A0A077ZBK9_TRITR Loading...

Vacuolar-sorting protein SNF8

AlphaFold DB , UniProt , Accession A0A077ZBK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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
1M62.3Low80.5Confident181 Ų181109.3 Ų109.389%0.89251%0.507SS*.  0-43.20-64.7-50.7-80.700113.5V3 F4 R5M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.88Å; M1-F4 PolarHBondContact O-N 2.81Å; M1-R5 PolarHBondContact O-N 3.35Å
2E76.4Confident80.9Confident170 Ų170100.2 Ų100.279%0.79446%0.464SS*.Hα-helixtrans-58.1-37.6-177.6-62.7-172.9151.800115F4 R5 K6E2-F4 PolarHBondContact O-N 3.04Å; E2-R5 PolarHBondContact O-N 3.28Å; E2-K6 WeakPolarHBondContact O-CB 3.38Å; E2-K6 PolarHBondContact O-N 2.82Å
3V82.6Confident81.3Confident99 Ų9996.8 Ų96.860%0.647%0.465SS*.Hα-helixtrans-61.5-42.4179.1-179.70000111.8M1 K6 R7M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 2.88Å; V3-K6 PolarHBondContact O-N 2.97Å; V3-R7 WeakPolarHBondContact O-CG 3.39Å; V3-R7 PolarHBondContact O-N 3.17Å
4F79.9Confident81.8Confident90 Ų90101.4 Ų101.440%0.39548%0.482SS..Hα-helixtrans-67.5-43.7178.4-171.8-91.8000110.9M1 E2 K6 R7 L8 I36M1-F4 PolarHBondContact O-N 2.81Å; E2-F4 PolarHBondContact O-N 3.04Å; F4-K6 VanDerWaalsContact C-N 3.35Å; F4-K6 PolarHBondContact O-N 3.39Å; F4-R7 WeakPolarHBondContact O-CB 3.38Å; F4-R7 PolarHBondContact O-N 2.66Å; F4-R7 VanDerWaalsContact O-N 3.17Å; F4-L8 WeakPolarHBondContact O-CB 2.99Å; F4-L8 PolarHBondContact O-N 3.04Å; F4-I36 HydrophobicContact CD1-CD1 3.75Å; F4-I36 HydrophobicContact CD1-CG2 3.91Å; F4-I36 HydrophobicContact CE1-CB 4.43Å; F4-I36 HydrophobicContact CE1-CD1 3.73Å; F4-I36 HydrophobicContact CE1-CG1 4.31Å; F4-I36 HydrophobicContact CE1-CG2 3.52Å; F4-I36 HydrophobicContact CZ-CG2 4.22Å
5R76.3Confident82.2Confident126 Ų12698.7 Ų98.748%0.47547%0.467SS..Hα-helixtrans-56-48.8173.8-178179.9174.2162.96111.2M1 E2 R7 L8 E9M1-R5 PolarHBondContact O-N 3.35Å; E2-R5 PolarHBondContact O-N 3.28Å; R5-R7 VanDerWaalsContact C-N 3.31Å; R5-R7 PolarHBondContact O-N 3.13Å; R5-L8 WeakPolarHBondContact O-CB 3.36Å; R5-L8 PolarHBondContact O-N 3.35Å; R5-L8 VanDerWaalsContact O-N 3.14Å; R5-E9 HydrophobicContact CG-CG 4.42Å; R5-E9 IonicContact CZ-OE1 3.94Å; R5-E9 IonicContact NE-OE1 3.08Å; R5-E9 PolarHBondContact NE-OE1 2.69Å; R5-E9 VanDerWaalsContact NE-OE1 3.08Å; R5-E9 IonicContact NH2-OE1 3.91Å; R5-E9 VanDerWaalsContact O-CG 3.3Å; R5-E9 WeakPolarHBondContact O-CG 3.38Å; R5-E9 PolarHBondContact O-N 2.86Å
6K82.2Confident82.4Confident150 Ų15095.7 Ų95.765%0.65245%0.453SS*.Hα-helixtrans-61.6-37.5178.4-169.3172.4-177.5175.80112.6E2 V3 F4 T10E2-K6 WeakPolarHBondContact O-CB 3.38Å; E2-K6 PolarHBondContact O-N 2.82Å; V3-K6 PolarHBondContact O-N 2.97Å; F4-K6 VanDerWaalsContact C-N 3.35Å; F4-K6 PolarHBondContact O-N 3.39Å; K6-T10 WeakPolarHBondContact O-CB 3.42Å; K6-T10 PolarHBondContact O-N 3.17Å; K6-T10 PolarHBondContact O-OG1 2.83Å
7R85.3Confident82.5Confident177 Ų17799.1 Ų99.167%0.66847%0.465SS*.Hα-helixtrans-66.8-42173.7-74178.2-177.5-170.71.5111.8V3 F4 R5 T10 F11V3-R7 WeakPolarHBondContact O-CG 3.39Å; V3-R7 PolarHBondContact O-N 3.17Å; F4-R7 WeakPolarHBondContact O-CB 3.38Å; F4-R7 PolarHBondContact O-N 2.66Å; F4-R7 VanDerWaalsContact O-N 3.17Å; R5-R7 VanDerWaalsContact C-N 3.31Å; R5-R7 PolarHBondContact O-N 3.13Å; R7-T10 WeakPolarHBondContact O-CB 3.4Å; R7-T10 PolarHBondContact O-N 2.82Å; R7-F11 WeakPolarHBondContact O-CB 3.32Å; R7-F11 PolarHBondContact O-N 2.98Å
8L83.9Confident82.6Confident7 Ų797.9 Ų97.94%0.03746%0.463CS..Hα-helixtrans-64.1-41.9177.1-174.565.4000111.4F4 R5 F11 A12 F29 M32 I36 W48F4-L8 WeakPolarHBondContact O-CB 2.99Å; F4-L8 PolarHBondContact O-N 3.04Å; R5-L8 WeakPolarHBondContact O-CB 3.36Å; R5-L8 PolarHBondContact O-N 3.35Å; R5-L8 VanDerWaalsContact O-N 3.14Å; L8-F11 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-CB 3.28Å; L8-A12 WeakPolarHBondContact O-CB 3.37Å; L8-A12 PolarHBondContact O-N 3.25Å; L8-F29 HydrophobicContact CD1-CE2 3.75Å; L8-F29 HydrophobicContact CD1-CZ 4.29Å; L8-F29 HydrophobicContact CG-CE2 4.45Å; L8-M32 HydrophobicContact CD1-CE 3.24Å; L8-M32 HydrophobicContact CD1-CG 4.36Å; L8-M32 HydrophobicContact CD1-SD 4.08Å; L8-I36 HydrophobicContact CD2-CD1 3.65Å; L8-W48 HydrophobicContact CD2-CH2 4.31Å; L8-W48 HydrophobicContact CD2-CZ2 4.03Å; L8-W48 HydrophobicContact CG-CH2 3.96Å; L8-W48 HydrophobicContact CG-CZ2 4.11Å
9E82.6Confident82.6Confident42 Ų4292.9 Ų92.920%0.19644%0.439CS..Hα-helixtrans-61.6-45172.5-68.2-178.3-176.800110.9R5 F11 A12 A13 F47 W48R5-E9 HydrophobicContact CG-CG 4.42Å; R5-E9 IonicContact CZ-OE1 3.94Å; R5-E9 IonicContact NE-OE1 3.08Å; R5-E9 PolarHBondContact NE-OE1 2.69Å; R5-E9 VanDerWaalsContact NE-OE1 3.08Å; R5-E9 IonicContact NH2-OE1 3.91Å; R5-E9 VanDerWaalsContact O-CG 3.3Å; R5-E9 WeakPolarHBondContact O-CG 3.38Å; R5-E9 PolarHBondContact O-N 2.86Å; E9-F11 PolarHBondContact O-N 3.43Å; E9-A12 PolarHBondContact O-N 3.19Å; E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 2.91Å; E9-F47 HydrophobicContact CB-CD1 3.8Å; E9-F47 HydrophobicContact CB-CD2 4.07Å; E9-F47 HydrophobicContact CB-CE1 3.48Å; E9-F47 VanDerWaalsContact CB-CE1 3.48Å; E9-F47 HydrophobicContact CB-CE2 3.82Å; E9-F47 HydrophobicContact CB-CG 4.09Å; E9-F47 HydrophobicContact CB-CZ 3.56Å; E9-F47 HydrophobicContact CG-CB 4.33Å; E9-F47 HydrophobicContact CG-CD1 3.41Å; E9-F47 VanDerWaalsContact CG-CD1 3.41Å; E9-F47 HydrophobicContact CG-CD2 4.14Å; E9-F47 HydrophobicContact CG-CE1 3.63Å; E9-F47 HydrophobicContact CG-CE2 4.37Å; E9-F47 HydrophobicContact CG-CG 3.7Å; E9-F47 HydrophobicContact CG-CZ 4.17Å; E9-F47 WeakPolarHBondContact O-CZ 3.34Å; E9-W48 HydrophobicContact CG-CZ2 4.32Å
10T86.3Confident82.3Confident92 Ų9293.7 Ų93.756%0.56444%0.437SS*.Hα-helixtrans-62.5-43176.6-54.70000112.2K6 R7 K14K6-T10 WeakPolarHBondContact O-CB 3.42Å; K6-T10 PolarHBondContact O-N 3.17Å; K6-T10 PolarHBondContact O-OG1 2.83Å; R7-T10 WeakPolarHBondContact O-CB 3.4Å; R7-T10 PolarHBondContact O-N 2.82Å; T10-K14 WeakPolarHBondContact O-CB 3.44Å; T10-K14 PolarHBondContact O-N 2.81Å
11F87.6Confident82.1Confident68 Ų6897.5 Ų97.530%0.29845%0.453SS..Hα-helixtrans-59.4-50.4175.3178.8-87000110.5R7 L8 E9 A13 K14 F15 F25 F29 M32R7-F11 WeakPolarHBondContact O-CB 3.32Å; R7-F11 PolarHBondContact O-N 2.98Å; L8-F11 PolarHBondContact O-N 3.35Å; E9-F11 PolarHBondContact O-N 3.43Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 2.93Å; F11-K14 PolarHBondContact O-N 2.74Å; F11-K14 VanDerWaalsContact O-N 3.1Å; F11-F15 HydrophobicContact CD1-CD2 4.09Å; F11-F15 AromaticContact CD2-CD2 3.57Å; F11-F15 HydrophobicContact CD2-CD2 3.57Å; F11-F15 AromaticContact CD2-CE2 3.56Å; F11-F15 HydrophobicContact CD2-CE2 3.56Å; F11-F15 HydrophobicContact CE1-CB 4.49Å; F11-F15 AromaticContact CE1-CD2 3.97Å; F11-F15 HydrophobicContact CE1-CD2 3.97Å; F11-F15 AromaticContact CE2-CD2 3.45Å; F11-F15 HydrophobicContact CE2-CD2 3.45Å; F11-F15 VanDerWaalsContact CE2-CD2 3.45Å; F11-F15 AromaticContact CE2-CE2 3.41Å; F11-F15 HydrophobicContact CE2-CE2 3.41Å; F11-F15 VanDerWaalsContact CE2-CE2 3.41Å; F11-F15 HydrophobicContact CE2-CG 4.48Å; F11-F15 HydrophobicContact CE2-CZ 4.4Å; F11-F15 AromaticContact CG-CD2 3.9Å; F11-F15 HydrophobicContact CG-CD2 3.9Å; F11-F15 HydrophobicContact CG-CE2 4.31Å; F11-F15 AromaticContact CZ-CD2 3.67Å; F11-F15 HydrophobicContact CZ-CD2 3.67Å; F11-F15 HydrophobicContact CZ-CE2 4.06Å; F11-F15 HydrophobicContact CZ-CG 4.34Å; F11-F15 VanDerWaalsContact O-CD2 3.28Å; F11-F15 WeakPolarHBondContact O-CD2 3.13Å; F11-F15 PolarHBondContact O-N 3.4Å; F11-F25 AromaticContact CE1-CZ 3.9Å; F11-F25 HydrophobicContact CE1-CZ 3.9Å; F11-F25 HydrophobicContact CZ-CE2 4.16Å; F11-F25 AromaticContact CZ-CZ 3.66Å; F11-F25 HydrophobicContact CZ-CZ 3.66Å; F11-F29 AromaticContact CD1-CD2 3.9Å; F11-F29 HydrophobicContact CD1-CD2 3.9Å; F11-F29 AromaticContact CD1-CE2 3.9Å; F11-F29 HydrophobicContact CD1-CE2 3.9Å; F11-F29 AromaticContact CE1-CD2 3.77Å; F11-F29 HydrophobicContact CE1-CD2 3.77Å; F11-F29 HydrophobicContact CE1-CE2 4.26Å; F11-M32 HydrophobicContact CD1-CE 4.19Å; F11-M32 HydrophobicContact CE1-CE 4.19Å
12A85.9Confident83Confident0 Ų092.2 Ų92.20%043%0.428CS..Hα-helixtrans-68-33.1-17600000112.7L8 E9 H16 I19 F29 F47 W48 L52L8-A12 VanDerWaalsContact O-CB 3.28Å; L8-A12 WeakPolarHBondContact O-CB 3.37Å; L8-A12 PolarHBondContact O-N 3.25Å; E9-A12 PolarHBondContact O-N 3.19Å; A12-H16 VanDerWaalsContact O-CA 3.26Å; A12-H16 WeakPolarHBondContact O-CA 3.35Å; A12-H16 WeakPolarHBondContact O-CB 3.1Å; A12-H16 PolarHBondContact O-N 2.9Å; A12-I19 HydrophobicContact CB-CD1 4.09Å; A12-F29 HydrophobicContact CB-CE2 3.72Å; A12-F29 HydrophobicContact CB-CZ 3.6Å; A12-F47 HydrophobicContact CB-CE1 4.42Å; A12-W48 HydrophobicContact CB-CH2 3.76Å; A12-W48 HydrophobicContact CB-CZ3 3.49Å; A12-W48 VanDerWaalsContact CB-CZ3 3.49Å; A12-L52 HydrophobicContact CB-CD1 3.34Å; A12-L52 HydrophobicContact CB-CD2 4.47Å; A12-L52 VanDerWaalsContact O-CD2 3.3Å; A12-L52 WeakPolarHBondContact O-CD2 3.17Å
13A85.2Confident83Confident57 Ų5785 Ų8547%0.47140%0.396SS..Hα-helixtrans-64.9-40.8169.900000112.6E9 F11 F47 L52E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 2.91Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 2.93Å; A13-F47 HydrophobicContact CB-CZ 4.2Å; A13-L52 HydrophobicContact CB-CD2 4.48Å
14K89.6Confident82.9Confident161 Ų16184.5 Ų84.570%0.739%0.393SS*.Hα-helixtrans-68.2-42.4179.9-176.5176.8177.4-178.70112.2T10 F11T10-K14 WeakPolarHBondContact O-CB 3.44Å; T10-K14 PolarHBondContact O-N 2.81Å; F11-K14 PolarHBondContact O-N 2.74Å; F11-K14 VanDerWaalsContact O-N 3.1Å
15F87.6Confident83.2Confident60 Ų6082.4 Ų82.426%0.26338%0.384SS..THydrogen-bonded Turntrans-103.319.8-175.3-60.9-76000113.1F11 K17 D18 I19 F25F11-F15 HydrophobicContact CD1-CD2 4.09Å; F11-F15 AromaticContact CD2-CD2 3.57Å; F11-F15 HydrophobicContact CD2-CD2 3.57Å; F11-F15 AromaticContact CD2-CE2 3.56Å; F11-F15 HydrophobicContact CD2-CE2 3.56Å; F11-F15 HydrophobicContact CE1-CB 4.49Å; F11-F15 AromaticContact CE1-CD2 3.97Å; F11-F15 HydrophobicContact CE1-CD2 3.97Å; F11-F15 AromaticContact CE2-CD2 3.45Å; F11-F15 HydrophobicContact CE2-CD2 3.45Å; F11-F15 VanDerWaalsContact CE2-CD2 3.45Å; F11-F15 AromaticContact CE2-CE2 3.41Å; F11-F15 HydrophobicContact CE2-CE2 3.41Å; F11-F15 VanDerWaalsContact CE2-CE2 3.41Å; F11-F15 HydrophobicContact CE2-CG 4.48Å; F11-F15 HydrophobicContact CE2-CZ 4.4Å; F11-F15 AromaticContact CG-CD2 3.9Å; F11-F15 HydrophobicContact CG-CD2 3.9Å; F11-F15 HydrophobicContact CG-CE2 4.31Å; F11-F15 AromaticContact CZ-CD2 3.67Å; F11-F15 HydrophobicContact CZ-CD2 3.67Å; F11-F15 HydrophobicContact CZ-CE2 4.06Å; F11-F15 HydrophobicContact CZ-CG 4.34Å; F11-F15 VanDerWaalsContact O-CD2 3.28Å; F11-F15 WeakPolarHBondContact O-CD2 3.13Å; F11-F15 PolarHBondContact O-N 3.4Å; F15-K17 VanDerWaalsContact C-N 3.29Å; F15-K17 PolarHBondContact O-N 3.08Å; F15-D18 PolarHBondContact O-N 2.81Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 2.67Å; F15-F25 HydrophobicContact CB-CE1 3.74Å; F15-F25 HydrophobicContact CB-CZ 3.88Å; F15-F25 HydrophobicContact CD1-CZ 4.43Å; F15-F25 HydrophobicContact CG-CE1 4.45Å; F15-F25 HydrophobicContact CG-CZ 4.11Å
16H84.5Confident83.5Confident51 Ų5176.9 Ų76.924%0.23636%0.363CS..Hα-helixtrans-51.6-45-175.6173-100.1000113.5A12 D18 I19 R20 L52A12-H16 VanDerWaalsContact O-CA 3.26Å; A12-H16 WeakPolarHBondContact O-CA 3.35Å; A12-H16 WeakPolarHBondContact O-CB 3.1Å; A12-H16 PolarHBondContact O-N 2.9Å; H16-D18 VanDerWaalsContact C-N 3.33Å; H16-D18 PolarHBondContact O-N 3.36Å; H16-I19 PolarHBondContact O-N 2.73Å; H16-R20 PolarHBondContact O-N 2.98Å; H16-L52 HydrophobicContact CB-CD2 4.03Å; H16-L52 PolarHBondContact CD2-O 3.44Å; H16-L52 VanDerWaalsContact CD2-O 3.25Å; H16-L52 PolarHBondContact NE2-O 2.82Å
17K83.7Confident83.5Confident153 Ų15373.1 Ų73.167%0.66535%0.347SS*.Hα-helixtrans-65.2-38.5179.9-68.2-177.9-179.1176.90111.9F15 R20 K21F15-K17 VanDerWaalsContact C-N 3.29Å; F15-K17 PolarHBondContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 3.24Å; K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 WeakPolarHBondContact O-CG 3.46Å; K17-K21 PolarHBondContact O-N 3.43Å
18D85.3Confident83.5Confident79 Ų7970.2 Ų70.242%0.42234%0.341SS..Hα-helixtrans-70.6-43.4179.7-53.1-48.4000110F15 H16 R20 K21 D22 F25F15-D18 PolarHBondContact O-N 2.81Å; H16-D18 VanDerWaalsContact C-N 3.33Å; H16-D18 PolarHBondContact O-N 3.36Å; D18-R20 PolarHBondContact O-N 3.33Å; D18-K21 PolarHBondContact O-N 3.45Å; D18-D22 WeakPolarHBondContact O-CB 3.41Å; D18-D22 PolarHBondContact O-N 3.2Å; D18-F25 HydrophobicContact CB-CD1 3.74Å; D18-F25 HydrophobicContact CB-CE1 3.74Å
19I82.8Confident83.6Confident3 Ų370 Ų702%0.01534%0.34CS..Hα-helixtrans-61.5-30.7173.7-56.2166.8000111.1A12 F15 H16 F25 R26 F29 F54A12-I19 HydrophobicContact CB-CD1 4.09Å; F15-I19 WeakPolarHBondContact O-CG1 3.43Å; F15-I19 PolarHBondContact O-N 2.67Å; H16-I19 PolarHBondContact O-N 2.73Å; I19-F25 HydrophobicContact CB-CD1 4.41Å; I19-F25 HydrophobicContact CG1-CD1 3.8Å; I19-F25 HydrophobicContact CG1-CE1 3.5Å; I19-F25 VanDerWaalsContact CG1-CE1 3.5Å; I19-R26 HydrophobicContact CG2-CB 4.07Å; I19-R26 HydrophobicContact CG2-CG 3.99Å; I19-R26 VanDerWaalsContact O-CB 3.32Å; I19-R26 WeakPolarHBondContact O-CB 3.48Å; I19-R26 WeakPolarHBondContact O-CD 3.41Å; I19-R26 PolarHBondContact O-NH1 3.26Å; I19-R26 VanDerWaalsContact O-NH1 3.13Å; I19-F29 HydrophobicContact CD1-CB 4.47Å; I19-F29 HydrophobicContact CD1-CD1 3.92Å; I19-F29 HydrophobicContact CD1-CD2 3.78Å; I19-F29 HydrophobicContact CD1-CE1 4.16Å; I19-F29 HydrophobicContact CD1-CE2 4.02Å; I19-F29 HydrophobicContact CD1-CG 3.74Å; I19-F29 HydrophobicContact CD1-CZ 4.22Å; I19-F29 HydrophobicContact CG1-CB 4.34Å; I19-F29 HydrophobicContact CG1-CD1 4.43Å; I19-F29 HydrophobicContact CG1-CD2 4.47Å; I19-F29 HydrophobicContact CG1-CG 4.12Å; I19-F29 HydrophobicContact CG2-CD1 4.05Å; I19-F29 HydrophobicContact CG2-CG 4.41Å; I19-F54 HydrophobicContact CB-CZ 4.34Å; I19-F54 HydrophobicContact CD1-CZ 4.26Å; I19-F54 HydrophobicContact CG2-CE1 3.76Å; I19-F54 HydrophobicContact CG2-CE2 4.3Å; I19-F54 HydrophobicContact CG2-CZ 3.34Å
20R76.3Confident83.6Confident107 Ų10768.7 Ų68.740%0.40433%0.333SS..Hα-helixtrans-78.3-40.6177.7-168174.8-175.3175.24.2112.9H16 K17 D18 R26 E60H16-R20 PolarHBondContact O-N 2.98Å; K17-R20 PolarHBondContact O-N 3.24Å; D18-R20 PolarHBondContact O-N 3.33Å; R20-R26 PolarHBondContact O-NH1 3.37Å; R20-E60 IonicContact NH2-OE1 2.79Å; R20-E60 PolarHBondContact NH2-OE1 3.31Å; R20-E60 IonicContact NH2-OE2 2.82Å
21K79Confident83.5Confident174 Ų17467.5 Ų67.576%0.75732%0.324SS*.Hα-helixtrans-88.1-36.4-171.6-73-175.4175.2-169.80113.4K17 D18 P23K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 WeakPolarHBondContact O-CG 3.46Å; K17-K21 PolarHBondContact O-N 3.43Å; D18-K21 PolarHBondContact O-N 3.45Å; K21-P23 WeakPolarHBondContact O-CD 3.36Å
22D80.5Confident83.4Confident71 Ų7167.3 Ų67.338%0.3832%0.324SS..  trans-100.7110.8-175-178.8-13000110.3D18 V24 F25 R26D18-D22 WeakPolarHBondContact O-CB 3.41Å; D18-D22 PolarHBondContact O-N 3.2Å; D22-V24 VanDerWaalsContact C-N 3.3Å; D22-V24 PolarHBondContact O-N 2.81Å; D22-V24 WeakPolarHBondContact OD1-CA 3.46Å; D22-V24 WeakPolarHBondContact OD1-CB 3.35Å; D22-V24 PolarHBondContact OD1-N 3.37Å; D22-F25 HydrophobicContact CB-CB 3.78Å; D22-F25 PolarHBondContact O-N 3.06Å; D22-F25 PolarHBondContact OD1-N 2.81Å; D22-F25 VanDerWaalsContact OD1-N 3.09Å; D22-R26 VanDerWaalsContact O-CB 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.3Å; D22-R26 PolarHBondContact O-N 3.12Å
23P76.1Confident83.3Confident18 Ų1867.3 Ų67.312%0.11732%0.324CS..Hα-helixtrans-65.4-31.4178.828-34.8000113K21 K27 E100K21-P23 WeakPolarHBondContact O-CD 3.36Å; P23-K27 WeakPolarHBondContact O-CB 3.46Å; P23-K27 PolarHBondContact O-N 3.29Å; P23-E100 VanDerWaalsContact CA-OE1 3.3Å; P23-E100 WeakPolarHBondContact CA-OE1 3.05Å; P23-E100 WeakPolarHBondContact CB-OE1 3.45Å
24V81.5Confident83.2Confident89 Ų8967.7 Ų67.754%0.53933%0.328SS..Hα-helixtrans-70.9-48178.6-179.80000109.7D22 R26 K27 Q28D22-V24 VanDerWaalsContact C-N 3.3Å; D22-V24 PolarHBondContact O-N 2.81Å; D22-V24 WeakPolarHBondContact OD1-CA 3.46Å; D22-V24 WeakPolarHBondContact OD1-CB 3.35Å; D22-V24 PolarHBondContact OD1-N 3.37Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.93Å; V24-K27 PolarHBondContact O-N 3.28Å; V24-Q28 WeakPolarHBondContact O-CG 3.42Å; V24-Q28 PolarHBondContact O-N 3.32Å
