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phosphatidylserine decarboxylase

Catalyzes the formation of phosphatidylethanolamine (PtdEtn) from phosphatidylserine (PtdSer). Plays a central role in phospholipid metabolism and in the interorganelle trafficking of phosphatidylserine. May be involved in lipid droplet biogenesis at the endoplasmic reticulum membrane.

AlphaFold DB , UniProt , Accession A0A077YVM9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M52.6Low67.7Low199 Ų19957.9 Ų57.998%0.9835%0.35SS*.  0-59.30-67.7-57.5-87.100112.5V3 F4 A5M1-V3 PolarHBondContact O-N 3.05Å; M1-F4 PolarHBondContact O-N 2.96Å; M1-A5 PolarHBondContact O-N 3.36Å; M1-A5 VanDerWaalsContact O-N 3.09Å
2A60.9Low67.8Low30 Ų3058.8 Ų58.825%0.24836%0.355CS..Hα-helixtrans-46-52.9178.700000114.7F4 A5 T6 I54A2-F4 PolarHBondContact O-N 3.44Å; A2-A5 WeakPolarHBondContact O-CB 3.46Å; A2-A5 PolarHBondContact O-N 2.87Å; A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 2.91Å; A2-I54 HydrophobicContact CB-CG2 3.37Å
3V65.5Low67.7Low37 Ų3754.6 Ų54.622%0.22433%0.331CS..Hα-helixtrans-59.2-47.5-178.41700000112.6M1 A5 T6 V7 L60 I64M1-V3 PolarHBondContact O-N 3.05Å; V3-A5 VanDerWaalsContact C-N 3.29Å; V3-A5 PolarHBondContact O-N 2.88Å; V3-T6 PolarHBondContact O-N 2.94Å; V3-V7 HydrophobicContact CG1-CG2 4.43Å; V3-V7 WeakPolarHBondContact O-CG2 3.15Å; V3-V7 PolarHBondContact O-N 2.88Å; V3-L60 HydrophobicContact CB-CD1 4.34Å; V3-L60 HydrophobicContact CG1-CD1 4.21Å; V3-L60 HydrophobicContact CG2-CD1 3.28Å; V3-I64 HydrophobicContact CB-CD1 4.3Å; V3-I64 HydrophobicContact CG1-CD1 3.76Å; V3-I64 HydrophobicContact CG2-CD1 4.23Å
4F69.3Low67.5Low164 Ų16458.8 Ų58.872%0.71934%0.339SS*.Hα-helixtrans-64-37.3178.5-72.9-74.8000111.6M1 A2 G8M1-F4 PolarHBondContact O-N 2.96Å; A2-F4 PolarHBondContact O-N 3.44Å; F4-G8 PolarHBondContact O-N 3.36Å
5A70.3Confident67.4Low36 Ų3658.7 Ų58.730%0.29835%0.348SS..Hα-helixtrans-63.7-46.8175.800000111M1 A2 V3 G8 S9 V51M1-A5 PolarHBondContact O-N 3.36Å; M1-A5 VanDerWaalsContact O-N 3.09Å; A2-A5 WeakPolarHBondContact O-CB 3.46Å; A2-A5 PolarHBondContact O-N 2.87Å; V3-A5 VanDerWaalsContact C-N 3.29Å; V3-A5 PolarHBondContact O-N 2.88Å; A5-G8 PolarHBondContact O-N 3.41Å; A5-S9 WeakPolarHBondContact O-CB 3.18Å; A5-S9 PolarHBondContact O-N 3.4Å; A5-V51 HydrophobicContact CB-CG1 3.7Å; A5-V51 HydrophobicContact CB-CG2 4.22Å; A5-V51 VanDerWaalsContact O-CG1 3.27Å; A5-V51 WeakPolarHBondContact O-CG1 3.4Å
6T71.4Confident67.1Low1 Ų160.3 Ų60.31%0.00635%0.349CS..Hα-helixtrans-66.4-42.8177.5-460000112.3A2 V3 S9 I10 I56 I64 L90A2-T6 PolarHBondContact O-N 2.82Å; A2-T6 PolarHBondContact O-OG1 2.91Å; V3-T6 PolarHBondContact O-N 2.94Å; T6-S9 WeakPolarHBondContact O-CB 3.39Å; T6-S9 PolarHBondContact O-N 2.83Å; T6-S9 PolarHBondContact O-OG 3.2Å; T6-I10 VanDerWaalsContact O-CG1 3.31Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 3.18Å; T6-I56 HydrophobicContact CG2-CD1 4.09Å; T6-I64 HydrophobicContact CG2-CG2 3.71Å; T6-L90 HydrophobicContact CG2-CB 4.12Å; T6-L90 HydrophobicContact CG2-CD2 4.29Å
7V72.1Confident66.6Low76 Ų7659.9 Ų59.946%0.46134%0.341SS..Hα-helixtrans-65.1-43.2177.4172.90000111.2V3 S9 I10 G11 I64V3-V7 HydrophobicContact CG1-CG2 4.43Å; V3-V7 WeakPolarHBondContact O-CG2 3.15Å; V3-V7 PolarHBondContact O-N 2.88Å; V7-S9 PolarHBondContact O-N 3.07Å; V7-I10 PolarHBondContact O-N 3.34Å; V7-G11 PolarHBondContact O-N 3.42Å; V7-I64 HydrophobicContact CG2-CD1 4.31Å; V7-I64 HydrophobicContact CG2-CG1 4.1Å; V7-I64 HydrophobicContact CG2-CG2 4.49Å
8G71.8Confident66.1Low42 Ų4259.6 Ų59.643%0.43334%0.343SS..Hα-helixtrans-62-3417400000112F4 A5 G11 V12F4-G8 PolarHBondContact O-N 3.36Å; A5-G8 PolarHBondContact O-N 3.41Å; G8-G11 PolarHBondContact O-N 3.41Å; G8-V12 PolarHBondContact O-N 2.82Å
9S71Confident65.5Low7 Ų759.3 Ų59.35%0.04934%0.343CS..Hα-helixtrans-59.2-63.3172.891.10000108.4A5 T6 V7 G11 V12 A13 W48 N52A5-S9 WeakPolarHBondContact O-CB 3.18Å; A5-S9 PolarHBondContact O-N 3.4Å; T6-S9 WeakPolarHBondContact O-CB 3.39Å; T6-S9 PolarHBondContact O-N 2.83Å; T6-S9 PolarHBondContact O-OG 3.2Å; V7-S9 PolarHBondContact O-N 3.07Å; S9-G11 CarbonylContact O-C 3.59Å; S9-G11 PolarHBondContact O-N 2.76Å; S9-V12 WeakPolarHBondContact O-CA 3.21Å; S9-V12 WeakPolarHBondContact O-CB 3.49Å; S9-V12 PolarHBondContact O-N 3.49Å; S9-A13 PolarHBondContact O-N 2.85Å; S9-W48 VanDerWaalsContact CA-CH2 3.46Å; S9-W48 WeakPolarHBondContact O-CH2 3.43Å; S9-W48 WeakPolarHBondContact O-CZ3 3.33Å; S9-N52 WeakPolarHBondContact CB-OD1 3.22Å; S9-N52 PolarHBondContact OG-OD1 3.08Å
