarHBondContact SG-O 2.83Å; C218-S220 VanDerWaalsContact SG-O 3.32Å; C218-F244 WeakPolarHBondContact SG-CZ 3.39Å
219L87.5Confident84.9Confident1 Ų121.7 Ų21.71%0.00512%0.118CC..SBendtrans-77.341.4175.5-165.364.3000110.9L69 F86 V91 A94 A122 L126 A270L69-L219 HydrophobicContact CD2-CD2 4.25Å; F86-L219 HydrophobicContact CB-CD2 4.2Å; F86-L219 HydrophobicContact CD1-CB 3.75Å; F86-L219 HydrophobicContact CD1-CD2 4.37Å; F86-L219 HydrophobicContact CD2-CB 4.34Å; F86-L219 HydrophobicContact CD2-CD1 4.35Å; F86-L219 HydrophobicContact CD2-CD2 4.34Å; F86-L219 HydrophobicContact CE1-CB 3.58Å; F86-L219 HydrophobicContact CE2-CB 4.17Å; F86-L219 HydrophobicContact CE2-CD1 4.26Å; F86-L219 HydrophobicContact CG-CB 4.13Å; F86-L219 HydrophobicContact CG-CD2 4.05Å; F86-L219 HydrophobicContact CZ-CB 3.79Å; V91-L219 HydrophobicContact CB-CD2 4.2Å; V91-L219 HydrophobicContact CG2-CD2 3.6Å; A94-L219 WeakPolarHBondContact CB-O 3.22Å; A122-L219 HydrophobicContact CB-CD1 3.76Å; A122-L219 WeakPolarHBondContact O-CD1 2.95Å; L126-L219 WeakPolarHBondContact CD2-O 3.35Å; L219-A270 PolarHBondContact N-O 3.1Å
220S90.1Very high84.3Confident2 Ų228.9 Ų28.91%0.01415%0.148CC..SBendtrans-169.9-174.6178.4-169.60000109.2C218C218-S220 PolarHBondContact O-N 3.09Å; C218-S220 PolarHBondContact SG-O 2.83Å; C218-S220 VanDerWaalsContact SG-O 3.32Å
221W89.7Confident83.5Confident0 Ų032.5 Ų32.50%017%0.167CC..  trans-112115.9173.244.783.9000110.4L98 F104 L123 L126 L127 V212 F223 V224 A241L98-W221 HydrophobicContact CD1-CH2 3Å; L98-W221 HydrophobicContact CD1-CZ2 2.91Å; L98-W221 HydrophobicContact CD1-CZ3 3.96Å; L98-W221 HydrophobicContact CD2-CH2 3.87Å; L98-W221 HydrophobicContact CD2-CZ3 4.26Å; L98-W221 HydrophobicContact CG-CH2 4.11Å; L98-W221 HydrophobicContact CG-CZ2 4.3Å; F104-W221 HydrophobicContact CD2-CZ2 4.26Å; F104-W221 AromaticContact CE2-CH2 3.82Å; F104-W221 HydrophobicContact CE2-CH2 3.82Å; F104-W221 AromaticContact CE2-CZ2 3.72Å; F104-W221 HydrophobicContact CE2-CZ2 3.72Å; L123-W221 HydrophobicContact CD1-CE3 3.31Å; L123-W221 HydrophobicContact CD1-CZ3 3.3Å; L126-W221 HydrophobicContact CD2-CE3 4.14Å; L126-W221 HydrophobicContact CD2-CZ3 3.97Å; L127-W221 HydrophobicContact CD2-CH2 3.58Å; L127-W221 HydrophobicContact CD2-CZ3 3.8Å; L127-W221 HydrophobicContact CG-CZ3 4.28Å; V212-W221 HydrophobicContact CB-CB 3.78Å; V212-W221 HydrophobicContact CB-CD2 3.98Å; V212-W221 HydrophobicContact CB-CE3 4.47Å; V212-W221 HydrophobicContact CB-CG 3.72Å; V212-W221 HydrophobicContact CG1-CB 4.46Å; V212-W221 HydrophobicContact CG1-CD2 3.88Å; V212-W221 HydrophobicContact CG1-CG 3.88Å; V212-W221 HydrophobicContact CG1-CZ2 4.14Å; V212-W221 HydrophobicContact CG2-CB 4.31Å; V212-W221 HydrophobicContact CG2-CD2 4.2Å; V212-W221 HydrophobicContact CG2-CE3 4.19Å; V212-W221 HydrophobicContact CG2-CG 4.33Å; W221-F223 PolarHBondContact O-N 3.15Å; W221-V224 HydrophobicContact CG-CG2 4.46Å; W221-A241 WeakPolarHBondContact O-CB 3.32Å
222P90.2Very high82.4Confident0 Ų039.2 Ų39.20%020%0.196CC..SBendtrans-66.5-23.1174.823.9-34.4000113.7F213 V240 A241 F244 V266F213-P222 WeakPolarHBondContact O-CD 3.44Å; P222-V240 CarbonylContact O-C 3.58Å; P222-V240 WeakPolarHBondContact O-CA 3.33Å; P222-A241 PolarHBondContact O-N 3.45Å; P222-F244 HydrophobicContact CB-CD1 4.09Å; P222-F244 HydrophobicContact CB-CD2 4.47Å; P222-F244 HydrophobicContact CB-CE1 4.21Å; P222-F244 HydrophobicContact CB-CG 4.21Å; P222-F244 HydrophobicContact CB-CZ 4.41Å; P222-V266 HydrophobicContact CB-CB 4.25Å; P222-V266 HydrophobicContact CB-CG1 4.49Å; P222-V266 HydrophobicContact CB-CG2 3.41Å; P222-V266 VanDerWaalsContact CB-CG2 3.41Å; P222-V266 HydrophobicContact CG-CG2 4.28Å
223F90.2Very high81.1Confident0 Ų043.9 Ų43.90%024%0.235CC..EExtended strand (participates in β ladder)trans-132.8143.3-177.8-43.4-80.2000113.4F213 W221 V238 L239 V240 C246 I264 T290 M292 L303F213-F223 HydrophobicContact CB-CB 4.15Å; F213-F223 HydrophobicContact CB-CD2 4.38Å; F213-F223 HydrophobicContact CD2-CB 4.24Å; F213-F223 PolarHBondContact N-O 2.96Å; W221-F223 PolarHBondContact O-N 3.15Å; F223-V238 HydrophobicContact CB-CB 4.02Å; F223-V238 HydrophobicContact CB-CG2 3.78Å; F223-V238 HydrophobicContact CD1-CG2 4Å; F223-V238 HydrophobicContact CG-CG2 4.14Å; F223-L239 VanDerWaalsContact CA-O 3.28Å; F223-L239 WeakPolarHBondContact CA-O 3.46Å; F223-V240 HydrophobicContact CD1-CG2 4.25Å; F223-V240 HydrophobicContact CE1-CG2 4.09Å; F223-C246 HydrophobicContact CE1-CB 4.15Å; F223-I264 HydrophobicContact CE1-CG2 4.3Å; F223-I264 HydrophobicContact CE2-CG2 4.04Å; F223-I264 HydrophobicContact CZ-CG2 3.45Å; F223-I264 VanDerWaalsContact CZ-CG2 3.45Å; F223-T290 HydrophobicContact CE2-CG2 4.37Å; F223-M292 HydrophobicContact CD2-CE 3.6Å; F223-M292 HydrophobicContact CE2-CE 3.43Å; F223-M292 VanDerWaalsContact CE2-CE 3.43Å; F223-L303 HydrophobicContact CD1-CD2 3.82Å; F223-L303 HydrophobicContact CE1-CD2 3.61Å; F223-L303 HydrophobicContact CZ-CD2 4.32Å
224V88.8Confident80.3Confident13 Ų1346.7 Ų46.78%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-131.2131178.6-170.10000109.1T101 V103 I210 V212 W221 V238 L239T101-V224 HydrophobicContact CG2-CG2 4.15Å; V103-V224 HydrophobicContact CG2-CG1 4.24Å; I210-V224 HydrophobicContact CB-CG1 4.3Å; I210-V224 HydrophobicContact CD1-CG1 4.34Å; V212-V224 HydrophobicContact CG1-CG1 4.28Å; V212-V224 HydrophobicContact CG1-CG2 4.34Å; W221-V224 HydrophobicContact CG-CG2 4.46Å; V224-V238 CarbonylContact O-C 3.57Å; V224-V238 WeakPolarHBondContact O-CA 3.36Å; V224-V238 WeakPolarHBondContact O-CB 3.39Å; V224-L239 PolarHBondContact N-O 3.32Å; V224-L239 PolarHBondContact O-N 3.36Å
225S86.3Confident80.1Confident7 Ų749.1 Ų49.15%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-61.8135.6177.365.60000111.8V211 P237V211-S225 PolarHBondContact N-OG 3.38Å; V211-S225 WeakPolarHBondContact O-CB 3.47Å; V211-S225 PolarHBondContact O-N 2.77Å; V211-S225 PolarHBondContact O-OG 3.33Å; S225-P237 WeakPolarHBondContact CA-O 3.44Å
226L82.1Confident79.9Confident93 Ų9348.2 Ų48.249%0.48725%0.247SC..SBendtrans-74-40.8166.2-76.8175000111.3P237 L239 C302L226-P237 HydrophobicContact CB-CB 4.26Å; L226-P237 HydrophobicContact CB-CG 4.24Å; L226-P237 HydrophobicContact CD1-CB 4.25Å; L226-P237 PolarHBondContact N-O 2.9Å; L226-L239 HydrophobicContact CD1-CD2 4.04Å; L226-L239 HydrophobicContact CD1-CG 4.2Å; L226-L239 HydrophobicContact CD2-CD1 3.52Å; L226-L239 HydrophobicContact CD2-CD2 4.04Å; L226-L239 HydrophobicContact CD2-CG 3.5Å; L226-L239 VanDerWaalsContact CD2-CG 3.5Å; L226-L239 HydrophobicContact CG-CD1 4.4Å; L226-L239 HydrophobicContact CG-CD2 4.22Å; L226-L239 HydrophobicContact CG-CG 3.82Å; L226-C302 HydrophobicContact CD1-CB 3.61Å
227E76.8Confident80.1Confident125 Ų12547.2 Ų47.258%0.58424%0.24SC*.SBendtrans-151.2163.6177.955.3172-157.800109.9P229 P237E227-P229 WeakPolarHBondContact O-CD 3.14Å; E227-P237 HydrophobicContact CG-CG 3.43Å; E227-P237 VanDerWaalsContact CG-CG 3.43Å
228I74.2Confident80.2Confident25 Ų2545.7 Ų45.713%0.12823%0.233CC..  trans-96.9113.3175.6-56.6-175.9000107.6V199 R204 T209 V211V199-I228 HydrophobicContact CB-CG2 3.62Å; V199-I228 HydrophobicContact CG1-CD1 3.88Å; V199-I228 HydrophobicContact CG1-CG2 3.73Å; V199-I228 HydrophobicContact CG2-CD1 4.46Å; V199-I228 HydrophobicContact CG2-CG2 3.93Å; R204-I228 HydrophobicContact CG-CG2 4.38Å; T209-I228 HydrophobicContact CG2-CD1 3.61Å; V211-I228 HydrophobicContact CG2-CD1 3.95Å; V211-I228 HydrophobicContact CG2-CG1 4.04Å