25F84.6Confident82.8Confident45 Ų4565.6 Ų65.620%0.19733%0.329CS..Hα-helixtrans-63.3-39.9176.3-174.1-110.5000111.8F11 F15 D18 I19 D22 K27 Q28 F29F11-F25 AromaticContact CE1-CZ 3.9Å; F11-F25 HydrophobicContact CE1-CZ 3.9Å; F11-F25 HydrophobicContact CZ-CE2 4.16Å; F11-F25 AromaticContact CZ-CZ 3.66Å; F11-F25 HydrophobicContact CZ-CZ 3.66Å; F15-F25 HydrophobicContact CB-CE1 3.74Å; F15-F25 HydrophobicContact CB-CZ 3.88Å; F15-F25 HydrophobicContact CD1-CZ 4.43Å; F15-F25 HydrophobicContact CG-CE1 4.45Å; F15-F25 HydrophobicContact CG-CZ 4.11Å; D18-F25 HydrophobicContact CB-CD1 3.74Å; D18-F25 HydrophobicContact CB-CE1 3.74Å; I19-F25 HydrophobicContact CB-CD1 4.41Å; I19-F25 HydrophobicContact CG1-CD1 3.8Å; I19-F25 HydrophobicContact CG1-CE1 3.5Å; I19-F25 VanDerWaalsContact CG1-CE1 3.5Å; D22-F25 HydrophobicContact CB-CB 3.78Å; D22-F25 PolarHBondContact O-N 3.06Å; D22-F25 PolarHBondContact OD1-N 2.81Å; D22-F25 VanDerWaalsContact OD1-N 3.09Å; F25-K27 PolarHBondContact O-N 3.08Å; F25-Q28 PolarHBondContact O-N 2.97Å; F25-F29 WeakPolarHBondContact O-CB 3.41Å; F25-F29 PolarHBondContact O-N 2.75Å
26R84.2Confident82.5Confident10 Ų1064.9 Ų64.94%0.03833%0.327CS..Hα-helixtrans-58.6-45.9172.9179.2160.442.1-134.1-11.3112.6I19 R20 D22 V24 F29 L30 F57 E100I19-R26 HydrophobicContact CG2-CB 4.07Å; I19-R26 HydrophobicContact CG2-CG 3.99Å; I19-R26 VanDerWaalsContact O-CB 3.32Å; I19-R26 WeakPolarHBondContact O-CB 3.48Å; I19-R26 WeakPolarHBondContact O-CD 3.41Å; I19-R26 PolarHBondContact O-NH1 3.26Å; I19-R26 VanDerWaalsContact O-NH1 3.13Å; R20-R26 PolarHBondContact O-NH1 3.37Å; D22-R26 VanDerWaalsContact O-CB 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.3Å; D22-R26 PolarHBondContact O-N 3.12Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.93Å; R26-F29 WeakPolarHBondContact O-CB 3.37Å; R26-F29 PolarHBondContact O-N 3.03Å; R26-L30 HydrophobicContact CG-CD1 3.67Å; R26-L30 HydrophobicContact CG-CG 4.47Å; R26-L30 WeakPolarHBondContact O-CD1 3.43Å; R26-L30 VanDerWaalsContact O-CG 3.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3.06Å; R26-F57 VanDerWaalsContact NH1-CE2 3.28Å; R26-E100 IonicContact CZ-OE1 2.82Å; R26-E100 IonicContact NE-OE1 3.9Å; R26-E100 PolarHBondContact NE-OE1 2.86Å; R26-E100 IonicContact NH2-OE1 2.66Å; R26-E100 PolarHBondContact NH2-OE1 3.2Å
27K81.9Confident82.2Confident72 Ų7265.9 Ų65.931%0.31335%0.351SS..Hα-helixtrans-58.9-50.2176.6178.4-178.7173.6178.40111.1P23 V24 F25 F29 L30 D31 D99P23-K27 WeakPolarHBondContact O-CB 3.46Å; P23-K27 PolarHBondContact O-N 3.29Å; V24-K27 PolarHBondContact O-N 3.28Å; F25-K27 PolarHBondContact O-N 3.08Å; K27-F29 VanDerWaalsContact C-N 3.27Å; K27-F29 PolarHBondContact O-N 3.2Å; K27-L30 PolarHBondContact O-N 3.15Å; K27-L30 VanDerWaalsContact O-N 3.12Å; K27-D31 PolarHBondContact O-N 3.42Å; K27-D99 HydrophobicContact CD-CB 4.45Å; K27-D99 WeakPolarHBondContact CE-OD2 3.3Å; K27-D99 IonicContact NZ-OD2 3.35Å; K27-D99 PolarHBondContact NZ-OD2 2.96Å
28Q85Confident82Confident115 Ų11560.1 Ų60.154%0.53733%0.329SS..Hα-helixtrans-58.8-40.5177.7-69.6174.5-600112.1V24 F25 D31 M32V24-Q28 WeakPolarHBondContact O-CG 3.42Å; V24-Q28 PolarHBondContact O-N 3.32Å; F25-Q28 PolarHBondContact O-N 2.97Å; Q28-D31 PolarHBondContact O-N 3.21Å; Q28-M32 WeakPolarHBondContact O-CB 3.49Å; Q28-M32 PolarHBondContact O-N 2.82Å
29F86.1Confident81.4Confident4 Ų460.2 Ų60.22%0.01833%0.329CS..Hα-helixtrans-62.4-42.8176176.2-98.3000112.3L8 F11 A12 I19 F25 R26 K27 M32 C33 P40 W48 F54L8-F29 HydrophobicContact CD1-CE2 3.75Å; L8-F29 HydrophobicContact CD1-CZ 4.29Å; L8-F29 HydrophobicContact CG-CE2 4.45Å; F11-F29 AromaticContact CD1-CD2 3.9Å; F11-F29 HydrophobicContact CD1-CD2 3.9Å; F11-F29 AromaticContact CD1-CE2 3.9Å; F11-F29 HydrophobicContact CD1-CE2 3.9Å; F11-F29 AromaticContact CE1-CD2 3.77Å; F11-F29 HydrophobicContact CE1-CD2 3.77Å; F11-F29 HydrophobicContact CE1-CE2 4.26Å; A12-F29 HydrophobicContact CB-CE2 3.72Å; A12-F29 HydrophobicContact CB-CZ 3.6Å; I19-F29 HydrophobicContact CD1-CB 4.47Å; I19-F29 HydrophobicContact CD1-CD1 3.92Å; I19-F29 HydrophobicContact CD1-CD2 3.78Å; I19-F29 HydrophobicContact CD1-CE1 4.16Å; I19-F29 HydrophobicContact CD1-CE2 4.02Å; I19-F29 HydrophobicContact CD1-CG 3.74Å; I19-F29 HydrophobicContact CD1-CZ 4.22Å; I19-F29 HydrophobicContact CG1-CB 4.34Å; I19-F29 HydrophobicContact CG1-CD1 4.43Å; I19-F29 HydrophobicContact CG1-CD2 4.47Å; I19-F29 HydrophobicContact CG1-CG 4.12Å; I19-F29 HydrophobicContact CG2-CD1 4.05Å; I19-F29 HydrophobicContact CG2-CG 4.41Å; F25-F29 WeakPolarHBondContact O-CB 3.41Å; F25-F29 PolarHBondContact O-N 2.75Å; R26-F29 WeakPolarHBondContact O-CB 3.37Å; R26-F29 PolarHBondContact O-N 3.03Å; K27-F29 VanDerWaalsContact C-N 3.27Å; K27-F29 PolarHBondContact O-N 3.2Å; F29-M32 HydrophobicContact CD2-CE 3.81Å; F29-M32 HydrophobicContact CE2-CE 4.03Å; F29-M32 WeakPolarHBondContact O-CB 3.08Å; F29-M32 PolarHBondContact O-N 3.25Å; F29-C33 VanDerWaalsContact CE1-SG 3.57Å; F29-C33 WeakPolarHBondContact CZ-SG 3.35Å; F29-C33 PolarHBondContact O-N 2.91Å; F29-C33 PolarHBondContact O-SG 3.19Å; F29-P40 HydrophobicContact CE1-CG 4.32Å; F29-W48 HydrophobicContact CE1-CH2 4.3Å; F29-W48 AromaticContact CE1-CZ3 3.79Å; F29-W48 HydrophobicContact CE1-CZ3 3.79Å; F29-W48 HydrophobicContact CE2-CH2 4.4Å; F29-W48 HydrophobicContact CE2-CZ3 4.48Å; F29-W48 HydrophobicContact CZ-CE3 4.43Å; F29-W48 AromaticContact CZ-CH2 3.49Å; F29-W48 HydrophobicContact CZ-CH2 3.49Å; F29-W48 VanDerWaalsContact CZ-CH2 3.49Å; F29-W48 AromaticContact CZ-CZ3 3.34Å; F29-W48 HydrophobicContact CZ-CZ3 3.34Å; F29-F54 HydrophobicContact CD1-CE1 4.08Å; F29-F54 AromaticContact CD1-CZ 3.73Å; F29-F54 HydrophobicContact CD1-CZ 3.73Å; F29-F54 HydrophobicContact CE1-CE1 4Å; F29-F54 HydrophobicContact CE1-CE2 4.28Å; F29-F54 AromaticContact CE1-CZ 3.46Å; F29-F54 HydrophobicContact CE1-CZ 3.46Å; F29-F54 VanDerWaalsContact CE1-CZ 3.46Å; F29-F54 HydrophobicContact CZ-CZ 4.47Å
30L82.4Confident80.9Confident13 Ų1360.3 Ų60.37%0.06833%0.33CS..Hα-helixtrans-71-39.6178.7-68.3161.5000111.9R26 K27 M32 C33 A34 P40 L41 F54 Y58 H104R26-L30 HydrophobicContact CG-CD1 3.67Å; R26-L30 HydrophobicContact CG-CG 4.47Å; R26-L30 WeakPolarHBondContact O-CD1 3.43Å; R26-L30 VanDerWaalsContact O-CG 3.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3.06Å; K27-L30 PolarHBondContact O-N 3.15Å; K27-L30 VanDerWaalsContact O-N 3.12Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 2.64Å; L30-C33 WeakPolarHBondContact O-CB 3.16Å; L30-C33 PolarHBondContact O-N 3.03Å; L30-C33 VanDerWaalsContact O-N 3.09Å; L30-A34 PolarHBondContact O-N 2.84Å; L30-P40 HydrophobicContact CD2-CB 4.34Å; L30-P40 HydrophobicContact CD2-CG 4.03Å; L30-L41 HydrophobicContact CD2-CD2 4.35Å; L30-F54 HydrophobicContact CD2-CE1 4.17Å; L30-Y58 WeakPolarHBondContact CD1-OH 3.46Å; L30-H104 WeakPolarHBondContact CD1-NE2 3.21Å
31D84.1Confident80.5Confident67 Ų6757.7 Ų57.736%0.35832%0.324SS..Hα-helixtrans-58.8-43.4172.4-70.7-24.4000110K27 Q28 C33 A34 T35 R103K27-D31 PolarHBondContact O-N 3.42Å; Q28-D31 PolarHBondContact O-N 3.21Å; D31-C33 VanDerWaalsContact C-N 3.34Å; D31-C33 PolarHBondContact O-N 2.82Å; D31-A34 PolarHBondContact O-N 2.74Å; D31-T35 WeakPolarHBondContact O-CG2 3.4Å; D31-T35 PolarHBondContact O-N 3.35Å; D31-T35 VanDerWaalsContact O-N 3.08Å; D31-R103 IonicContact OD1-NH1 3.69Å
32M84.4Confident79.8Confident64 Ų6452.6 Ų52.632%0.31531%0.314SS..Hα-helixtrans-60.8-41.1173.6-179.4175.956.200112.2L8 F11 Q28 F29 L30 T35L8-M32 HydrophobicContact CD1-CE 3.24Å; L8-M32 HydrophobicContact CD1-CG 4.36Å; L8-M32 HydrophobicContact CD1-SD 4.08Å; F11-M32 HydrophobicContact CD1-CE 4.19Å; F11-M32 HydrophobicContact CE1-CE 4.19Å; Q28-M32 WeakPolarHBondContact O-CB 3.49Å; Q28-M32 PolarHBondContact O-N 2.82Å; F29-M32 HydrophobicContact CD2-CE 3.81Å; F29-M32 HydrophobicContact CE2-CE 4.03Å; F29-M32 WeakPolarHBondContact O-CB 3.08Å; F29-M32 PolarHBondContact O-N 3.25Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 2.64Å; M32-T35 PolarHBondContact O-N 3.1Å; M32-T35 PolarHBondContact O-OG1 3.12Å
33C83.8Confident79Confident0 Ų050.6 Ų50.60%031%0.306CS..Hα-helixtrans-64-42.1175.7-62.60000111.8F29 L30 D31 T35 I36 G37 V38 P40F29-C33 VanDerWaalsContact CE1-SG 3.57Å; F29-C33 WeakPolarHBondContact CZ-SG 3.35Å; F29-C33 PolarHBondContact O-N 2.91Å; F29-C33 PolarHBondContact O-SG 3.19Å; L30-C33 WeakPolarHBondContact O-CB 3.16Å; L30-C33 PolarHBondContact O-N 3.03Å; L30-C33 VanDerWaalsContact O-N 3.09Å; D31-C33 VanDerWaalsContact C-N 3.34Å; D31-C33 PolarHBondContact O-N 2.82Å; C33-T35 VanDerWaalsContact C-N 3.34Å; C33-T35 PolarHBondContact O-N 2.79Å; C33-I36 WeakPolarHBondContact O-CG1 3.24Å; C33-I36 PolarHBondContact O-N 2.91Å; C33-G37 PolarHBondContact O-N 2.76Å; C33-V38 CarbonylContact C-O 3.56Å; C33-V38 HydrophobicContact CB-CB 4.36Å; C33-V38 HydrophobicContact CB-CG1 4.36Å; C33-V38 VanDerWaalsContact CB-O 3.26Å; C33-V38 WeakPolarHBondContact CB-O 3.07Å; C33-V38 PolarHBondContact O-N 3.13Å; C33-P40 HydrophobicContact CB-CG 3.66Å; C33-P40 WeakPolarHBondContact SG-CG 2.86Å
34A83.3Confident78.2Confident66 Ų6654.2 Ų54.255%0.54533%0.331SS..Hα-helixtrans-62.7-37.7179.700000112.6L30 D31 I36 G37L30-A34 PolarHBondContact O-N 2.84Å; D31-A34 PolarHBondContact O-N 2.74Å; A34-I36 PolarHBondContact O-N 3.26Å; A34-I36 VanDerWaalsContact O-N 3.08Å; A34-G37 PolarHBondContact O-N 3.37Å
35T82.3Confident77.2Confident116 Ų11658.4 Ų58.471%0.71234%0.342SS*.Hα-helixtrans-60.4-21.3178.961.20000114.2D31 M32 C33D31-T35 WeakPolarHBondContact O-CG2 3.4Å; D31-T35 PolarHBondContact O-N 3.35Å; D31-T35 VanDerWaalsContact O-N 3.08Å; M32-T35 PolarHBondContact O-N 3.1Å; M32-T35 PolarHBondContact O-OG1 3.12Å; C33-T35 VanDerWaalsContact C-N 3.34Å; C33-T35 PolarHBondContact O-N 2.79Å
36I82Confident76.4Confident46 Ų4658 Ų5824%0.23635%0.351CS..THydrogen-bonded Turntrans-106.37.5177.263.9156.8000113.4F4 L8 C33 A34 V38F4-I36 HydrophobicContact CD1-CD1 3.75Å; F4-I36 HydrophobicContact CD1-CG2 3.91Å; F4-I36 HydrophobicContact CE1-CB 4.43Å; F4-I36 HydrophobicContact CE1-CD1 3.73Å; F4-I36 HydrophobicContact CE1-CG1 4.31Å; F4-I36 HydrophobicContact CE1-CG2 3.52Å; F4-I36 HydrophobicContact CZ-CG2 4.22Å; L8-I36 HydrophobicContact CD2-CD1 3.65Å; C33-I36 WeakPolarHBondContact O-CG1 3.24Å; C33-I36 PolarHBondContact O-N 2.91Å; A34-I36 PolarHBondContact O-N 3.26Å; A34-I36 VanDerWaalsContact O-N 3.08Å; I36-V38 VanDerWaalsContact C-N 3.26Å; I36-V38 HydrophobicContact CD1-CB 3.76Å; I36-V38 HydrophobicContact CD1-CG2 3.29Å; I36-V38 HydrophobicContact CG1-CB 3.86Å; I36-V38 HydrophobicContact CG1-CG2 3.74Å; I36-V38 PolarHBondContact O-N 2.96Å
37G77.9Confident75.8Confident72 Ų7258.8 Ų58.874%0.74236%0.355SS*.THydrogen-bonded Turntrans69.720.7-175.300000114C33 A34C33-G37 PolarHBondContact O-N 2.76Å; A34-G37 PolarHBondContact O-N 3.37Å
38V78.1Confident75.2Confident32 Ų3255.6 Ų55.619%0.19434%0.341CS..  trans-94.4123.8171.7171.70000108.2C33 I36 P40 W48C33-V38 CarbonylContact C-O 3.56Å; C33-V38 HydrophobicContact CB-CB 4.36Å; C33-V38 HydrophobicContact CB-CG1 4.36Å; C33-V38 VanDerWaalsContact CB-O 3.26Å; C33-V38 WeakPolarHBondContact CB-O 3.07Å; C33-V38 PolarHBondContact O-N 3.13Å; I36-V38 VanDerWaalsContact C-N 3.26Å; I36-V38 HydrophobicContact CD1-CB 3.76Å; I36-V38 HydrophobicContact CD1-CG2 3.29Å; I36-V38 HydrophobicContact CG1-CB 3.86Å; I36-V38 HydrophobicContact CG1-CG2 3.74Å; I36-V38 PolarHBondContact O-N 2.96Å; V38-P40 HydrophobicContact CG1-CG 4.41Å; V38-P40 WeakPolarHBondContact O-CD 3.41Å; V38-W48 HydrophobicContact CG1-CZ2 4.36Å
39D74.4Confident74.4Confident81 Ų8151.4 Ų51.443%0.43332%0.324SS..  trans-107.4102.3168.6-177.8-5.3000108.9L41 A42 S43D39-L41 PolarHBondContact O-N 2.9Å; D39-L41 VanDerWaalsContact O-N 3.14Å; D39-L41 WeakPolarHBondContact OD1-CA 3.34Å; D39-L41 WeakPolarHBondContact OD1-CB 3.37Å; D39-L41 WeakPolarHBondContact OD1-CG 3.35Å; D39-L41 PolarHBondContact OD1-N 3.2Å; D39-A42 HydrophobicContact CB-CB 3.93Å; D39-A42 PolarHBondContact OD1-N 2.8Å; D39-A42 WeakPolarHBondContact OD2-CB 3.33Å; D39-A42 PolarHBondContact OD2-N 3.39Å; D39-S43 PolarHBondContact O-N 3.34Å
40P72Confident73.6Confident5 Ų556.7 Ų56.73%0.03236%0.357CS..THydrogen-bonded Turntrans-58.8-20.9175.8-25.837.4000113.6F29 L30 C33 V38 W48 F54F29-P40 HydrophobicContact CE1-CG 4.32Å; L30-P40 HydrophobicContact CD2-CB 4.34Å; L30-P40 HydrophobicContact CD2-CG 4.03Å; C33-P40 HydrophobicContact CB-CG 3.66Å; C33-P40 WeakPolarHBondContact SG-CG 2.86Å; V38-P40 HydrophobicContact CG1-CG 4.41Å; V38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-W48 HydrophobicContact CB-CB 4.3Å; P40-W48 HydrophobicContact CB-CD2 3.8Å; P40-W48 HydrophobicContact CB-CE3 3.82Å; P40-W48 HydrophobicContact CB-CG 3.99Å; P40-W48 HydrophobicContact CG-CD2 4.22Å; P40-W48 HydrophobicContact CG-CE3 4.24Å; P40-W48 WeakPolarHBondContact O-CB 3.17Å; P40-F54 HydrophobicContact CB-CD1 4.39Å
41L67.1Low72.9Confident52 Ų5263.5 Ų63.527%0.27239%0.386SS..THydrogen-bonded Turntrans-89.1-42.3-174.6-44172.9000112L30 D39 S43 F54 Y58 H104L30-L41 HydrophobicContact CD2-CD2 4.35Å; D39-L41 PolarHBondContact O-N 2.9Å; D39-L41 VanDerWaalsContact O-N 3.14Å; D39-L41 WeakPolarHBondContact OD1-CA 3.34Å; D39-L41 WeakPolarHBondContact OD1-CB 3.37Å; D39-L41 WeakPolarHBondContact OD1-CG 3.35Å; D39-L41 PolarHBondContact OD1-N 3.2Å; L41-S43 PolarHBondContact O-N 2.88Å; L41-F54 HydrophobicContact CD2-CD1 4.37Å; L41-Y58 HydrophobicContact CD2-CD2 3.4Å; L41-Y58 HydrophobicContact CD2-CE1 4.47Å; L41-Y58 HydrophobicContact CD2-CE2 3.04Å; L41-Y58 HydrophobicContact CD2-CG 4.26Å; L41-Y58 HydrophobicContact CG-CE2 4.43Å; L41-H104 HydrophobicContact CD1-CB 4.11Å; L41-H104 WeakPolarHBondContact CD1-CD2 3.29Å
42A64.5Low72.2Confident66 Ų6660.6 Ų60.655%0.54537%0.37SS..THydrogen-bonded Turntrans-65.6-20.1174.400000112.3D39 S44D39-A42 HydrophobicContact CB-CB 3.93Å; D39-A42 PolarHBondContact OD1-N 2.8Å; D39-A42 WeakPolarHBondContact OD2-CB 3.33Å; D39-A42 PolarHBondContact OD2-N 3.39Å; A42-S44 PolarHBondContact O-N 3.38Å
43S63.5Low71.5Confident29 Ų2960.9 Ų60.920%0.20337%0.373CS..  trans-73.174178.2-161.40000111.2D39 L41 K45 S49D39-S43 PolarHBondContact O-N 3.34Å; L41-S43 PolarHBondContact O-N 2.88Å; S43-K45 PolarHBondContact O-N 3.31Å; S43-K45 PolarHBondContact OG-O 3.3Å; S43-S49 WeakPolarHBondContact O-CB 3.3Å
44S58.5Low70.8Confident94 Ų9461.4 Ų61.466%0.65738%0.375SS*.SBendtrans-61.2-23.3171.660.80000112.6A42 S49A42-S44 PolarHBondContact O-N 3.38Å; S44-S49 WeakPolarHBondContact O-CB 3.24Å; S44-S49 PolarHBondContact O-OG 3.36Å
45K61Low70Confident177 Ų17759.3 Ų59.377%0.7736%0.361SS*.SBendtrans-121.2143.2176.2-62-178.7-179179.40110.4S43S43-K45 PolarHBondContact O-N 3.31Å; S43-K45 PolarHBondContact OG-O 3.3Å
46G68.7Low69.5Low37 Ų3757 Ų5738%0.38134%0.344SS..SBendtrans110.9-163.4171.200000114.9W48 S49 T50G46-W48 VanDerWaalsContact C-N 3.29Å; G46-W48 PolarHBondContact O-N 2.99Å; G46-S49 PolarHBondContact O-N 2.81Å; G46-S49 PolarHBondContact O-OG 3.19Å; G46-T50 WeakPolarHBondContact O-CB 3.46Å; G46-T50 PolarHBondContact O-N 2.86Å; G46-T50 PolarHBondContact O-OG1 3Å
47F70.4Confident69Low27 Ų2756.1 Ų56.112%0.11834%0.338CS..Hα-helixtrans-53.4-41.2-173174.9-91000113.6E9 A12 A13 K51 L52E9-F47 HydrophobicContact CB-CD1 3.8Å; E9-F47 HydrophobicContact CB-CD2 4.07Å; E9-F47 HydrophobicContact CB-CE1 3.48Å; E9-F47 VanDerWaalsContact CB-CE1 3.48Å; E9-F47 HydrophobicContact CB-CE2 3.82Å; E9-F47 HydrophobicContact CB-CG 4.09Å; E9-F47 HydrophobicContact CB-CZ 3.56Å; E9-F47 HydrophobicContact CG-CB 4.33Å; E9-F47 HydrophobicContact CG-CD1 3.41Å; E9-F47 VanDerWaalsContact CG-CD1 3.41Å; E9-F47 HydrophobicContact CG-CD2 4.14Å; E9-F47 HydrophobicContact CG-CE1 3.63Å; E9-F47 HydrophobicContact CG-CE2 4.37Å; E9-F47 HydrophobicContact CG-CG 3.7Å; E9-F47 HydrophobicContact CG-CZ 4.17Å; E9-F47 WeakPolarHBondContact O-CZ 3.34Å; A12-F47 HydrophobicContact CB-CE1 4.42Å; A13-F47 HydrophobicContact CB-CZ 4.2Å; F47-K51 HydrophobicContact CD2-CB 4.13Å; F47-K51 HydrophobicContact CD2-CD 3.64Å; F47-K51 HydrophobicContact CD2-CG 4.13Å; F47-K51 HydrophobicContact CE2-CB 4.08Å; F47-K51 HydrophobicContact CE2-CD 3.63Å; F47-K51 HydrophobicContact CE2-CG 4.34Å; F47-K51 WeakPolarHBondContact O-CB 3.5Å; F47-K51 PolarHBondContact O-N 3.46Å; F47-L52 HydrophobicContact CD1-CD1 3.97Å; F47-L52 HydrophobicContact CD1-CG 4.48Å; F47-L52 HydrophobicContact CE1-CD1 3.22Å; F47-L52 HydrophobicContact CE1-CG 3.81Å; F47-L52 HydrophobicContact CZ-CD1 3.82Å; F47-L52 HydrophobicContact CZ-CD2 4.32Å; F47-L52 HydrophobicContact CZ-CG 4.03Å; F47-L52 PolarHBondContact O-N 2.88Å