10I69.6Low64.5Low7 Ų760.3 Ų60.34%0.03634%0.341CS..Hα-helixtrans-42.3-44.6179.2-60.5172.9000113.1T6 V7 V12 A13 Y14 I64 Y68 M71 F72 L90T6-I10 VanDerWaalsContact O-CG1 3.31Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 3.18Å; V7-I10 PolarHBondContact O-N 3.34Å; I10-V12 PolarHBondContact O-N 3Å; I10-A13 PolarHBondContact O-N 3.34Å; I10-Y14 PolarHBondContact O-N 3.49Å; I10-I64 HydrophobicContact CD1-CG2 3.77Å; I10-I64 WeakPolarHBondContact CD1-O 3.28Å; I10-Y68 HydrophobicContact CG1-CD2 4.01Å; I10-Y68 HydrophobicContact CG2-CD2 4.32Å; I10-M71 HydrophobicContact CG2-CE 3.89Å; I10-M71 HydrophobicContact CG2-SD 3.37Å; I10-M71 WeakPolarHBondContact CG2-SD 3.46Å; I10-F72 HydrophobicContact CG2-CE2 4.44Å; I10-L90 HydrophobicContact CG1-CD2 4.08Å
11G70.4Confident63.3Low38 Ų3864.3 Ų64.339%0.39236%0.36SS..Hα-helixtrans-59.9-42176.500000114.9V7 G8 S9 Y14 A15V7-G11 PolarHBondContact O-N 3.42Å; G8-G11 PolarHBondContact O-N 3.41Å; S9-G11 CarbonylContact O-C 3.59Å; S9-G11 PolarHBondContact O-N 2.76Å; G11-Y14 WeakPolarHBondContact O-CB 3.3Å; G11-Y14 PolarHBondContact O-N 3.27Å; G11-A15 PolarHBondContact O-N 3.36Å
12V68.9Low62.9Low68 Ų6857 Ų5741%0.41233%0.329SS..Hα-helixtrans-67-40.6175.2170.60000111.1G8 S9 I10 Y14 A15 F16 W48G8-V12 PolarHBondContact O-N 2.82Å; S9-V12 WeakPolarHBondContact O-CA 3.21Å; S9-V12 WeakPolarHBondContact O-CB 3.49Å; S9-V12 PolarHBondContact O-N 3.49Å; I10-V12 PolarHBondContact O-N 3Å; V12-Y14 VanDerWaalsContact C-N 3.25Å; V12-Y14 PolarHBondContact O-N 2.79Å; V12-A15 PolarHBondContact O-N 2.8Å; V12-F16 HydrophobicContact CG1-CD2 3.91Å; V12-F16 HydrophobicContact CG1-CE2 3.61Å; V12-F16 WeakPolarHBondContact O-CD2 3.2Å; V12-F16 PolarHBondContact O-N 2.77Å; V12-W48 HydrophobicContact CB-CH2 4.42Å; V12-W48 HydrophobicContact CB-CZ3 3.83Å; V12-W48 HydrophobicContact CG1-CZ3 4.13Å
13A66Low62.3Low5 Ų562 Ų624%0.04135%0.352CS..Hα-helixtrans-60.2-38.3174.600000111.6S9 I10 F16 Y17 W48 F72S9-A13 PolarHBondContact O-N 2.85Å; I10-A13 PolarHBondContact O-N 3.34Å; A13-F16 PolarHBondContact O-N 3.07Å; A13-Y17 WeakPolarHBondContact O-CB 3.39Å; A13-Y17 PolarHBondContact O-N 2.9Å; A13-W48 HydrophobicContact CB-CH2 3.59Å; A13-W48 HydrophobicContact CB-CZ2 3.77Å; A13-F72 HydrophobicContact CB-CE1 4.42Å; A13-F72 HydrophobicContact CB-CE2 4.21Å; A13-F72 HydrophobicContact CB-CZ 3.58Å
14Y64.6Low61.8Low113 Ų11366 Ų6644%0.44337%0.371SS..Hα-helixtrans-65.1-42.5175.7-173.8-106.8000113I10 G11 V12 F16 Y17 S18 M71I10-Y14 PolarHBondContact O-N 3.49Å; G11-Y14 WeakPolarHBondContact O-CB 3.3Å; G11-Y14 PolarHBondContact O-N 3.27Å; V12-Y14 VanDerWaalsContact C-N 3.25Å; V12-Y14 PolarHBondContact O-N 2.79Å; Y14-F16 PolarHBondContact O-N 3.01Å; Y14-Y17 PolarHBondContact O-N 3.39Å; Y14-Y17 VanDerWaalsContact O-N 3.07Å; Y14-S18 WeakPolarHBondContact O-CB 3.5Å; Y14-S18 PolarHBondContact O-N 3.23Å; Y14-S18 PolarHBondContact O-OG 3.03Å; Y14-M71 VanDerWaalsContact CB-SD 3.53Å; Y14-M71 HydrophobicContact CD2-CE 4.22Å; Y14-M71 HydrophobicContact CD2-CG 3.41Å; Y14-M71 VanDerWaalsContact CD2-CG 3.41Å; Y14-M71 HydrophobicContact CD2-SD 3.78Å; Y14-M71 HydrophobicContact CE2-CG 4.1Å; Y14-M71 HydrophobicContact CG-CE 4.14Å; Y14-M71 HydrophobicContact CG-CG 4.16Å; Y14-M71 HydrophobicContact CG-SD 3.91Å
15A66Low61.4Low58 Ų5861.7 Ų61.748%0.47936%0.359SS..Hα-helixtrans-57.6-38.6177.100000111.2G11 V12 S18 T19G11-A15 PolarHBondContact O-N 3.36Å; V12-A15 PolarHBondContact O-N 2.8Å; A15-S18 PolarHBondContact O-OG 3.16Å; A15-T19 PolarHBondContact O-OG1 3.04Å; A15-T19 VanDerWaalsContact O-OG1 3.12Å
16F63.3Low61.4Low84 Ų8466.1 Ų66.137%0.36838%0.376SS..Hα-helixtrans-75.3-32.8174.2-72.9-67.9000113.8V12 A13 Y14 T19 T232V12-F16 HydrophobicContact CG1-CD2 3.91Å; V12-F16 HydrophobicContact CG1-CE2 3.61Å; V12-F16 WeakPolarHBondContact O-CD2 3.2Å; V12-F16 PolarHBondContact O-N 2.77Å; A13-F16 PolarHBondContact O-N 3.07Å; Y14-F16 PolarHBondContact O-N 3.01Å; F16-T19 PolarHBondContact O-OG1 3.19Å; F16-T232 HydrophobicContact CZ-CG2 4.46Å
17Y59.2Low61.6Low53 Ų5369.1 Ų69.121%0.20840%0.395CS..Hα-helixtrans-73-45.5178.5178.7-104.3000113A13 Y14 T19 Y20 F72 A167 P168A13-Y17 WeakPolarHBondContact O-CB 3.39Å; A13-Y17 PolarHBondContact O-N 2.9Å; Y14-Y17 PolarHBondContact O-N 3.39Å; Y14-Y17 VanDerWaalsContact O-N 3.07Å; Y17-T19 PolarHBondContact O-N 2.68Å; Y17-Y20 WeakPolarHBondContact O-CB 3.4Å; Y17-Y20 PolarHBondContact O-N 3.36Å; Y17-F72 HydrophobicContact CD1-CD1 4.12Å; Y17-F72 HydrophobicContact CD1-CE1 4.21Å; Y17-F72 HydrophobicContact CD2-CD1 4.27Å; Y17-F72 AromaticContact CG-CD1 3.93Å; Y17-F72 HydrophobicContact CG-CD1 3.93Å; Y17-F72 AromaticContact CG-CE1 3.88Å; Y17-F72 HydrophobicContact CG-CE1 3.88Å; Y17-A167 HydrophobicContact CE2-CB 4.45Å; Y17-P168 HydrophobicContact CD2-CG 4.33Å