229P70.3Confident80.2Confident13 Ų1348.6 Ų48.68%0.08425%0.248CC..  trans-59.4141.3-172.9-22.831.3000112.7R204 E227 D234 R235 T236R204-P229 PolarHBondContact NH2-O 2.97Å; E227-P229 WeakPolarHBondContact O-CD 3.14Å; P229-D234 HydrophobicContact CB-CB 3.69Å; P229-R235 WeakPolarHBondContact CG-O 3.46Å; P229-T236 HydrophobicContact CG-CG2 4.27Å
230K67.6Low80.4Confident166 Ų16651.3 Ų51.372%0.72227%0.265SS*.SBendtrans-72.5-42.5-175.7-73.7-176.4-177.41760112.1R204R204-K230 VanDerWaalsContact NH1-CA 3.26Å; R204-K230 PolarHBondContact NH1-O 3.47Å; R204-K230 PolarHBondContact NH2-O 3.16Å
231N67Low80.5Confident100 Ų10051.5 Ų51.554%0.53527%0.267SS..SBendtrans-103149.6178.7-48.6-64.9000111.1A233 D234N231-A233 PolarHBondContact O-N 3.06Å; N231-D234 VanDerWaalsContact CB-OD2 3.24Å; N231-D234 WeakPolarHBondContact CB-OD2 3.25Å; N231-D234 PolarHBondContact N-OD2 2.93Å; N231-D234 PolarHBondContact ND2-OD2 3.23Å; N231-D234 WeakPolarHBondContact O-CB 3.29Å; N231-D234 PolarHBondContact O-N 2.86Å; N231-D234 VanDerWaalsContact O-N 3.09Å
232K62.8Low80.4Confident145 Ų14553.7 Ų53.763%0.6328%0.281SS*.THydrogen-bonded Turntrans-63.5-22.5176.3-65.8-178.2176.8176.90113.6Q197 D234Q197-K232 HydrophobicContact CB-CG 4.42Å; Q197-K232 PolarHBondContact NE2-O 2.8Å; Q197-K232 PolarHBondContact OE1-O 2.82Å; K232-D234 VanDerWaalsContact C-N 3.31Å
233A61.2Low80.4Confident97 Ų9758.6 Ų58.680%0.80231%0.307SS*.THydrogen-bonded Turntrans-81.8-13.6178.200000112.8N231N231-A233 PolarHBondContact O-N 3.06Å
234D70.1Confident80.6Confident62 Ų6259.4 Ų59.433%0.33231%0.31SS..SBendtrans-79.3141.3-175.7-58.5-18.9000109.5P229 N231 K232P229-D234 HydrophobicContact CB-CB 3.69Å; N231-D234 VanDerWaalsContact CB-OD2 3.24Å; N231-D234 WeakPolarHBondContact CB-OD2 3.25Å; N231-D234 PolarHBondContact N-OD2 2.93Å; N231-D234 PolarHBondContact ND2-OD2 3.23Å; N231-D234 WeakPolarHBondContact O-CB 3.29Å; N231-D234 PolarHBondContact O-N 2.86Å; N231-D234 VanDerWaalsContact O-N 3.09Å; K232-D234 VanDerWaalsContact C-N 3.31Å
235R78Confident80.9Confident100 Ų10063.3 Ų63.338%0.37733%0.328SS..  trans-67.7148.8174-58.4175.3-57.3-1582.7109.2P229 P237 E295 Y304P229-R235 WeakPolarHBondContact CG-O 3.46Å; R235-P237 VanDerWaalsContact O-CD 3.3Å; R235-P237 WeakPolarHBondContact O-CD 3.39Å; R235-E295 VanDerWaalsContact CD-OE1 3.26Å; R235-E295 WeakPolarHBondContact CD-OE1 3.21Å; R235-E295 IonicContact CZ-OE1 2.71Å; R235-E295 VanDerWaalsContact CZ-OE1 3.32Å; R235-E295 IonicContact NE-OE1 3.88Å; R235-E295 IonicContact NH1-OE1 3.82Å; R235-E295 PolarHBondContact NH1-OE1 3.1Å; R235-Y304 HydrophobicContact CB-CD1 3.5Å; R235-Y304 VanDerWaalsContact CB-CD1 3.5Å; R235-Y304 HydrophobicContact CB-CE1 4.38Å; R235-Y304 HydrophobicContact CB-CG 4Å
236T81.6Confident81.3Confident4 Ų464.8 Ų64.83%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-89.9113.2175.4-54.10000109.9F213 P229 V238 L305F213-T236 HydrophobicContact CE2-CG2 4.19Å; F213-T236 HydrophobicContact CZ-CG2 3.99Å; P229-T236 HydrophobicContact CG-CG2 4.27Å; T236-V238 HydrophobicContact CG2-CG1 4.05Å; T236-L305 PolarHBondContact N-O 2.96Å; T236-L305 PolarHBondContact O-N 2.84Å
237P88.5Confident81.9Confident5 Ų562 Ų623%0.03232%0.322CS..EExtended strand (participates in β ladder)trans-73.2128.3174.330.1-32.7000109.7S225 L226 E227 R235 L303 Y304S225-P237 WeakPolarHBondContact CA-O 3.44Å; L226-P237 HydrophobicContact CB-CB 4.26Å; L226-P237 HydrophobicContact CB-CG 4.24Å; L226-P237 HydrophobicContact CD1-CB 4.25Å; L226-P237 PolarHBondContact N-O 2.9Å; E227-P237 HydrophobicContact CG-CG 3.43Å; E227-P237 VanDerWaalsContact CG-CG 3.43Å; R235-P237 VanDerWaalsContact O-CD 3.3Å; R235-P237 WeakPolarHBondContact O-CD 3.39Å; P237-L303 CarbonylContact C-O 3.56Å; P237-Y304 HydrophobicContact CB-CD1 4.12Å; P237-Y304 HydrophobicContact CB-CE1 3.71Å; P237-Y304 HydrophobicContact CG-CE1 4.37Å
238V90.1Very high82.8Confident0 Ų056.8 Ų56.80%030%0.298CS..EExtended strand (participates in β ladder)trans-131.3150.7179.1-52.80000111.3F213 F223 V224 T236 L303 L305F213-V238 HydrophobicContact CD2-CG1 3.88Å; F213-V238 HydrophobicContact CE2-CG1 3.54Å; F213-V238 HydrophobicContact CZ-CG1 4.44Å; F223-V238 HydrophobicContact CB-CB 4.02Å; F223-V238 HydrophobicContact CB-CG2 3.78Å; F223-V238 HydrophobicContact CD1-CG2 4Å; F223-V238 HydrophobicContact CG-CG2 4.14Å; V224-V238 CarbonylContact O-C 3.57Å; V224-V238 WeakPolarHBondContact O-CA 3.36Å; V224-V238 WeakPolarHBondContact O-CB 3.39Å; T236-V238 HydrophobicContact CG2-CG1 4.05Å; V238-L303 HydrophobicContact CG2-CB 3.79Å; V238-L303 HydrophobicContact CG2-CD2 3.88Å; V238-L303 HydrophobicContact CG2-CG 4.14Å; V238-L303 WeakPolarHBondContact CG2-O 3.35Å; V238-L303 PolarHBondContact N-O 3.08Å; V238-L303 PolarHBondContact O-N 3.29Å; V238-L305 HydrophobicContact CG1-CD1 3.7Å; V238-L305 HydrophobicContact CG1-CG 3.92Å; V238-L305 HydrophobicContact CG2-CD1 4.15Å; V238-L305 HydrophobicContact CG2-CD2 4.15Å; V238-L305 HydrophobicContact CG2-CG 3.8Å
239L91.5Very high83.8Confident62 Ų6255.7 Ų55.733%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-97.3148.3165.3-65.1179.8000110.3F223 V224 L226 C302F223-L239 VanDerWaalsContact CA-O 3.28Å; F223-L239 WeakPolarHBondContact CA-O 3.46Å; V224-L239 PolarHBondContact N-O 3.32Å; V224-L239 PolarHBondContact O-N 3.36Å; L226-L239 HydrophobicContact CD1-CD2 4.04Å; L226-L239 HydrophobicContact CD1-CG 4.2Å; L226-L239 HydrophobicContact CD2-CD1 3.52Å; L226-L239 HydrophobicContact CD2-CD2 4.04Å; L226-L239 HydrophobicContact CD2-CG 3.5Å; L226-L239 VanDerWaalsContact CD2-CG 3.5Å; L226-L239 HydrophobicContact CG-CD1 4.4Å; L226-L239 HydrophobicContact CG-CD2 4.22Å; L226-L239 HydrophobicContact CG-CG 3.82Å; L239-C302 HydrophobicContact CD2-CB 4.45Å
240V92.1Very high84.8Confident58 Ų5857.3 Ų57.335%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-72.9127165.4-175.90000108.1P222 F223 F244 C246P222-V240 CarbonylContact O-C 3.58Å; P222-V240 WeakPolarHBondContact O-CA 3.33Å; F223-V240 HydrophobicContact CD1-CG2 4.25Å; F223-V240 HydrophobicContact CE1-CG2 4.09Å; V240-F244 HydrophobicContact CG1-CB 3.6Å; V240-F244 WeakPolarHBondContact CG1-O 3.46Å; V240-C246 HydrophobicContact CG1-CB 4.32Å; V240-C246 HydrophobicContact CG2-CB 3.68Å
241A90.6Very high85.8Confident7 Ų754.7 Ų54.76%0.05830%0.3CS..PPolyproline II helixtrans-66.7156.4-17900000111.7W221 P222 N243 F244W221-A241 WeakPolarHBondContact O-CB 3.32Å; P222-A241 PolarHBondContact O-N 3.45Å; A241-N243 PolarHBondContact O-N 3.13Å; A241-F244 HydrophobicContact CB-CD2 3.78Å; A241-F244 HydrophobicContact CB-CE2 4.2Å; A241-F244 WeakPolarHBondContact O-CB 3.4Å; A241-F244 PolarHBondContact O-N 3.45Å; A241-F244 VanDerWaalsContact O-N 3.13Å
242P88.5Confident87Confident45 Ų4557.3 Ų57.329%0.29231%0.309SS..THydrogen-bonded Turntrans-51.8140.6-179.8-27.135000112.7M97 D100 F244M97-P242 WeakPolarHBondContact CE-O 3.27Å; D100-P242 HydrophobicContact CB-CG 4.39Å; P242-F244 PolarHBondContact O-N 2.92Å