48W70.9Confident68.8Low4 Ų453.4 Ų53.42%0.01531%0.306CS..Hα-helixtrans-68.2-43.9-176.4-59.8113.2000114.1L8 E9 A12 F29 V38 P40 G46 L52 N53 F54L8-W48 HydrophobicContact CD2-CH2 4.31Å; L8-W48 HydrophobicContact CD2-CZ2 4.03Å; L8-W48 HydrophobicContact CG-CH2 3.96Å; L8-W48 HydrophobicContact CG-CZ2 4.11Å; E9-W48 HydrophobicContact CG-CZ2 4.32Å; A12-W48 HydrophobicContact CB-CH2 3.76Å; A12-W48 HydrophobicContact CB-CZ3 3.49Å; A12-W48 VanDerWaalsContact CB-CZ3 3.49Å; F29-W48 HydrophobicContact CE1-CH2 4.3Å; F29-W48 AromaticContact CE1-CZ3 3.79Å; F29-W48 HydrophobicContact CE1-CZ3 3.79Å; F29-W48 HydrophobicContact CE2-CH2 4.4Å; F29-W48 HydrophobicContact CE2-CZ3 4.48Å; F29-W48 HydrophobicContact CZ-CE3 4.43Å; F29-W48 AromaticContact CZ-CH2 3.49Å; F29-W48 HydrophobicContact CZ-CH2 3.49Å; F29-W48 VanDerWaalsContact CZ-CH2 3.49Å; F29-W48 AromaticContact CZ-CZ3 3.34Å; F29-W48 HydrophobicContact CZ-CZ3 3.34Å; V38-W48 HydrophobicContact CG1-CZ2 4.36Å; P40-W48 HydrophobicContact CB-CB 4.3Å; P40-W48 HydrophobicContact CB-CD2 3.8Å; P40-W48 HydrophobicContact CB-CE3 3.82Å; P40-W48 HydrophobicContact CB-CG 3.99Å; P40-W48 HydrophobicContact CG-CD2 4.22Å; P40-W48 HydrophobicContact CG-CE3 4.24Å; P40-W48 WeakPolarHBondContact O-CB 3.17Å; G46-W48 VanDerWaalsContact C-N 3.29Å; G46-W48 PolarHBondContact O-N 2.99Å; W48-L52 HydrophobicContact CE3-CD1 3.42Å; W48-L52 VanDerWaalsContact CE3-CD1 3.42Å; W48-L52 HydrophobicContact CH2-CD1 4.31Å; W48-L52 HydrophobicContact CZ3-CD1 3.27Å; W48-N53 PolarHBondContact O-N 3.35Å; W48-F54 HydrophobicContact CE3-CD2 4.37Å; W48-F54 HydrophobicContact CE3-CE2 4.25Å; W48-F54 HydrophobicContact CZ3-CE2 4.44Å; W48-F54 PolarHBondContact O-N 3.45Å
49S67.9Low68.7Low27 Ų2759.3 Ų59.319%0.18933%0.326CS..Hα-helixtrans-76.5-45.9176.961.30000111.9S43 S44 G46 N53S43-S49 WeakPolarHBondContact O-CB 3.3Å; S44-S49 WeakPolarHBondContact O-CB 3.24Å; S44-S49 PolarHBondContact O-OG 3.36Å; G46-S49 PolarHBondContact O-N 2.81Å; G46-S49 PolarHBondContact O-OG 3.19Å; S49-N53 PolarHBondContact O-N 3.11Å
50T69.2Low68.8Low115 Ų11558.1 Ų58.171%0.70632%0.318SS*.Hα-helixtrans-80.7-41-171.8-470000113.9G46G46-T50 WeakPolarHBondContact O-CB 3.46Å; G46-T50 PolarHBondContact O-N 2.86Å; G46-T50 PolarHBondContact O-OG1 3Å
51K67.3Low69.1Low156 Ų15658 Ų5868%0.67832%0.317SS*.THydrogen-bonded Turntrans-95-32.9-174.4-67.7-158.6-176.3176.90114F47F47-K51 HydrophobicContact CD2-CB 4.13Å; F47-K51 HydrophobicContact CD2-CD 3.64Å; F47-K51 HydrophobicContact CD2-CG 4.13Å; F47-K51 HydrophobicContact CE2-CB 4.08Å; F47-K51 HydrophobicContact CE2-CD 3.63Å; F47-K51 HydrophobicContact CE2-CG 4.34Å; F47-K51 WeakPolarHBondContact O-CB 3.5Å; F47-K51 PolarHBondContact O-N 3.46Å
52L69.9Low69.7Low6 Ų655.7 Ų55.73%0.03131%0.305CS..THydrogen-bonded Turntrans-108.2-5.9-173.7-61.2177.1000113.6A12 A13 H16 F47 W48 F54A12-L52 HydrophobicContact CB-CD1 3.34Å; A12-L52 HydrophobicContact CB-CD2 4.47Å; A12-L52 VanDerWaalsContact O-CD2 3.3Å; A12-L52 WeakPolarHBondContact O-CD2 3.17Å; A13-L52 HydrophobicContact CB-CD2 4.48Å; H16-L52 HydrophobicContact CB-CD2 4.03Å; H16-L52 PolarHBondContact CD2-O 3.44Å; H16-L52 VanDerWaalsContact CD2-O 3.25Å; H16-L52 PolarHBondContact NE2-O 2.82Å; F47-L52 HydrophobicContact CD1-CD1 3.97Å; F47-L52 HydrophobicContact CD1-CG 4.48Å; F47-L52 HydrophobicContact CE1-CD1 3.22Å; F47-L52 HydrophobicContact CE1-CG 3.81Å; F47-L52 HydrophobicContact CZ-CD1 3.82Å; F47-L52 HydrophobicContact CZ-CD2 4.32Å; F47-L52 HydrophobicContact CZ-CG 4.03Å; F47-L52 PolarHBondContact O-N 2.88Å; W48-L52 HydrophobicContact CE3-CD1 3.42Å; W48-L52 VanDerWaalsContact CE3-CD1 3.42Å; W48-L52 HydrophobicContact CH2-CD1 4.31Å; W48-L52 HydrophobicContact CZ3-CD1 3.27Å; L52-F54 HydrophobicContact CB-CD2 3.45Å; L52-F54 VanDerWaalsContact CB-CD2 3.45Å; L52-F54 HydrophobicContact CB-CE2 3.65Å; L52-F54 HydrophobicContact CD1-CD2 4.3Å; L52-F54 HydrophobicContact CD1-CE2 3.87Å; L52-F54 HydrophobicContact CG-CE2 4.38Å; L52-F54 PolarHBondContact O-N 3.49Å
53N68.8Low70.5Confident71 Ų7156 Ų5638%0.3830%0.3SS..  trans54.829174.1-151.930.9000113.5W48 S49 G55 N56 F57W48-N53 PolarHBondContact O-N 3.35Å; S49-N53 PolarHBondContact O-N 3.11Å; N53-G55 VanDerWaalsContact C-N 3.26Å; N53-G55 PolarHBondContact O-N 3.43Å; N53-N56 VanDerWaalsContact CG-CB 3.45Å; N53-N56 WeakPolarHBondContact ND2-CB 3.48Å; N53-N56 PolarHBondContact O-N 3.34Å; N53-N56 WeakPolarHBondContact OD1-CB 3.13Å; N53-F57 PolarHBondContact O-N 2.86Å
54F68.8Low71.4Confident10 Ų1055.5 Ų55.54%0.04429%0.294CS..Hα-helixtrans-59.2-43.2178.1-90.1-104.7000110.2I19 F29 L30 P40 L41 W48 L52 N56 F57 Y58I19-F54 HydrophobicContact CB-CZ 4.34Å; I19-F54 HydrophobicContact CD1-CZ 4.26Å; I19-F54 HydrophobicContact CG2-CE1 3.76Å; I19-F54 HydrophobicContact CG2-CE2 4.3Å; I19-F54 HydrophobicContact CG2-CZ 3.34Å; F29-F54 HydrophobicContact CD1-CE1 4.08Å; F29-F54 AromaticContact CD1-CZ 3.73Å; F29-F54 HydrophobicContact CD1-CZ 3.73Å; F29-F54 HydrophobicContact CE1-CE1 4Å; F29-F54 HydrophobicContact CE1-CE2 4.28Å; F29-F54 AromaticContact CE1-CZ 3.46Å; F29-F54 HydrophobicContact CE1-CZ 3.46Å; F29-F54 VanDerWaalsContact CE1-CZ 3.46Å; F29-F54 HydrophobicContact CZ-CZ 4.47Å; L30-F54 HydrophobicContact CD2-CE1 4.17Å; P40-F54 HydrophobicContact CB-CD1 4.39Å; L41-F54 HydrophobicContact CD2-CD1 4.37Å; W48-F54 HydrophobicContact CE3-CD2 4.37Å; W48-F54 HydrophobicContact CE3-CE2 4.25Å; W48-F54 HydrophobicContact CZ3-CE2 4.44Å; W48-F54 PolarHBondContact O-N 3.45Å; L52-F54 HydrophobicContact CB-CD2 3.45Å; L52-F54 VanDerWaalsContact CB-CD2 3.45Å; L52-F54 HydrophobicContact CB-CE2 3.65Å; L52-F54 HydrophobicContact CD1-CD2 4.3Å; L52-F54 HydrophobicContact CD1-CE2 3.87Å; L52-F54 HydrophobicContact CG-CE2 4.38Å; L52-F54 PolarHBondContact O-N 3.49Å; F54-N56 VanDerWaalsContact C-N 3.31Å; F54-N56 PolarHBondContact O-N 2.95Å; F54-F57 PolarHBondContact O-N 2.77Å; F54-F57 VanDerWaalsContact O-N 3.17Å; F54-Y58 HydrophobicContact CD1-CE2 4.15Å; F54-Y58 VanDerWaalsContact O-CD2 3.23Å; F54-Y58 WeakPolarHBondContact O-CD2 3.29Å; F54-Y58 PolarHBondContact O-N 3.28Å
55G67Low72.6Confident23 Ų2351.1 Ų51.124%0.23726%0.264CS..Hα-helixtrans-51.6-48.9176.800000112.4N53 F57 Y58 Y59N53-G55 VanDerWaalsContact C-N 3.26Å; N53-G55 PolarHBondContact O-N 3.43Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 3.3Å; G55-Y58 PolarHBondContact O-N 2.85Å; G55-Y59 WeakPolarHBondContact O-CD2 3.43Å; G55-Y59 PolarHBondContact O-N 3.19Å
56N71.1Confident73.7Confident67 Ų6745 Ų4536%0.35824%0.239SC..Hα-helixtrans-63.8-37.5-178-161.257.4000113N53 F54 Y58 Y59 E60N53-N56 VanDerWaalsContact CG-CB 3.45Å; N53-N56 WeakPolarHBondContact ND2-CB 3.48Å; N53-N56 PolarHBondContact O-N 3.34Å; N53-N56 WeakPolarHBondContact OD1-CB 3.13Å; F54-N56 VanDerWaalsContact C-N 3.31Å; F54-N56 PolarHBondContact O-N 2.95Å; N56-Y58 PolarHBondContact O-N 2.79Å; N56-Y59 PolarHBondContact O-N 3.16Å; N56-E60 PolarHBondContact ND2-OE1 3.2Å; N56-E60 WeakPolarHBondContact O-CB 3.5Å; N56-E60 VanDerWaalsContact O-CG 3.23Å; N56-E60 WeakPolarHBondContact O-CG 3.43Å; N56-E60 PolarHBondContact O-N 3.28Å
57F72.9Confident74.6Confident27 Ų2748.8 Ų48.812%0.11825%0.247CC..Hα-helixtrans-60.2-45.2176.6174-95.2000111.9R26 N53 F54 G55 L61R26-F57 VanDerWaalsContact NH1-CE2 3.28Å; N53-F57 PolarHBondContact O-N 2.86Å; F54-F57 PolarHBondContact O-N 2.77Å; F54-F57 VanDerWaalsContact O-N 3.17Å; G55-F57 VanDerWaalsContact C-N 3.34Å; G55-F57 PolarHBondContact O-N 3.3Å; F57-L61 HydrophobicContact CE1-CD2 4.49Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 2.9Å
58Y73.5Confident75.3Confident16 Ų1648.6 Ų48.66%0.06325%0.247CC..Hα-helixtrans-76.1-31.3179.8-68.6-78.7000113L30 L41 F54 G55 N56 L61 A62 H104L30-Y58 WeakPolarHBondContact CD1-OH 3.46Å; L41-Y58 HydrophobicContact CD2-CD2 3.4Å; L41-Y58 HydrophobicContact CD2-CE1 4.47Å; L41-Y58 HydrophobicContact CD2-CE2 3.04Å; L41-Y58 HydrophobicContact CD2-CG 4.26Å; L41-Y58 HydrophobicContact CG-CE2 4.43Å; F54-Y58 HydrophobicContact CD1-CE2 4.15Å; F54-Y58 VanDerWaalsContact O-CD2 3.23Å; F54-Y58 WeakPolarHBondContact O-CD2 3.29Å; F54-Y58 PolarHBondContact O-N 3.28Å; G55-Y58 PolarHBondContact O-N 2.85Å; N56-Y58 PolarHBondContact O-N 2.79Å; Y58-L61 HydrophobicContact CD1-CD2 4.33Å; Y58-L61 PolarHBondContact O-N 3.44Å; Y58-A62 VanDerWaalsContact O-CB 3.29Å; Y58-A62 WeakPolarHBondContact O-CB 3.29Å; Y58-A62 PolarHBondContact O-N 3.43Å; Y58-H104 HydrophobicContact CD1-CB 3.87Å; Y58-H104 HydrophobicContact CE1-CB 3.41Å; Y58-H104 VanDerWaalsContact CE1-CB 3.41Å; Y58-H104 AromaticContact CE1-CD2 3.89Å; Y58-H104 AromaticContact CE1-CG 3.98Å; Y58-H104 AromaticContact CZ-CD2 3.79Å; Y58-H104 PolarHBondContact OH-CD2 3.16Å
59Y75.2Confident76Confident156 Ų15648.4 Ų48.461%0.61225%0.247SC*.Hα-helixtrans-63.1-47.3169.3-77.5-60.5000111.5G55 N56 L61 A62 V63G55-Y59 WeakPolarHBondContact O-CD2 3.43Å; G55-Y59 PolarHBondContact O-N 3.19Å; N56-Y59 PolarHBondContact O-N 3.16Å; Y59-L61 VanDerWaalsContact C-N 3.29Å; Y59-L61 PolarHBondContact O-N 3.28Å; Y59-A62 PolarHBondContact O-N 2.98Å; Y59-V63 WeakPolarHBondContact O-CG2 3.44Å; Y59-V63 PolarHBondContact O-N 3.05Å
60E77.1Confident76.9Confident55 Ų5552.1 Ų52.126%0.25726%0.262SS..Hα-helixtrans-57.2-44.5174.6-76.4172.4-150.400111.2R20 N56 Q64 R93R20-E60 IonicContact NH2-OE1 2.79Å; R20-E60 PolarHBondContact NH2-OE1 3.31Å; R20-E60 IonicContact NH2-OE2 2.82Å; N56-E60 PolarHBondContact ND2-OE1 3.2Å; N56-E60 WeakPolarHBondContact O-CB 3.5Å; N56-E60 VanDerWaalsContact O-CG 3.23Å; N56-E60 WeakPolarHBondContact O-CG 3.43Å; N56-E60 PolarHBondContact O-N 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.26Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 VanDerWaalsContact O-N 3.08Å; E60-R93 IonicContact OE2-NH1 3.27Å; E60-R93 IonicContact OE2-NH2 2.64Å; E60-R93 PolarHBondContact OE2-NH2 2.76Å
61L77.9Confident77.7Confident4 Ų450.7 Ų50.72%0.02126%0.262CS..Hα-helixtrans-63.9-40.9178178.561.6000111.7F57 Y58 Y59 Q64 M65 V89F57-L61 HydrophobicContact CE1-CD2 4.49Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 2.9Å; Y58-L61 HydrophobicContact CD1-CD2 4.33Å; Y58-L61 PolarHBondContact O-N 3.44Å; Y59-L61 VanDerWaalsContact C-N 3.29Å; Y59-L61 PolarHBondContact O-N 3.28Å; L61-Q64 PolarHBondContact O-N 3.46Å; L61-M65 HydrophobicContact CD1-CE 3.9Å; L61-M65 HydrophobicContact CD2-CE 4.12Å; L61-M65 HydrophobicContact CG-CE 3.77Å; L61-M65 WeakPolarHBondContact O-CG 3.47Å; L61-M65 PolarHBondContact O-N 3.49Å; L61-V89 HydrophobicContact CD1-CG1 4.11Å
62A79.4Confident78.4Confident2 Ų244.2 Ų44.22%0.01724%0.236CC..Hα-helixtrans-69.4-42.9178.900000112.8Y58 Y59 Q64 M65 I66 A109Y58-A62 VanDerWaalsContact O-CB 3.29Å; Y58-A62 WeakPolarHBondContact O-CB 3.29Å; Y58-A62 PolarHBondContact O-N 3.43Å; Y59-A62 PolarHBondContact O-N 2.98Å; A62-Q64 VanDerWaalsContact C-N 3.25Å; A62-Q64 PolarHBondContact O-N 3.19Å; A62-M65 WeakPolarHBondContact O-CB 3.19Å; A62-M65 PolarHBondContact O-N 2.91Å; A62-M65 VanDerWaalsContact O-N 3.16Å; A62-I66 VanDerWaalsContact O-CG1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.43Å; A62-A109 HydrophobicContact CB-CB 3.51Å; A62-A109 WeakPolarHBondContact CB-O 3.42Å
63V82.7Confident78.9Confident74 Ų7445 Ų4545%0.44824%0.242SC..Hα-helixtrans-57.1-44173.3170.30000110.1Y59 M65 I66 E67Y59-V63 WeakPolarHBondContact O-CG2 3.44Å; Y59-V63 PolarHBondContact O-N 3.05Å; V63-M65 PolarHBondContact O-N 3.23Å; V63-I66 WeakPolarHBondContact O-CB 3.46Å; V63-I66 PolarHBondContact O-N 3.3Å; V63-E67 HydrophobicContact CG1-CG 4.34Å; V63-E67 WeakPolarHBondContact O-CG 3.34Å; V63-E67 PolarHBondContact O-N 3.08Å
64Q81.7Confident79.2Confident17 Ų1749.9 Ų49.98%0.07926%0.262CS..Hα-helixtrans-65.1-38.8177.7-171.7-176.11.500112.9E60 L61 A62 I66 E67 V68 V89 S92E60-Q64 WeakPolarHBondContact O-CB 3.26Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 VanDerWaalsContact O-N 3.08Å; L61-Q64 PolarHBondContact O-N 3.46Å; A62-Q64 VanDerWaalsContact C-N 3.25Å; A62-Q64 PolarHBondContact O-N 3.19Å; Q64-I66 VanDerWaalsContact C-N 3.31Å; Q64-I66 PolarHBondContact O-N 3.4Å; Q64-E67 PolarHBondContact O-N 3.26Å; Q64-V68 HydrophobicContact CG-CG2 4.49Å; Q64-V68 WeakPolarHBondContact O-CB 3.42Å; Q64-V68 WeakPolarHBondContact O-CG2 3.12Å; Q64-V68 PolarHBondContact O-N 2.88Å; Q64-V89 HydrophobicContact CG-CG1 4.34Å; Q64-V89 PolarHBondContact NE2-O 2.76Å; Q64-S92 PolarHBondContact NE2-OG 2.79Å
65M84.4Confident79.7Confident3 Ų353.3 Ų53.32%0.01528%0.284CS..Hα-helixtrans-59.5-45.1172.5-74.2178.5-172.800111.2L61 A62 V63 V68 F69 L85 V89 I101 A105 L110L61-M65 HydrophobicContact CD1-CE 3.9Å; L61-M65 HydrophobicContact CD2-CE 4.12Å; L61-M65 HydrophobicContact CG-CE 3.77Å; L61-M65 WeakPolarHBondContact O-CG 3.47Å; L61-M65 PolarHBondContact O-N 3.49Å; A62-M65 WeakPolarHBondContact O-CB 3.19Å; A62-M65 PolarHBondContact O-N 2.91Å; A62-M65 VanDerWaalsContact O-N 3.16Å; V63-M65 PolarHBondContact O-N 3.23Å; M65-V68 PolarHBondContact O-N 3.45Å; M65-F69 WeakPolarHBondContact O-CB 3.28Å; M65-F69 PolarHBondContact O-N 3.5Å; M65-L85 HydrophobicContact CB-CD2 4.24Å; M65-L85 HydrophobicContact CG-CD2 4.33Å; M65-L85 HydrophobicContact CG-CG 4.49Å; M65-V89 HydrophobicContact CG-CG2 4Å; M65-I101 HydrophobicContact CE-CB 3.7Å; M65-I101 HydrophobicContact CE-CD1 3.85Å; M65-I101 HydrophobicContact CE-CG1 3.4Å; M65-I101 VanDerWaalsContact CE-CG1 3.4Å; M65-I101 HydrophobicContact CE-CG2 3.42Å; M65-I101 VanDerWaalsContact CE-CG2 3.42Å; M65-I101 HydrophobicContact SD-CG2 4.35Å; M65-A105 HydrophobicContact CE-CB 3.35Å; M65-A105 HydrophobicContact SD-CB 3.33Å; M65-A105 WeakPolarHBondContact SD-CB 3.3Å; M65-L110 HydrophobicContact CB-CD2 3.67Å; M65-L110 HydrophobicContact SD-CD2 4.21Å
66I84.1Confident80.3Confident47 Ų4752.4 Ų52.424%0.24127%0.274CS..Hα-helixtrans-60.8-46.7176.4-65.3167.1000110.2A62 V63 Q64 F69 M70 L110 F114A62-I66 VanDerWaalsContact O-CG1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.35Å; A62-I66 PolarHBondContact O-N 3.43Å; V63-I66 WeakPolarHBondContact O-CB 3.46Å; V63-I66 PolarHBondContact O-N 3.3Å; Q64-I66 VanDerWaalsContact C-N 3.31Å; Q64-I66 PolarHBondContact O-N 3.4Å; I66-F69 PolarHBondContact O-N 2.97Å; I66-M70 HydrophobicContact CG2-CG 4.12Å; I66-M70 VanDerWaalsContact O-CB 3.3Å; I66-M70 WeakPolarHBondContact O-CB 3.46Å; I66-M70 WeakPolarHBondContact O-CG 3.39Å; I66-M70 PolarHBondContact O-N 3.24Å; I66-L110 WeakPolarHBondContact CD1-O 3.27Å; I66-L110 HydrophobicContact CG1-CD2 3.91Å; I66-F114 HydrophobicContact CB-CE2 4.31Å; I66-F114 HydrophobicContact CB-CZ 4.39Å; I66-F114 HydrophobicContact CD1-CE2 4.16Å; I66-F114 HydrophobicContact CG1-CD2 4.24Å; I66-F114 HydrophobicContact CG1-CE2 3.68Å; I66-F114 HydrophobicContact CG1-CZ 4.15Å; I66-F114 HydrophobicContact CG2-CE2 3.89Å; I66-F114 HydrophobicContact CG2-CZ 3.87Å
67E86.5Confident80.6Confident118 Ų11849.5 Ų49.555%0.55126%0.26SS*.Hα-helixtrans-59.8-49.8178.9-74171.417200112.1V63 Q64 F69 M70 A71V63-E67 HydrophobicContact CG1-CG 4.34Å; V63-E67 WeakPolarHBondContact O-CG 3.34Å; V63-E67 PolarHBondContact O-N 3.08Å; Q64-E67 PolarHBondContact O-N 3.26Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 3.38Å; E67-M70 PolarHBondContact O-N 3.12Å; E67-A71 VanDerWaalsContact O-CB 3.24Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.84Å
68V86.2Confident81Confident22 Ų2248.4 Ų48.413%0.13326%0.256CS..Hα-helixtrans-61.2-46.3177.6168.30000110.5Q64 M65 A71 T72 L85 K88 V89Q64-V68 HydrophobicContact CG-CG2 4.49Å; Q64-V68 WeakPolarHBondContact O-CB 3.42Å; Q64-V68 WeakPolarHBondContact O-CG2 3.12Å; Q64-V68 PolarHBondContact O-N 2.88Å; M65-V68 PolarHBondContact O-N 3.45Å; V68-A71 PolarHBondContact O-N 2.95Å; V68-T72 WeakPolarHBondContact O-CG2 3.29Å; V68-T72 PolarHBondContact O-N 3.16Å; V68-T72 VanDerWaalsContact O-N 3.13Å; V68-T72 PolarHBondContact O-OG1 3.37Å; V68-L85 HydrophobicContact CB-CD1 4.2Å; V68-L85 HydrophobicContact CG1-CD1 3.87Å; V68-K88 HydrophobicContact CG1-CB 3.38Å; V68-K88 HydrophobicContact CG1-CD 4.22Å; V68-K88 HydrophobicContact CG1-CG 4.44Å; V68-V89 HydrophobicContact CB-CG2 4.02Å; V68-V89 HydrophobicContact CG1-CG2 4.24Å; V68-V89 HydrophobicContact CG2-CG2 3.85Å
69F85.6Confident81.6Confident1 Ų147.8 Ų47.80%0.00425%0.254CS..Hα-helixtrans-59.9-50.1179.3-173.5-83000111.5M65 I66 E67 A71 T72 S73 G78 M80 L85 F114 V125M65-F69 WeakPolarHBondContact O-CB 3.28Å; M65-F69 PolarHBondContact O-N 3.5Å; I66-F69 PolarHBondContact O-N 2.97Å; E67-F69 VanDerWaalsContact C-N 3.34Å; E67-F69 PolarHBondContact O-N 3.38Å; F69-A71 PolarHBondContact O-N 3.45Å; F69-T72 CarbonylContact O-C 3.58Å; F69-T72 PolarHBondContact O-N 3Å; F69-T72 PolarHBondContact O-OG1 3.17Å; F69-S73 PolarHBondContact O-N 2.87Å; F69-G78 VanDerWaalsContact CZ-O 3.24Å; F69-G78 WeakPolarHBondContact CZ-O 3.47Å; F69-M80 HydrophobicContact CD2-CB 4.12Å; F69-M80 HydrophobicContact CE2-CB 3.9Å; F69-L85 HydrophobicContact CB-CD1 4.18Å; F69-F114 HydrophobicContact CD1-CD1 4.27Å; F69-F114 AromaticContact CD1-CE1 3.44Å; F69-F114 HydrophobicContact CD1-CE1 3.44Å; F69-F114 VanDerWaalsContact CD1-CE1 3.44Å; F69-F114 HydrophobicContact CD1-CZ 4.3Å; F69-F114 HydrophobicContact CE1-CD1 4.21Å; F69-F114 AromaticContact CE1-CE1 3.66Å; F69-F114 HydrophobicContact CE1-CE1 3.66Å; F69-F114 HydrophobicContact CG-CE1 4.03Å; F69-F114 HydrophobicContact CZ-CE1 4.43Å; F69-V125 HydrophobicContact CD2-CB 4.28Å; F69-V125 HydrophobicContact CD2-CG1 3.96Å; F69-V125 HydrophobicContact CE2-CB 3.89Å; F69-V125 HydrophobicContact CE2-CG1 3.76Å; F69-V125 VanDerWaalsContact CE2-O 3.28Å; F69-V125 WeakPolarHBondContact CE2-O 3.5Å; F69-V125 HydrophobicContact CZ-CG1 4.43Å