18S56.3Low61.9Low55 Ų5568.4 Ų68.439%0.38538%0.384SS..Hα-helixtrans-61.1-15.8179.9590000113.6Y14 A15 Y20 R198Y14-S18 WeakPolarHBondContact O-CB 3.5Å; Y14-S18 PolarHBondContact O-N 3.23Å; Y14-S18 PolarHBondContact O-OG 3.03Å; A15-S18 PolarHBondContact O-OG 3.16Å; S18-Y20 PolarHBondContact O-N 3.5Å; S18-R198 PolarHBondContact O-NH2 2.86Å
19T55Low62.4Low54 Ų5473.8 Ų73.833%0.33140%0.396SS..THydrogen-bonded Turntrans-64.221162.94.40000114.1A15 F16 Y17 R198A15-T19 PolarHBondContact O-OG1 3.04Å; A15-T19 VanDerWaalsContact O-OG1 3.12Å; F16-T19 PolarHBondContact O-OG1 3.19Å; Y17-T19 PolarHBondContact O-N 2.68Å; T19-R198 VanDerWaalsContact C-CZ 3.47Å; T19-R198 VanDerWaalsContact C-NE 3.3Å; T19-R198 VanDerWaalsContact CA-CZ 3.45Å; T19-R198 WeakPolarHBondContact O-CD 3.49Å; T19-R198 WeakPolarHBondContact O-CG 3.5Å; T19-R198 PolarHBondContact O-NE 3.35Å
20Y46.5Very low62.9Low78 Ų7878.7 Ų78.731%0.30642%0.418SS..THydrogen-bonded Turntrans-81.7-21.9179-151.6-100.6000113.8Y17 S18 Y165 Q197Y17-Y20 WeakPolarHBondContact O-CB 3.4Å; Y17-Y20 PolarHBondContact O-N 3.36Å; S18-Y20 PolarHBondContact O-N 3.5Å; Y20-Y165 HydrophobicContact CE2-CE1 4.42Å; Y20-Q197 HydrophobicContact CE2-CG 4.07Å; Y20-Q197 PolarHBondContact OH-NE2 3.04Å
21I38Very low63.7Low146 Ų14685.2 Ų85.275%0.74944%0.442SS*.  trans-118.187.1-168-55.3174.2000111.7R198I21-R198 PolarHBondContact O-NH2 3.49Å
22S44.3Very low64.3Low45 Ų4587.9 Ų87.932%0.31544%0.443SS..  trans-161140.6161.180.80000111.1R198S22-R198 VanDerWaalsContact OG-CD 3.3Å; S22-R198 WeakPolarHBondContact OG-CD 3.31Å; S22-R198 PolarHBondContact OG-NE 2.78Å; S22-R198 VanDerWaalsContact OG-NE 3.13Å
23D49.4Very low64.9Low136 Ų13684.9 Ų84.973%0.72743%0.425SS*.  trans-91.42.1-162.3-111.5-22.6000117.5T25D23-T25 PolarHBondContact O-N 3.13Å
24D54.1Low65.9Low120 Ų12092.7 Ų92.764%0.64245%0.453SS*.  trans-77.1123.3-178.1-80-27.6000113.8
25T60.7Low66.8Low74 Ų7491.7 Ų91.745%0.45446%0.455SS..  trans-101.81.7-168.449.60000115.5D23 P27 K133D23-T25 PolarHBondContact O-N 3.13Å; T25-P27 WeakPolarHBondContact O-CD 3.27Å; T25-K133 HydrophobicContact CG2-CD 3.81Å; T25-K133 VanDerWaalsContact CG2-NZ 3.3Å
26I70.1Confident67.7Low129 Ų12990.1 Ų90.166%0.66244%0.437SS*.PPolyproline II helixtrans-78.3121.6-173.2-56.3173000110.1W28I26-W28 PolarHBondContact O-N 2.91Å
27P76.3Confident68.7Low63 Ų6389.3 Ų89.341%0.40943%0.431SS..PPolyproline II helixtrans-53.7140.2171.5-25.835.2000111.4T25T25-P27 WeakPolarHBondContact O-CD 3.27Å
28W78.8Confident69.9Low61 Ų6191.1 Ų91.123%0.23145%0.452CS..PPolyproline II helixtrans-67.8136.1177-79.9-1.7000110.8I26 K32 V33 Y36 I199 R202 V203I26-W28 PolarHBondContact O-N 2.91Å; W28-K32 HydrophobicContact CB-CB 4.03Å; W28-K32 HydrophobicContact CD2-CB 4.22Å; W28-K32 HydrophobicContact CE3-CB 4.36Å; W28-K32 HydrophobicContact CG-CB 4.11Å; W28-K32 HydrophobicContact CG-CD 4.15Å; W28-V33 HydrophobicContact CB-CG2 3.83Å; W28-Y36 HydrophobicContact CZ3-CD1 4.09Å; W28-Y36 HydrophobicContact CZ3-CD2 4.35Å; W28-Y36 AromaticContact CZ3-CG 3.89Å; W28-Y36 HydrophobicContact CZ3-CG 3.89Å; W28-I199 HydrophobicContact CH2-CD1 3.83Å; W28-I199 HydrophobicContact CZ3-CD1 4.39Å; W28-R202 WeakPolarHBondContact CB-O 3.43Å; W28-R202 HydrophobicContact CD2-CB 3.92Å; W28-R202 HydrophobicContact CG-CB 3.9Å; W28-R202 PolarHBondContact N-O 3.34Å; W28-V203 HydrophobicContact CE3-CG2 3.93Å; W28-V203 HydrophobicContact CZ3-CG2 4.17Å
29K82Confident71.2Confident155 Ų15592.1 Ų92.167%0.67445%0.452SS*.PPolyproline II helixtrans-59.2147.6167.2-64.9-172.4177.6-174.80109.7W31 K32 V33K29-W31 PolarHBondContact O-N 2.82Å; K29-K32 WeakPolarHBondContact O-CB 3.25Å; K29-K32 PolarHBondContact O-N 3.07Å; K29-V33 PolarHBondContact O-N 2.64Å
30E81.3Confident72.4Confident111 Ų11191.7 Ų91.752%0.51945%0.451SS..Hα-helixtrans-45.4-40.4-178.7-82.9-62.813900114.3K32 V33 R34E30-K32 PolarHBondContact O-N 3.43Å; E30-V33 PolarHBondContact O-N 2.82Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 2.67Å
31W86Confident74Confident143 Ų14388.4 Ų88.454%0.54244%0.438SS..Hα-helixtrans-64.3-37.1179.772.8-96.2000113K29 R34 I35K29-W31 PolarHBondContact O-N 2.82Å; W31-R34 PolarHBondContact O-N 3.02Å; W31-I35 HydrophobicContact CE3-CD1 3.5Å; W31-I35 VanDerWaalsContact CE3-CD1 3.5Å; W31-I35 HydrophobicContact CE3-CG1 4.45Å; W31-I35 HydrophobicContact CZ3-CD1 3.54Å; W31-I35 WeakPolarHBondContact O-CG1 3.49Å; W31-I35 PolarHBondContact O-N 3.23Å