243N90.9Very high88.1Confident103 Ų10357 Ų5755%0.55131%0.31SS*.THydrogen-bonded Turntrans63.212.5-179.9-52.7-8.9000115.2M97 A241 P269M97-N243 HydrophobicContact CE-CB 4.21Å; M97-N243 HydrophobicContact CG-CB 4.08Å; M97-N243 HydrophobicContact SD-CB 4.2Å; A241-N243 PolarHBondContact O-N 3.13Å; N243-P269 HydrophobicContact CB-CG 4.14Å; N243-P269 WeakPolarHBondContact O-CD 3.15Å
244F93.1Very high89.7Confident17 Ų1756.6 Ų56.68%0.07530%0.297CS..  trans-97.8146.3163-73.4-80.5000111.4M97 C218 P222 V240 A241 P242 V266 R267 A270M97-F244 HydrophobicContact CE-CD2 3.36Å; M97-F244 HydrophobicContact CE-CE1 4.33Å; M97-F244 HydrophobicContact CE-CE2 3Å; M97-F244 HydrophobicContact CE-CG 4.21Å; M97-F244 HydrophobicContact CE-CZ 3.54Å; C218-F244 WeakPolarHBondContact SG-CZ 3.39Å; P222-F244 HydrophobicContact CB-CD1 4.09Å; P222-F244 HydrophobicContact CB-CD2 4.47Å; P222-F244 HydrophobicContact CB-CE1 4.21Å; P222-F244 HydrophobicContact CB-CG 4.21Å; P222-F244 HydrophobicContact CB-CZ 4.41Å; V240-F244 HydrophobicContact CG1-CB 3.6Å; V240-F244 WeakPolarHBondContact CG1-O 3.46Å; A241-F244 HydrophobicContact CB-CD2 3.78Å; A241-F244 HydrophobicContact CB-CE2 4.2Å; A241-F244 WeakPolarHBondContact O-CB 3.4Å; A241-F244 PolarHBondContact O-N 3.45Å; A241-F244 VanDerWaalsContact O-N 3.13Å; P242-F244 PolarHBondContact O-N 2.92Å; F244-V266 HydrophobicContact CB-CG2 4.22Å; F244-V266 HydrophobicContact CD1-CG2 3.46Å; F244-V266 VanDerWaalsContact CD1-CG2 3.46Å; F244-V266 HydrophobicContact CE1-CG2 4.14Å; F244-V266 HydrophobicContact CG-CG2 4.16Å; F244-R267 WeakPolarHBondContact CA-O 3.32Å; F244-A270 HydrophobicContact CZ-CB 4.03Å
245E94.7Very high90.8Very high95 Ų9559.9 Ų59.944%0.44431%0.31SS..EExtended strand (participates in β ladder)trans-110.4142.8165.5-63.5170.6-90.600108.3V266 R267 W287E245-V266 WeakPolarHBondContact O-CA 3.29Å; E245-V266 WeakPolarHBondContact O-CG2 3.5Å; E245-R267 PolarHBondContact N-O 3.22Å; E245-R267 PolarHBondContact O-N 2.86Å; E245-R267 IonicContact OE1-CZ 3.32Å; E245-R267 VanDerWaalsContact OE1-CZ 3.23Å; E245-R267 IonicContact OE1-NE 3.47Å; E245-R267 PolarHBondContact OE1-NE 2.74Å; E245-R267 IonicContact OE1-NH2 2.57Å; E245-R267 PolarHBondContact OE1-NH2 3.21Å; E245-R267 IonicContact OE2-CZ 3.49Å; E245-R267 IonicContact OE2-NH2 3.5Å; E245-R267 PolarHBondContact OE2-NH2 3.35Å; E245-W287 HydrophobicContact CB-CH2 3.7Å; E245-W287 HydrophobicContact CB-CZ3 4.08Å; E245-W287 WeakPolarHBondContact O-CZ3 3.18Å
246C94.8Very high91.4Very high39 Ų3956.3 Ų56.326%0.26430%0.3SS..EExtended strand (participates in β ladder)trans-126.9136.1178.3178.60000108.8F223 V240 Y265F223-C246 HydrophobicContact CE1-CB 4.15Å; V240-C246 HydrophobicContact CG1-CB 4.32Å; V240-C246 HydrophobicContact CG2-CB 3.68Å; C246-Y265 WeakPolarHBondContact CA-O 3.15Å
247K94.7Very high91.8Very high35 Ų3563.9 Ų63.915%0.15234%0.335CS..EExtended strand (participates in β ladder)trans-128.9155.9166.271.5175.8-177.3-175.30109.8T249 E255 Y265 D283 W287K247-T249 HydrophobicContact CD-CG2 4.43Å; K247-E255 HydrophobicContact CB-CG 4.45Å; K247-Y265 HydrophobicContact CG-CG 4.39Å; K247-Y265 PolarHBondContact N-O 2.93Å; K247-Y265 PolarHBondContact O-N 2.82Å; K247-D283 IonicContact NZ-OD2 2.83Å; K247-W287 HydrophobicContact CB-CH2 4.02Å; K247-W287 HydrophobicContact CB-CZ2 4.45Å; K247-W287 HydrophobicContact CB-CZ3 4.13Å; K247-W287 HydrophobicContact CD-CD2 3.8Å; K247-W287 HydrophobicContact CD-CE3 4.1Å; K247-W287 HydrophobicContact CD-CG 4.21Å; K247-W287 HydrophobicContact CD-CH2 4.3Å; K247-W287 HydrophobicContact CD-CZ2 4.03Å; K247-W287 HydrophobicContact CD-CZ3 4.34Å; K247-W287 HydrophobicContact CG-CD2 4.1Å; K247-W287 HydrophobicContact CG-CE3 3.86Å; K247-W287 HydrophobicContact CG-CH2 4.05Å; K247-W287 HydrophobicContact CG-CZ2 4.3Å; K247-W287 HydrophobicContact CG-CZ3 3.83Å; K247-W287 VanDerWaalsContact NZ-CD1 3.29Å
248I95.6Very high91.9Very high14 Ų1464.8 Ų64.87%0.07234%0.343CS..EExtended strand (participates in β ladder)trans-120.4133.3178.6-54.9176.6000107.1E255 C256 G262 D263 I264 G294 H296 L303I248-E255 CarbonylContact O-C 3.6Å; I248-E255 WeakPolarHBondContact O-CA 3.46Å; I248-C256 HydrophobicContact CB-CB 4.21Å; I248-C256 HydrophobicContact CG2-CB 4.06Å; I248-C256 PolarHBondContact O-N 2.81Å; I248-G262 VanDerWaalsContact CG2-CA 3.43Å; I248-D263 CarbonylContact C-O 3.54Å; I248-D263 WeakPolarHBondContact CA-O 3.34Å; I248-I264 HydrophobicContact CG1-CG1 4.43Å; I248-G294 WeakPolarHBondContact CG2-O 3.38Å; I248-H296 HydrophobicContact CD1-CB 4Å; I248-L303 HydrophobicContact CD1-CD1 3.43Å; I248-L303 VanDerWaalsContact CD1-CD1 3.43Å; I248-L303 HydrophobicContact CG1-CD1 4.22Å
249T95.2Very high92Very high3 Ų369.1 Ų69.12%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-124.3151.4178.171.30000112.7K247 V254 G262 D263 Y265K247-T249 HydrophobicContact CD-CG2 4.43Å; T249-V254 CarbonylContact C-O 3.56Å; T249-V254 WeakPolarHBondContact CA-O 3.32Å; T249-V254 WeakPolarHBondContact CB-O 3.25Å; T249-G262 CarbonylContact O-C 3.51Å; T249-G262 WeakPolarHBondContact O-CA 3.47Å; T249-D263 PolarHBondContact N-O 3.18Å; T249-D263 PolarHBondContact O-N 3.13Å; T249-Y265 HydrophobicContact CG2-CD2 4.11Å; T249-Y265 HydrophobicContact CG2-CE2 4.05Å; T249-Y265 VanDerWaalsContact OG1-CE2 3.28Å; T249-Y265 WeakPolarHBondContact OG1-CE2 3.38Å
250D92.3Very high92Very high46 Ų4669.4 Ų69.425%0.24637%0.368CS..  trans-74177.4169.378.5-1.5000111.2H252 E253 V254 C256D250-H252 PolarHBondContact O-N 2.88Å; D250-H252 VanDerWaalsContact O-N 3.1Å; D250-H252 VanDerWaalsContact OD1-C 3.24Å; D250-H252 VanDerWaalsContact OD1-CA 3.23Å; D250-H252 WeakPolarHBondContact OD1-CA 3.47Å; D250-H252 WeakPolarHBondContact OD1-CB 3.21Å; D250-H252 PolarHBondContact OD1-N 3.07Å; D250-H252 IonicContact OD2-CD2 2.9Å; D250-E253 PolarHBondContact O-N 3.36Å; D250-E253 PolarHBondContact OD1-N 2.81Å; D250-E253 VanDerWaalsContact OD1-N 3.09Å; D250-V254 PolarHBondContact N-O 3.1Å; D250-V254 PolarHBondContact OD1-N 2.92Å; D250-C256 PolarHBondContact N-SG 2.93Å
251P89.6Confident92Very high112 Ų11269.2 Ų69.273%0.72737%0.367SS*.THydrogen-bonded Turntrans-62.8-10.5175.8-24.936.3000115.4
252H90.8Very high92.1Very high154 Ų15468.9 Ų68.971%0.71336%0.364SS*.THydrogen-bonded Turntrans-99.410.2176.1-57.7-60.7000112.4D250 V254D250-H252 PolarHBondContact O-N 2.88Å; D250-H252 VanDerWaalsContact O-N 3.1Å; D250-H252 VanDerWaalsContact OD1-C 3.24Å; D250-H252 VanDerWaalsContact OD1-CA 3.23Å; D250-H252 WeakPolarHBondContact OD1-CA 3.47Å; D250-H252 WeakPolarHBondContact OD1-CB 3.21Å; D250-H252 PolarHBondContact OD1-N 3.07Å; D250-H252 IonicContact OD2-CD2 2.9Å; H252-V254 HydrophobicContact CB-CG2 4.28Å; H252-V254 PolarHBondContact O-N 3.28Å
253E87.4Confident92.3Very high140 Ų14068.5 Ų68.565%0.65436%0.36SS*.SBendtrans61.223.7-177.7-55.3-168148.700114D250D250-E253 PolarHBondContact O-N 3.36Å; D250-E253 PolarHBondContact OD1-N 2.81Å; D250-E253 VanDerWaalsContact OD1-N 3.09Å
254V92.7Very high92.4Very high88 Ų8863.7 Ų63.753%0.53333%0.334SS..PPolyproline II helixtrans-88.6132.9172.6-176.50000108.7T249 D250 H252 C256T249-V254 CarbonylContact C-O 3.56Å; T249-V254 WeakPolarHBondContact CA-O 3.32Å; T249-V254 WeakPolarHBondContact CB-O 3.25Å; D250-V254 PolarHBondContact N-O 3.1Å; D250-V254 PolarHBondContact OD1-N 2.92Å; H252-V254 HydrophobicContact CB-CG2 4.28Å; H252-V254 PolarHBondContact O-N 3.28Å; V254-C256 PolarHBondContact O-N 2.86Å