70M84.8Confident82.1Confident105 Ų10540.3 Ų40.352%0.51723%0.225SC..Hα-helixtrans-62.5-41.6178.8-70.6-61.2-65.600111.6I66 E67 T72 S73 F114I66-M70 HydrophobicContact CG2-CG 4.12Å; I66-M70 VanDerWaalsContact O-CB 3.3Å; I66-M70 WeakPolarHBondContact O-CB 3.46Å; I66-M70 WeakPolarHBondContact O-CG 3.39Å; I66-M70 PolarHBondContact O-N 3.24Å; E67-M70 PolarHBondContact O-N 3.12Å; M70-T72 PolarHBondContact O-N 3.5Å; M70-S73 WeakPolarHBondContact O-CB 3.24Å; M70-S73 PolarHBondContact O-N 2.94Å; M70-S73 PolarHBondContact O-OG 3.34Å; M70-F114 HydrophobicContact SD-CZ 4.32Å
71A86.3Confident82.5Confident85 Ų8538.5 Ų38.570%0.70222%0.217SC*.Hα-helixtrans-61.6-30.3177.700000112.8E67 V68 F69E67-A71 VanDerWaalsContact O-CB 3.24Å; E67-A71 WeakPolarHBondContact O-CB 3.5Å; E67-A71 PolarHBondContact O-N 2.84Å; V68-A71 PolarHBondContact O-N 2.95Å; F69-A71 PolarHBondContact O-N 3.45Å
72T82.4Confident82.7Confident20 Ų2038.7 Ų38.712%0.12322%0.218CC..Hα-helixtrans-97.8-7.6179.255.90000114.1V68 F69 M70 Q74 T75 T76 M80 K88V68-T72 WeakPolarHBondContact O-CG2 3.29Å; V68-T72 PolarHBondContact O-N 3.16Å; V68-T72 VanDerWaalsContact O-N 3.13Å; V68-T72 PolarHBondContact O-OG1 3.37Å; F69-T72 CarbonylContact O-C 3.58Å; F69-T72 PolarHBondContact O-N 3Å; F69-T72 PolarHBondContact O-OG1 3.17Å; M70-T72 PolarHBondContact O-N 3.5Å; T72-Q74 PolarHBondContact O-N 3.37Å; T72-T75 PolarHBondContact O-N 2.82Å; T72-T75 PolarHBondContact O-OG1 3.37Å; T72-T76 PolarHBondContact O-N 3.42Å; T72-T76 PolarHBondContact O-OG1 3.08Å; T72-M80 HydrophobicContact CG2-CE 4.07Å; T72-M80 WeakPolarHBondContact OG1-CE 3.18Å; T72-K88 HydrophobicContact CG2-CD 3.69Å
73S80.7Confident82.8Confident23 Ų2341.3 Ų41.316%0.16123%0.232CC..Hα-helixtrans-59-34.9-171.963.20000113F69 M70 T75 G77 G78F69-S73 PolarHBondContact O-N 2.87Å; M70-S73 WeakPolarHBondContact O-CB 3.24Å; M70-S73 PolarHBondContact O-N 2.94Å; M70-S73 PolarHBondContact O-OG 3.34Å; S73-T75 VanDerWaalsContact C-N 3.3Å; S73-T75 PolarHBondContact O-N 2.97Å; S73-G77 CarbonylContact O-C 3.4Å; S73-G77 VanDerWaalsContact O-CA 3.3Å; S73-G77 WeakPolarHBondContact O-CA 3.34Å; S73-G77 PolarHBondContact O-N 3.08Å; S73-G78 PolarHBondContact O-N 3Å
74Q74.6Confident82.8Confident172 Ų17238.9 Ų38.980%0.80422%0.216SC*.Hα-helixtrans-66.2-32.6177.7-64.4-63.3-25.200112.5T72T72-Q74 PolarHBondContact O-N 3.37Å
75T78.9Confident82.9Confident82 Ų8238.2 Ų38.250%0.50321%0.213SC..Hα-helixtrans-90.3-32-179.654.60000112.6T72 S73 P194T72-T75 PolarHBondContact O-N 2.82Å; T72-T75 PolarHBondContact O-OG1 3.37Å; S73-T75 VanDerWaalsContact C-N 3.3Å; S73-T75 PolarHBondContact O-N 2.97Å; T75-P194 WeakPolarHBondContact O-CB 3.46Å
76T80.7Confident82.7Confident4 Ų440.6 Ų40.63%0.02522%0.222CC..Hα-helixtrans-982.3-178.170.90000113.5T72 G78 I79 M80T72-T76 PolarHBondContact O-N 3.42Å; T72-T76 PolarHBondContact O-OG1 3.08Å; T76-G78 PolarHBondContact O-N 3.09Å; T76-I79 WeakPolarHBondContact CB-O 3.34Å; T76-I79 PolarHBondContact O-N 3Å; T76-I79 PolarHBondContact OG1-O 3.4Å; T76-M80 HydrophobicContact CG2-CE 4.18Å
77G76.5Confident82.7Confident7 Ų741 Ų417%0.07223%0.232CC..THydrogen-bonded Turntrans68.717.5-17500000114.4S73 I79 K130 G176S73-G77 CarbonylContact O-C 3.4Å; S73-G77 VanDerWaalsContact O-CA 3.3Å; S73-G77 WeakPolarHBondContact O-CA 3.34Å; S73-G77 PolarHBondContact O-N 3.08Å; G77-I79 VanDerWaalsContact C-N 3.33Å; G77-K130 PolarHBondContact O-NZ 3.5Å; G77-G176 WeakPolarHBondContact CA-O 3.28Å
78G82.3Confident82.5Confident3 Ų338 Ų383%0.03122%0.217CC..THydrogen-bonded Turntrans71.828.2-176.500000113.4F69 S73 T76 H126F69-G78 VanDerWaalsContact CZ-O 3.24Å; F69-G78 WeakPolarHBondContact CZ-O 3.47Å; S73-G78 PolarHBondContact O-N 3Å; T76-G78 PolarHBondContact O-N 3.09Å; G78-H126 WeakPolarHBondContact O-CA 3.37Å
79I84.6Confident82.4Confident3 Ų337 Ų372%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-124.4145.7164.4-65.5-173.9000108.2T76 G77 L124 V125 H126 I132 L140 M177 A195T76-I79 WeakPolarHBondContact CB-O 3.34Å; T76-I79 PolarHBondContact O-N 3Å; T76-I79 PolarHBondContact OG1-O 3.4Å; G77-I79 VanDerWaalsContact C-N 3.33Å; I79-L124 HydrophobicContact CG2-CB 4.34Å; I79-L124 HydrophobicContact CG2-CD1 3.96Å; I79-L124 HydrophobicContact CG2-CD2 3.75Å; I79-L124 HydrophobicContact CG2-CG 4.2Å; I79-V125 WeakPolarHBondContact CA-O 3.33Å; I79-H126 HydrophobicContact CG1-CB 4.01Å; I79-I132 HydrophobicContact CD1-CD1 3.5Å; I79-I132 VanDerWaalsContact CD1-CD1 3.5Å; I79-I132 HydrophobicContact CD1-CG1 4.4Å; I79-I132 HydrophobicContact CG1-CD1 4.16Å; I79-L140 HydrophobicContact CD1-CD1 4.17Å; I79-M177 HydrophobicContact CD1-CB 4.49Å; I79-M177 HydrophobicContact CD1-CG 4.1Å; I79-M177 HydrophobicContact CD1-SD 3.17Å; I79-M177 WeakPolarHBondContact CD1-SD 3.47Å; I79-M177 HydrophobicContact CG1-CG 4.38Å; I79-M177 HydrophobicContact CG1-SD 3.77Å; I79-A195 HydrophobicContact CB-CB 4.27Å; I79-A195 HydrophobicContact CG2-CB 4.08Å
80M86Confident82Confident0 Ų039.5 Ų39.50%022%0.223CC..EExtended strand (participates in β ladder)trans-153.1147.2171-164.2179-66.700110.8F69 T72 T76 E84 L85 K88 L124 V125F69-M80 HydrophobicContact CD2-CB 4.12Å; F69-M80 HydrophobicContact CE2-CB 3.9Å; T72-M80 HydrophobicContact CG2-CE 4.07Å; T72-M80 WeakPolarHBondContact OG1-CE 3.18Å; T76-M80 HydrophobicContact CG2-CE 4.18Å; M80-E84 HydrophobicContact CG-CB 3.75Å; M80-E84 HydrophobicContact CG-CG 3.85Å; M80-E84 VanDerWaalsContact CG-OE2 3.3Å; M80-E84 WeakPolarHBondContact CG-OE2 3.38Å; M80-E84 HydrophobicContact SD-CB 4.09Å; M80-E84 HydrophobicContact SD-CG 3.85Å; M80-L85 HydrophobicContact CG-CB 4.31Å; M80-L85 WeakPolarHBondContact SD-CA 3.37Å; M80-L85 HydrophobicContact SD-CB 3.6Å; M80-L85 VanDerWaalsContact SD-CB 3.6Å; M80-L85 HydrophobicContact SD-CD1 4.08Å; M80-L85 HydrophobicContact SD-CG 4.45Å; M80-L85 PolarHBondContact SD-N 3Å; M80-K88 HydrophobicContact CE-CD 3.98Å; M80-K88 HydrophobicContact SD-CD 4.2Å; M80-L124 WeakPolarHBondContact O-CA 3.36Å; M80-V125 PolarHBondContact N-O 3.29Å; M80-V125 PolarHBondContact O-N 3.28Å
81T85.4Confident81.6Confident16 Ų1642.4 Ų42.410%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-69151.7167.969.20000110.8D83 E84 L85 F119 L124 F196T81-D83 PolarHBondContact O-N 3.3Å; T81-E84 PolarHBondContact O-N 3.49Å; T81-E84 WeakPolarHBondContact OG1-CB 3.45Å; T81-E84 PolarHBondContact OG1-N 3.01Å; T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 PolarHBondContact O-N 2.81Å; T81-F119 HydrophobicContact CG2-CE1 4.49Å; T81-F119 HydrophobicContact CG2-CZ 3.84Å; T81-L124 HydrophobicContact CG2-CD2 4.01Å; T81-F196 HydrophobicContact CG2-CD1 4.39Å; T81-F196 HydrophobicContact CG2-CE1 4.35Å
82I82Confident80.8Confident9 Ų941.7 Ų41.75%0.04622%0.223CC..Hα-helixtrans-60.4-37.3173.6-68.6-173.5000111L85 R86 I101 T102 I116 Y123 V125I82-L85 PolarHBondContact O-N 3.4Å; I82-R86 WeakPolarHBondContact O-CB 3.35Å; I82-R86 PolarHBondContact O-N 2.96Å; I82-I101 HydrophobicContact CG2-CG2 3.82Å; I82-T102 HydrophobicContact CD1-CG2 4.07Å; I82-T102 HydrophobicContact CG2-CG2 4.08Å; I82-I116 HydrophobicContact CD1-CD1 4.5Å; I82-I116 HydrophobicContact CD1-CG2 4.03Å; I82-Y123 HydrophobicContact CD1-CD2 4.43Å; I82-Y123 HydrophobicContact CD1-CG 4.05Å; I82-Y123 PolarHBondContact N-O 3Å; I82-V125 HydrophobicContact CG1-CG2 3.82Å
83D81.7Confident80Confident57 Ų5746.5 Ų46.531%0.30524%0.239SC..Hα-helixtrans-66.6-38-179.7-86.2-19.5000112.1T81 R86 A87 K98T81-D83 PolarHBondContact O-N 3.3Å; D83-R86 WeakPolarHBondContact O-CB 3.46Å; D83-A87 PolarHBondContact O-N 3.16Å; D83-K98 WeakPolarHBondContact OD1-CE 3.35Å; D83-K98 IonicContact OD1-NZ 3.94Å; D83-K98 PolarHBondContact OD1-NZ 3Å; D83-K98 VanDerWaalsContact OD1-NZ 3.14Å; D83-K98 IonicContact OD2-NZ 2.97Å; D83-K98 PolarHBondContact OD2-NZ 2.76Å
84E83Confident78.9Confident23 Ų2348.7 Ų48.711%0.10727%0.265CS..Hα-helixtrans-70.1-44.5173.5-174.8-170.4170.700112M80 T81 R86 A87 K88M80-E84 HydrophobicContact CG-CB 3.75Å; M80-E84 HydrophobicContact CG-CG 3.85Å; M80-E84 VanDerWaalsContact CG-OE2 3.3Å; M80-E84 WeakPolarHBondContact CG-OE2 3.38Å; M80-E84 HydrophobicContact SD-CB 4.09Å; M80-E84 HydrophobicContact SD-CG 3.85Å; T81-E84 PolarHBondContact O-N 3.49Å; T81-E84 WeakPolarHBondContact OG1-CB 3.45Å; T81-E84 PolarHBondContact OG1-N 3.01Å; E84-R86 PolarHBondContact O-N 2.81Å; E84-A87 PolarHBondContact O-N 3.04Å; E84-K88 HydrophobicContact CG-CD 4.42Å; E84-K88 WeakPolarHBondContact O-CG 3.45Å; E84-K88 PolarHBondContact O-N 3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.3Å; E84-K88 IonicContact OE1-NZ 3.25Å; E84-K88 PolarHBondContact OE1-NZ 2.94Å
85L84.9Confident78.1Confident3 Ų344.2 Ų44.22%0.01625%0.253CS..Hα-helixtrans-57.4-42.9176.417958.1000110.3M65 V68 F69 M80 T81 I82 K88 V89 V125M65-L85 HydrophobicContact CB-CD2 4.24Å; M65-L85 HydrophobicContact CG-CD2 4.33Å; M65-L85 HydrophobicContact CG-CG 4.49Å; V68-L85 HydrophobicContact CB-CD1 4.2Å; V68-L85 HydrophobicContact CG1-CD1 3.87Å; F69-L85 HydrophobicContact CB-CD1 4.18Å; M80-L85 HydrophobicContact CG-CB 4.31Å; M80-L85 WeakPolarHBondContact SD-CA 3.37Å; M80-L85 HydrophobicContact SD-CB 3.6Å; M80-L85 VanDerWaalsContact SD-CB 3.6Å; M80-L85 HydrophobicContact SD-CD1 4.08Å; M80-L85 HydrophobicContact SD-CG 4.45Å; M80-L85 PolarHBondContact SD-N 3Å; T81-L85 WeakPolarHBondContact O-CB 3.46Å; T81-L85 PolarHBondContact O-N 2.81Å; I82-L85 PolarHBondContact O-N 3.4Å; L85-K88 PolarHBondContact O-N 3.33Å; L85-V89 HydrophobicContact CD1-CG2 4.15Å; L85-V89 HydrophobicContact CG-CG2 4.45Å; L85-V89 WeakPolarHBondContact O-CB 3.49Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 2.83Å; L85-V125 HydrophobicContact CD2-CB 4.48Å; L85-V125 HydrophobicContact CD2-CG2 3.98Å
86R79.8Confident77.1Confident53 Ų5340.8 Ų40.820%0.223%0.233CC..Hα-helixtrans-58.1-52.9172164.2163.5179.3-119-1.8112.3I82 D83 E84 K88 V89 M90 K98 I101I82-R86 WeakPolarHBondContact O-CB 3.35Å; I82-R86 PolarHBondContact O-N 2.96Å; D83-R86 WeakPolarHBondContact O-CB 3.46Å; E84-R86 PolarHBondContact O-N 2.81Å; R86-K88 PolarHBondContact O-N 3.47Å; R86-V89 PolarHBondContact O-N 3.37Å; R86-M90 HydrophobicContact CG-CG 4.08Å; R86-M90 HydrophobicContact CG-SD 3.72Å; R86-M90 PolarHBondContact NE-SD 2.91Å; R86-M90 WeakPolarHBondContact O-CB 3.41Å; R86-M90 VanDerWaalsContact O-CG 3.29Å; R86-M90 WeakPolarHBondContact O-CG 3.35Å; R86-M90 PolarHBondContact O-N 2.97Å; R86-K98 VanDerWaalsContact CZ-CB 3.44Å; R86-K98 VanDerWaalsContact NH2-N 3.2Å; R86-I101 HydrophobicContact CB-CD1 3.61Å; R86-I101 HydrophobicContact CB-CG2 4.3Å; R86-I101 HydrophobicContact CG-CD1 3.73Å
87A83Confident75.9Confident55 Ų5542 Ų4246%0.45524%0.241SC..Hα-helixtrans-56.3-41.5-177.600000111.1D83 E84 M90 K91D83-A87 PolarHBondContact O-N 3.16Å; E84-A87 PolarHBondContact O-N 3.04Å; A87-M90 PolarHBondContact O-N 2.82Å; A87-K91 WeakPolarHBondContact O-CB 3.38Å; A87-K91 PolarHBondContact O-N 2.75Å
88K84.3Confident74.8Confident56 Ų5646.2 Ų46.224%0.24326%0.258CS..Hα-helixtrans-71.5-38.9178.2-64.9-175.1-175.7172.70113.2V68 T72 M80 E84 L85 R86 K91 S92V68-K88 HydrophobicContact CG1-CB 3.38Å; V68-K88 HydrophobicContact CG1-CD 4.22Å; V68-K88 HydrophobicContact CG1-CG 4.44Å; T72-K88 HydrophobicContact CG2-CD 3.69Å; M80-K88 HydrophobicContact CE-CD 3.98Å; M80-K88 HydrophobicContact SD-CD 4.2Å; E84-K88 HydrophobicContact CG-CD 4.42Å; E84-K88 WeakPolarHBondContact O-CG 3.45Å; E84-K88 PolarHBondContact O-N 3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.3Å; E84-K88 IonicContact OE1-NZ 3.25Å; E84-K88 PolarHBondContact OE1-NZ 2.94Å; L85-K88 PolarHBondContact O-N 3.33Å; R86-K88 PolarHBondContact O-N 3.47Å; K88-K91 PolarHBondContact O-N 3.49Å; K88-S92 PolarHBondContact O-N 3.11Å; K88-S92 PolarHBondContact O-OG 3.12Å
89V83.3Confident73.7Confident0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-66.8-37.4172.7170.60000111.5L61 Q64 M65 V68 L85 R86 S92 R93 I101L61-V89 HydrophobicContact CD1-CG1 4.11Å; Q64-V89 HydrophobicContact CG-CG1 4.34Å; Q64-V89 PolarHBondContact NE2-O 2.76Å; M65-V89 HydrophobicContact CG-CG2 4Å; V68-V89 HydrophobicContact CB-CG2 4.02Å; V68-V89 HydrophobicContact CG1-CG2 4.24Å; V68-V89 HydrophobicContact CG2-CG2 3.85Å; L85-V89 HydrophobicContact CD1-CG2 4.15Å; L85-V89 HydrophobicContact CG-CG2 4.45Å; L85-V89 WeakPolarHBondContact O-CB 3.49Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 2.83Å; R86-V89 PolarHBondContact O-N 3.37Å; V89-S92 WeakPolarHBondContact CA-OG 3.22Å; V89-S92 PolarHBondContact O-N 3.33Å; V89-S92 PolarHBondContact O-OG 3.12Å; V89-R93 PolarHBondContact O-N 2.93Å; V89-R93 VanDerWaalsContact O-N 3.12Å; V89-I101 HydrophobicContact CB-CD1 4.39Å; V89-I101 HydrophobicContact CG1-CD1 4.28Å
90M76.7Confident72.5Confident54 Ų5448.9 Ų48.927%0.26627%0.271SS..Hα-helixtrans-67.9-41175.3-74.6-177.470.600111.7R86 A87 S92 R93 G94 A96R86-M90 HydrophobicContact CG-CG 4.08Å; R86-M90 HydrophobicContact CG-SD 3.72Å; R86-M90 PolarHBondContact NE-SD 2.91Å; R86-M90 WeakPolarHBondContact O-CB 3.41Å; R86-M90 VanDerWaalsContact O-CG 3.29Å; R86-M90 WeakPolarHBondContact O-CG 3.35Å; R86-M90 PolarHBondContact O-N 2.97Å; A87-M90 PolarHBondContact O-N 2.82Å; M90-S92 PolarHBondContact O-N 3.15Å; M90-R93 PolarHBondContact O-N 3.36Å; M90-R93 VanDerWaalsContact O-N 3.12Å; M90-G94 PolarHBondContact O-N 2.96Å; M90-A96 WeakPolarHBondContact CE-O 3.2Å; M90-A96 HydrophobicContact CG-CB 4.21Å; M90-A96 WeakPolarHBondContact CG-O 3.45Å
91K75.8Confident71.2Confident166 Ų16649.2 Ų49.272%0.72227%0.273SS*.Hα-helixtrans-58.8-28174.6-166.6171.2-175.4170.60111.8A87 K88 D202A87-K91 WeakPolarHBondContact O-CB 3.38Å; A87-K91 PolarHBondContact O-N 2.75Å; K88-K91 PolarHBondContact O-N 3.49Å; K91-D202 IonicContact NZ-OD2 2.76Å; K91-D202 PolarHBondContact NZ-OD2 3.43Å
92S71.3Confident69.9Low70 Ų7050.5 Ų50.549%0.4928%0.281SS..Hα-helixtrans-88.2-19.8175.846.30000115.4Q64 K88 V89 M90Q64-S92 PolarHBondContact NE2-OG 2.79Å; K88-S92 PolarHBondContact O-N 3.11Å; K88-S92 PolarHBondContact O-OG 3.12Å; V89-S92 WeakPolarHBondContact CA-OG 3.22Å; V89-S92 PolarHBondContact O-N 3.33Å; V89-S92 PolarHBondContact O-OG 3.12Å; M90-S92 PolarHBondContact O-N 3.15Å
93R64.9Low68.6Low120 Ų12056.7 Ų56.745%0.45330%0.303SS..Hα-helixtrans-120.1-5.7-178.9-96.5-167.2-170.5-148.9-1.2117E60 V89 M90 S95E60-R93 IonicContact OE2-NH1 3.27Å; E60-R93 IonicContact OE2-NH2 2.64Å; E60-R93 PolarHBondContact OE2-NH2 2.76Å; V89-R93 PolarHBondContact O-N 2.93Å; V89-R93 VanDerWaalsContact O-N 3.12Å; M90-R93 PolarHBondContact O-N 3.36Å; M90-R93 VanDerWaalsContact O-N 3.12Å; R93-S95 VanDerWaalsContact C-N 3.29Å; R93-S95 PolarHBondContact O-N 3.45Å; R93-S95 VanDerWaalsContact O-N 3.15Å
94G58.2Low67.3Low70 Ų7056.2 Ų56.272%0.72230%0.299SS*.SBendtrans77.9-20.6175.700000116.9M90M90-G94 PolarHBondContact O-N 2.96Å
95S56.5Low65.9Low78 Ų7855.3 Ų55.355%0.54530%0.296SS..  trans-172.286.3175.6176.60000114.2R93R93-S95 VanDerWaalsContact C-N 3.29Å; R93-S95 PolarHBondContact O-N 3.45Å; R93-S95 VanDerWaalsContact O-N 3.15Å
96A58.4Low64.3Low10 Ų1057.5 Ų57.58%0.08331%0.311CS..  trans-113.3138.9160.300000109.5M90M90-A96 WeakPolarHBondContact CE-O 3.2Å; M90-A96 HydrophobicContact CG-CB 4.21Å; M90-A96 WeakPolarHBondContact CG-O 3.45Å
97S56.4Low63.1Low29 Ų2960.5 Ų60.520%0.20333%0.329CS..  trans-82.5161.9-178.473.70000112.7D99 E100S97-D99 VanDerWaalsContact C-N 3.3Å; S97-D99 PolarHBondContact O-N 3.01Å; S97-E100 PolarHBondContact N-OE2 3.33Å; S97-E100 PolarHBondContact O-N 3.35Å; S97-E100 WeakPolarHBondContact OG-CG 3.48Å; S97-E100 PolarHBondContact OG-OE2 2.88Å
98K53.5Low62Low95 Ų9567.2 Ų67.241%0.41335%0.348SS..Hα-helixtrans-52.8-50.2178.3-164.9166.8177.71520111D83 R86 E100 I101 T102D83-K98 WeakPolarHBondContact OD1-CE 3.35Å; D83-K98 IonicContact OD1-NZ 3.94Å; D83-K98 PolarHBondContact OD1-NZ 3Å; D83-K98 VanDerWaalsContact OD1-NZ 3.14Å; D83-K98 IonicContact OD2-NZ 2.97Å; D83-K98 PolarHBondContact OD2-NZ 2.76Å; R86-K98 VanDerWaalsContact CZ-CB 3.44Å; R86-K98 VanDerWaalsContact NH2-N 3.2Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 3.35Å; K98-I101 PolarHBondContact O-N 3.42Å; K98-T102 PolarHBondContact O-N 3.4Å; K98-T102 PolarHBondContact O-OG1 2.99Å