32K84.2Confident75.8Confident94 Ų9482.1 Ų82.141%0.40941%0.41SS..Hα-helixtrans-67.2-41.1174.8-71.2-171.4178.7-176.90110.4W28 K29 E30 R34 I35 Y36W28-K32 HydrophobicContact CB-CB 4.03Å; W28-K32 HydrophobicContact CD2-CB 4.22Å; W28-K32 HydrophobicContact CE3-CB 4.36Å; W28-K32 HydrophobicContact CG-CB 4.11Å; W28-K32 HydrophobicContact CG-CD 4.15Å; K29-K32 WeakPolarHBondContact O-CB 3.25Å; K29-K32 PolarHBondContact O-N 3.07Å; E30-K32 PolarHBondContact O-N 3.43Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 2.81Å; K32-I35 PolarHBondContact O-N 3.44Å; K32-Y36 WeakPolarHBondContact O-CB 3.04Å; K32-Y36 PolarHBondContact O-N 3Å
33V82Confident77.5Confident6 Ų685.1 Ų85.14%0.03642%0.418CS..Hα-helixtrans-62.2-41.3175.1-179.70000110.5W28 K29 E30 Y36 R37 V203W28-V33 HydrophobicContact CB-CG2 3.83Å; K29-V33 PolarHBondContact O-N 2.64Å; E30-V33 PolarHBondContact O-N 2.82Å; V33-Y36 PolarHBondContact O-N 3.38Å; V33-R37 HydrophobicContact CG1-CG 4.31Å; V33-R37 VanDerWaalsContact O-CB 3.29Å; V33-R37 WeakPolarHBondContact O-CB 3.49Å; V33-R37 WeakPolarHBondContact O-CD 3.15Å; V33-R37 WeakPolarHBondContact O-CG 3.39Å; V33-R37 PolarHBondContact O-N 2.94Å; V33-V203 HydrophobicContact CG1-CG1 4.19Å
34R85.8Confident79Confident168 Ų16884.2 Ų84.263%0.63441%0.408SS*.Hα-helixtrans-62.1-44.8175.1-73.6176.7-172.7-169.10.2112.6E30 W31 K32 R37 S38E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 2.67Å; W31-R34 PolarHBondContact O-N 3.02Å; K32-R34 VanDerWaalsContact C-N 3.32Å; K32-R34 PolarHBondContact O-N 2.81Å; R34-R37 PolarHBondContact O-N 3.27Å; R34-S38 PolarHBondContact O-N 3.48Å
35I84.5Confident80.1Confident93 Ų9378.5 Ų78.548%0.47738%0.378SS..Hα-helixtrans-62.3-44.4174.6-68.4173.7000110.6W31 K32 R37 S38 L39W31-I35 HydrophobicContact CE3-CD1 3.5Å; W31-I35 VanDerWaalsContact CE3-CD1 3.5Å; W31-I35 HydrophobicContact CE3-CG1 4.45Å; W31-I35 HydrophobicContact CZ3-CD1 3.54Å; W31-I35 WeakPolarHBondContact O-CG1 3.49Å; W31-I35 PolarHBondContact O-N 3.23Å; K32-I35 PolarHBondContact O-N 3.44Å; I35-R37 VanDerWaalsContact C-N 3.28Å; I35-R37 PolarHBondContact O-N 3.33Å; I35-S38 PolarHBondContact O-N 2.76Å; I35-S38 VanDerWaalsContact O-N 3.13Å; I35-S38 PolarHBondContact O-OG 3.44Å; I35-L39 PolarHBondContact O-N 2.89Å
36Y84.4Confident81.2Confident25 Ų2578.2 Ų78.210%0.09837%0.368CS..Hα-helixtrans-62.4-38.7178.1-174.6-123.6000111.8W28 K32 V33 S38 L39 L41 L193 S194 I199 V203W28-Y36 HydrophobicContact CZ3-CD1 4.09Å; W28-Y36 HydrophobicContact CZ3-CD2 4.35Å; W28-Y36 AromaticContact CZ3-CG 3.89Å; W28-Y36 HydrophobicContact CZ3-CG 3.89Å; K32-Y36 WeakPolarHBondContact O-CB 3.04Å; K32-Y36 PolarHBondContact O-N 3Å; V33-Y36 PolarHBondContact O-N 3.38Å; Y36-S38 VanDerWaalsContact C-N 3.32Å; Y36-S38 PolarHBondContact O-N 2.97Å; Y36-L39 HydrophobicContact CD2-CD1 3.81Å; Y36-L39 HydrophobicContact CE2-CD1 4.18Å; Y36-L39 WeakPolarHBondContact O-CB 3.3Å; Y36-L39 PolarHBondContact O-N 2.95Å; Y36-L41 HydrophobicContact CE2-CD1 3.99Å; Y36-L193 HydrophobicContact CD1-CD1 4.25Å; Y36-L193 HydrophobicContact CD1-CD2 3.9Å; Y36-L193 HydrophobicContact CD1-CG 4.48Å; Y36-L193 HydrophobicContact CE1-CB 3.88Å; Y36-L193 HydrophobicContact CE1-CD1 4.23Å; Y36-L193 HydrophobicContact CE1-CD2 3.74Å; Y36-L193 HydrophobicContact CE1-CG 4.13Å; Y36-S194 WeakPolarHBondContact OH-CB 3.23Å; Y36-S194 PolarHBondContact OH-N 2.62Å; Y36-S194 VanDerWaalsContact OH-N 3.09Å; Y36-I199 HydrophobicContact CE1-CG2 3.84Å; Y36-V203 HydrophobicContact CD1-CG2 4.28Å
37R84.6Confident81.7Confident66 Ų6676.3 Ų76.325%0.24936%0.362CS..Hα-helixtrans-69.7-23.6175-74.6169.471.5-175.98.1113.9V33 R34 I35 L39 Y191 L193V33-R37 HydrophobicContact CG1-CG 4.31Å; V33-R37 VanDerWaalsContact O-CB 3.29Å; V33-R37 WeakPolarHBondContact O-CB 3.49Å; V33-R37 WeakPolarHBondContact O-CD 3.15Å; V33-R37 WeakPolarHBondContact O-CG 3.39Å; V33-R37 PolarHBondContact O-N 2.94Å; R34-R37 PolarHBondContact O-N 3.27Å; I35-R37 VanDerWaalsContact C-N 3.28Å; I35-R37 PolarHBondContact O-N 3.33Å; R37-L39 VanDerWaalsContact C-N 3.3Å; R37-Y191 HydrophobicContact CB-CD1 4.13Å; R37-Y191 HydrophobicContact CB-CE1 3.56Å; R37-Y191 HydrophobicContact CG-CD1 4.1Å; R37-Y191 HydrophobicContact CG-CE1 3.82Å; R37-Y191 PolarHBondContact NE-OH 2.88Å; R37-Y191 VanDerWaalsContact NH2-CE2 3.32Å; R37-Y191 PolarHBondContact NH2-OH 3.15Å; R37-Y191 VanDerWaalsContact NH2-OH 3.11Å; R37-Y191 WeakPolarHBondContact O-CE1 2.99Å; R37-L193 HydrophobicContact CG-CD1 4.17Å; R37-L193 HydrophobicContact CG-CD2 4.37Å