255E93.7Very high92.5Very high130 Ų13063.7 Ų63.761%0.60733%0.334SS*.BIsolated β-bridgetrans-62.6126.9179.1-168.6170.215800111.1K247 I248K247-E255 HydrophobicContact CB-CG 4.45Å; I248-E255 CarbonylContact O-C 3.6Å; I248-E255 WeakPolarHBondContact O-CA 3.46Å
256C91.7Very high92.5Very high25 Ų2559.2 Ų59.217%0.16931%0.313CS..PPolyproline II helixtrans-76.6146.9-178-71.80000111.7I248 D250 V254 V260I248-C256 HydrophobicContact CB-CB 4.21Å; I248-C256 HydrophobicContact CG2-CB 4.06Å; I248-C256 PolarHBondContact O-N 2.81Å; D250-C256 PolarHBondContact N-SG 2.93Å; V254-C256 PolarHBondContact O-N 2.86Å; C256-V260 HydrophobicContact CB-CB 4.04Å; C256-V260 HydrophobicContact CB-CG1 4.14Å
257H90.3Very high92.5Very high163 Ų16361 Ų6176%0.75531%0.314SS*.PPolyproline II helixtrans-73.9171162.4-63-67.7000111.1V260H257-V260 PolarHBondContact O-N 2.72Å
258A90.5Very high92.4Very high25 Ų2560.1 Ų60.121%0.20732%0.315CS..THydrogen-bonded Turntrans-54153172.500000112.1V260 H296 E298A258-V260 PolarHBondContact O-N 3.45Å; A258-H296 WeakPolarHBondContact CA-O 3.44Å; A258-E298 HydrophobicContact CB-CB 4.27Å; A258-E298 HydrophobicContact CB-CG 3.58Å
259E90.9Very high92.2Very high91 Ų9160.5 Ų60.543%0.42532%0.318SS..THydrogen-bonded Turntrans61.317.7-178.7-45.9-55.9156.200115.4H296 S297 E298E259-H296 PolarHBondContact N-O 2.93Å; E259-S297 WeakPolarHBondContact OE1-CA 3.42Å; E259-E298 PolarHBondContact OE1-N 3.12Å
260V91.9Very high92.1Very high67 Ų6760.4 Ų60.441%0.40632%0.317SS..  trans-113.2116.5174.9-178.40000109.9C256 H257 A258 G262C256-V260 HydrophobicContact CB-CB 4.04Å; C256-V260 HydrophobicContact CB-CG1 4.14Å; H257-V260 PolarHBondContact O-N 2.72Å; A258-V260 PolarHBondContact O-N 3.45Å; V260-G262 PolarHBondContact O-N 2.98Å
261T91.6Very high92.1Very high54 Ų5458.6 Ų58.633%0.33131%0.308SS..  trans-69.5123.9175.8-64.80000111.8G294 E295T261-G294 WeakPolarHBondContact CA-O 3.48Å; T261-E295 PolarHBondContact OG1-OE2 3.09Å
262G93.1Very high92.1Very high1 Ų153.4 Ų53.41%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-145.7-170177.900000113.4I248 T249 V260 R293 G294I248-G262 VanDerWaalsContact CG2-CA 3.43Å; T249-G262 CarbonylContact O-C 3.51Å; T249-G262 WeakPolarHBondContact O-CA 3.47Å; V260-G262 PolarHBondContact O-N 2.98Å; G262-R293 WeakPolarHBondContact O-CA 3.36Å; G262-R293 WeakPolarHBondContact O-CB 3.45Å; G262-G294 PolarHBondContact N-O 3.3Å; G262-G294 PolarHBondContact O-N 2.78Å
263D93.1Very high91.9Very high37 Ų3748.5 Ų48.520%0.19826%0.256CS..EExtended strand (participates in β ladder)trans-81.1132.2174.1-76.2-30.6000110.3I248 T249 Y265 K289 R293I248-D263 CarbonylContact C-O 3.54Å; I248-D263 WeakPolarHBondContact CA-O 3.34Å; T249-D263 PolarHBondContact N-O 3.18Å; T249-D263 PolarHBondContact O-N 3.13Å; D263-Y265 HydrophobicContact CB-CE2 4.02Å; D263-K289 VanDerWaalsContact OD2-CE 3.22Å; D263-K289 WeakPolarHBondContact OD2-CE 3.21Å; D263-K289 IonicContact OD2-NZ 3.84Å; D263-K289 PolarHBondContact OD2-NZ 2.86Å; D263-R293 WeakPolarHBondContact OD1-CG 3.46Å
264I93.5Very high91.9Very high1 Ų144.4 Ų44.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-88.8130.2-178-65.9161.4000110.4F223 I248 T290 M292 R293 L303 L305F223-I264 HydrophobicContact CE1-CG2 4.3Å; F223-I264 HydrophobicContact CE2-CG2 4.04Å; F223-I264 HydrophobicContact CZ-CG2 3.45Å; F223-I264 VanDerWaalsContact CZ-CG2 3.45Å; I248-I264 HydrophobicContact CG1-CG1 4.43Å; I264-T290 WeakPolarHBondContact CB-OG1 3.4Å; I264-T290 HydrophobicContact CG2-CG2 4.07Å; I264-T290 WeakPolarHBondContact O-CB 3.19Å; I264-T290 WeakPolarHBondContact O-CG2 3.17Å; I264-T290 PolarHBondContact O-N 3.2Å; I264-T290 PolarHBondContact O-OG1 3.28Å; I264-M292 HydrophobicContact CB-CB 4.47Å; I264-M292 HydrophobicContact CD1-CB 3.98Å; I264-M292 PolarHBondContact N-O 2.91Å; I264-R293 VanDerWaalsContact CD1-C 3.48Å; I264-L303 HydrophobicContact CD1-CD2 3.84Å; I264-L303 HydrophobicContact CG1-CD2 4.43Å; I264-L305 HydrophobicContact CD1-CD2 3.34Å
265Y94.3Very high91.6Very high18 Ų1840.8 Ų40.87%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-116.3145.3170.6-68.8-111.9000109.6C246 K247 T249 D263 W287 I288 K289C246-Y265 WeakPolarHBondContact CA-O 3.15Å; K247-Y265 HydrophobicContact CG-CG 4.39Å; K247-Y265 PolarHBondContact N-O 2.93Å; K247-Y265 PolarHBondContact O-N 2.82Å; T249-Y265 HydrophobicContact CG2-CD2 4.11Å; T249-Y265 HydrophobicContact CG2-CE2 4.05Å; T249-Y265 VanDerWaalsContact OG1-CE2 3.28Å; T249-Y265 WeakPolarHBondContact OG1-CE2 3.38Å; D263-Y265 HydrophobicContact CB-CE2 4.02Å; Y265-W287 HydrophobicContact CD1-CB 4.14Å; Y265-I288 CarbonylContact C-O 3.55Å; Y265-I288 VanDerWaalsContact CA-O 3.25Å; Y265-I288 WeakPolarHBondContact CA-O 3.29Å; Y265-K289 HydrophobicContact CD1-CB 3.98Å; Y265-K289 HydrophobicContact CE1-CB 3.62Å; Y265-K289 HydrophobicContact CE1-CD 4.34Å; Y265-K289 HydrophobicContact CE1-CG 4.02Å; Y265-K289 HydrophobicContact CE2-CD 4.4Å; Y265-K289 HydrophobicContact CE2-CG 4.14Å; Y265-K289 WeakPolarHBondContact OH-CD 3.34Å
266V94.7Very high90.9Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-128146.6178.570.50000110.8M215 P222 F244 E245 I288 T290M215-V266 HydrophobicContact SD-CG1 4.04Å; P222-V266 HydrophobicContact CB-CB 4.25Å; P222-V266 HydrophobicContact CB-CG1 4.49Å; P222-V266 HydrophobicContact CB-CG2 3.41Å; P222-V266 VanDerWaalsContact CB-CG2 3.41Å; P222-V266 HydrophobicContact CG-CG2 4.28Å; F244-V266 HydrophobicContact CB-CG2 4.22Å; F244-V266 HydrophobicContact CD1-CG2 3.46Å; F244-V266 VanDerWaalsContact CD1-CG2 3.46Å; F244-V266 HydrophobicContact CE1-CG2 4.14Å; F244-V266 HydrophobicContact CG-CG2 4.16Å; E245-V266 WeakPolarHBondContact O-CA 3.29Å; E245-V266 WeakPolarHBondContact O-CG2 3.5Å; V266-I288 HydrophobicContact CG1-CB 4.45Å; V266-I288 PolarHBondContact N-O 2.82Å; V266-I288 PolarHBondContact O-N 3.19Å; V266-T290 HydrophobicContact CB-CG2 4.03Å; V266-T290 HydrophobicContact CG1-CG2 3.69Å
267R94.1Very high90.4Very high78 Ų7842.9 Ų42.929%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-136.4139.1169.1-179.7174.474.2-175.7-1.5108.8F244 E245 Y285 G286 W287F244-R267 WeakPolarHBondContact CA-O 3.32Å; E245-R267 PolarHBondContact N-O 3.22Å; E245-R267 PolarHBondContact O-N 2.86Å; E245-R267 IonicContact OE1-CZ 3.32Å; E245-R267 VanDerWaalsContact OE1-CZ 3.23Å; E245-R267 IonicContact OE1-NE 3.47Å; E245-R267 PolarHBondContact OE1-NE 2.74Å; E245-R267 IonicContact OE1-NH2 2.57Å; E245-R267 PolarHBondContact OE1-NH2 3.21Å; E245-R267 IonicContact OE2-CZ 3.49Å; E245-R267 IonicContact OE2-NH2 3.5Å; E245-R267 PolarHBondContact OE2-NH2 3.35Å; R267-Y285 WeakPolarHBondContact CD-O 3.28Å; R267-Y285 PolarHBondContact NH1-O 3.01Å; R267-G286 WeakPolarHBondContact CG-O 3.22Å; R267-W287 HydrophobicContact CB-CD2 4.09Å; R267-W287 HydrophobicContact CB-CE3 3.71Å; R267-W287 HydrophobicContact CB-CH2 4.49Å; R267-W287 HydrophobicContact CB-CZ3 3.94Å
268G92.8Very high90Very high16 Ų1638 Ų3817%0.16523%0.231CC..  trans-175.2168176.700000112.3A270 C271G268-A270 PolarHBondContact O-N 2.62Å; G268-C271 WeakPolarHBondContact O-CB 3.44Å; G268-C271 PolarHBondContact O-N 3.15Å