99D58Low61.1Low54 Ų5465.9 Ų65.929%0.28935%0.347SS..Hα-helixtrans-65.3-29.4-173.2-61.4-41.6000113.4K27 S97 R103K27-D99 HydrophobicContact CD-CB 4.45Å; K27-D99 WeakPolarHBondContact CE-OD2 3.3Å; K27-D99 IonicContact NZ-OD2 3.35Å; K27-D99 PolarHBondContact NZ-OD2 2.96Å; S97-D99 VanDerWaalsContact C-N 3.3Å; S97-D99 PolarHBondContact O-N 3.01Å; D99-R103 WeakPolarHBondContact O-CB 3.23Å; D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.13Å
100E60Low60.6Low9 Ų966.4 Ų66.44%0.04235%0.35CS..Hα-helixtrans-67.1-39.9-179.8-76.4173.4148.900111.9P23 R26 S97 K98 H104P23-E100 VanDerWaalsContact CA-OE1 3.3Å; P23-E100 WeakPolarHBondContact CA-OE1 3.05Å; P23-E100 WeakPolarHBondContact CB-OE1 3.45Å; R26-E100 IonicContact CZ-OE1 2.82Å; R26-E100 IonicContact NE-OE1 3.9Å; R26-E100 PolarHBondContact NE-OE1 2.86Å; R26-E100 IonicContact NH2-OE1 2.66Å; R26-E100 PolarHBondContact NH2-OE1 3.2Å; S97-E100 PolarHBondContact N-OE2 3.33Å; S97-E100 PolarHBondContact O-N 3.35Å; S97-E100 WeakPolarHBondContact OG-CG 3.48Å; S97-E100 PolarHBondContact OG-OE2 2.88Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 3.35Å; E100-H104 WeakPolarHBondContact O-CB 3.34Å; E100-H104 PolarHBondContact O-N 2.88Å
101I59.2Low60.5Low6 Ų664.9 Ų64.93%0.03135%0.348CS..Hα-helixtrans-77.9-48.6-178.2-65-171.9000110.7M65 I82 R86 V89 K98M65-I101 HydrophobicContact CE-CB 3.7Å; M65-I101 HydrophobicContact CE-CD1 3.85Å; M65-I101 HydrophobicContact CE-CG1 3.4Å; M65-I101 VanDerWaalsContact CE-CG1 3.4Å; M65-I101 HydrophobicContact CE-CG2 3.42Å; M65-I101 VanDerWaalsContact CE-CG2 3.42Å; M65-I101 HydrophobicContact SD-CG2 4.35Å; I82-I101 HydrophobicContact CG2-CG2 3.82Å; R86-I101 HydrophobicContact CB-CD1 3.61Å; R86-I101 HydrophobicContact CB-CG2 4.3Å; R86-I101 HydrophobicContact CG-CD1 3.73Å; V89-I101 HydrophobicContact CB-CD1 4.39Å; V89-I101 HydrophobicContact CG1-CD1 4.28Å; K98-I101 PolarHBondContact O-N 3.42Å
102T57.6Low60.5Low43 Ų4363 Ų6326%0.26435%0.353SS..Hα-helixtrans-70.7-40-174.1-17.50000112.4I82 K98I82-T102 HydrophobicContact CD1-CG2 4.07Å; I82-T102 HydrophobicContact CG2-CG2 4.08Å; K98-T102 PolarHBondContact O-N 3.4Å; K98-T102 PolarHBondContact O-OG1 2.99Å
103R55.4Low60.9Low139 Ų13961.4 Ų61.453%0.52535%0.348SS..Hα-helixtrans-87.4-35.4-174.7-71.5-176.7-178.7178.2-0.2113.8D31 D99 S106D31-R103 IonicContact OD1-NH1 3.69Å; D99-R103 WeakPolarHBondContact O-CB 3.23Å; D99-R103 PolarHBondContact O-N 2.85Å; D99-R103 VanDerWaalsContact O-N 3.13Å; R103-S106 PolarHBondContact O-OG 2.92Å
104H53.4Low61.7Low48 Ų4857 Ų5722%0.22233%0.332CS..Hα-helixtrans-113.6-29.9-163-64.342.1000114.2L30 L41 Y58 E100 S106L30-H104 WeakPolarHBondContact CD1-NE2 3.21Å; L41-H104 HydrophobicContact CD1-CB 4.11Å; L41-H104 WeakPolarHBondContact CD1-CD2 3.29Å; Y58-H104 HydrophobicContact CD1-CB 3.87Å; Y58-H104 HydrophobicContact CE1-CB 3.41Å; Y58-H104 VanDerWaalsContact CE1-CB 3.41Å; Y58-H104 AromaticContact CE1-CD2 3.89Å; Y58-H104 AromaticContact CE1-CG 3.98Å; Y58-H104 AromaticContact CZ-CD2 3.79Å; Y58-H104 PolarHBondContact OH-CD2 3.16Å; E100-H104 WeakPolarHBondContact O-CB 3.34Å; E100-H104 PolarHBondContact O-N 2.88Å; H104-S106 PolarHBondContact O-N 2.89Å
105A52.6Low62.8Low3 Ų355.7 Ų55.73%0.02531%0.31CS..SBendtrans-79.8-0.5167.600000112.8M65 M107M65-A105 HydrophobicContact CE-CB 3.35Å; M65-A105 HydrophobicContact SD-CB 3.33Å; M65-A105 WeakPolarHBondContact SD-CB 3.3Å; A105-M107 PolarHBondContact O-N 2.87Å
106S52.8Low64Low50 Ų5053.4 Ų53.435%0.3529%0.291SS..THydrogen-bonded Turntrans-53.9115.1-17952.30000112.2R103 H104 K108R103-S106 PolarHBondContact O-OG 2.92Å; H104-S106 PolarHBondContact O-N 2.89Å; S106-K108 PolarHBondContact O-N 3.3Å
107M53.7Low65.1Low116 Ų11654.2 Ų54.257%0.57130%0.295SS*.THydrogen-bonded Turntrans55.2-50.4168.7-57.1-136.6-67.800118.5A105 I116A105-M107 PolarHBondContact O-N 2.87Å; M107-I116 HydrophobicContact CG-CB 3.91Å; M107-I116 HydrophobicContact CG-CD1 3.89Å; M107-I116 HydrophobicContact CG-CG1 3.94Å; M107-I116 HydrophobicContact SD-CB 4Å
108K59.9Low66Low196 Ų19659 Ų5985%0.85231%0.313SS*.THydrogen-bonded Turntrans-71.4-34.1-176.5-69.8-175.3-179.6176.40112.8S106S106-K108 PolarHBondContact O-N 3.3Å
109A65.6Low67.1Low27 Ų2754.8 Ų54.822%0.22329%0.294CS..THydrogen-bonded Turntrans-80.3-35.2-17200000112.4A62 G111A62-A109 HydrophobicContact CB-CB 3.51Å; A62-A109 WeakPolarHBondContact CB-O 3.42Å; A109-G111 PolarHBondContact O-N 2.89Å
110L73.8Confident68Low11 Ų1154.6 Ų54.66%0.05831%0.305CS..THydrogen-bonded Turntrans-66.4-21.3175-63.5176.1000112.4M65 I66 F114 I116 V125M65-L110 HydrophobicContact CB-CD2 3.67Å; M65-L110 HydrophobicContact SD-CD2 4.21Å; I66-L110 WeakPolarHBondContact CD1-O 3.27Å; I66-L110 HydrophobicContact CG1-CD2 3.91Å; L110-F114 HydrophobicContact CB-CB 3.81Å; L110-F114 HydrophobicContact CB-CD2 4.02Å; L110-F114 HydrophobicContact CB-CG 4.09Å; L110-F114 HydrophobicContact CD1-CB 4.12Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; L110-I116 HydrophobicContact CD1-CD1 4.15Å; L110-I116 HydrophobicContact CD1-CG1 4.35Å; L110-V125 HydrophobicContact CD1-CG1 3.9Å
111G72.8Confident68.9Low23 Ų2362.2 Ų62.224%0.23735%0.346CS..  trans82.3178.6179.800000113.2A109 G113 F114A109-G111 PolarHBondContact O-N 2.89Å; G111-G113 PolarHBondContact O-N 3.29Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G111-F114 PolarHBondContact O-N 2.83Å
112P75.7Confident69.9Low127 Ų12762.9 Ų62.983%0.82535%0.349SS*.THydrogen-bonded Turntrans-69.9-9.3-169.829.6-36.7000114.2F114 I128P112-F114 VanDerWaalsContact C-N 3.28Å; P112-I128 VanDerWaalsContact O-CD1 3.3Å; P112-I128 WeakPolarHBondContact O-CD1 3.41Å
113G80.9Confident71.1Confident36 Ų3665.5 Ų65.537%0.37136%0.355SS..THydrogen-bonded Turntrans-81.2-4.8178.300000114.3G111 S127 I128G111-G113 PolarHBondContact O-N 3.29Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G113-S127 CarbonylContact O-C 3.05Å; G113-S127 VanDerWaalsContact O-CA 3.29Å; G113-S127 WeakPolarHBondContact O-CA 3.09Å; G113-I128 PolarHBondContact O-N 3.17Å
114F81.7Confident72.4Confident28 Ų2858.9 Ų58.912%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-128.9144.6-176.7-64.6-87000111.3I66 F69 M70 L110 G111 P112 V125 H126I66-F114 HydrophobicContact CB-CE2 4.31Å; I66-F114 HydrophobicContact CB-CZ 4.39Å; I66-F114 HydrophobicContact CD1-CE2 4.16Å; I66-F114 HydrophobicContact CG1-CD2 4.24Å; I66-F114 HydrophobicContact CG1-CE2 3.68Å; I66-F114 HydrophobicContact CG1-CZ 4.15Å; I66-F114 HydrophobicContact CG2-CE2 3.89Å; I66-F114 HydrophobicContact CG2-CZ 3.87Å; F69-F114 HydrophobicContact CD1-CD1 4.27Å; F69-F114 AromaticContact CD1-CE1 3.44Å; F69-F114 HydrophobicContact CD1-CE1 3.44Å; F69-F114 VanDerWaalsContact CD1-CE1 3.44Å; F69-F114 HydrophobicContact CD1-CZ 4.3Å; F69-F114 HydrophobicContact CE1-CD1 4.21Å; F69-F114 AromaticContact CE1-CE1 3.66Å; F69-F114 HydrophobicContact CE1-CE1 3.66Å; F69-F114 HydrophobicContact CG-CE1 4.03Å; F69-F114 HydrophobicContact CZ-CE1 4.43Å; M70-F114 HydrophobicContact SD-CZ 4.32Å; L110-F114 HydrophobicContact CB-CB 3.81Å; L110-F114 HydrophobicContact CB-CD2 4.02Å; L110-F114 HydrophobicContact CB-CG 4.09Å; L110-F114 HydrophobicContact CD1-CB 4.12Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; G111-F114 PolarHBondContact O-N 2.83Å; P112-F114 VanDerWaalsContact C-N 3.28Å; F114-V125 HydrophobicContact CD1-CG1 4.23Å; F114-H126 CarbonylContact C-O 3.5Å; F114-H126 WeakPolarHBondContact CA-O 3.14Å
115T81.8Confident73.9Confident42 Ų4256.7 Ų56.726%0.25832%0.32SS..EExtended strand (participates in β ladder)trans-121.7140.3174.8-60.10000108.9V125 H126 I128T115-V125 WeakPolarHBondContact O-CA 3.32Å; T115-H126 VanDerWaalsContact CB-CE1 3.46Å; T115-H126 WeakPolarHBondContact CB-CE1 3.38Å; T115-H126 WeakPolarHBondContact CB-NE2 3.29Å; T115-H126 WeakPolarHBondContact CG2-NE2 3.48Å; T115-H126 PolarHBondContact N-O 3.31Å; T115-H126 PolarHBondContact O-CD2 2.76Å; T115-H126 PolarHBondContact O-N 3.04Å; T115-I128 WeakPolarHBondContact OG1-CG1 3.12Å
116I81.4Confident75.4Confident29 Ų2956.8 Ų56.815%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-109.8116.5170.2-54.5-174.4000108I82 M107 L110 Y123 L124 V125I82-I116 HydrophobicContact CD1-CD1 4.5Å; I82-I116 HydrophobicContact CD1-CG2 4.03Å; M107-I116 HydrophobicContact CG-CB 3.91Å; M107-I116 HydrophobicContact CG-CD1 3.89Å; M107-I116 HydrophobicContact CG-CG1 3.94Å; M107-I116 HydrophobicContact SD-CB 4Å; L110-I116 HydrophobicContact CD1-CD1 4.15Å; L110-I116 HydrophobicContact CD1-CG1 4.35Å; I116-Y123 HydrophobicContact CG2-CD1 3.93Å; I116-Y123 HydrophobicContact CG2-CG 4.27Å; I116-L124 CarbonylContact C-O 3.56Å; I116-L124 VanDerWaalsContact CA-O 3.23Å; I116-L124 WeakPolarHBondContact CA-O 3.35Å; I116-V125 HydrophobicContact CG1-CG2 4.33Å
117T80.3Confident76.7Confident28 Ų2855.7 Ų55.717%0.17231%0.312CS..EExtended strand (participates in β ladder)trans-113.6132.9-178.4-58.90000109.4Y123 L124 H126 I132T117-Y123 WeakPolarHBondContact O-CA 3.42Å; T117-L124 PolarHBondContact N-O 2.84Å; T117-L124 PolarHBondContact O-N 3.37Å; T117-H126 PolarHBondContact OG1-NE2 3.31Å; T117-I132 HydrophobicContact CG2-CG2 4.43Å
118K76.6Confident77.4Confident130 Ų13054.6 Ų54.657%0.56531%0.308SS*.EExtended strand (participates in β ladder)trans-72.2132.4173.3-174.2179177.4-178.20109.3G120 Y123K118-G120 WeakPolarHBondContact CE-O 3.33Å; K118-Y123 HydrophobicContact CB-CD1 4.07Å; K118-Y123 HydrophobicContact CB-CE1 3.88Å; K118-Y123 HydrophobicContact CG-CD1 4.48Å; K118-Y123 HydrophobicContact CG-CE1 4.14Å
119F76.8Confident77.2Confident6 Ų650.7 Ų50.73%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-139114175.179.8-62.4000109.6T81 D121 D122 L124 K144 F196T81-F119 HydrophobicContact CG2-CE1 4.49Å; T81-F119 HydrophobicContact CG2-CZ 3.84Å; F119-D121 PolarHBondContact O-N 3.32Å; F119-D122 HydrophobicContact CD1-CB 4.05Å; F119-D122 WeakPolarHBondContact CD1-O 3.23Å; F119-D122 HydrophobicContact CE1-CB 3.44Å; F119-D122 VanDerWaalsContact CE1-CB 3.44Å; F119-D122 HydrophobicContact CZ-CB 3.81Å; F119-D122 PolarHBondContact N-O 3.14Å; F119-D122 CarbonylContact O-C 3.53Å; F119-D122 PolarHBondContact O-N 3.31Å; F119-L124 HydrophobicContact CB-CD1 4.4Å; F119-L124 HydrophobicContact CB-CG 4.5Å; F119-L124 HydrophobicContact CD1-CB 4.22Å; F119-L124 HydrophobicContact CD1-CD1 4.16Å; F119-L124 HydrophobicContact CD1-CD2 4Å; F119-L124 HydrophobicContact CD1-CG 3.41Å; F119-L124 VanDerWaalsContact CD1-CG 3.41Å; F119-L124 HydrophobicContact CD2-CD1 4.13Å; F119-L124 HydrophobicContact CD2-CD2 4.4Å; F119-L124 HydrophobicContact CD2-CG 4.1Å; F119-L124 HydrophobicContact CE1-CB 4.36Å; F119-L124 HydrophobicContact CE1-CD1 4.46Å; F119-L124 HydrophobicContact CE1-CD2 3.48Å; F119-L124 VanDerWaalsContact CE1-CD2 3.48Å; F119-L124 HydrophobicContact CE1-CG 3.45Å; F119-L124 VanDerWaalsContact CE1-CG 3.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CE2-CD2 3.95Å; F119-L124 HydrophobicContact CE2-CG 4.14Å; F119-L124 HydrophobicContact CG-CD1 3.97Å; F119-L124 HydrophobicContact CG-CD2 4.42Å; F119-L124 HydrophobicContact CG-CG 3.74Å; F119-L124 HydrophobicContact CZ-CD2 3.46Å; F119-L124 VanDerWaalsContact CZ-CD2 3.46Å; F119-L124 HydrophobicContact CZ-CG 3.84Å; F119-K144 HydrophobicContact CE2-CD 3.74Å; F119-K144 HydrophobicContact CZ-CD 4.13Å; F119-F196 AromaticContact CE2-CE1 3.79Å; F119-F196 HydrophobicContact CE2-CE1 3.79Å; F119-F196 HydrophobicContact CE2-CZ 4.17Å; F119-F196 HydrophobicContact CZ-CE1 4.25Å
120G76.4Confident77.2Confident50 Ų5051.3 Ų51.352%0.51530%0.3SS..THydrogen-bonded Turntrans56.8-127.1-168.700000112.2K118 D122K118-G120 WeakPolarHBondContact CE-O 3.33Å; G120-D122 VanDerWaalsContact C-N 3.34Å
121D79.3Confident76.9Confident168 Ų16858.6 Ų58.690%0.89833%0.334SS*.THydrogen-bonded Turntrans-88.84.5176.4-69.1-31.9000114.2F119F119-D121 PolarHBondContact O-N 3.32Å
122D78.8Confident77Confident20 Ų2058.3 Ų58.311%0.10733%0.327CS..EExtended strand (participates in β ladder)trans-127.8179.1-170.2-160.7-4.9000111.1F119 G120 K144F119-D122 HydrophobicContact CD1-CB 4.05Å; F119-D122 WeakPolarHBondContact CD1-O 3.23Å; F119-D122 HydrophobicContact CE1-CB 3.44Å; F119-D122 VanDerWaalsContact CE1-CB 3.44Å; F119-D122 HydrophobicContact CZ-CB 3.81Å; F119-D122 PolarHBondContact N-O 3.14Å; F119-D122 CarbonylContact O-C 3.53Å; F119-D122 PolarHBondContact O-N 3.31Å; G120-D122 VanDerWaalsContact C-N 3.34Å; D122-K144 VanDerWaalsContact CB-NZ 3.33Å; D122-K144 IonicContact OD2-NZ 2.76Å; D122-K144 PolarHBondContact OD2-NZ 3.45Å
123Y82.9Confident77.2Confident99 Ų9955.9 Ų55.939%0.38831%0.307SS..EExtended strand (participates in β ladder)trans-128.8132.4-179.3-66.5-87.2000111I82 I116 T117 K118I82-Y123 HydrophobicContact CD1-CD2 4.43Å; I82-Y123 HydrophobicContact CD1-CG 4.05Å; I82-Y123 PolarHBondContact N-O 3Å; I116-Y123 HydrophobicContact CG2-CD1 3.93Å; I116-Y123 HydrophobicContact CG2-CG 4.27Å; T117-Y123 WeakPolarHBondContact O-CA 3.42Å; K118-Y123 HydrophobicContact CB-CD1 4.07Å; K118-Y123 HydrophobicContact CB-CE1 3.88Å; K118-Y123 HydrophobicContact CG-CD1 4.48Å; K118-Y123 HydrophobicContact CG-CE1 4.14Å
124L83.3Confident77.4Confident0 Ų058.1 Ų58.10%032%0.317CS..EExtended strand (participates in β ladder)trans-96.4138.3170.8-69176.5000109.9I79 M80 T81 I116 T117 F119 I132 L140 F196I79-L124 HydrophobicContact CG2-CB 4.34Å; I79-L124 HydrophobicContact CG2-CD1 3.96Å; I79-L124 HydrophobicContact CG2-CD2 3.75Å; I79-L124 HydrophobicContact CG2-CG 4.2Å; M80-L124 WeakPolarHBondContact O-CA 3.36Å; T81-L124 HydrophobicContact CG2-CD2 4.01Å; I116-L124 CarbonylContact C-O 3.56Å; I116-L124 VanDerWaalsContact CA-O 3.23Å; I116-L124 WeakPolarHBondContact CA-O 3.35Å; T117-L124 PolarHBondContact N-O 2.84Å; T117-L124 PolarHBondContact O-N 3.37Å; F119-L124 HydrophobicContact CB-CD1 4.4Å; F119-L124 HydrophobicContact CB-CG 4.5Å; F119-L124 HydrophobicContact CD1-CB 4.22Å; F119-L124 HydrophobicContact CD1-CD1 4.16Å; F119-L124 HydrophobicContact CD1-CD2 4Å; F119-L124 HydrophobicContact CD1-CG 3.41Å; F119-L124 VanDerWaalsContact CD1-CG 3.41Å; F119-L124 HydrophobicContact CD2-CD1 4.13Å; F119-L124 HydrophobicContact CD2-CD2 4.4Å; F119-L124 HydrophobicContact CD2-CG 4.1Å; F119-L124 HydrophobicContact CE1-CB 4.36Å; F119-L124 HydrophobicContact CE1-CD1 4.46Å; F119-L124 HydrophobicContact CE1-CD2 3.48Å; F119-L124 VanDerWaalsContact CE1-CD2 3.48Å; F119-L124 HydrophobicContact CE1-CG 3.45Å; F119-L124 VanDerWaalsContact CE1-CG 3.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CE2-CD2 3.95Å; F119-L124 HydrophobicContact CE2-CG 4.14Å; F119-L124 HydrophobicContact CG-CD1 3.97Å; F119-L124 HydrophobicContact CG-CD2 4.42Å; F119-L124 HydrophobicContact CG-CG 3.74Å; F119-L124 HydrophobicContact CZ-CD2 3.46Å; F119-L124 VanDerWaalsContact CZ-CD2 3.46Å; F119-L124 HydrophobicContact CZ-CG 3.84Å; L124-I132 HydrophobicContact CD1-CD1 4.42Å; L124-L140 HydrophobicContact CD1-CB 4.26Å; L124-L140 HydrophobicContact CD1-CD1 3.52Å; L124-L140 HydrophobicContact CD1-CG 4.37Å; L124-F196 HydrophobicContact CD2-CE1 4.33Å
125V84.8Confident77.7Confident2 Ų258.5 Ų58.51%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-98.3131.4163.6-173.60000107.6F69 I79 M80 I82 L85 L110 F114 T115 I116F69-V125 HydrophobicContact CD2-CB 4.28Å; F69-V125 HydrophobicContact CD2-CG1 3.96Å; F69-V125 HydrophobicContact CE2-CB 3.89Å; F69-V125 HydrophobicContact CE2-CG1 3.76Å; F69-V125 VanDerWaalsContact CE2-O 3.28Å; F69-V125 WeakPolarHBondContact CE2-O 3.5Å; F69-V125 HydrophobicContact CZ-CG1 4.43Å; I79-V125 WeakPolarHBondContact CA-O 3.33Å; M80-V125 PolarHBondContact N-O 3.29Å; M80-V125 PolarHBondContact O-N 3.28Å; I82-V125 HydrophobicContact CG1-CG2 3.82Å; L85-V125 HydrophobicContact CD2-CB 4.48Å; L85-V125 HydrophobicContact CD2-CG2 3.98Å; L110-V125 HydrophobicContact CD1-CG1 3.9Å; F114-V125 HydrophobicContact CD1-CG1 4.23Å; T115-V125 WeakPolarHBondContact O-CA 3.32Å; I116-V125 HydrophobicContact CG1-CG2 4.33Å
126H83.4Confident78.1Confident4 Ų457.3 Ų57.32%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-143.9155.1174.265.9101.5000111.5G78 I79 F114 T115 T117 K130 I132G78-H126 WeakPolarHBondContact O-CA 3.37Å; I79-H126 HydrophobicContact CG1-CB 4.01Å; F114-H126 CarbonylContact C-O 3.5Å; F114-H126 WeakPolarHBondContact CA-O 3.14Å; T115-H126 VanDerWaalsContact CB-CE1 3.46Å; T115-H126 WeakPolarHBondContact CB-CE1 3.38Å; T115-H126 WeakPolarHBondContact CB-NE2 3.29Å; T115-H126 WeakPolarHBondContact CG2-NE2 3.48Å; T115-H126 PolarHBondContact N-O 3.31Å; T115-H126 PolarHBondContact O-CD2 2.76Å; T115-H126 PolarHBondContact O-N 3.04Å; T117-H126 PolarHBondContact OG1-NE2 3.31Å; H126-K130 PolarHBondContact CE1-O 3.46Å; H126-K130 PolarHBondContact ND1-O 3.44Å; H126-I132 HydrophobicContact CB-CD1 3.9Å; H126-I132 VanDerWaalsContact CD2-CD1 3.45Å; H126-I132 WeakPolarHBondContact CD2-CD1 3.11Å