38S83.3Confident81.9Confident91 Ų9174.1 Ų74.164%0.63635%0.346SS*.Hα-helixtrans-79.6-14.2175.966.70000112.9R34 I35 Y36R34-S38 PolarHBondContact O-N 3.48Å; I35-S38 PolarHBondContact O-N 2.76Å; I35-S38 VanDerWaalsContact O-N 3.13Å; I35-S38 PolarHBondContact O-OG 3.44Å; Y36-S38 VanDerWaalsContact C-N 3.32Å; Y36-S38 PolarHBondContact O-N 2.97Å
39L83.5Confident81.9Confident77 Ų7771.9 Ų71.940%0.40334%0.342SS..SBendtrans-62141173.3-64.4178.5000110.4I35 Y36 R37 L41I35-L39 PolarHBondContact O-N 2.89Å; Y36-L39 HydrophobicContact CD2-CD1 3.81Å; Y36-L39 HydrophobicContact CE2-CD1 4.18Å; Y36-L39 WeakPolarHBondContact O-CB 3.3Å; Y36-L39 PolarHBondContact O-N 2.95Å; R37-L39 VanDerWaalsContact C-N 3.3Å; L39-L41 HydrophobicContact CB-CD1 4.5Å; L39-L41 HydrophobicContact CB-CD2 4.09Å; L39-L41 HydrophobicContact CB-CG 3.88Å; L39-L41 HydrophobicContact CD1-CD2 4.48Å; L39-L41 PolarHBondContact O-N 2.88Å
40P81.3Confident82Confident45 Ų4568.9 Ų68.929%0.29234%0.337SS..  trans-76.240.7-177.127.3-29.6000113.6G42 Q43 F44P40-G42 PolarHBondContact O-N 2.81Å; P40-G42 VanDerWaalsContact O-N 3.12Å; P40-Q43 HydrophobicContact CB-CB 4.24Å; P40-Q43 HydrophobicContact CB-CG 4.46Å; P40-Q43 WeakPolarHBondContact O-CA 3.14Å; P40-Q43 WeakPolarHBondContact O-CB 3.23Å; P40-Q43 PolarHBondContact O-N 3.08Å; P40-F44 HydrophobicContact CB-CE2 4.42Å; P40-F44 HydrophobicContact CG-CD2 4.15Å; P40-F44 HydrophobicContact CG-CE2 3.53Å; P40-F44 HydrophobicContact CG-CZ 3.75Å; P40-F44 PolarHBondContact O-N 2.98Å
41L80Confident82.2Confident9 Ų964.8 Ų64.85%0.04732%0.32CS..Hα-helixtrans-57.6-33.6-172.6-60.2-179.7000113.3Y36 L39 F44 S45 L193 T232Y36-L41 HydrophobicContact CE2-CD1 3.99Å; L39-L41 HydrophobicContact CB-CD1 4.5Å; L39-L41 HydrophobicContact CB-CD2 4.09Å; L39-L41 HydrophobicContact CB-CG 3.88Å; L39-L41 HydrophobicContact CD1-CD2 4.48Å; L39-L41 PolarHBondContact O-N 2.88Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; L41-S45 WeakPolarHBondContact O-CB 3.01Å; L41-S45 PolarHBondContact O-N 2.78Å; L41-S45 PolarHBondContact O-OG 3.4Å; L41-L193 HydrophobicContact CD1-CD2 3.91Å; L41-T232 HydrophobicContact CB-CG2 4.46Å; L41-T232 HydrophobicContact CD2-CG2 4.19Å
42G75.2Confident82.2Confident14 Ų1458 Ų5814%0.14429%0.294CS..Hα-helixtrans-69-37.5174.500000113.2P40 S45 R46P40-G42 PolarHBondContact O-N 2.81Å; P40-G42 VanDerWaalsContact O-N 3.12Å; G42-S45 PolarHBondContact O-N 2.89Å; G42-R46 PolarHBondContact O-N 2.79Å
43Q79.7Confident82.3Confident107 Ų10756.8 Ų56.850%0.530%0.297SS..Hα-helixtrans-68.8-43.2175.9-62.9156.1100110P40 S45 R46 V47P40-Q43 HydrophobicContact CB-CB 4.24Å; P40-Q43 HydrophobicContact CB-CG 4.46Å; P40-Q43 WeakPolarHBondContact O-CA 3.14Å; P40-Q43 WeakPolarHBondContact O-CB 3.23Å; P40-Q43 PolarHBondContact O-N 3.08Å; Q43-S45 VanDerWaalsContact C-N 3.32Å; Q43-S45 PolarHBondContact O-N 3Å; Q43-R46 PolarHBondContact O-N 3.16Å; Q43-V47 WeakPolarHBondContact O-CG2 3.47Å; Q43-V47 PolarHBondContact O-N 2.97Å
44F81.4Confident82.7Confident117 Ų11759.3 Ų59.351%0.51331%0.31SS..Hα-helixtrans-59.7-42172-67-42.8000112.1P40 L41 R46 V47 W48P40-F44 HydrophobicContact CB-CE2 4.42Å; P40-F44 HydrophobicContact CG-CD2 4.15Å; P40-F44 HydrophobicContact CG-CE2 3.53Å; P40-F44 HydrophobicContact CG-CZ 3.75Å; P40-F44 PolarHBondContact O-N 2.98Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.84Å; F44-V47 PolarHBondContact O-N 3.18Å; F44-W48 WeakPolarHBondContact O-CB 3.48Å; F44-W48 PolarHBondContact O-N 2.78Å
45S78.1Confident83Confident0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-63.8-34.2178.1-570000112.4L41 G42 Q43 W48 G49 N233L41-S45 WeakPolarHBondContact O-CB 3.01Å; L41-S45 PolarHBondContact O-N 2.78Å; L41-S45 PolarHBondContact O-OG 3.4Å; G42-S45 PolarHBondContact O-N 2.89Å; Q43-S45 VanDerWaalsContact C-N 3.32Å; Q43-S45 PolarHBondContact O-N 3Å; S45-W48 WeakPolarHBondContact O-CB 3.17Å; S45-G49 PolarHBondContact O-N 3.01Å; S45-N233 PolarHBondContact OG-N 2.87Å
46R81.9Confident83.5Confident68 Ų6853.6 Ų53.626%0.25729%0.288SS..Hα-helixtrans-69.9-49.4173.5-75.5-173.5-71.1-89.93.8112.4G42 Q43 F44 W48 G49 T50 N248G42-R46 PolarHBondContact O-N 2.79Å; Q43-R46 PolarHBondContact O-N 3.16Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.84Å; R46-W48 PolarHBondContact O-N 2.71Å; R46-G49 PolarHBondContact O-N 3.29Å; R46-G49 VanDerWaalsContact O-N 3.12Å; R46-T50 PolarHBondContact O-N 2.81Å; R46-T50 PolarHBondContact O-OG1 2.84Å; R46-N248 WeakPolarHBondContact CG-ND2 3.35Å; R46-N248 PolarHBondContact NH1-O 3.34Å; R46-N248 PolarHBondContact NH1-OD1 3.4Å; R46-N248 VanDerWaalsContact NH1-OD1 3.12Å