269P91.8Very high89.9Confident22 Ų2240.8 Ų40.814%0.14324%0.24CC..THydrogen-bonded Turntrans-71.4-19-174.831.8-37.8000113.1Y89 N90 A93 M97 N243 C271Y89-P269 HydrophobicContact CE1-CB 3.58Å; Y89-P269 WeakPolarHBondContact OH-CB 3.26Å; N90-P269 WeakPolarHBondContact CA-O 3.49Å; N90-P269 PolarHBondContact ND2-O 2.91Å; A93-P269 HydrophobicContact CB-CB 3.76Å; A93-P269 HydrophobicContact CB-CG 3.93Å; M97-P269 HydrophobicContact CE-CG 4.26Å; M97-P269 HydrophobicContact SD-CG 3.53Å; M97-P269 VanDerWaalsContact SD-CG 3.53Å; N243-P269 HydrophobicContact CB-CG 4.14Å; N243-P269 WeakPolarHBondContact O-CD 3.15Å; P269-C271 VanDerWaalsContact C-N 3.31Å
270A92.3Very high89.9Confident0 Ų040.1 Ų40.10%025%0.246CC..THydrogen-bonded Turntrans-82.7-3.9174.900000113.9A94 M97 L219 F244 G268A94-A270 HydrophobicContact CB-CB 3.95Å; M97-A270 HydrophobicContact CE-CB 4.21Å; M97-A270 HydrophobicContact SD-CB 4.23Å; L219-A270 PolarHBondContact N-O 3.1Å; F244-A270 HydrophobicContact CZ-CB 4.03Å; G268-A270 PolarHBondContact O-N 2.62Å
271C92.6Very high89.7Confident8 Ų838.2 Ų38.25%0.05423%0.233CC..BIsolated β-bridgetrans-84.8136.9-178.3-67.80000113N90 G268 P269 I288N90-C271 PolarHBondContact ND2-O 2.75Å; N90-C271 VanDerWaalsContact ND2-O 3.08Å; G268-C271 WeakPolarHBondContact O-CB 3.44Å; G268-C271 PolarHBondContact O-N 3.15Å; P269-C271 VanDerWaalsContact C-N 3.31Å; C271-I288 HydrophobicContact CB-CD1 3.56Å
272A89.7Confident89.7Confident3 Ų336.1 Ų36.13%0.02522%0.221CC..  trans-78.6132.3164.300000109.8I84 F86 E217 L281 I288I84-A272 HydrophobicContact CG2-CB 3.54Å; F86-A272 HydrophobicContact CD1-CB 4.21Å; F86-A272 HydrophobicContact CE1-CB 3.8Å; F86-A272 HydrophobicContact CZ-CB 4.32Å; E217-A272 PolarHBondContact O-N 2.86Å; A272-L281 HydrophobicContact CB-CD1 4.06Å; A272-I288 WeakPolarHBondContact O-CD1 3.48Å
273T87.5Confident89.5Confident51 Ų5139 Ų3931%0.31324%0.236SC..  trans-93.8-14.7-177.851.50000113.8L281 A282T273-L281 PolarHBondContact O-N 3.21Å; T273-A282 HydrophobicContact CG2-CB 4.32Å; T273-A282 PolarHBondContact O-N 2.82Å
274T87.6Confident89.3Confident54 Ų5445 Ų4533%0.33126%0.263SS..BIsolated β-bridgetrans-148147.9-178.354.60000109.6P85 E279P85-T274 WeakPolarHBondContact CD-O 3.35Å; P85-T274 VanDerWaalsContact CG-O 3.31Å; P85-T274 WeakPolarHBondContact CG-O 3.18Å; T274-E279 CarbonylContact C-O 3.57Å; T274-E279 WeakPolarHBondContact CA-O 3.38Å
275Y86Confident89Confident13 Ų1352.1 Ų52.15%0.05129%0.291CS..  trans-69.7160.7162-67.9-61.4000110.4A82 I84 E217 S277 G278 E279 L281A82-Y275 HydrophobicContact CB-CD1 3.7Å; A82-Y275 HydrophobicContact CB-CE1 3.5Å; A82-Y275 HydrophobicContact CB-CG 4.41Å; I84-Y275 HydrophobicContact CD1-CE1 4.32Å; I84-Y275 HydrophobicContact CG1-CD1 3.81Å; I84-Y275 HydrophobicContact CG1-CE1 3.74Å; E217-Y275 PolarHBondContact OE1-OH 2.82Å; Y275-S277 WeakPolarHBondContact CB-OG 2.88Å; Y275-S277 PolarHBondContact O-N 2.92Å; Y275-S277 VanDerWaalsContact O-N 3.17Å; Y275-G278 PolarHBondContact O-N 2.51Å; Y275-E279 HydrophobicContact CD2-CB 4.06Å; Y275-E279 HydrophobicContact CD2-CG 4.16Å; Y275-E279 PolarHBondContact N-O 2.84Å; Y275-L281 HydrophobicContact CD1-CD1 4.01Å; Y275-L281 HydrophobicContact CD1-CD2 4.25Å; Y275-L281 HydrophobicContact CD1-CG 4.26Å; Y275-L281 HydrophobicContact CD2-CD2 3.91Å; Y275-L281 HydrophobicContact CD2-CG 4.05Å; Y275-L281 HydrophobicContact CE1-CD1 4.03Å; Y275-L281 HydrophobicContact CE1-CD2 3.69Å; Y275-L281 HydrophobicContact CE1-CG 4.18Å; Y275-L281 HydrophobicContact CE2-CD2 3.32Å; Y275-L281 HydrophobicContact CE2-CG 3.98Å; Y275-L281 HydrophobicContact CG-CD1 4.33Å; Y275-L281 HydrophobicContact CG-CD2 4.36Å; Y275-L281 HydrophobicContact CG-CG 4.2Å; Y275-L281 WeakPolarHBondContact OH-CD2 3.43Å
276L78.6Confident88.7Confident99 Ų9952.1 Ų52.152%0.51830%0.297SS..THydrogen-bonded Turntrans-62.6-22.7177-170.265.3000112.1L67 V70 A83 P85 G278L67-L276 HydrophobicContact CD1-CD1 4.19Å; V70-L276 HydrophobicContact CG1-CD2 4.36Å; A83-L276 HydrophobicContact CB-CB 3.74Å; A83-L276 HydrophobicContact CB-CD2 4Å; A83-L276 PolarHBondContact O-N 3.34Å; P85-L276 HydrophobicContact CB-CD1 4.39Å; L276-G278 PolarHBondContact O-N 3.25Å
277S81.4Confident88.7Confident100 Ų10053.6 Ų53.670%0.69930%0.302SS*.THydrogen-bonded Turntrans-68.3-13.6172.457.70000114Y275Y275-S277 WeakPolarHBondContact CB-OG 2.88Å; Y275-S277 PolarHBondContact O-N 2.92Å; Y275-S277 VanDerWaalsContact O-N 3.17Å
278G83Confident88.6Confident59 Ų5950 Ų5061%0.60829%0.289SS*.SBendtrans91.6-4.3-174.600000114.5Y275 L276Y275-G278 PolarHBondContact O-N 2.51Å; L276-G278 PolarHBondContact O-N 3.25Å
279E87.8Confident88.5Confident85 Ų8552.7 Ų52.740%0.39730%0.296SS..  trans-64.8132.8170.9179.5-175.6173.400110.2R75 T274 Y275R75-E279 IonicContact CZ-OE1 2.75Å; R75-E279 IonicContact CZ-OE2 3.23Å; R75-E279 IonicContact NH1-OE1 3.41Å; R75-E279 PolarHBondContact NH1-OE1 3.19Å; R75-E279 IonicContact NH1-OE2 2.81Å; R75-E279 PolarHBondContact NH1-OE2 3.31Å; R75-E279 IonicContact NH2-OE1 3.06Å; R75-E279 PolarHBondContact NH2-OE1 2.8Å; R75-E279 IonicContact NH2-OE2 3.96Å; R75-E279 PolarHBondContact NH2-OE2 3.01Å; T274-E279 CarbonylContact C-O 3.57Å; T274-E279 WeakPolarHBondContact CA-O 3.38Å; Y275-E279 HydrophobicContact CD2-CB 4.06Å; Y275-E279 HydrophobicContact CD2-CG 4.16Å; Y275-E279 PolarHBondContact N-O 2.84Å
280S89.9Confident88.4Confident77 Ų7752.2 Ų52.254%0.53829%0.293SS..BIsolated β-bridgetrans-75.4131.2-178.8-156.10000111.5A282S280-A282 PolarHBondContact OG-O 3.28Å
281L89.3Confident88Confident26 Ų2656.1 Ų56.114%0.13631%0.313CS..SBendtrans-90.7-28.9171.2-78.5170.5000112.1E217 A272 T273 Y275E217-L281 HydrophobicContact CB-CD1 4.09Å; E217-L281 HydrophobicContact CG-CD1 3.67Å; E217-L281 HydrophobicContact CG-CD2 3.47Å; E217-L281 VanDerWaalsContact CG-CD2 3.47Å; E217-L281 HydrophobicContact CG-CG 4.15Å; A272-L281 HydrophobicContact CB-CD1 4.06Å; T273-L281 PolarHBondContact O-N 3.21Å; Y275-L281 HydrophobicContact CD1-CD1 4.01Å; Y275-L281 HydrophobicContact CD1-CD2 4.25Å; Y275-L281 HydrophobicContact CD1-CG 4.26Å; Y275-L281 HydrophobicContact CD2-CD2 3.91Å; Y275-L281 HydrophobicContact CD2-CG 4.05Å; Y275-L281 HydrophobicContact CE1-CD1 4.03Å; Y275-L281 HydrophobicContact CE1-CD2 3.69Å; Y275-L281 HydrophobicContact CE1-CG 4.18Å; Y275-L281 HydrophobicContact CE2-CD2 3.32Å; Y275-L281 HydrophobicContact CE2-CG 3.98Å; Y275-L281 HydrophobicContact CG-CD1 4.33Å; Y275-L281 HydrophobicContact CG-CD2 4.36Å; Y275-L281 HydrophobicContact CG-CG 4.2Å; Y275-L281 WeakPolarHBondContact OH-CD2 3.43Å
282A90.8Very high87.7Confident11 Ų1157.2 Ų57.29%0.09132%0.318CS..BIsolated β-bridgetrans-111.4156.8-177.900000111.7T273 S280 W287 I288T273-A282 HydrophobicContact CG2-CB 4.32Å; T273-A282 PolarHBondContact O-N 2.82Å; S280-A282 PolarHBondContact OG-O 3.28Å; A282-W287 CarbonylContact C-O 3.52Å; A282-W287 WeakPolarHBondContact CA-O 3.41Å; A282-I288 HydrophobicContact CB-CG1 3.85Å
283D89.9Confident87.7Confident61 Ų6160.7 Ų60.733%0.32633%0.331SS..  trans-69.3178.1164.37310.7000111.6K247 Y285 G286 W287K247-D283 IonicContact NZ-OD2 2.83Å; D283-Y285 PolarHBondContact O-N 2.74Å; D283-Y285 VanDerWaalsContact OD1-C 3.3Å; D283-Y285 VanDerWaalsContact OD1-CA 3.29Å; D283-Y285 WeakPolarHBondContact OD1-CA 3.35Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.23Å; D283-Y285 PolarHBondContact OD1-N 3.05Å; D283-G286 PolarHBondContact O-N 3.44Å; D283-G286 PolarHBondContact OD1-N 2.86Å; D283-W287 PolarHBondContact N-O 3.08Å; D283-W287 PolarHBondContact OD1-N 3.19Å; D283-W287 WeakPolarHBondContact OD2-CB 3.47Å