127S80.7Confident78.4Confident27 Ų2756.6 Ų56.619%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-86.8145.2177.4580000112.4G113 K130G113-S127 CarbonylContact O-C 3.05Å; G113-S127 VanDerWaalsContact O-CA 3.29Å; G113-S127 WeakPolarHBondContact O-CA 3.09Å; S127-K130 VanDerWaalsContact O-CB 3.29Å; S127-K130 WeakPolarHBondContact O-CB 3.01Å; S127-K130 PolarHBondContact O-N 3.25Å; S127-K130 VanDerWaalsContact O-N 3.11Å
128I68.7Low78.9Confident93 Ų9357.5 Ų57.548%0.47732%0.317SS..THydrogen-bonded Turntrans-75.4139.4167.8-61.1-168.1000108.9P112 G113 T115P112-I128 VanDerWaalsContact O-CD1 3.3Å; P112-I128 WeakPolarHBondContact O-CD1 3.41Å; G113-I128 PolarHBondContact O-N 3.17Å; T115-I128 WeakPolarHBondContact OG1-CG1 3.12Å
129P54.7Low79.6Confident115 Ų11551.3 Ų51.375%0.74729%0.29SS*.THydrogen-bonded Turncis-94.61517.637.3-35.3000116.6E131P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 3.37Å
130K67.5Low80.3Confident40 Ų4051 Ų5117%0.17429%0.289CS..  trans-65.692.2-179.2-54.8-170.8175.9-1610110G77 H126 S127 I132 E175 M177G77-K130 PolarHBondContact O-NZ 3.5Å; H126-K130 PolarHBondContact CE1-O 3.46Å; H126-K130 PolarHBondContact ND1-O 3.44Å; S127-K130 VanDerWaalsContact O-CB 3.29Å; S127-K130 WeakPolarHBondContact O-CB 3.01Å; S127-K130 PolarHBondContact O-N 3.25Å; S127-K130 VanDerWaalsContact O-N 3.11Å; K130-I132 PolarHBondContact O-N 3.43Å; K130-I132 VanDerWaalsContact O-N 3.16Å; K130-E175 PolarHBondContact NZ-O 3.22Å; K130-M177 HydrophobicContact CD-SD 4.29Å
131E67Low81Confident164 Ų16450.6 Ų50.677%0.76628%0.28SS*.  trans-77100.3179.2-73-168.7-177.300109.7P129 N133 H136P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 3.37Å; E131-N133 PolarHBondContact O-N 3.38Å; E131-H136 PolarHBondContact O-CE1 3.01Å; E131-H136 PolarHBondContact O-ND1 3.13Å
132I74Confident81.6Confident17 Ų1743.8 Ų43.89%0.08724%0.244CC..  trans-79106.4167-58.7-175.8000107.2I79 T117 L124 H126 K130 H136 S137 L140I79-I132 HydrophobicContact CD1-CD1 3.5Å; I79-I132 VanDerWaalsContact CD1-CD1 3.5Å; I79-I132 HydrophobicContact CD1-CG1 4.4Å; I79-I132 HydrophobicContact CG1-CD1 4.16Å; T117-I132 HydrophobicContact CG2-CG2 4.43Å; L124-I132 HydrophobicContact CD1-CD1 4.42Å; H126-I132 HydrophobicContact CB-CD1 3.9Å; H126-I132 VanDerWaalsContact CD2-CD1 3.45Å; H126-I132 WeakPolarHBondContact CD2-CD1 3.11Å; K130-I132 PolarHBondContact O-N 3.43Å; K130-I132 VanDerWaalsContact O-N 3.16Å; I132-H136 HydrophobicContact CB-CB 4.35Å; I132-H136 HydrophobicContact CG2-CB 3.66Å; I132-S137 WeakPolarHBondContact CG2-OG 3.39Å; I132-L140 HydrophobicContact CD1-CD1 4.16Å; I132-L140 HydrophobicContact CG2-CD1 4.27Å
133N81.4Confident82.2Confident76 Ų7642.9 Ų42.941%0.40624%0.239SC..  trans-87.4-173.4171.966.826.4000110.7E131 D135 H136 S137E131-N133 PolarHBondContact O-N 3.38Å; N133-D135 VanDerWaalsContact C-N 3.27Å; N133-D135 PolarHBondContact O-N 3.41Å; N133-D135 WeakPolarHBondContact OD1-CA 3.46Å; N133-D135 WeakPolarHBondContact OD1-CB 3.16Å; N133-D135 PolarHBondContact OD1-N 3.26Å; N133-H136 PolarHBondContact N-ND1 2.94Å; N133-H136 PolarHBondContact O-N 2.86Å; N133-H136 PolarHBondContact OD1-N 3.47Å; N133-H136 PolarHBondContact OD1-ND1 3.29Å; N133-S137 WeakPolarHBondContact O-CB 3.39Å; N133-S137 PolarHBondContact O-N 2.82Å; N133-S137 PolarHBondContact O-OG 2.92Å
134S84.1Confident82.6Confident83 Ų8342.4 Ų42.458%0.5824%0.239SC*.Hα-helixtrans-62.5-32.8178.752.90000113.4S137 S138S134-S137 PolarHBondContact O-N 2.79Å; S134-S138 WeakPolarHBondContact O-CB 3.3Å; S134-S138 PolarHBondContact O-N 2.74Å; S134-S138 PolarHBondContact O-OG 3.31Å
135D87.8Confident82.8Confident35 Ų3549.6 Ų49.619%0.18727%0.272CS..Hα-helixtrans-71.3-48.9-179.1-73.814.8000110N133 S137 S138 V139 W160 R164 V168N133-D135 VanDerWaalsContact C-N 3.27Å; N133-D135 PolarHBondContact O-N 3.41Å; N133-D135 WeakPolarHBondContact OD1-CA 3.46Å; N133-D135 WeakPolarHBondContact OD1-CB 3.16Å; N133-D135 PolarHBondContact OD1-N 3.26Å; D135-S137 VanDerWaalsContact C-N 3.26Å; D135-S137 PolarHBondContact O-N 3.13Å; D135-S138 PolarHBondContact O-N 3.25Å; D135-S138 VanDerWaalsContact O-N 3.09Å; D135-V139 PolarHBondContact O-N 3.36Å; D135-V139 VanDerWaalsContact O-N 3.08Å; D135-W160 HydrophobicContact CB-CH2 3.59Å; D135-W160 HydrophobicContact CB-CZ2 4.29Å; D135-W160 HydrophobicContact CB-CZ3 4.29Å; D135-R164 IonicContact OD1-CZ 3.44Å; D135-R164 IonicContact OD1-NH2 3.2Å; D135-R164 PolarHBondContact OD1-NH2 3.43Å; D135-R164 IonicContact OD2-CZ 3.89Å; D135-R164 VanDerWaalsContact OD2-CZ 3.27Å; D135-R164 IonicContact OD2-NE 3.14Å; D135-R164 PolarHBondContact OD2-NE 3.2Å; D135-R164 IonicContact OD2-NH2 2.83Å; D135-R164 PolarHBondContact OD2-NH2 2.69Å; D135-V168 HydrophobicContact CB-CG2 4.23Å
136H89.5Confident83Confident17 Ų1754.1 Ų54.18%0.07930%0.296CS..Hα-helixtrans-54-46.2172.7-59.5154.6000110.6E131 I132 N133 S138 V139 L140 H171 F172E131-H136 PolarHBondContact O-CE1 3.01Å; E131-H136 PolarHBondContact O-ND1 3.13Å; I132-H136 HydrophobicContact CB-CB 4.35Å; I132-H136 HydrophobicContact CG2-CB 3.66Å; N133-H136 PolarHBondContact N-ND1 2.94Å; N133-H136 PolarHBondContact O-N 2.86Å; N133-H136 PolarHBondContact OD1-N 3.47Å; N133-H136 PolarHBondContact OD1-ND1 3.29Å; H136-S138 VanDerWaalsContact C-N 3.31Å; H136-S138 PolarHBondContact O-N 3.05Å; H136-V139 PolarHBondContact O-N 2.78Å; H136-L140 WeakPolarHBondContact O-CB 3.38Å; H136-L140 WeakPolarHBondContact O-CD1 3.34Å; H136-L140 VanDerWaalsContact O-CG 3.24Å; H136-L140 WeakPolarHBondContact O-CG 3.34Å; H136-L140 PolarHBondContact O-N 3.41Å; H136-H171 AromaticContact CD2-CD2 3.96Å; H136-H171 AromaticContact CE1-CD2 3.37Å; H136-H171 PolarHBondContact CE1-CD2 2.93Å; H136-H171 AromaticContact CE1-NE2 3.5Å; H136-H171 AromaticContact NE2-CD2 3.26Å; H136-H171 PolarHBondContact NE2-CD2 3.32Å; H136-H171 VanDerWaalsContact NE2-CD2 3.26Å; H136-H171 AromaticContact NE2-CG 3.96Å; H136-H171 AromaticContact NE2-NE2 3.89Å; H136-F172 HydrophobicContact CB-CE1 4.25Å; H136-F172 HydrophobicContact CB-CE2 4.48Å; H136-F172 HydrophobicContact CB-CZ 3.65Å; H136-F172 WeakPolarHBondContact O-CZ 3.43Å
137S88.4Confident83.4Confident15 Ų1554.1 Ų54.111%0.10530%0.297CS..Hα-helixtrans-62.3-36.3178.7-57.40000113.1I132 N133 S134 D135 A141I132-S137 WeakPolarHBondContact CG2-OG 3.39Å; N133-S137 WeakPolarHBondContact O-CB 3.39Å; N133-S137 PolarHBondContact O-N 2.82Å; N133-S137 PolarHBondContact O-OG 2.92Å; S134-S137 PolarHBondContact O-N 2.79Å; D135-S137 VanDerWaalsContact C-N 3.26Å; D135-S137 PolarHBondContact O-N 3.13Å; S137-A141 WeakPolarHBondContact O-CB 3.17Å; S137-A141 PolarHBondContact O-N 3.38Å
138S90.6Very high84Confident46 Ų4655.4 Ų55.432%0.32230%0.299SS..Hα-helixtrans-70.2-42.9-179.7-57.30000111.6S134 D135 H136 A141 L142S134-S138 WeakPolarHBondContact O-CB 3.3Å; S134-S138 PolarHBondContact O-N 2.74Å; S134-S138 PolarHBondContact O-OG 3.31Å; D135-S138 PolarHBondContact O-N 3.25Å; D135-S138 VanDerWaalsContact O-N 3.09Å; H136-S138 VanDerWaalsContact C-N 3.31Å; H136-S138 PolarHBondContact O-N 3.05Å; S138-A141 PolarHBondContact O-N 3.43Å; S138-L142 PolarHBondContact O-N 3Å; S138-L142 VanDerWaalsContact O-N 3.12Å
139V92.3Very high85.2Confident0 Ų051.1 Ų51.10%028%0.277CS..Hα-helixtrans-66.3-41.8175.5172.30000111.1D135 H136 A141 L142 A143 L149 V154 L158 W160 V168 L169 F172 F193D135-V139 PolarHBondContact O-N 3.36Å; D135-V139 VanDerWaalsContact O-N 3.08Å; H136-V139 PolarHBondContact O-N 2.78Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.18Å; V139-L142 PolarHBondContact O-N 2.66Å; V139-A143 WeakPolarHBondContact O-CB 3.23Å; V139-A143 PolarHBondContact O-N 3.4Å; V139-L149 HydrophobicContact CG1-CD1 3.9Å; V139-L149 WeakPolarHBondContact O-CD1 3.47Å; V139-V154 HydrophobicContact CG1-CG2 4.42Å; V139-V154 HydrophobicContact CG2-CG1 4.07Å; V139-V154 HydrophobicContact CG2-CG2 4.39Å; V139-L158 HydrophobicContact CG2-CD1 4.19Å; V139-W160 HydrophobicContact CG2-CH2 4.03Å; V139-W160 HydrophobicContact CG2-CZ3 3.73Å; V139-V168 HydrophobicContact CB-CG1 4.04Å; V139-V168 HydrophobicContact CG1-CG1 4.34Å; V139-V168 HydrophobicContact CG2-CB 4.46Å; V139-V168 HydrophobicContact CG2-CG1 3.62Å; V139-L169 HydrophobicContact CG1-CD2 3.81Å; V139-F172 HydrophobicContact CB-CE2 3.97Å; V139-F172 HydrophobicContact CG1-CD2 4.26Å; V139-F172 HydrophobicContact CG1-CE2 3.77Å; V139-F193 HydrophobicContact CG1-CZ 4.09Å
140L91.7Very high87.2Confident1 Ų146.2 Ų46.21%0.00525%0.245CC..Hα-helixtrans-62.8-38.7175.1-73.3167.2000112.4I79 L124 I132 H136 L142 A143 K144 F172 F193 F196I79-L140 HydrophobicContact CD1-CD1 4.17Å; L124-L140 HydrophobicContact CD1-CB 4.26Å; L124-L140 HydrophobicContact CD1-CD1 3.52Å; L124-L140 HydrophobicContact CD1-CG 4.37Å; I132-L140 HydrophobicContact CD1-CD1 4.16Å; I132-L140 HydrophobicContact CG2-CD1 4.27Å; H136-L140 WeakPolarHBondContact O-CB 3.38Å; H136-L140 WeakPolarHBondContact O-CD1 3.34Å; H136-L140 VanDerWaalsContact O-CG 3.24Å; H136-L140 WeakPolarHBondContact O-CG 3.34Å; H136-L140 PolarHBondContact O-N 3.41Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 3.47Å; L140-A143 PolarHBondContact O-N 2.91Å; L140-K144 PolarHBondContact O-N 2.84Å; L140-K144 VanDerWaalsContact O-N 3.08Å; L140-F172 HydrophobicContact CD1-CE1 3.84Å; L140-F172 HydrophobicContact CD1-CZ 3.81Å; L140-F172 HydrophobicContact CD2-CE1 4.03Å; L140-F172 HydrophobicContact CD2-CZ 4.09Å; L140-F172 HydrophobicContact CG-CE1 3.94Å; L140-F172 HydrophobicContact CG-CE2 4.46Å; L140-F172 HydrophobicContact CG-CZ 3.62Å; L140-F193 HydrophobicContact CD2-CD1 3.65Å; L140-F193 HydrophobicContact CD2-CE1 3.73Å; L140-F196 HydrophobicContact CB-CE2 4.42Å; L140-F196 HydrophobicContact CB-CZ 3.99Å; L140-F196 HydrophobicContact CD2-CE2 3.81Å; L140-F196 HydrophobicContact CD2-CZ 3.75Å; L140-F196 HydrophobicContact CG-CZ 4.47Å; L140-F196 WeakPolarHBondContact O-CE2 3.38Å; L140-F196 VanDerWaalsContact O-CZ 3.27Å; L140-F196 WeakPolarHBondContact O-CZ 3.49Å
141A90.4Very high88.5Confident41 Ų4144.9 Ų44.934%0.33924%0.24SC..Hα-helixtrans-63.8-39175.900000112S137 S138 V139S137-A141 WeakPolarHBondContact O-CB 3.17Å; S137-A141 PolarHBondContact O-N 3.38Å; S138-A141 PolarHBondContact O-N 3.43Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 3.18Å
142L91.8Very high89.8Confident25 Ų2541.3 Ų41.313%0.13122%0.223CC..Hα-helixtrans-69.7-41.7175.5-172.866.3000111.5S138 V139 L140 K144 E145 L149 V154 H157S138-L142 PolarHBondContact O-N 3Å; S138-L142 VanDerWaalsContact O-N 3.12Å; V139-L142 PolarHBondContact O-N 2.66Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 3.47Å; L142-K144 PolarHBondContact O-N 3.21Å; L142-E145 PolarHBondContact O-N 3.26Å; L142-L149 HydrophobicContact CB-CD1 3.94Å; L142-L149 HydrophobicContact CB-CD2 4.32Å; L142-L149 HydrophobicContact CD2-CD1 3.98Å; L142-L149 HydrophobicContact CD2-CD2 3.89Å; L142-L149 HydrophobicContact CG-CD1 4.01Å; L142-L149 HydrophobicContact CG-CD2 3.62Å; L142-L149 HydrophobicContact CG-CG 4.47Å; L142-V154 HydrophobicContact CD2-CG2 4.34Å; L142-H157 HydrophobicContact CD1-CB 3.61Å; L142-H157 HydrophobicContact CD2-CB 3.76Å; L142-H157 HydrophobicContact CG-CB 4.35Å
143A92.3Very high90.7Very high0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-66.8-23.4-18000000113.3V139 L140 E145 N146 G147 L149 F193 F196V139-A143 WeakPolarHBondContact O-CB 3.23Å; V139-A143 PolarHBondContact O-N 3.4Å; L140-A143 PolarHBondContact O-N 2.91Å; A143-E145 PolarHBondContact O-N 2.9Å; A143-N146 PolarHBondContact O-N 3.47Å; A143-G147 WeakPolarHBondContact O-CA 3.35Å; A143-G147 PolarHBondContact O-N 3.27Å; A143-L149 HydrophobicContact CB-CD1 3.6Å; A143-L149 HydrophobicContact CB-CG 3.73Å; A143-F193 HydrophobicContact CB-CD2 3.46Å; A143-F193 VanDerWaalsContact CB-CD2 3.46Å; A143-F193 HydrophobicContact CB-CE2 3.73Å; A143-F193 HydrophobicContact CB-CG 4.02Å; A143-F193 HydrophobicContact CB-CZ 4.47Å; A143-F196 HydrophobicContact CB-CD2 3.91Å; A143-F196 HydrophobicContact CB-CE2 3.67Å
144K89.4Confident91.4Very high89 Ų8939 Ų3939%0.38721%0.211SC..THydrogen-bonded Turntrans-59-27.5179.3-177.3173.1175.5171.20113.1F119 D122 L140 L142 F196F119-K144 HydrophobicContact CE2-CD 3.74Å; F119-K144 HydrophobicContact CZ-CD 4.13Å; D122-K144 VanDerWaalsContact CB-NZ 3.33Å; D122-K144 IonicContact OD2-NZ 2.76Å; D122-K144 PolarHBondContact OD2-NZ 3.45Å; L140-K144 PolarHBondContact O-N 2.84Å; L140-K144 VanDerWaalsContact O-N 3.08Å; L142-K144 PolarHBondContact O-N 3.21Å; K144-F196 HydrophobicContact CB-CD1 4.36Å; K144-F196 HydrophobicContact CB-CE1 4.33Å; K144-F196 HydrophobicContact CB-CZ 4.47Å; K144-F196 HydrophobicContact CG-CD1 4.39Å
145E87.5Confident91.9Very high152 Ų15237.1 Ų37.171%0.7120%0.196SC*.THydrogen-bonded Turntrans-67.8-47.6-177.3-173.3172-174.700112.5L142 A143L142-E145 PolarHBondContact O-N 3.26Å; A143-E145 PolarHBondContact O-N 2.9Å
146N89.6Confident92.2Very high96 Ų9642.3 Ų42.351%0.51322%0.219SC..THydrogen-bonded Turntrans-112.5-9.2-174.4-64.1-54.3000113.8A143 Y148A143-N146 PolarHBondContact O-N 3.47Å; N146-Y148 HydrophobicContact CB-CD1 4.01Å; N146-Y148 HydrophobicContact CB-CE1 3.87Å; N146-Y148 WeakPolarHBondContact O-CD1 3.11Å; N146-Y148 PolarHBondContact O-N 3.43Å
147G92Very high92.5Very high4 Ų446.6 Ų46.64%0.04124%0.239CC..SBendtrans76.3-2.3-170.800000114.3A143 F193 F197A143-G147 WeakPolarHBondContact O-CA 3.35Å; A143-G147 PolarHBondContact O-N 3.27Å; G147-F193 PolarHBondContact O-N 3.23Å; G147-F197 WeakPolarHBondContact O-CE1 3.47Å
148Y94Very high92.7Very high54 Ų5448 Ų4821%0.21225%0.245CC..EExtended strand (participates in β ladder)trans-148.2163.6175.372.6-86.7000111.3N146 A190 Y191 W192N146-Y148 HydrophobicContact CB-CD1 4.01Å; N146-Y148 HydrophobicContact CB-CE1 3.87Å; N146-Y148 WeakPolarHBondContact O-CD1 3.11Å; N146-Y148 PolarHBondContact O-N 3.43Å; Y148-A190 HydrophobicContact CD2-CB 3.88Å; Y148-Y191 CarbonylContact C-O 3.55Å; Y148-Y191 WeakPolarHBondContact CA-O 3.15Å; Y148-Y191 WeakPolarHBondContact CB-O 3.38Å; Y148-W192 HydrophobicContact CD1-CD2 4.4Å; Y148-W192 AromaticContact CD1-CE3 3.85Å; Y148-W192 HydrophobicContact CD1-CE3 3.85Å; Y148-W192 AromaticContact CD1-CH2 3.63Å; Y148-W192 HydrophobicContact CD1-CH2 3.63Å; Y148-W192 HydrophobicContact CD1-CZ2 4.14Å; Y148-W192 AromaticContact CD1-CZ3 3.46Å; Y148-W192 HydrophobicContact CD1-CZ3 3.46Å; Y148-W192 VanDerWaalsContact CD1-CZ3 3.46Å; Y148-W192 HydrophobicContact CE1-CH2 4.06Å; Y148-W192 HydrophobicContact CE1-CZ3 4.26Å; Y148-W192 HydrophobicContact CG-CD2 4.15Å; Y148-W192 AromaticContact CG-CE3 3.99Å; Y148-W192 HydrophobicContact CG-CE3 3.99Å; Y148-W192 HydrophobicContact CG-CH2 4.23Å; Y148-W192 HydrophobicContact CG-CZ2 4.32Å; Y148-W192 HydrophobicContact CG-CZ3 4.06Å
149L94.2Very high92.9Very high3 Ų351.1 Ų51.12%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-144.2152.4173-65.6173.9000111.7V139 L142 A143 D153 V154 Y191V139-L149 HydrophobicContact CG1-CD1 3.9Å; V139-L149 WeakPolarHBondContact O-CD1 3.47Å; L142-L149 HydrophobicContact CB-CD1 3.94Å; L142-L149 HydrophobicContact CB-CD2 4.32Å; L142-L149 HydrophobicContact CD2-CD1 3.98Å; L142-L149 HydrophobicContact CD2-CD2 3.89Å; L142-L149 HydrophobicContact CG-CD1 4.01Å; L142-L149 HydrophobicContact CG-CD2 3.62Å; L142-L149 HydrophobicContact CG-CG 4.47Å; A143-L149 HydrophobicContact CB-CD1 3.6Å; A143-L149 HydrophobicContact CB-CG 3.73Å; L149-D153 HydrophobicContact CB-CB 4.48Å; L149-D153 HydrophobicContact CD2-CB 3.93Å; L149-V154 HydrophobicContact CB-CG2 4.45Å; L149-V154 HydrophobicContact CD1-CG2 3.98Å; L149-Y191 PolarHBondContact N-O 3.09Å; L149-Y191 WeakPolarHBondContact O-CB 3.3Å; L149-Y191 PolarHBondContact O-N 3Å
150T95Very high92.9Very high12 Ų1252.6 Ų52.67%0.07427%0.272CS..  trans-98.1168.6163.563.70000110.6E152 D153 V154 A190T150-E152 WeakPolarHBondContact CB-OE2 3.42Å; T150-E152 PolarHBondContact O-N 2.8Å; T150-D153 WeakPolarHBondContact CB-OD2 3.39Å; T150-D153 PolarHBondContact N-OD2 3Å; T150-D153 PolarHBondContact O-N 3.02Å; T150-D153 PolarHBondContact OG1-N 3.04Å; T150-D153 VanDerWaalsContact OG1-N 3.17Å; T150-D153 PolarHBondContact OG1-OD2 3.26Å; T150-V154 PolarHBondContact O-N 2.92Å; T150-A190 HydrophobicContact CG2-CB 4.49Å
151V94.7Very high92.8Very high13 Ų1354.7 Ų54.78%0.07929%0.29CS..Hα-helixtrans-61.2-38.3173.91750000110.2V154 V155 T162 A165 Q166 L169 Y191V151-V154 PolarHBondContact O-N 2.96Å; V151-V155 HydrophobicContact CG1-CG2 4.36Å; V151-V155 WeakPolarHBondContact O-CG2 3.27Å; V151-V155 PolarHBondContact O-N 3.47Å; V151-T162 HydrophobicContact CG1-CG2 3.78Å; V151-A165 HydrophobicContact CG1-CB 4.08Å; V151-Q166 HydrophobicContact CB-CG 4.5Å; V151-Q166 HydrophobicContact CG1-CG 3.84Å; V151-Q166 HydrophobicContact CG2-CG 3.76Å; V151-L169 HydrophobicContact CG2-CD1 3.89Å; V151-Y191 HydrophobicContact CG2-CE2 4.07Å