47V82Confident83.9Confident89 Ų8955.7 Ų55.754%0.53931%0.305SS..Hα-helixtrans-58-42.5176.3174.40000110.1Q43 F44 T50 V51Q43-V47 WeakPolarHBondContact O-CG2 3.47Å; Q43-V47 PolarHBondContact O-N 2.97Å; F44-V47 PolarHBondContact O-N 3.18Å; V47-T50 WeakPolarHBondContact O-CB 3.23Å; V47-T50 PolarHBondContact O-N 2.81Å; V47-V51 HydrophobicContact CG1-CG2 4.28Å; V47-V51 WeakPolarHBondContact O-CB 3.42Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.82Å
48W79.7Confident84.4Confident17 Ų1757.6 Ų57.66%0.06432%0.32CS..Hα-helixtrans-56.8-49174.2-178-96.7000112.7S9 V12 A13 F44 S45 R46 T50 V51 N52 N233 F279S9-W48 VanDerWaalsContact CA-CH2 3.46Å; S9-W48 WeakPolarHBondContact O-CH2 3.43Å; S9-W48 WeakPolarHBondContact O-CZ3 3.33Å; V12-W48 HydrophobicContact CB-CH2 4.42Å; V12-W48 HydrophobicContact CB-CZ3 3.83Å; V12-W48 HydrophobicContact CG1-CZ3 4.13Å; A13-W48 HydrophobicContact CB-CH2 3.59Å; A13-W48 HydrophobicContact CB-CZ2 3.77Å; F44-W48 WeakPolarHBondContact O-CB 3.48Å; F44-W48 PolarHBondContact O-N 2.78Å; S45-W48 WeakPolarHBondContact O-CB 3.17Å; R46-W48 PolarHBondContact O-N 2.71Å; W48-T50 VanDerWaalsContact C-N 3.33Å; W48-T50 PolarHBondContact O-N 2.88Å; W48-V51 PolarHBondContact O-N 2.86Å; W48-N52 VanDerWaalsContact CD1-ND2 3.29Å; W48-N52 PolarHBondContact NE1-ND2 3.02Å; W48-N52 WeakPolarHBondContact O-CB 3.37Å; W48-N52 VanDerWaalsContact O-CG 3.3Å; W48-N52 PolarHBondContact O-N 3.41Å; W48-N233 HydrophobicContact CD2-CB 4.27Å; W48-N233 HydrophobicContact CG-CB 4.07Å; W48-F279 HydrophobicContact CZ2-CE1 4.12Å; W48-F279 HydrophobicContact CZ2-CZ 4.04Å; W48-F279 AromaticContact NE1-CD1 3.86Å; W48-F279 AromaticContact NE1-CD2 3.54Å; W48-F279 AromaticContact NE1-CE1 3.93Å; W48-F279 AromaticContact NE1-CE2 3.65Å; W48-F279 AromaticContact NE1-CG 3.69Å; W48-F279 AromaticContact NE1-CZ 3.85Å
49G79.7Confident84.9Confident15 Ų1561 Ų6116%0.15533%0.33CS..Hα-helixtrans-57.3-45.5174.600000112.1S45 R46 N52 S53S45-G49 PolarHBondContact O-N 3.01Å; R46-G49 PolarHBondContact O-N 3.29Å; R46-G49 VanDerWaalsContact O-N 3.12Å; G49-N52 PolarHBondContact O-N 2.78Å; G49-S53 PolarHBondContact O-N 3.02Å; G49-S53 VanDerWaalsContact O-N 3.08Å; G49-S53 PolarHBondContact O-OG 3.21Å
50T83.9Confident85.4Confident91 Ų9160.4 Ų60.456%0.55833%0.327SS*.Hα-helixtrans-60-50.4175.7-55.10000111.2R46 V47 W48 N52 S53 I54R46-T50 PolarHBondContact O-N 2.81Å; R46-T50 PolarHBondContact O-OG1 2.84Å; V47-T50 WeakPolarHBondContact O-CB 3.23Å; V47-T50 PolarHBondContact O-N 2.81Å; W48-T50 VanDerWaalsContact C-N 3.33Å; W48-T50 PolarHBondContact O-N 2.88Å; T50-N52 VanDerWaalsContact C-N 3.3Å; T50-N52 PolarHBondContact O-N 3.45Å; T50-S53 PolarHBondContact O-N 3.02Å; T50-S53 VanDerWaalsContact O-N 3.14Å; T50-S53 PolarHBondContact O-OG 2.99Å; T50-I54 WeakPolarHBondContact O-CG1 3.14Å; T50-I54 PolarHBondContact O-N 3.42Å
51V85.3Confident86.1Confident26 Ų2660.4 Ų60.416%0.15832%0.321CS..Hα-helixtrans-59.4-41.2179.8167.70000111.9A5 V47 W48 S53 I54A5-V51 HydrophobicContact CB-CG1 3.7Å; A5-V51 HydrophobicContact CB-CG2 4.22Å; A5-V51 VanDerWaalsContact O-CG1 3.27Å; A5-V51 WeakPolarHBondContact O-CG1 3.4Å; V47-V51 HydrophobicContact CG1-CG2 4.28Å; V47-V51 WeakPolarHBondContact O-CB 3.42Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.82Å; W48-V51 PolarHBondContact O-N 2.86Å; V51-S53 VanDerWaalsContact C-N 3.27Å; V51-S53 PolarHBondContact O-N 2.9Å; V51-I54 WeakPolarHBondContact O-CB 3.25Å; V51-I54 WeakPolarHBondContact O-CG1 3.24Å; V51-I54 PolarHBondContact O-N 2.77Å
52N85.3Confident86.8Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-77.1-14.1-178.7-70.3-11.8000113.9S9 W48 G49 T50 T89 L90 Q91 F279S9-N52 WeakPolarHBondContact CB-OD1 3.22Å; S9-N52 PolarHBondContact OG-OD1 3.08Å; W48-N52 VanDerWaalsContact CD1-ND2 3.29Å; W48-N52 PolarHBondContact NE1-ND2 3.02Å; W48-N52 WeakPolarHBondContact O-CB 3.37Å; W48-N52 VanDerWaalsContact O-CG 3.3Å; W48-N52 PolarHBondContact O-N 3.41Å; G49-N52 PolarHBondContact O-N 2.78Å; T50-N52 VanDerWaalsContact C-N 3.3Å; T50-N52 PolarHBondContact O-N 3.45Å; N52-T89 VanDerWaalsContact O-CB 3.31Å; N52-T89 WeakPolarHBondContact O-CB 3.19Å; N52-L90 HydrophobicContact CB-CB 4.24Å; N52-L90 PolarHBondContact O-N 2.9Å; N52-Q91 HydrophobicContact CB-CB 4.35Å; N52-Q91 WeakPolarHBondContact O-CB 3.39Å; N52-Q91 PolarHBondContact O-N 3.05Å; N52-F279 WeakPolarHBondContact ND2-CE2 3.49Å