284Q87.1Confident87.8Confident164 Ų16458.3 Ų58.377%0.76632%0.316SS*.THydrogen-bonded Turntrans-60.4-14.3178.667.6-174.2-1.500114.4
285Y88.2Confident88.1Confident149 Ų14956.6 Ų56.658%0.58430%0.304SS*.THydrogen-bonded Turntrans-104.51.5179.1-54.2-68.5000112.8R267 D283R267-Y285 WeakPolarHBondContact CD-O 3.28Å; R267-Y285 PolarHBondContact NH1-O 3.01Å; D283-Y285 PolarHBondContact O-N 2.74Å; D283-Y285 VanDerWaalsContact OD1-C 3.3Å; D283-Y285 VanDerWaalsContact OD1-CA 3.29Å; D283-Y285 WeakPolarHBondContact OD1-CA 3.35Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.23Å; D283-Y285 PolarHBondContact OD1-N 3.05Å
286G88.8Confident88.4Confident18 Ų1859.6 Ų59.619%0.18632%0.319CS..  trans89.28.917800000115.1R267 D283R267-G286 WeakPolarHBondContact CG-O 3.22Å; D283-G286 PolarHBondContact O-N 3.44Å; D283-G286 PolarHBondContact OD1-N 2.86Å
287W93.6Very high89.1Confident32 Ų3254.9 Ų54.912%0.12129%0.294CS..  trans-80.1130.3178.1-65.3104.4000112E245 K247 Y265 R267 A282 D283E245-W287 HydrophobicContact CB-CH2 3.7Å; E245-W287 HydrophobicContact CB-CZ3 4.08Å; E245-W287 WeakPolarHBondContact O-CZ3 3.18Å; K247-W287 HydrophobicContact CB-CH2 4.02Å; K247-W287 HydrophobicContact CB-CZ2 4.45Å; K247-W287 HydrophobicContact CB-CZ3 4.13Å; K247-W287 HydrophobicContact CD-CD2 3.8Å; K247-W287 HydrophobicContact CD-CE3 4.1Å; K247-W287 HydrophobicContact CD-CG 4.21Å; K247-W287 HydrophobicContact CD-CH2 4.3Å; K247-W287 HydrophobicContact CD-CZ2 4.03Å; K247-W287 HydrophobicContact CD-CZ3 4.34Å; K247-W287 HydrophobicContact CG-CD2 4.1Å; K247-W287 HydrophobicContact CG-CE3 3.86Å; K247-W287 HydrophobicContact CG-CH2 4.05Å; K247-W287 HydrophobicContact CG-CZ2 4.3Å; K247-W287 HydrophobicContact CG-CZ3 3.83Å; K247-W287 VanDerWaalsContact NZ-CD1 3.29Å; Y265-W287 HydrophobicContact CD1-CB 4.14Å; R267-W287 HydrophobicContact CB-CD2 4.09Å; R267-W287 HydrophobicContact CB-CE3 3.71Å; R267-W287 HydrophobicContact CB-CH2 4.49Å; R267-W287 HydrophobicContact CB-CZ3 3.94Å; A282-W287 CarbonylContact C-O 3.52Å; A282-W287 WeakPolarHBondContact CA-O 3.41Å; D283-W287 PolarHBondContact N-O 3.08Å; D283-W287 PolarHBondContact OD1-N 3.19Å; D283-W287 WeakPolarHBondContact OD2-CB 3.47Å
288I92.3Very high89.5Confident3 Ų356.5 Ų56.52%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-109.4128.6176.8-56.6177.5000109M215 Y265 V266 C271 A272 A282 T290M215-I288 HydrophobicContact CE-CG2 3.47Å; M215-I288 VanDerWaalsContact CE-CG2 3.47Å; M215-I288 HydrophobicContact SD-CG2 4.29Å; Y265-I288 CarbonylContact C-O 3.55Å; Y265-I288 VanDerWaalsContact CA-O 3.25Å; Y265-I288 WeakPolarHBondContact CA-O 3.29Å; V266-I288 HydrophobicContact CG1-CB 4.45Å; V266-I288 PolarHBondContact N-O 2.82Å; V266-I288 PolarHBondContact O-N 3.19Å; C271-I288 HydrophobicContact CB-CD1 3.56Å; A272-I288 WeakPolarHBondContact O-CD1 3.48Å; A282-I288 HydrophobicContact CB-CG1 3.85Å; I288-T290 PolarHBondContact O-N 3.15Å
289K91Very high89.9Confident71 Ų7162 Ų6231%0.30930%0.3SS..EExtended strand (participates in β ladder)trans-73.9121.4174.3-169.1171.4-170149.70109.9D263 Y265D263-K289 VanDerWaalsContact OD2-CE 3.22Å; D263-K289 WeakPolarHBondContact OD2-CE 3.21Å; D263-K289 IonicContact OD2-NZ 3.84Å; D263-K289 PolarHBondContact OD2-NZ 2.86Å; Y265-K289 HydrophobicContact CD1-CB 3.98Å; Y265-K289 HydrophobicContact CE1-CB 3.62Å; Y265-K289 HydrophobicContact CE1-CD 4.34Å; Y265-K289 HydrophobicContact CE1-CG 4.02Å; Y265-K289 HydrophobicContact CE2-CD 4.4Å; Y265-K289 HydrophobicContact CE2-CG 4.14Å; Y265-K289 WeakPolarHBondContact OH-CD 3.34Å
290T88.4Confident89.9Confident13 Ų1361.7 Ų61.78%0.0830%0.302CS..EExtended strand (participates in β ladder)trans-81.6-15.9-174.465.30000114.1M215 F223 I264 V266 I288 M292M215-T290 HydrophobicContact SD-CG2 4.14Å; F223-T290 HydrophobicContact CE2-CG2 4.37Å; I264-T290 WeakPolarHBondContact CB-OG1 3.4Å; I264-T290 HydrophobicContact CG2-CG2 4.07Å; I264-T290 WeakPolarHBondContact O-CB 3.19Å; I264-T290 WeakPolarHBondContact O-CG2 3.17Å; I264-T290 PolarHBondContact O-N 3.2Å; I264-T290 PolarHBondContact O-OG1 3.28Å; V266-T290 HydrophobicContact CB-CG2 4.03Å; V266-T290 HydrophobicContact CG1-CG2 3.69Å; I288-T290 PolarHBondContact O-N 3.15Å; T290-M292 HydrophobicContact CG2-CE 4.11Å; T290-M292 PolarHBondContact O-N 3.13Å; T290-M292 WeakPolarHBondContact OG1-CB 3.37Å; T290-M292 PolarHBondContact OG1-N 3.36Å; T290-M292 VanDerWaalsContact OG1-N 3.07Å
291N85.4Confident89.9Confident81 Ų8164.8 Ų64.843%0.43331%0.309SS..EExtended strand (participates in β ladder)trans60.113.9-164.5-49.7-66.9000114.3K77K77-N291 WeakPolarHBondContact CE-OD1 3.42Å; K77-N291 PolarHBondContact NZ-OD1 3.02Å
292M86Confident90Very high32 Ų3263.8 Ų63.816%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-94.1153.2166.4-64.6-177.7-76.900110F213 F223 I264 T290 L305F213-M292 HydrophobicContact CB-SD 4.3Å; F223-M292 HydrophobicContact CD2-CE 3.6Å; F223-M292 HydrophobicContact CE2-CE 3.43Å; F223-M292 VanDerWaalsContact CE2-CE 3.43Å; I264-M292 HydrophobicContact CB-CB 4.47Å; I264-M292 HydrophobicContact CD1-CB 3.98Å; I264-M292 PolarHBondContact N-O 2.91Å; T290-M292 HydrophobicContact CG2-CE 4.11Å; T290-M292 PolarHBondContact O-N 3.13Å; T290-M292 WeakPolarHBondContact OG1-CB 3.37Å; T290-M292 PolarHBondContact OG1-N 3.36Å; T290-M292 VanDerWaalsContact OG1-N 3.07Å; M292-L305 HydrophobicContact SD-CD1 4.29Å
293R88.9Confident90.1Very high76 Ų7663.6 Ų63.629%0.28730%0.302SS..EExtended strand (participates in β ladder)trans-116.2150.3171.2-64.7-172.171.4-175.21.5110.1G262 D263 I264 S306G262-R293 WeakPolarHBondContact O-CA 3.36Å; G262-R293 WeakPolarHBondContact O-CB 3.45Å; D263-R293 WeakPolarHBondContact OD1-CG 3.46Å; I264-R293 VanDerWaalsContact CD1-C 3.48Å; R293-S306 PolarHBondContact O-N 2.96Å
294G90.7Very high90.1Very high0 Ų062.4 Ų62.40%029%0.293CS..EExtended strand (participates in β ladder)trans-177.5-178.1177.400000112.1I248 T261 G262 Y304I248-G294 WeakPolarHBondContact CG2-O 3.38Å; T261-G294 WeakPolarHBondContact CA-O 3.48Å; G262-G294 PolarHBondContact N-O 3.3Å; G262-G294 PolarHBondContact O-N 2.78Å; G294-Y304 CarbonylContact C-O 3.59Å; G294-Y304 WeakPolarHBondContact CA-O 3.43Å
295E92.5Very high90.1Very high19 Ų1954.6 Ų54.69%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-140.3145.6179.567.3-156.4158.200109.8R235 T261 L303 Y304R235-E295 VanDerWaalsContact CD-OE1 3.26Å; R235-E295 WeakPolarHBondContact CD-OE1 3.21Å; R235-E295 IonicContact CZ-OE1 2.71Å; R235-E295 VanDerWaalsContact CZ-OE1 3.32Å; R235-E295 IonicContact NE-OE1 3.88Å; R235-E295 IonicContact NH1-OE1 3.82Å; R235-E295 PolarHBondContact NH1-OE1 3.1Å; T261-E295 PolarHBondContact OG1-OE2 3.09Å; E295-L303 WeakPolarHBondContact O-CD1 3.31Å; E295-Y304 PolarHBondContact N-O 3.42Å; E295-Y304 PolarHBondContact O-N 2.81Å
296H93.7Very high89.6Confident75 Ų7548.3 Ų48.335%0.34724%0.235SC..EExtended strand (participates in β ladder)trans-89125.1176.5174.5-110.5000109.2I248 A258 E259I248-H296 HydrophobicContact CD1-CB 4Å; A258-H296 WeakPolarHBondContact CA-O 3.44Å; E259-H296 PolarHBondContact N-O 2.93Å