152E94.4Very high92.9Very high88 Ų8856.4 Ų56.441%0.41130%0.296SS..Hα-helixtrans-63.2-43.7179.1-65.974.4-170.900111.2T150 V154 V155 E156 S188T150-E152 WeakPolarHBondContact CB-OE2 3.42Å; T150-E152 PolarHBondContact O-N 2.8Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.49Å; E152-V155 PolarHBondContact O-N 2.66Å; E152-E156 WeakPolarHBondContact O-CB 3.42Å; E152-E156 PolarHBondContact O-N 3.48Å; E152-S188 VanDerWaalsContact CD-CB 3.43Å; E152-S188 WeakPolarHBondContact OE1-CB 3.39Å; E152-S188 PolarHBondContact OE1-OG 2.73Å; E152-S188 WeakPolarHBondContact OE2-CB 3.44Å; E152-S188 PolarHBondContact OE2-OG 2.75Å
153D94.7Very high92.8Very high44 Ų4463.5 Ų63.524%0.23532%0.322CS..Hα-helixtrans-56.9-43.4176.4-63.2-43.9000111L149 T150 H157L149-D153 HydrophobicContact CB-CB 4.48Å; L149-D153 HydrophobicContact CD2-CB 3.93Å; T150-D153 WeakPolarHBondContact CB-OD2 3.39Å; T150-D153 PolarHBondContact N-OD2 3Å; T150-D153 PolarHBondContact O-N 3.02Å; T150-D153 PolarHBondContact OG1-N 3.04Å; T150-D153 VanDerWaalsContact OG1-N 3.17Å; T150-D153 PolarHBondContact OG1-OD2 3.26Å; D153-H157 WeakPolarHBondContact O-CB 3.43Å; D153-H157 PolarHBondContact O-N 3.21Å; D153-H157 PolarHBondContact O-ND1 3.44Å
154V94.5Very high92.7Very high0 Ų067.6 Ų67.60%034%0.338CS..Hα-helixtrans-67.7-43.6179179.10000111.5V139 L142 L149 T150 V151 E152 L158 W160 A165 L169V139-V154 HydrophobicContact CG1-CG2 4.42Å; V139-V154 HydrophobicContact CG2-CG1 4.07Å; V139-V154 HydrophobicContact CG2-CG2 4.39Å; L142-V154 HydrophobicContact CD2-CG2 4.34Å; L149-V154 HydrophobicContact CB-CG2 4.45Å; L149-V154 HydrophobicContact CD1-CG2 3.98Å; T150-V154 PolarHBondContact O-N 2.92Å; V151-V154 PolarHBondContact O-N 2.96Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.49Å; V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 VanDerWaalsContact O-CB 3.29Å; V154-L158 WeakPolarHBondContact O-CB 3.34Å; V154-L158 PolarHBondContact O-N 3.29Å; V154-W160 HydrophobicContact CG1-CE3 3.85Å; V154-W160 HydrophobicContact CG1-CZ3 4.27Å; V154-A165 HydrophobicContact CB-CB 3.86Å; V154-A165 HydrophobicContact CG1-CB 3.56Å; V154-L169 HydrophobicContact CG2-CD1 4.16Å
155V94.8Very high92.9Very high45 Ų4563.3 Ų63.327%0.27332%0.319SS..Hα-helixtrans-62.4-44.6178.51680000110.8V151 E152 S159 W160 A165V151-V155 HydrophobicContact CG1-CG2 4.36Å; V151-V155 WeakPolarHBondContact O-CG2 3.27Å; V151-V155 PolarHBondContact O-N 3.47Å; E152-V155 PolarHBondContact O-N 2.66Å; V155-S159 WeakPolarHBondContact O-CA 3.42Å; V155-S159 PolarHBondContact O-N 3.33Å; V155-W160 WeakPolarHBondContact CG1-O 3.26Å; V155-W160 PolarHBondContact O-N 3.12Å; V155-A165 HydrophobicContact CG2-CB 4.03Å
156E95Very high93.1Very high143 Ų14359.8 Ų59.867%0.66830%0.303SS*.Hα-helixtrans-68.4-52.1-178.5-174.8173.4-175.600111.7E152E152-E156 WeakPolarHBondContact O-CB 3.42Å; E152-E156 PolarHBondContact O-N 3.48Å
157H94.8Very high93.2Very high107 Ų10758.6 Ų58.650%0.49530%0.302SS..Hα-helixtrans-79.5-29.5-172.3-66.384.2000113.6L142 D153L142-H157 HydrophobicContact CD1-CB 3.61Å; L142-H157 HydrophobicContact CD2-CB 3.76Å; L142-H157 HydrophobicContact CG-CB 4.35Å; D153-H157 WeakPolarHBondContact O-CB 3.43Å; D153-H157 PolarHBondContact O-N 3.21Å; D153-H157 PolarHBondContact O-ND1 3.44Å
158L93.1Very high93.2Very high46 Ų4658.9 Ų58.924%0.24130%0.303CS..Hα-helixtrans-103.7-4.1-179.8-54.4-174.4000113.5V139 V154 W160V139-L158 HydrophobicContact CG2-CD1 4.19Å; V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 VanDerWaalsContact O-CB 3.29Å; V154-L158 WeakPolarHBondContact O-CB 3.34Å; V154-L158 PolarHBondContact O-N 3.29Å; L158-W160 HydrophobicContact CB-CD2 4.02Å; L158-W160 HydrophobicContact CB-CG 3.91Å; L158-W160 HydrophobicContact CD1-CD2 4.12Å; L158-W160 HydrophobicContact CD1-CE3 4.25Å; L158-W160 HydrophobicContact CD1-CH2 3.86Å; L158-W160 HydrophobicContact CD1-CZ2 3.72Å; L158-W160 HydrophobicContact CD1-CZ3 4.13Å; L158-W160 PolarHBondContact O-N 2.95Å; L158-W160 PolarHBondContact O-NE1 2.85Å
159S94.1Very high93.2Very high110 Ų11056.3 Ų56.377%0.76929%0.293SS*.  trans54.837.4-175.3-58.80000112.8V155V155-S159 WeakPolarHBondContact O-CA 3.42Å; V155-S159 PolarHBondContact O-N 3.33Å
160W93.8Very high93.1Very high31 Ų3161.2 Ų61.212%0.11732%0.316CS..  trans-91.6155.5-179.7-73.57.9000112D135 V139 V154 V155 L158 R164 V168D135-W160 HydrophobicContact CB-CH2 3.59Å; D135-W160 HydrophobicContact CB-CZ2 4.29Å; D135-W160 HydrophobicContact CB-CZ3 4.29Å; V139-W160 HydrophobicContact CG2-CH2 4.03Å; V139-W160 HydrophobicContact CG2-CZ3 3.73Å; V154-W160 HydrophobicContact CG1-CE3 3.85Å; V154-W160 HydrophobicContact CG1-CZ3 4.27Å; V155-W160 WeakPolarHBondContact CG1-O 3.26Å; V155-W160 PolarHBondContact O-N 3.12Å; L158-W160 HydrophobicContact CB-CD2 4.02Å; L158-W160 HydrophobicContact CB-CG 3.91Å; L158-W160 HydrophobicContact CD1-CD2 4.12Å; L158-W160 HydrophobicContact CD1-CE3 4.25Å; L158-W160 HydrophobicContact CD1-CH2 3.86Å; L158-W160 HydrophobicContact CD1-CZ2 3.72Å; L158-W160 HydrophobicContact CD1-CZ3 4.13Å; L158-W160 PolarHBondContact O-N 2.95Å; L158-W160 PolarHBondContact O-NE1 2.85Å; W160-R164 HydrophobicContact CD2-CG 4.31Å; W160-R164 VanDerWaalsContact CE2-CZ 3.45Å; W160-R164 HydrophobicContact CE3-CG 3.9Å; W160-R164 HydrophobicContact CZ3-CG 4.43Å; W160-V168 HydrophobicContact CZ3-CG2 4.08Å
161A89.9Confident92.9Very high45 Ų4563.5 Ų63.537%0.37233%0.325SS..  trans-68.1144167.800000110.7Y163 R164 A165A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 HydrophobicContact CB-CD1 3.62Å; A161-Y163 HydrophobicContact CB-CE1 3.32Å; A161-Y163 PolarHBondContact O-N 2.82Å; A161-R164 WeakPolarHBondContact O-CB 3.38Å; A161-R164 PolarHBondContact O-N 3.14Å; A161-A165 PolarHBondContact O-N 3.2Å; A161-A165 VanDerWaalsContact O-N 3.16Å
162T91.9Very high92.7Very high77 Ų7762.9 Ų62.947%0.47232%0.322SS..Hα-helixtrans-51.8-44.2-177.4-48.70000113.1V151 R164 A165 Q166V151-T162 HydrophobicContact CG1-CG2 3.78Å; T162-R164 VanDerWaalsContact C-N 3.28Å; T162-R164 PolarHBondContact O-N 3.5Å; T162-A165 PolarHBondContact O-N 2.94Å; T162-Q166 WeakPolarHBondContact O-CG 3.32Å; T162-Q166 PolarHBondContact O-N 3.38Å
163Y89.8Confident92.6Very high174 Ų17461.9 Ų61.968%0.68232%0.319SS*.Hα-helixtrans-63.4-33.118075-92.7000112.9A161 S167A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 HydrophobicContact CB-CD1 3.62Å; A161-Y163 HydrophobicContact CB-CE1 3.32Å; A161-Y163 PolarHBondContact O-N 2.82Å; Y163-S167 VanDerWaalsContact O-CB 3.3Å; Y163-S167 WeakPolarHBondContact O-CB 3.44Å; Y163-S167 PolarHBondContact O-N 2.77Å
164R89.4Confident92.3Very high86 Ų8663.8 Ų63.833%0.32534%0.341SS..Hα-helixtrans-72.1-44177.9-178.5-175179.2-169.23.1110.3D135 W160 A161 T162 S167 V168D135-R164 IonicContact OD1-CZ 3.44Å; D135-R164 IonicContact OD1-NH2 3.2Å; D135-R164 PolarHBondContact OD1-NH2 3.43Å; D135-R164 IonicContact OD2-CZ 3.89Å; D135-R164 VanDerWaalsContact OD2-CZ 3.27Å; D135-R164 IonicContact OD2-NE 3.14Å; D135-R164 PolarHBondContact OD2-NE 3.2Å; D135-R164 IonicContact OD2-NH2 2.83Å; D135-R164 PolarHBondContact OD2-NH2 2.69Å; W160-R164 HydrophobicContact CD2-CG 4.31Å; W160-R164 VanDerWaalsContact CE2-CZ 3.45Å; W160-R164 HydrophobicContact CE3-CG 3.9Å; W160-R164 HydrophobicContact CZ3-CG 4.43Å; A161-R164 WeakPolarHBondContact O-CB 3.38Å; A161-R164 PolarHBondContact O-N 3.14Å; T162-R164 VanDerWaalsContact C-N 3.28Å; T162-R164 PolarHBondContact O-N 3.5Å; R164-S167 PolarHBondContact O-N 3.44Å; R164-V168 WeakPolarHBondContact O-CG2 3.44Å; R164-V168 PolarHBondContact O-N 2.92Å; R164-V168 VanDerWaalsContact O-N 3.15Å
165A93.6Very high91.8Very high0 Ų067.3 Ų67.30%036%0.357CS..Hα-helixtrans-59.5-47.8175.100000111.3V151 V154 V155 A161 T162 V168 L169V151-A165 HydrophobicContact CG1-CB 4.08Å; V154-A165 HydrophobicContact CB-CB 3.86Å; V154-A165 HydrophobicContact CG1-CB 3.56Å; V155-A165 HydrophobicContact CG2-CB 4.03Å; A161-A165 PolarHBondContact O-N 3.2Å; A161-A165 VanDerWaalsContact O-N 3.16Å; T162-A165 PolarHBondContact O-N 2.94Å; A165-V168 PolarHBondContact O-N 3.22Å; A165-L169 WeakPolarHBondContact O-CG 3.27Å; A165-L169 PolarHBondContact O-N 2.97Å
166Q92.6Very high91.4Very high78 Ų7866.8 Ų66.836%0.36436%0.361SS..Hα-helixtrans-58.4-50.9175.3-75.6174.1-23.400111.9V151 T162 V168 L169 E170V151-Q166 HydrophobicContact CB-CG 4.5Å; V151-Q166 HydrophobicContact CG1-CG 3.84Å; V151-Q166 HydrophobicContact CG2-CG 3.76Å; T162-Q166 WeakPolarHBondContact O-CG 3.32Å; T162-Q166 PolarHBondContact O-N 3.38Å; Q166-V168 PolarHBondContact O-N 2.91Å; Q166-L169 PolarHBondContact O-N 3.5Å; Q166-L169 VanDerWaalsContact O-N 3.12Å; Q166-E170 WeakPolarHBondContact O-CB 3.41Å; Q166-E170 WeakPolarHBondContact O-CG 3.44Å; Q166-E170 PolarHBondContact O-N 3.06Å
167S90.4Very high91.1Very high71 Ų7160.2 Ų60.250%0.49733%0.33SS..Hα-helixtrans-56.9-37.5-179177.20000113Y163 R164 H171Y163-S167 VanDerWaalsContact O-CB 3.3Å; Y163-S167 WeakPolarHBondContact O-CB 3.44Å; Y163-S167 PolarHBondContact O-N 2.77Å; R164-S167 PolarHBondContact O-N 3.44Å; S167-H171 WeakPolarHBondContact O-CB 3.3Å; S167-H171 PolarHBondContact O-N 3.1Å; S167-H171 VanDerWaalsContact O-N 3.08Å
168V92.3Very high91Very high9 Ų955.2 Ų55.26%0.05531%0.307CS..Hα-helixtrans-72.4-43.5177.4168.80000111.6D135 V139 W160 R164 A165 Q166 H171 F172D135-V168 HydrophobicContact CB-CG2 4.23Å; V139-V168 HydrophobicContact CB-CG1 4.04Å; V139-V168 HydrophobicContact CG1-CG1 4.34Å; V139-V168 HydrophobicContact CG2-CB 4.46Å; V139-V168 HydrophobicContact CG2-CG1 3.62Å; W160-V168 HydrophobicContact CZ3-CG2 4.08Å; R164-V168 WeakPolarHBondContact O-CG2 3.44Å; R164-V168 PolarHBondContact O-N 2.92Å; R164-V168 VanDerWaalsContact O-N 3.15Å; A165-V168 PolarHBondContact O-N 3.22Å; Q166-V168 PolarHBondContact O-N 2.91Å; V168-H171 WeakPolarHBondContact O-CB 3.42Å; V168-H171 PolarHBondContact O-N 3.4Å; V168-F172 HydrophobicContact CG1-CD2 3.92Å; V168-F172 HydrophobicContact CG1-CE2 3.49Å; V168-F172 VanDerWaalsContact CG1-CE2 3.49Å; V168-F172 HydrophobicContact CG1-CZ 4.48Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 2.89Å
169L94.1Very high91Very high0 Ų059.5 Ų59.50%032%0.32CS..Hα-helixtrans-66.8-39.4178.7-69.9170.4000112.2V139 V151 V154 A165 Q166 H171 F172 L173 Y191 F193V139-L169 HydrophobicContact CG1-CD2 3.81Å; V151-L169 HydrophobicContact CG2-CD1 3.89Å; V154-L169 HydrophobicContact CG2-CD1 4.16Å; A165-L169 WeakPolarHBondContact O-CG 3.27Å; A165-L169 PolarHBondContact O-N 2.97Å; Q166-L169 PolarHBondContact O-N 3.5Å; Q166-L169 VanDerWaalsContact O-N 3.12Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 3.37Å; L169-L173 PolarHBondContact O-N 3.38Å; L169-Y191 HydrophobicContact CB-CD1 3.76Å; L169-Y191 HydrophobicContact CB-CD2 4.13Å; L169-Y191 HydrophobicContact CB-CE1 3.68Å; L169-Y191 HydrophobicContact CB-CE2 4.08Å; L169-Y191 HydrophobicContact CB-CG 3.97Å; L169-Y191 HydrophobicContact CD1-CD2 3.73Å; L169-Y191 HydrophobicContact CD1-CE2 3.86Å; L169-Y191 HydrophobicContact CD1-CG 4.23Å; L169-Y191 HydrophobicContact CD2-CD1 4.4Å; L169-Y191 HydrophobicContact CD2-CD2 4.26Å; L169-Y191 HydrophobicContact CD2-CG 3.94Å; L169-Y191 HydrophobicContact CG-CD2 4.26Å; L169-Y191 HydrophobicContact CG-CG 4.26Å; L169-F193 HydrophobicContact CD2-CE2 4.26Å; L169-F193 HydrophobicContact CD2-CZ 4.02Å
170E91.8Very high91Very high107 Ų10757.2 Ų57.250%0.530%0.299SS..Hα-helixtrans-64.5-37.3172.7-73174.5-179.500111.9Q166 F172 L173 A174Q166-E170 WeakPolarHBondContact O-CB 3.41Å; Q166-E170 WeakPolarHBondContact O-CG 3.44Å; Q166-E170 PolarHBondContact O-N 3.06Å; E170-F172 VanDerWaalsContact C-N 3.33Å; E170-L173 PolarHBondContact O-N 3.16Å; E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.39Å
171H90.7Very high90.9Very high60 Ų6058 Ų5828%0.27831%0.305SS..Hα-helixtrans-61.2-43171.9179.668.8000111.2H136 S167 V168 L169 L173 A174 E175H136-H171 AromaticContact CD2-CD2 3.96Å; H136-H171 AromaticContact CE1-CD2 3.37Å; H136-H171 PolarHBondContact CE1-CD2 2.93Å; H136-H171 AromaticContact CE1-NE2 3.5Å; H136-H171 AromaticContact NE2-CD2 3.26Å; H136-H171 PolarHBondContact NE2-CD2 3.32Å; H136-H171 VanDerWaalsContact NE2-CD2 3.26Å; H136-H171 AromaticContact NE2-CG 3.96Å; H136-H171 AromaticContact NE2-NE2 3.89Å; S167-H171 WeakPolarHBondContact O-CB 3.3Å; S167-H171 PolarHBondContact O-N 3.1Å; S167-H171 VanDerWaalsContact O-N 3.08Å; V168-H171 WeakPolarHBondContact O-CB 3.42Å; V168-H171 PolarHBondContact O-N 3.4Å; L169-H171 VanDerWaalsContact C-N 3.34Å; H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 PolarHBondContact O-N 3.03Å; H171-A174 PolarHBondContact O-N 3.42Å; H171-E175 WeakPolarHBondContact O-CB 3.22Å; H171-E175 WeakPolarHBondContact O-CG 3.46Å; H171-E175 PolarHBondContact O-N 3.08Å
172F91.7Very high90.9Very high0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-61.8-38.7174.3-73.3-61.7000113.1H136 V139 L140 V168 L169 E170 G176 M177 A178 F193H136-F172 HydrophobicContact CB-CE1 4.25Å; H136-F172 HydrophobicContact CB-CE2 4.48Å; H136-F172 HydrophobicContact CB-CZ 3.65Å; H136-F172 WeakPolarHBondContact O-CZ 3.43Å; V139-F172 HydrophobicContact CB-CE2 3.97Å; V139-F172 HydrophobicContact CG1-CD2 4.26Å; V139-F172 HydrophobicContact CG1-CE2 3.77Å; L140-F172 HydrophobicContact CD1-CE1 3.84Å; L140-F172 HydrophobicContact CD1-CZ 3.81Å; L140-F172 HydrophobicContact CD2-CE1 4.03Å; L140-F172 HydrophobicContact CD2-CZ 4.09Å; L140-F172 HydrophobicContact CG-CE1 3.94Å; L140-F172 HydrophobicContact CG-CE2 4.46Å; L140-F172 HydrophobicContact CG-CZ 3.62Å; V168-F172 HydrophobicContact CG1-CD2 3.92Å; V168-F172 HydrophobicContact CG1-CE2 3.49Å; V168-F172 VanDerWaalsContact CG1-CE2 3.49Å; V168-F172 HydrophobicContact CG1-CZ 4.48Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 2.89Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 3.37Å; E170-F172 VanDerWaalsContact C-N 3.33Å; F172-G176 PolarHBondContact O-N 2.87Å; F172-M177 HydrophobicContact CB-CB 4.27Å; F172-M177 HydrophobicContact CD1-CB 3.79Å; F172-M177 HydrophobicContact CD1-CE 3.32Å; F172-M177 HydrophobicContact CD1-CG 4.41Å; F172-M177 HydrophobicContact CD1-SD 3.92Å; F172-M177 HydrophobicContact CE1-CE 3.73Å; F172-M177 HydrophobicContact CE1-SD 4.19Å; F172-M177 HydrophobicContact CG-CE 4.34Å; F172-M177 WeakPolarHBondContact O-CA 3.34Å; F172-M177 WeakPolarHBondContact O-CB 3.48Å; F172-M177 PolarHBondContact O-N 3.08Å; F172-A178 HydrophobicContact CB-CB 3.76Å; F172-A178 PolarHBondContact O-N 3.23Å; F172-A178 VanDerWaalsContact O-N 3.08Å; F172-F193 HydrophobicContact CB-CE1 3.97Å; F172-F193 HydrophobicContact CB-CZ 4.34Å; F172-F193 AromaticContact CD1-CE1 3.93Å; F172-F193 HydrophobicContact CD1-CE1 3.93Å; F172-F193 AromaticContact CD2-CE1 3.73Å; F172-F193 HydrophobicContact CD2-CE1 3.73Å; F172-F193 AromaticContact CD2-CZ 3.8Å; F172-F193 HydrophobicContact CD2-CZ 3.8Å; F172-F193 HydrophobicContact CE1-CE1 4.36Å; F172-F193 HydrophobicContact CE2-CE1 4.14Å; F172-F193 HydrophobicContact CE2-CZ 4.28Å; F172-F193 AromaticContact CG-CE1 3.62Å; F172-F193 HydrophobicContact CG-CE1 3.62Å; F172-F193 HydrophobicContact CG-CZ 4.09Å; F172-F193 HydrophobicContact CZ-CE1 4.44Å
173L91.2Very high90.5Very high67 Ų6767.9 Ų67.935%0.35134%0.339SS..Hα-helixtrans-65.5-47.3175.6-174.465.2000111.7L169 E170 H171 E175 G176 A178 L180L169-L173 PolarHBondContact O-N 3.38Å; E170-L173 PolarHBondContact O-N 3.16Å; H171-L173 VanDerWaalsContact C-N 3.32Å; H171-L173 PolarHBondContact O-N 3.03Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.42Å; L173-G176 PolarHBondContact O-N 3.09Å; L173-A178 WeakPolarHBondContact CD1-O 3.28Å; L173-L180 HydrophobicContact CD1-CB 4Å; L173-L180 HydrophobicContact CD2-CB 4.2Å; L173-L180 HydrophobicContact CD2-CD2 4.37Å
174A88Confident89.8Confident84 Ų8461.1 Ų61.169%0.69431%0.314SS*.Hα-helixtrans-61.7-35.7-179.900000112.7E170 H171 G176E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.39Å; H171-A174 PolarHBondContact O-N 3.42Å; A174-G176 VanDerWaalsContact C-N 3.26Å; A174-G176 PolarHBondContact O-N 2.98Å
175E85.7Confident88.9Confident74 Ų7460.5 Ų60.535%0.34633%0.334SS..THydrogen-bonded Turntrans-83.21.4177.4-69.7-64.6146.100113.7K130 H171 L173 M177K130-E175 PolarHBondContact NZ-O 3.22Å; H171-E175 WeakPolarHBondContact O-CB 3.22Å; H171-E175 WeakPolarHBondContact O-CG 3.46Å; H171-E175 PolarHBondContact O-N 3.08Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 3.42Å; E175-M177 HydrophobicContact CB-CE 3.36Å; E175-M177 HydrophobicContact CB-CG 3.9Å; E175-M177 HydrophobicContact CB-SD 4.18Å; E175-M177 HydrophobicContact CG-CE 3.77Å; E175-M177 PolarHBondContact O-N 3.48Å