53S87.4Confident87.8Confident68 Ų6870.1 Ų70.148%0.47636%0.361SS..THydrogen-bonded Turntrans-87.1-3.917066.10000113.6G49 T50 V51 E55 T89G49-S53 PolarHBondContact O-N 3.02Å; G49-S53 VanDerWaalsContact O-N 3.08Å; G49-S53 PolarHBondContact O-OG 3.21Å; T50-S53 PolarHBondContact O-N 3.02Å; T50-S53 VanDerWaalsContact O-N 3.14Å; T50-S53 PolarHBondContact O-OG 2.99Å; V51-S53 VanDerWaalsContact C-N 3.27Å; V51-S53 PolarHBondContact O-N 2.9Å; S53-E55 PolarHBondContact O-N 3.02Å; S53-T89 VanDerWaalsContact O-CG2 3.28Å; S53-T89 WeakPolarHBondContact O-CG2 3.27Å
54I89.5Confident88.4Confident60 Ų6065.5 Ų65.531%0.30834%0.34SS..SBendtrans-71131.4176.5-58.5174.6000109.3A2 T50 V51 I56A2-I54 HydrophobicContact CB-CG2 3.37Å; T50-I54 WeakPolarHBondContact O-CG1 3.14Å; T50-I54 PolarHBondContact O-N 3.42Å; V51-I54 WeakPolarHBondContact O-CB 3.25Å; V51-I54 WeakPolarHBondContact O-CG1 3.24Å; V51-I54 PolarHBondContact O-N 2.77Å; I54-I56 PolarHBondContact O-N 3.25Å
55E93.3Very high89Confident137 Ų13760 Ų6064%0.6432%0.315SS*.PPolyproline II helixtrans-63.8129.2176.2-68.1-166.7165.700112S53 S88 T89S53-E55 PolarHBondContact O-N 3.02Å; E55-S88 WeakPolarHBondContact CA-O 3.43Å; E55-T89 HydrophobicContact CG-CG2 4.3Å
56I93.4Very high89.8Confident3 Ų360.4 Ų60.42%0.01532%0.32CS..PPolyproline II helixtrans-91.7127.2175.7-55.7169.1000107.7T6 I54 L58 L60 R61 I64 L65 S88T6-I56 HydrophobicContact CG2-CD1 4.09Å; I54-I56 PolarHBondContact O-N 3.25Å; I56-L58 PolarHBondContact O-N 3.39Å; I56-L60 HydrophobicContact CG2-CB 3.87Å; I56-R61 HydrophobicContact CB-CG 3.96Å; I56-R61 HydrophobicContact CG2-CG 3.94Å; I56-R61 WeakPolarHBondContact O-CG 3.33Å; I56-R61 PolarHBondContact O-NE 3.47Å; I56-I64 HydrophobicContact CD1-CG2 4.1Å; I56-I64 HydrophobicContact CG2-CD1 3.78Å; I56-L65 HydrophobicContact CD1-CD2 3.85Å; I56-L65 HydrophobicContact CD1-CG 4.2Å; I56-S88 PolarHBondContact N-O 3.49Å
57P94.3Very high90.3Very high69 Ų6958.9 Ų58.945%0.44832%0.322SS..PPolyproline II helixtrans-52.9140.8173.9-26.734.7000111.6L59 L60 R61P57-L59 VanDerWaalsContact C-N 3.25Å; P57-L59 PolarHBondContact O-N 3.09Å; P57-L59 VanDerWaalsContact O-N 3.09Å; P57-L60 HydrophobicContact CB-CD1 4.46Å; P57-L60 HydrophobicContact CG-CD1 4.34Å; P57-L60 WeakPolarHBondContact O-CA 3.39Å; P57-L60 PolarHBondContact O-N 3.32Å; P57-R61 PolarHBondContact O-N 3.08Å; P57-R61 VanDerWaalsContact O-N 3.16Å
58L93.6Very high90.7Very high107 Ų10754.7 Ų54.756%0.5630%0.296SS*.Hα-helixtrans-50.8-42.4-171.4-174.665.2000113.4I56 L60 R61 R85I56-L58 PolarHBondContact O-N 3.39Å; L58-L60 PolarHBondContact O-N 3.19Å; L58-R61 PolarHBondContact O-N 3.42Å; L58-R85 HydrophobicContact CD1-CB 4.2Å
59L95.2Very high91.4Very high161 Ų16154.2 Ų54.284%0.84330%0.296SS*.Hα-helixtrans-63.2-25.3178.3-64.7173000113.4P57P57-L59 VanDerWaalsContact C-N 3.25Å; P57-L59 PolarHBondContact O-N 3.09Å; P57-L59 VanDerWaalsContact O-N 3.09Å
60L94.2Very high92Very high65 Ų6562.2 Ų62.234%0.3432%0.322SS..Hα-helixtrans-102.3-9.6-175.6-61.2178.5000113.6V3 I56 P57 L58 P63 I64V3-L60 HydrophobicContact CB-CD1 4.34Å; V3-L60 HydrophobicContact CG1-CD1 4.21Å; V3-L60 HydrophobicContact CG2-CD1 3.28Å; I56-L60 HydrophobicContact CG2-CB 3.87Å; P57-L60 HydrophobicContact CB-CD1 4.46Å; P57-L60 HydrophobicContact CG-CD1 4.34Å; P57-L60 WeakPolarHBondContact O-CA 3.39Å; P57-L60 PolarHBondContact O-N 3.32Å; L58-L60 PolarHBondContact O-N 3.19Å; L60-P63 VanDerWaalsContact C-CD 3.49Å; L60-P63 HydrophobicContact CD2-CG 4.38Å; L60-P63 VanDerWaalsContact O-CD 3.26Å; L60-P63 WeakPolarHBondContact O-CD 3.25Å; L60-P63 VanDerWaalsContact O-CG 3.31Å; L60-P63 WeakPolarHBondContact O-CG 3.32Å; L60-I64 HydrophobicContact CB-CD1 3.99Å; L60-I64 WeakPolarHBondContact O-CB 3.44Å; L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.28Å; L60-I64 PolarHBondContact O-N 2.76Å; L60-I64 VanDerWaalsContact O-N 3.07Å
61R95Very high92.2Very high46 Ų4660.8 Ų60.817%0.17431%0.31CS..Hα-helixtrans-58-52.9177.6-70.9175.2-172.8-175.2-1.5111.6I56 P57 L58 I64 L65 R85 Y87I56-R61 HydrophobicContact CB-CG 3.96Å; I56-R61 HydrophobicContact CG2-CG 3.94Å; I56-R61 WeakPolarHBondContact O-CG 3.33Å; I56-R61 PolarHBondContact O-NE 3.47Å; P57-R61 PolarHBondContact O-N 3.08Å; P57-R61 VanDerWaalsContact O-N 3.16Å; L58-R61 PolarHBondContact O-N 3.42Å; R61-I64 PolarHBondContact O-N 3.01Å; R61-L65 HydrophobicContact CB-CD1 4.4Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 VanDerWaalsContact O-CG 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.16Å; R61-L65 PolarHBondContact O-N 2.88Å; R61-R85 VanDerWaalsContact CD-O 3.26Å; R61-R85 WeakPolarHBondContact CD-O 3.37Å; R61-R85 PolarHBondContact NH1-O 3.37Å; R61-Y87 VanDerWaalsContact CD-O 3.22Å; R61-Y87 WeakPolarHBondContact CD-O 3.27Å