297S92.7Very high88.4Confident1 Ų150.9 Ų50.91%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-94.2116.5172.7170.10000110.3E259 E299 D300 M301 C302E259-S297 WeakPolarHBondContact OE1-CA 3.42Å; S297-E299 VanDerWaalsContact C-N 3.34Å; S297-D300 WeakPolarHBondContact OG-CB 3.38Å; S297-D300 PolarHBondContact OG-N 3.06Å; S297-D300 PolarHBondContact OG-OD2 3.23Å; S297-M301 WeakPolarHBondContact O-CA 3.31Å; S297-M301 PolarHBondContact O-N 2.71Å; S297-C302 PolarHBondContact N-O 3.05Å; S297-C302 PolarHBondContact O-N 3.42Å
298E90.5Very high86.6Confident134 Ų13451.1 Ų51.163%0.62626%0.257SS*.THydrogen-bonded Turntrans-72.3-31.5174.5-87.7-179.7-167.300111.6A258 E259A258-E298 HydrophobicContact CB-CB 4.27Å; A258-E298 HydrophobicContact CB-CG 3.58Å; E259-E298 PolarHBondContact OE1-N 3.12Å
299E90.5Very high84.6Confident174 Ų17456.4 Ų56.481%0.81329%0.289SS*.THydrogen-bonded Turntrans-69.6-44.6179-174.2173.3178.600111.3S297S297-E299 VanDerWaalsContact C-N 3.34Å
300D88.1Confident82.5Confident79 Ų7956.8 Ų56.842%0.42230%0.295SS..THydrogen-bonded Turntrans-90.8-6.6-176.6-54.7-59.7000113.1S297 C302 Y304S297-D300 WeakPolarHBondContact OG-CB 3.38Å; S297-D300 PolarHBondContact OG-N 3.06Å; S297-D300 PolarHBondContact OG-OD2 3.23Å; D300-C302 PolarHBondContact O-N 3.31Å; D300-Y304 HydrophobicContact CB-CE2 4.37Å; D300-Y304 WeakPolarHBondContact OD2-CE2 3.39Å; D300-Y304 PolarHBondContact OD2-OH 2.9Å
301M89.7Confident80.3Confident141 Ų14160.3 Ų60.370%0.69532%0.318SS*.THydrogen-bonded Turntrans53.238.5-177.5-61.8-68.8-63.700112.6S297S297-M301 WeakPolarHBondContact O-CA 3.31Å; S297-M301 PolarHBondContact O-N 2.71Å
302C91.9Very high78.2Confident6 Ų662.9 Ų62.94%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-144.3167.1-176.2790000112.3L226 L239 S297 D300L226-C302 HydrophobicContact CD1-CB 3.61Å; L239-C302 HydrophobicContact CD2-CB 4.45Å; S297-C302 PolarHBondContact N-O 3.05Å; S297-C302 PolarHBondContact O-N 3.42Å; D300-C302 PolarHBondContact O-N 3.31Å
303L92.4Very high75.9Confident7 Ų767.7 Ų67.74%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-98.4129.7172.5-17977.4000108.9F223 P237 V238 I248 I264 E295 L305F223-L303 HydrophobicContact CD1-CD2 3.82Å; F223-L303 HydrophobicContact CE1-CD2 3.61Å; F223-L303 HydrophobicContact CZ-CD2 4.32Å; P237-L303 CarbonylContact C-O 3.56Å; V238-L303 HydrophobicContact CG2-CB 3.79Å; V238-L303 HydrophobicContact CG2-CD2 3.88Å; V238-L303 HydrophobicContact CG2-CG 4.14Å; V238-L303 WeakPolarHBondContact CG2-O 3.35Å; V238-L303 PolarHBondContact N-O 3.08Å; V238-L303 PolarHBondContact O-N 3.29Å; I248-L303 HydrophobicContact CD1-CD1 3.43Å; I248-L303 VanDerWaalsContact CD1-CD1 3.43Å; I248-L303 HydrophobicContact CG1-CD1 4.22Å; I264-L303 HydrophobicContact CD1-CD2 3.84Å; I264-L303 HydrophobicContact CG1-CD2 4.43Å; E295-L303 WeakPolarHBondContact O-CD1 3.31Å; L303-L305 HydrophobicContact CD2-CD2 3.71Å; L303-L305 HydrophobicContact CG-CD2 4.28Å
304Y90.4Very high73.4Confident35 Ų3564.5 Ų64.514%0.13734%0.34CS..EExtended strand (participates in β ladder)trans-94.3113.7169.6-76.4-69.1000110.1R235 P237 G294 E295 D300R235-Y304 HydrophobicContact CB-CD1 3.5Å; R235-Y304 VanDerWaalsContact CB-CD1 3.5Å; R235-Y304 HydrophobicContact CB-CE1 4.38Å; R235-Y304 HydrophobicContact CB-CG 4Å; P237-Y304 HydrophobicContact CB-CD1 4.12Å; P237-Y304 HydrophobicContact CB-CE1 3.71Å; P237-Y304 HydrophobicContact CG-CE1 4.37Å; G294-Y304 CarbonylContact C-O 3.59Å; G294-Y304 WeakPolarHBondContact CA-O 3.43Å; E295-Y304 PolarHBondContact N-O 3.42Å; E295-Y304 PolarHBondContact O-N 2.81Å; D300-Y304 HydrophobicContact CB-CE2 4.37Å; D300-Y304 WeakPolarHBondContact OD2-CE2 3.39Å; D300-Y304 PolarHBondContact OD2-OH 2.9Å
305L87.5Confident70.7Confident0 Ų071.6 Ų71.60%037%0.371CS..EExtended strand (participates in β ladder)trans-76133.3171.7-61.4-176.3000110Y193 F213 T236 V238 I264 M292 L303Y193-L305 HydrophobicContact CD2-CB 3.72Å; Y193-L305 HydrophobicContact CD2-CD1 4.42Å; Y193-L305 HydrophobicContact CE2-CB 3.4Å; Y193-L305 VanDerWaalsContact CE2-CB 3.4Å; Y193-L305 WeakPolarHBondContact CE2-O 3.48Å; Y193-L305 PolarHBondContact OH-O 3.02Å; F213-L305 HydrophobicContact CD1-CD1 3.81Å; F213-L305 HydrophobicContact CD2-CD1 3.76Å; F213-L305 HydrophobicContact CE1-CD1 3.89Å; F213-L305 HydrophobicContact CE2-CD1 3.86Å; F213-L305 HydrophobicContact CG-CD1 3.74Å; F213-L305 HydrophobicContact CZ-CD1 3.92Å; T236-L305 PolarHBondContact N-O 2.96Å; T236-L305 PolarHBondContact O-N 2.84Å; V238-L305 HydrophobicContact CG1-CD1 3.7Å; V238-L305 HydrophobicContact CG1-CG 3.92Å; V238-L305 HydrophobicContact CG2-CD1 4.15Å; V238-L305 HydrophobicContact CG2-CD2 4.15Å; V238-L305 HydrophobicContact CG2-CG 3.8Å; I264-L305 HydrophobicContact CD1-CD2 3.34Å; M292-L305 HydrophobicContact SD-CD1 4.29Å; L303-L305 HydrophobicContact CD2-CD2 3.71Å; L303-L305 HydrophobicContact CG-CD2 4.28Å
306S76.9Confident68.2Low18 Ų1875.6 Ų75.613%0.12639%0.39CS..EExtended strand (participates in β ladder)trans-108.2151.6-177.2-74.80000112.8Y193 R293 A308Y193-S306 WeakPolarHBondContact OH-CA 3.17Å; R293-S306 PolarHBondContact O-N 2.96Å; S306-A308 PolarHBondContact O-N 3.24Å
307P62.7Low65.3Low71 Ų7174 Ų7446%0.46139%0.39SS..  trans-61.5135.6176.4-15.228.3000112Y193 T309Y193-P307 HydrophobicContact CD1-CB 4.42Å; Y193-P307 HydrophobicContact CE1-CB 3.67Å; Y193-P307 HydrophobicContact CE1-CG 3.77Å; Y193-P307 VanDerWaalsContact CE1-N 3.26Å; Y193-P307 VanDerWaalsContact CZ-N 3.26Å; Y193-P307 WeakPolarHBondContact OH-CD 3.29Å; Y193-P307 VanDerWaalsContact OH-N 3.09Å; P307-T309 PolarHBondContact O-N 3Å
308A55.7Low62.4Low37 Ų3779.1 Ų79.131%0.30642%0.417SS..  trans-54.7124.9166.700000108.2S306 N310S306-A308 PolarHBondContact O-N 3.24Å; A308-N310 PolarHBondContact O-N 2.94Å; A308-N310 VanDerWaalsContact O-N 3.13Å
309T50.3Low59.8Low114 Ų11476.8 Ų76.870%0.69941%0.405SS*.SBendtrans-63.1-18178.141.30000112.2P307P307-T309 PolarHBondContact O-N 3Å
310N48.2Very low56.9Low80 Ų8072.2 Ų72.243%0.42839%0.392SS..SBendtrans-121113.2178.8-147.7-3.3000110.9A308 E312 E313A308-N310 PolarHBondContact O-N 2.94Å; A308-N310 VanDerWaalsContact O-N 3.13Å; N310-E312 PolarHBondContact O-N 3.01Å; N310-E312 VanDerWaalsContact O-N 3.12Å; N310-E313 HydrophobicContact CB-CG 4.25Å; N310-E313 PolarHBondContact O-N 2.79Å
311P42Very low54.1Low87 Ų8772.4 Ų72.457%0.56540%0.399SS*.G310 helixtrans-58.1-27.2-178.4-24.532.3000114Q194Q194-P311 PolarHBondContact NE2-O 2.9Å; Q194-P311 VanDerWaalsContact NE2-O 3.1Å
312E40.2Very low51.5Low135 Ų13570.7 Ų70.763%0.63139%0.392SS*.G310 helixtrans-74.2-23.1-176.6-64.7-121.7115.100113.8N310 G314 K315N310-E312 PolarHBondContact O-N 3.01Å; N310-E312 VanDerWaalsContact O-N 3.12Å; E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 2.85Å; E312-K315 IonicContact OE1-NZ 3.58Å; E312-K315 PolarHBondContact OE1-NZ 2.78Å
313E38.9Very low48.8Very low132 Ų13274.4 Ų74.462%0.61741%0.412SS*.G310 helixtrans-78.6-11.5179.8-69.5179.4162.900113N310N310-E313 HydrophobicContact CB-CG 4.25Å; N310-E313 PolarHBondContact O-N 2.79Å
314G37.1Very low45.8Very low10 Ų1078.9 Ų78.910%0.10344%0.439CS..G310 helixtrans-100.55.7-177.400000115.8E312 H316E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 2.85Å; G314-H316 PolarHBondContact O-N 2.97Å
315K33Very low42.8Very low148 Ų14882.9 Ų82.964%0.64346%0.463SS*.  trans-72.573.5176.1-72.7-179.4-177160.30110.6E312E312-K315 IonicContact OE1-NZ 3.58Å; E312-K315 PolarHBondContact OE1-NZ 2.78Å