176G86.3Confident87.6Confident34 Ų3470.4 Ų70.435%0.35138%0.381SS..THydrogen-bonded Turntrans69.218.1-178.600000114.3G77 F172 L173 A174G77-G176 WeakPolarHBondContact CA-O 3.28Å; F172-G176 PolarHBondContact O-N 2.87Å; L173-G176 PolarHBondContact O-N 3.09Å; A174-G176 VanDerWaalsContact C-N 3.26Å; A174-G176 PolarHBondContact O-N 2.98Å
177M87.8Confident86.7Confident5 Ų575.1 Ų75.13%0.02540%0.395CS..SBendtrans-87.6-23.4-178.7-60-171.6-7800112.9I79 K130 F172 E175I79-M177 HydrophobicContact CD1-CB 4.49Å; I79-M177 HydrophobicContact CD1-CG 4.1Å; I79-M177 HydrophobicContact CD1-SD 3.17Å; I79-M177 WeakPolarHBondContact CD1-SD 3.47Å; I79-M177 HydrophobicContact CG1-CG 4.38Å; I79-M177 HydrophobicContact CG1-SD 3.77Å; K130-M177 HydrophobicContact CD-SD 4.29Å; F172-M177 HydrophobicContact CB-CB 4.27Å; F172-M177 HydrophobicContact CD1-CB 3.79Å; F172-M177 HydrophobicContact CD1-CE 3.32Å; F172-M177 HydrophobicContact CD1-CG 4.41Å; F172-M177 HydrophobicContact CD1-SD 3.92Å; F172-M177 HydrophobicContact CE1-CE 3.73Å; F172-M177 HydrophobicContact CE1-SD 4.19Å; F172-M177 HydrophobicContact CG-CE 4.34Å; F172-M177 WeakPolarHBondContact O-CA 3.34Å; F172-M177 WeakPolarHBondContact O-CB 3.48Å; F172-M177 PolarHBondContact O-N 3.08Å; E175-M177 HydrophobicContact CB-CE 3.36Å; E175-M177 HydrophobicContact CB-CG 3.9Å; E175-M177 HydrophobicContact CB-SD 4.18Å; E175-M177 HydrophobicContact CG-CE 3.77Å; E175-M177 PolarHBondContact O-N 3.48Å
178A92.2Very high86.5Confident1 Ų173.9 Ų73.91%0.00839%0.386CS..SBendtrans-125.6154.317300000111.1F172 L173 W192 F193F172-A178 HydrophobicContact CB-CB 3.76Å; F172-A178 PolarHBondContact O-N 3.23Å; F172-A178 VanDerWaalsContact O-N 3.08Å; L173-A178 WeakPolarHBondContact CD1-O 3.28Å; A178-W192 CarbonylContact C-O 3.43Å; A178-W192 WeakPolarHBondContact CA-O 3.4Å; A178-W192 WeakPolarHBondContact CB-O 3.49Å; A178-F193 HydrophobicContact CB-CD1 4.23Å; A178-F193 HydrophobicContact CB-CE1 4.02Å; A178-F193 HydrophobicContact CB-CZ 4.18Å
179W92.7Very high86.5Confident136 Ų13676.2 Ų76.252%0.51540%0.402SS..EExtended strand (participates in β ladder)trans-111.4138.7169.7-59.3-17.5000109.1Y191 W192 P194W179-Y191 CarbonylContact O-C 3.59Å; W179-Y191 WeakPolarHBondContact O-CA 3.47Å; W179-W192 HydrophobicContact CB-CB 4.31Å; W179-W192 PolarHBondContact N-O 3.35Å; W179-W192 PolarHBondContact O-N 3.4Å; W179-P194 HydrophobicContact CD2-CG 3.71Å; W179-P194 HydrophobicContact CE3-CG 4.04Å; W179-P194 HydrophobicContact CG-CG 4.27Å; W179-P194 HydrophobicContact CH2-CB 4.48Å; W179-P194 HydrophobicContact CH2-CG 4.01Å; W179-P194 HydrophobicContact CZ2-CB 4.35Å; W179-P194 HydrophobicContact CZ2-CG 3.67Å; W179-P194 HydrophobicContact CZ3-CG 4.18Å
180L94.1Very high86.5Confident62 Ų6276.2 Ų76.233%0.32540%0.402SS..EExtended strand (participates in β ladder)trans-91.5126.4177.3-175.965.1000109.9L173 E182 P189 Y191L173-L180 HydrophobicContact CD1-CB 4Å; L173-L180 HydrophobicContact CD2-CB 4.2Å; L173-L180 HydrophobicContact CD2-CD2 4.37Å; L180-E182 HydrophobicContact CD2-CG 3.84Å; L180-E182 HydrophobicContact CG-CG 3.96Å; L180-P189 HydrophobicContact CD1-CB 3.72Å; L180-Y191 HydrophobicContact CD1-CD1 4.17Å; L180-Y191 HydrophobicContact CD1-CD2 4.36Å; L180-Y191 HydrophobicContact CD1-CE1 3.84Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 HydrophobicContact CD1-CG 4.43Å
181D93.3Very high86.7Confident48 Ų4872 Ų7226%0.25738%0.381SS..EExtended strand (participates in β ladder)trans-111.898.5169.1-1787.7000109.4Q183 P189 A190 W192D181-Q183 WeakPolarHBondContact OD1-CA 3.46Å; D181-Q183 PolarHBondContact OD1-N 3.42Å; D181-P189 WeakPolarHBondContact O-CA 3.03Å; D181-A190 HydrophobicContact CB-CB 4.43Å; D181-A190 PolarHBondContact N-O 2.98Å; D181-A190 PolarHBondContact O-N 2.97Å; D181-W192 VanDerWaalsContact CB-CD1 3.44Å; D181-W192 VanDerWaalsContact CB-NE1 3.27Å; D181-W192 PolarHBondContact OD2-NE1 3.08Å
182E89.9Confident86.9Confident153 Ų15372.7 Ų72.772%0.71538%0.382SS*.THydrogen-bonded Turntrans-76.4-11174.2-60.2-17614400112.3L180L180-E182 HydrophobicContact CD2-CG 3.84Å; L180-E182 HydrophobicContact CG-CG 3.96Å
183Q83.1Confident86.9Confident177 Ų17772.8 Ų72.883%0.82738%0.382SS*.THydrogen-bonded Turntrans-99.933.1-176.4-60.4-177.126.300112.2D181 G185D181-Q183 WeakPolarHBondContact OD1-CA 3.46Å; D181-Q183 PolarHBondContact OD1-N 3.42Å; Q183-G185 PolarHBondContact O-N 2.81Å
184N74.8Confident86.8Confident32 Ų3270 Ų7017%0.17137%0.368CS..  trans-74.541.8177.4-165.719.1000113.2E186 R187 S188 A190N184-E186 PolarHBondContact O-N 3.46Å; N184-R187 HydrophobicContact CB-CB 4.49Å; N184-R187 WeakPolarHBondContact O-CB 3.48Å; N184-R187 PolarHBondContact O-N 3.25Å; N184-S188 PolarHBondContact ND2-O 3.48Å; N184-S188 VanDerWaalsContact ND2-O 3.13Å; N184-A190 HydrophobicContact CB-CB 4.38Å
185G71.5Confident86.7Confident72 Ų7266.2 Ų66.274%0.74234%0.337SS*.THydrogen-bonded Turntrans57.9-125.9-177.800000113.1Q183 R187Q183-G185 PolarHBondContact O-N 2.81Å; G185-R187 VanDerWaalsContact C-N 3.29Å
186E64.7Low86.8Confident209 Ų20964 Ų6498%0.97733%0.326SS*.THydrogen-bonded Turntrans-85.95.3177.3-65.6-177.8170.800113.6N184N184-E186 PolarHBondContact O-N 3.46Å
187R75Confident86.7Confident177 Ų17766.3 Ų66.367%0.66833%0.326SS*.SBendtrans-97.9162.6-177.5-62.4-178.5176.4-168.6-2111.6N184 G185N184-R187 HydrophobicContact CB-CB 4.49Å; N184-R187 WeakPolarHBondContact O-CB 3.48Å; N184-R187 PolarHBondContact O-N 3.25Å; G185-R187 VanDerWaalsContact C-N 3.29Å
188S85.9Confident85.7Confident44 Ų4470 Ų7031%0.30836%0.358SS..PPolyproline II helixtrans-56.3152.8170.3-62.50000111.9E152 N184 A190E152-S188 VanDerWaalsContact CD-CB 3.43Å; E152-S188 WeakPolarHBondContact OE1-CB 3.39Å; E152-S188 PolarHBondContact OE1-OG 2.73Å; E152-S188 WeakPolarHBondContact OE2-CB 3.44Å; E152-S188 PolarHBondContact OE2-OG 2.75Å; N184-S188 PolarHBondContact ND2-O 3.48Å; N184-S188 VanDerWaalsContact ND2-O 3.13Å; S188-A190 PolarHBondContact O-N 2.84Å
189P92.1Very high83.7Confident58 Ų5873.8 Ų73.838%0.37739%0.389SS..PPolyproline II helixtrans-52.9134.4179.7-25.933.8000112.1L180 D181L180-P189 HydrophobicContact CD1-CB 3.72Å; D181-P189 WeakPolarHBondContact O-CA 3.03Å
190A94.6Very high81.1Confident0 Ų070.8 Ų70.80%039%0.393CS..EExtended strand (participates in β ladder)trans-97.2135.8179.700000111Y148 T150 D181 N184 S188Y148-A190 HydrophobicContact CD2-CB 3.88Å; T150-A190 HydrophobicContact CG2-CB 4.49Å; D181-A190 HydrophobicContact CB-CB 4.43Å; D181-A190 PolarHBondContact N-O 2.98Å; D181-A190 PolarHBondContact O-N 2.97Å; N184-A190 HydrophobicContact CB-CB 4.38Å; S188-A190 PolarHBondContact O-N 2.84Å
191Y95.4Very high78.7Confident20 Ų2073.5 Ų73.58%0.07841%0.414CS..EExtended strand (participates in β ladder)trans-101105.2173-65.2-99.1000108.4Y148 L149 V151 L169 W179 L180 F193Y148-Y191 CarbonylContact C-O 3.55Å; Y148-Y191 WeakPolarHBondContact CA-O 3.15Å; Y148-Y191 WeakPolarHBondContact CB-O 3.38Å; L149-Y191 PolarHBondContact N-O 3.09Å; L149-Y191 WeakPolarHBondContact O-CB 3.3Å; L149-Y191 PolarHBondContact O-N 3Å; V151-Y191 HydrophobicContact CG2-CE2 4.07Å; L169-Y191 HydrophobicContact CB-CD1 3.76Å; L169-Y191 HydrophobicContact CB-CD2 4.13Å; L169-Y191 HydrophobicContact CB-CE1 3.68Å; L169-Y191 HydrophobicContact CB-CE2 4.08Å; L169-Y191 HydrophobicContact CB-CG 3.97Å; L169-Y191 HydrophobicContact CD1-CD2 3.73Å; L169-Y191 HydrophobicContact CD1-CE2 3.86Å; L169-Y191 HydrophobicContact CD1-CG 4.23Å; L169-Y191 HydrophobicContact CD2-CD1 4.4Å; L169-Y191 HydrophobicContact CD2-CD2 4.26Å; L169-Y191 HydrophobicContact CD2-CG 3.94Å; L169-Y191 HydrophobicContact CG-CD2 4.26Å; L169-Y191 HydrophobicContact CG-CG 4.26Å; W179-Y191 CarbonylContact O-C 3.59Å; W179-Y191 WeakPolarHBondContact O-CA 3.47Å; L180-Y191 HydrophobicContact CD1-CD1 4.17Å; L180-Y191 HydrophobicContact CD1-CD2 4.36Å; L180-Y191 HydrophobicContact CD1-CE1 3.84Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 HydrophobicContact CD1-CG 4.43Å; Y191-F193 WeakPolarHBondContact O-CD2 3.26Å; Y191-F193 WeakPolarHBondContact O-CE2 3.05Å
192W94Very high76.4Confident74 Ų7477.3 Ų77.328%0.2844%0.435SS..EExtended strand (participates in β ladder)trans-87.5133.7-178.1-7596.1000110.3Y148 A178 W179 D181 P194 F197Y148-W192 HydrophobicContact CD1-CD2 4.4Å; Y148-W192 AromaticContact CD1-CE3 3.85Å; Y148-W192 HydrophobicContact CD1-CE3 3.85Å; Y148-W192 AromaticContact CD1-CH2 3.63Å; Y148-W192 HydrophobicContact CD1-CH2 3.63Å; Y148-W192 HydrophobicContact CD1-CZ2 4.14Å; Y148-W192 AromaticContact CD1-CZ3 3.46Å; Y148-W192 HydrophobicContact CD1-CZ3 3.46Å; Y148-W192 VanDerWaalsContact CD1-CZ3 3.46Å; Y148-W192 HydrophobicContact CE1-CH2 4.06Å; Y148-W192 HydrophobicContact CE1-CZ3 4.26Å; Y148-W192 HydrophobicContact CG-CD2 4.15Å; Y148-W192 AromaticContact CG-CE3 3.99Å; Y148-W192 HydrophobicContact CG-CE3 3.99Å; Y148-W192 HydrophobicContact CG-CH2 4.23Å; Y148-W192 HydrophobicContact CG-CZ2 4.32Å; Y148-W192 HydrophobicContact CG-CZ3 4.06Å; A178-W192 CarbonylContact C-O 3.43Å; A178-W192 WeakPolarHBondContact CA-O 3.4Å; A178-W192 WeakPolarHBondContact CB-O 3.49Å; W179-W192 HydrophobicContact CB-CB 4.31Å; W179-W192 PolarHBondContact N-O 3.35Å; W179-W192 PolarHBondContact O-N 3.4Å; D181-W192 VanDerWaalsContact CB-CD1 3.44Å; D181-W192 VanDerWaalsContact CB-NE1 3.27Å; D181-W192 PolarHBondContact OD2-NE1 3.08Å; W192-P194 WeakPolarHBondContact O-CD 3.43Å; W192-F197 HydrophobicContact CB-CZ 3.91Å; W192-F197 HydrophobicContact CD2-CZ 4.08Å; W192-F197 AromaticContact CE3-CE1 3.53Å; W192-F197 HydrophobicContact CE3-CE1 3.53Å; W192-F197 AromaticContact CE3-CZ 3.36Å; W192-F197 HydrophobicContact CE3-CZ 3.36Å; W192-F197 HydrophobicContact CG-CZ 4.35Å; W192-F197 HydrophobicContact CZ3-CE1 4.07Å; W192-F197 HydrophobicContact CZ3-CZ 4.19Å
193F92.6Very high73.6Confident2 Ų275.4 Ų75.41%0.00944%0.438CS..  trans-113.296-178.2-71.7-92.7000110V139 L140 A143 G147 L169 F172 A178 Y191 A195 F196V139-F193 HydrophobicContact CG1-CZ 4.09Å; L140-F193 HydrophobicContact CD2-CD1 3.65Å; L140-F193 HydrophobicContact CD2-CE1 3.73Å; A143-F193 HydrophobicContact CB-CD2 3.46Å; A143-F193 VanDerWaalsContact CB-CD2 3.46Å; A143-F193 HydrophobicContact CB-CE2 3.73Å; A143-F193 HydrophobicContact CB-CG 4.02Å; A143-F193 HydrophobicContact CB-CZ 4.47Å; G147-F193 PolarHBondContact O-N 3.23Å; L169-F193 HydrophobicContact CD2-CE2 4.26Å; L169-F193 HydrophobicContact CD2-CZ 4.02Å; F172-F193 HydrophobicContact CB-CE1 3.97Å; F172-F193 HydrophobicContact CB-CZ 4.34Å; F172-F193 AromaticContact CD1-CE1 3.93Å; F172-F193 HydrophobicContact CD1-CE1 3.93Å; F172-F193 AromaticContact CD2-CE1 3.73Å; F172-F193 HydrophobicContact CD2-CE1 3.73Å; F172-F193 AromaticContact CD2-CZ 3.8Å; F172-F193 HydrophobicContact CD2-CZ 3.8Å; F172-F193 HydrophobicContact CE1-CE1 4.36Å; F172-F193 HydrophobicContact CE2-CE1 4.14Å; F172-F193 HydrophobicContact CE2-CZ 4.28Å; F172-F193 AromaticContact CG-CE1 3.62Å; F172-F193 HydrophobicContact CG-CE1 3.62Å; F172-F193 HydrophobicContact CG-CZ 4.09Å; F172-F193 HydrophobicContact CZ-CE1 4.44Å; A178-F193 HydrophobicContact CB-CD1 4.23Å; A178-F193 HydrophobicContact CB-CE1 4.02Å; A178-F193 HydrophobicContact CB-CZ 4.18Å; Y191-F193 WeakPolarHBondContact O-CD2 3.26Å; Y191-F193 WeakPolarHBondContact O-CE2 3.05Å; F193-A195 PolarHBondContact O-N 3.17Å; F193-F196 HydrophobicContact CB-CD2 3.5Å; F193-F196 VanDerWaalsContact CB-CD2 3.5Å; F193-F196 HydrophobicContact CB-CE2 3.83Å; F193-F196 HydrophobicContact CB-CG 4.45Å; F193-F196 HydrophobicContact CD1-CE2 4.44Å; F193-F196 HydrophobicContact CG-CD2 4.23Å; F193-F196 HydrophobicContact CG-CE2 4.15Å; F193-F196 PolarHBondContact O-N 3.41Å
194P89.1Confident71.3Confident9 Ų976.2 Ų76.26%0.05846%0.463CS..G310 helixtrans-57.6-25.5-176.5-26.635.1000114.6T75 W179 W192 F196 F197T75-P194 WeakPolarHBondContact O-CB 3.46Å; W179-P194 HydrophobicContact CD2-CG 3.71Å; W179-P194 HydrophobicContact CE3-CG 4.04Å; W179-P194 HydrophobicContact CG-CG 4.27Å; W179-P194 HydrophobicContact CH2-CB 4.48Å; W179-P194 HydrophobicContact CH2-CG 4.01Å; W179-P194 HydrophobicContact CZ2-CB 4.35Å; W179-P194 HydrophobicContact CZ2-CG 3.67Å; W179-P194 HydrophobicContact CZ3-CG 4.18Å; W192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-F196 PolarHBondContact O-N 3.14Å; P194-F196 VanDerWaalsContact O-N 3.12Å; P194-F197 HydrophobicContact CB-CD2 4.12Å; P194-F197 HydrophobicContact CB-CE2 4.22Å; P194-F197 HydrophobicContact CG-CE2 4.24Å; P194-F197 PolarHBondContact O-N 2.82Å; P194-F197 VanDerWaalsContact O-N 3.1Å
195A85.9Confident71.1Confident4 Ų478.4 Ų78.43%0.03348%0.478CS..G310 helixtrans-61.2-14.6174.100000114.2I79 F193I79-A195 HydrophobicContact CB-CB 4.27Å; I79-A195 HydrophobicContact CG2-CB 4.08Å; F193-A195 PolarHBondContact O-N 3.17Å
196F87.3Confident71.1Confident28 Ų2878.7 Ų78.712%0.12346%0.464CS..G310 helixtrans-109.1-2.8176.5-55.5-44.1000113.5T81 F119 L124 L140 A143 K144 F193 P194 A198T81-F196 HydrophobicContact CG2-CD1 4.39Å; T81-F196 HydrophobicContact CG2-CE1 4.35Å; F119-F196 AromaticContact CE2-CE1 3.79Å; F119-F196 HydrophobicContact CE2-CE1 3.79Å; F119-F196 HydrophobicContact CE2-CZ 4.17Å; F119-F196 HydrophobicContact CZ-CE1 4.25Å; L124-F196 HydrophobicContact CD2-CE1 4.33Å; L140-F196 HydrophobicContact CB-CE2 4.42Å; L140-F196 HydrophobicContact CB-CZ 3.99Å; L140-F196 HydrophobicContact CD2-CE2 3.81Å; L140-F196 HydrophobicContact CD2-CZ 3.75Å; L140-F196 HydrophobicContact CG-CZ 4.47Å; L140-F196 WeakPolarHBondContact O-CE2 3.38Å; L140-F196 VanDerWaalsContact O-CZ 3.27Å; L140-F196 WeakPolarHBondContact O-CZ 3.49Å; A143-F196 HydrophobicContact CB-CD2 3.91Å; A143-F196 HydrophobicContact CB-CE2 3.67Å; K144-F196 HydrophobicContact CB-CD1 4.36Å; K144-F196 HydrophobicContact CB-CE1 4.33Å; K144-F196 HydrophobicContact CB-CZ 4.47Å; K144-F196 HydrophobicContact CG-CD1 4.39Å; F193-F196 HydrophobicContact CB-CD2 3.5Å; F193-F196 VanDerWaalsContact CB-CD2 3.5Å; F193-F196 HydrophobicContact CB-CE2 3.83Å; F193-F196 HydrophobicContact CB-CG 4.45Å; F193-F196 HydrophobicContact CD1-CE2 4.44Å; F193-F196 HydrophobicContact CG-CD2 4.23Å; F193-F196 HydrophobicContact CG-CE2 4.15Å; F193-F196 PolarHBondContact O-N 3.41Å; P194-F196 PolarHBondContact O-N 3.14Å; P194-F196 VanDerWaalsContact O-N 3.12Å; F196-A198 PolarHBondContact O-N 3.43Å
197F84.7Confident71.4Confident82 Ų8271.5 Ų71.536%0.3644%0.436SS..SBendtrans-73.986.2167.9-55.9-17.9000106.7G147 W192 P194 A199G147-F197 WeakPolarHBondContact O-CE1 3.47Å; W192-F197 HydrophobicContact CB-CZ 3.91Å; W192-F197 HydrophobicContact CD2-CZ 4.08Å; W192-F197 AromaticContact CE3-CE1 3.53Å; W192-F197 HydrophobicContact CE3-CE1 3.53Å; W192-F197 AromaticContact CE3-CZ 3.36Å; W192-F197 HydrophobicContact CE3-CZ 3.36Å; W192-F197 HydrophobicContact CG-CZ 4.35Å; W192-F197 HydrophobicContact CZ3-CE1 4.07Å; W192-F197 HydrophobicContact CZ3-CZ 4.19Å; P194-F197 HydrophobicContact CB-CD2 4.12Å; P194-F197 HydrophobicContact CB-CE2 4.22Å; P194-F197 HydrophobicContact CG-CE2 4.24Å; P194-F197 PolarHBondContact O-N 2.82Å; P194-F197 VanDerWaalsContact O-N 3.1Å; F197-A199 PolarHBondContact O-N 2.9Å
198A67Low71.2Confident82 Ų8265.3 Ų65.368%0.67842%0.422SS*.  trans-47136.2170.400000108.1F196 A200F196-A198 PolarHBondContact O-N 3.43Å; A198-A200 VanDerWaalsContact C-N 3.33Å; A198-A200 PolarHBondContact O-N 3.32Å
199A49.9Very low70.3Confident81 Ų8166.6 Ų66.667%0.66943%0.429SS*.  trans-40.6102.516700000107.8F197 P201F197-A199 PolarHBondContact O-N 2.9Å; A199-P201 VanDerWaalsContact O-N 3.09Å
200A39.4Very low68.8Low72 Ų7267.2 Ų67.260%0.59543%0.433SS*.  trans-47.3126.717000000104.5A198 D202A198-A200 VanDerWaalsContact C-N 3.33Å; A198-A200 PolarHBondContact O-N 3.32Å; A200-D202 PolarHBondContact O-N 3.27Å
201P42.4Very low67Low119 Ų11972 Ų7277%0.77346%0.463SS*.  trans-52116.517121.1-28.9000104.5A199 S203A199-P201 VanDerWaalsContact O-N 3.09Å; P201-S203 VanDerWaalsContact C-N 3.34Å; P201-S203 WeakPolarHBondContact O-CA 3.34Å; P201-S203 PolarHBondContact O-N 3.22Å
202D44.4Very low64.8Low128 Ų12876 Ų7668%0.68449%0.493SS*.  trans-41.9107.6-178.8-74.5-39.6000105.5K91 A200 S204K91-D202 IonicContact NZ-OD2 2.76Å; K91-D202 PolarHBondContact NZ-OD2 3.43Å; A200-D202 PolarHBondContact O-N 3.27Å; D202-S204 PolarHBondContact O-N 3.27Å
203S32.3Very low62.4Low114 Ų11476.2 Ų76.280%0.79751%0.511SS*.  trans-76.480.3-17453.10000106.2P201P201-S203 VanDerWaalsContact C-N 3.34Å; P201-S203 WeakPolarHBondContact O-CA 3.34Å; P201-S203 PolarHBondContact O-N 3.22Å
204S33.7Very low59.6Low193 Ų19382.9 Ų82.9100%1.3556%0.556SS**  trans-177.60160.8-74.60000110.3D202D202-S204 PolarHBondContact O-N 3.27Å

Retrieved 204 of 204 residues in 176.7 ms (Link to these results)

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