316H39.2Very low40Very low104 Ų10490.9 Ų90.948%0.48150%0.495SS..  trans-68148.2159.9-74.7-80000109.5N192 G314 D318N192-H316 HydrophobicContact CB-CB 4.28Å; G314-H316 PolarHBondContact O-N 2.97Å; H316-D318 PolarHBondContact O-N 3.21Å
317A32.8Very low37.6Very low42 Ų4299.9 Ų99.935%0.34753%0.531SS..  trans-43.2120.7-173.100000112.4F319A317-F319 VanDerWaalsContact C-N 3.35Å; A317-F319 WeakPolarHBondContact O-CD2 3.33Å; A317-F319 PolarHBondContact O-N 3.19Å
318D32.9Very low36Very low108 Ų108103.3 Ų103.358%0.57854%0.539SS*.  trans-6894.7172.3-169.1-7.5000108.4H316 S320 S321H316-D318 PolarHBondContact O-N 3.21Å; D318-S320 PolarHBondContact O-N 2.71Å; D318-S320 VanDerWaalsContact OD1-CB 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.47Å; D318-S320 PolarHBondContact OD1-N 2.84Å; D318-S320 PolarHBondContact OD1-OG 3.25Å; D318-S320 PolarHBondContact OD2-OG 3.16Å; D318-S321 PolarHBondContact O-N 3.26Å; D318-S321 VanDerWaalsContact O-N 3.15Å; D318-S321 PolarHBondContact O-OG 2.94Å
319F35.7Very low34.6Very low85 Ų85111.8 Ų111.837%0.37356%0.563SS.*G310 helixtrans-57.7-15.7179.7-78.1-82.2000112.9P118 T121 A317 S321 L322P118-F319 HydrophobicContact CG-CE1 4.41Å; T121-F319 HydrophobicContact CG2-CE1 4.07Å; T121-F319 HydrophobicContact CG2-CZ 4.26Å; A317-F319 VanDerWaalsContact C-N 3.35Å; A317-F319 WeakPolarHBondContact O-CD2 3.33Å; A317-F319 PolarHBondContact O-N 3.19Å; F319-S321 PolarHBondContact O-N 2.68Å; F319-L322 PolarHBondContact O-N 3.47Å
320S29.1Very low33.4Very low78 Ų78115.7 Ų115.755%0.54557%0.57SS.*G310 helixtrans-59.7-30175.869.60000112.8D318D318-S320 PolarHBondContact O-N 2.71Å; D318-S320 VanDerWaalsContact OD1-CB 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.47Å; D318-S320 PolarHBondContact OD1-N 2.84Å; D318-S320 PolarHBondContact OD1-OG 3.25Å; D318-S320 PolarHBondContact OD2-OG 3.16Å
321S29.8Very low32.4Very low82 Ų82118.1 Ų118.157%0.57358%0.582SS**G310 helixtrans-83.3-18.3-177.166.10000114.9D318 F319D318-S321 PolarHBondContact O-N 3.26Å; D318-S321 VanDerWaalsContact O-N 3.15Å; D318-S321 PolarHBondContact O-OG 2.94Å; F319-S321 PolarHBondContact O-N 2.68Å
322L35.3Very low31.5Very low105 Ų105119 Ų11955%0.5559%0.586SS.*G310 helixtrans-95.20.4-175.8-78.5159000113.8F319 T324F319-L322 PolarHBondContact O-N 3.47Å; L322-T324 VanDerWaalsContact C-N 3.35Å
323L34.7Very low30.9Very low85 Ų85118.2 Ų118.245%0.44559%0.585SS.*  trans-84.4-2.3-176.4-74167.4000114.5F144F144-L323 HydrophobicContact CB-CD2 3.94Å
324T28.6Very low30.2Very low101 Ų101119.6 Ų119.662%0.6259%0.592SS**SBendtrans-99.6110.9178.445.10000110.9L322L322-T324 VanDerWaalsContact C-N 3.35Å
325D27.5Very low29.7Very low119 Ų119125.1 Ų125.164%0.63662%0.616SS**  trans108.967.7160-61.5-27.4000121.1R143R143-D325 IonicContact NH2-OD1 2.71Å
326Y30Very low29.3Very low168 Ų168124.5 Ų124.566%0.65962%0.615SS**  trans-138.4148.3153.9-68.6-78.3000114.6R143R143-Y326 VanDerWaalsContact CZ-O 3.25Å; R143-Y326 PolarHBondContact NE-O 3.39Å; R143-Y326 PolarHBondContact NH2-O 3.33Å
327K27Very low28.6Very low207 Ų207123.4 Ų123.490%0.962%0.619SS**  trans-98144.9-177.5-89.8179.1176.4174.40111.6
328F28.7Very low28.2Very low142 Ų142130.5 Ų130.562%0.62364%0.638SS**  trans-76145.5-166-57.9-96.9000116.1D142 R143D142-F328 HydrophobicContact CB-CD1 3.42Å; D142-F328 VanDerWaalsContact CB-CD1 3.42Å; D142-F328 HydrophobicContact CB-CE1 3.62Å; D142-F328 HydrophobicContact CB-CG 4.35Å; D142-F328 WeakPolarHBondContact OD2-CA 3.4Å; D142-F328 VanDerWaalsContact OD2-CB 3.32Å; D142-F328 WeakPolarHBondContact OD2-CB 3.22Å; D142-F328 WeakPolarHBondContact OD2-CD1 2.98Å; R143-F328 HydrophobicContact CG-CZ 4.46Å
329R25.2Very low27.9Very low216 Ų216132.9 Ų132.982%0.81565%0.65SS**  trans-145127.8157.2-81.5-168.8-179.1-169.61.4110.5D142 I331D142-R329 PolarHBondContact OD2-N 3.45Å; R329-I331 PolarHBondContact O-N 2.85Å
330K25.8Very low27.3Very low195 Ų195135.3 Ų135.385%0.84867%0.671SS**  trans-70.8120.6169.8-175.9-179.6179.4-177.40109.5
331I26.4Very low27.1Very low131 Ų131142.6 Ų142.667%0.67269%0.687SS**  trans-119.4112.7168.1-52.5178.6000107.4R329 I333R329-I331 PolarHBondContact O-N 2.85Å; I331-I333 HydrophobicContact CG2-CD1 4.15Å; I331-I333 HydrophobicContact CG2-CG1 3.59Å
332T24.6Very low26.9Very low105 Ų105146.5 Ų146.564%0.64469%0.693SS**  trans-93.1114.7165.1-54.30000106.4
333I27.5Very low26.6Very low120 Ų120148.5 Ų148.562%0.61571%0.71SS**  trans-103102.8172.1-53-178.1000107.3I331 M335I331-I333 HydrophobicContact CG2-CD1 4.15Å; I331-I333 HydrophobicContact CG2-CG1 3.59Å; I333-M335 HydrophobicContact CG2-CG 3.76Å; I333-M335 PolarHBondContact O-N 2.94Å
334E22.9Very low26.5Very low161 Ų161154.1 Ų154.175%0.75273%0.725SS**  trans-82.494161.2-77.1-174.8170.300107.9H336E334-H336 PolarHBondContact O-N 3.17Å
335M26.2Very low26.7Very low125 Ų125158 Ų15862%0.61674%0.736SS**  trans-81.1103.1167.8-89.8-176.876.600109L132 I333 C337L132-M335 HydrophobicContact CD1-SD 4.47Å; I333-M335 HydrophobicContact CG2-CG 3.76Å; I333-M335 PolarHBondContact O-N 2.94Å; M335-C337 PolarHBondContact O-N 2.84Å
336H24.9Very low27.2Very low135 Ų135164.8 Ų164.863%0.62576%0.764SS**  trans-69.2105.1154.1-79.163.8000107.3E334 Y338E334-H336 PolarHBondContact O-N 3.17Å; H336-Y338 HydrophobicContact CB-CD2 3.87Å; H336-Y338 HydrophobicContact CB-CE2 3.68Å; H336-Y338 PolarHBondContact O-N 3.41Å
337C25.5Very low27.1Very low82 Ų82164.7 Ų164.755%0.55477%0.769SS**  trans-64.486.7166.7-800000109.3M335 L339M335-C337 PolarHBondContact O-N 2.84Å; C337-L339 PolarHBondContact O-N 3.14Å
338Y24.7Very low27.1Very low190 Ų190162.4 Ų162.475%0.74576%0.762SS**  trans-76.496.7160.1-76.6-81.8000107.9H336 V340H336-Y338 HydrophobicContact CB-CD2 3.87Å; H336-Y338 HydrophobicContact CB-CE2 3.68Å; H336-Y338 PolarHBondContact O-N 3.41Å; Y338-V340 VanDerWaalsContact C-N 3.29Å; Y338-V340 PolarHBondContact O-N 2.81Å
339L25Very low27Very low159 Ų159163.6 Ų163.683%0.83277%0.77SS**  trans-64.195.9158.3-126.9142.6000106.4C337 R341C337-L339 PolarHBondContact O-N 3.14Å; L339-R341 PolarHBondContact O-N 3.34Å
340V24.1Very low27.1Very low136 Ų136160.5 Ų160.582%0.82477%0.767SS**  trans-66.7100.2176.6178.10000107.9Y338Y338-V340 VanDerWaalsContact C-N 3.29Å; Y338-V340 PolarHBondContact O-N 2.81Å
341R25Very low27.1Very low230 Ų230158.3 Ų158.387%0.86876%0.762SS**  trans-111.8131.8162.8-121.5-179.1-178.4177.12.6107.9L339L339-R341 PolarHBondContact O-N 3.34Å
342K25.7Very low27.2Very low164 Ų164160.1 Ų160.171%0.71377%0.768SS**  trans92.490.5156.7-143.1176-166.6171.90116.8R344K342-R344 HydrophobicContact CD-CG 4.48Å; K342-R344 HydrophobicContact CG-CG 4.33Å
343V28.8Very low27.4Very low148 Ų148164.1 Ų164.190%0.89778%0.777SS**  trans-85.7115.7143.7-179.50000106.4
344R32.7Very low27.4Very low203 Ų203167.5 Ų167.577%0.76679%0.789SS**  trans-73.8140.8169.5-83.4176.3165.1163.6-3.2108.5K342K342-R344 HydrophobicContact CD-CG 4.48Å; K342-R344 HydrophobicContact CG-CG 4.33Å
345H31.8Very low27.8Very low182 Ų182168 Ų16884%0.84379%0.792SS**  trans-52.9135.8164.9-81.1-83.4000112.1
346E38.7Very low27.9Very low262 Ų262171.9 Ų171.9100%1.22481%0.808SS**  -107.30123-78.8-174.7167.700108.1

Retrieved 346 of 346 residues in 153.9 ms (Link to these results)

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