62R95.1Very high92.3Very high160 Ų16059.9 Ų59.960%0.60430%0.304SS*.Hα-helixtrans-59.6-49-179.3-169.3173.7179.5171.60.2113.6G66 R85R62-G66 VanDerWaalsContact O-CA 3.27Å; R62-G66 WeakPolarHBondContact O-CA 3.46Å; R62-G66 PolarHBondContact O-N 3.12Å; R62-R85 HydrophobicContact CB-CG 4.28Å
63P94.8Very high92.6Very high66 Ų6665.9 Ų65.943%0.42934%0.336SS..Hα-helixtrans-67.7-42.1178.823.3-32.9000113.3L60 A67L60-P63 VanDerWaalsContact C-CD 3.49Å; L60-P63 HydrophobicContact CD2-CG 4.38Å; L60-P63 VanDerWaalsContact O-CD 3.26Å; L60-P63 WeakPolarHBondContact O-CD 3.25Å; L60-P63 VanDerWaalsContact O-CG 3.31Å; L60-P63 WeakPolarHBondContact O-CG 3.32Å; P63-A67 WeakPolarHBondContact O-CB 3.15Å; P63-A67 PolarHBondContact O-N 2.85Å
64I92.7Very high92.9Very high11 Ų1163.3 Ų63.36%0.05632%0.317CS..Hα-helixtrans-70.9-52.7-177.2-64.6175.8000110.9V3 T6 V7 I10 I56 L60 R61 G66 A67 Y68V3-I64 HydrophobicContact CB-CD1 4.3Å; V3-I64 HydrophobicContact CG1-CD1 3.76Å; V3-I64 HydrophobicContact CG2-CD1 4.23Å; T6-I64 HydrophobicContact CG2-CG2 3.71Å; V7-I64 HydrophobicContact CG2-CD1 4.31Å; V7-I64 HydrophobicContact CG2-CG1 4.1Å; V7-I64 HydrophobicContact CG2-CG2 4.49Å; I10-I64 HydrophobicContact CD1-CG2 3.77Å; I10-I64 WeakPolarHBondContact CD1-O 3.28Å; I56-I64 HydrophobicContact CD1-CG2 4.1Å; I56-I64 HydrophobicContact CG2-CD1 3.78Å; L60-I64 HydrophobicContact CB-CD1 3.99Å; L60-I64 WeakPolarHBondContact O-CB 3.44Å; L60-I64 VanDerWaalsContact O-CG1 3.29Å; L60-I64 WeakPolarHBondContact O-CG1 3.28Å; L60-I64 PolarHBondContact O-N 2.76Å; L60-I64 VanDerWaalsContact O-N 3.07Å; R61-I64 PolarHBondContact O-N 3.01Å; I64-G66 VanDerWaalsContact C-N 3.27Å; I64-G66 PolarHBondContact O-N 3.04Å; I64-A67 WeakPolarHBondContact O-CB 3.31Å; I64-A67 PolarHBondContact O-N 2.87Å; I64-Y68 PolarHBondContact O-N 2.96Å; I64-Y68 VanDerWaalsContact O-N 3.14Å
65L94Very high93Very high0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-68.2-31.5179-57.4178.5000111.1I56 R61 Y68 A69 L84 L90 F93I56-L65 HydrophobicContact CD1-CD2 3.85Å; I56-L65 HydrophobicContact CD1-CG 4.2Å; R61-L65 HydrophobicContact CB-CD1 4.4Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 VanDerWaalsContact O-CG 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.16Å; R61-L65 PolarHBondContact O-N 2.88Å; L65-Y68 PolarHBondContact O-N 2.89Å; L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 2.92Å; L65-L84 HydrophobicContact CB-CB 4.31Å; L65-L84 HydrophobicContact CB-CD1 4.28Å; L65-L84 HydrophobicContact CB-CD2 4.05Å; L65-L84 HydrophobicContact CB-CG 4.46Å; L65-L84 WeakPolarHBondContact CD1-O 3.11Å; L65-L90 HydrophobicContact CD2-CB 4.1Å; L65-L90 HydrophobicContact CD2-CD1 3.7Å; L65-F93 HydrophobicContact CD1-CB 4.23Å; L65-F93 HydrophobicContact CD2-CB 4.12Å; L65-F93 HydrophobicContact CD2-CD1 4.5Å; L65-F93 HydrophobicContact CD2-CG 4.46Å
66G94.8Very high93Very high9 Ų959.5 Ų59.59%0.09330%0.302CS..Hα-helixtrans-69.4-32.8174.700000112.7R62 I64 R70 L84R62-G66 VanDerWaalsContact O-CA 3.27Å; R62-G66 WeakPolarHBondContact O-CA 3.46Å; R62-G66 PolarHBondContact O-N 3.12Å; I64-G66 VanDerWaalsContact C-N 3.27Å; I64-G66 PolarHBondContact O-N 3.04Å; G66-R70 WeakPolarHBondContact O-CB 3.35Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.28Å; G66-R70 PolarHBondContact O-NE 3.36Å; G66-L84 VanDerWaalsContact CA-CD1 3.48Å
67A92.2Very high93.1Very high37 Ų3765 Ų6531%0.30633%0.329SS..Hα-helixtrans-63.9-46.4170.200000111P63 I64 R70 M71P63-A67 WeakPolarHBondContact O-CB 3.15Å; P63-A67 PolarHBondContact O-N 2.85Å; I64-A67 WeakPolarHBondContact O-CB 3.31Å; I64-A67 PolarHBondContact O-N 2.87Å; A67-R70 PolarHBondContact O-N 2.94Å; A67-M71 WeakPolarHBondContact O-CB 3.38Å; A67-M71 PolarHBondContact O-N 3.18Å
68Y91.2Very high93.1Very high0 Ų062.8 Ų62.80%031%0.312CS..Hα-helixtrans-59.1-50174-174.9-81.9000111.7I10 I64 L65 R70 M71 F72 L90 F93 F94 P168 F279I10-Y68 HydrophobicContact CG1-CD2 4.01Å; I10-Y68 HydrophobicContact CG2-CD2 4.32Å; I64-Y68 PolarHBondContact O-N 2.96Å; I64-Y68 VanDerWaalsContact O-N 3.14Å; L65-Y68 PolarHBondContact O-N 2.89Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 2.81Å; Y68-M71 PolarHBondContact O-N 3.48Å; Y68-M71 VanDerWaalsContact O-N 3.13Å; Y68-F72 AromaticContact CD1-CD2 3.81Å; Y68-F72 HydrophobicContact CD1-CD2 3.81Å; Y68-F72 AromaticContact CD2-CD2 3.52Å; Y68-F72 HydrophobicContact CD2-CD2 3.52Å; Y68-F72 AromaticContact CD2-CE2 3.39Å; Y68-F72 HydrophobicContact CD2-CE2 3.39Å; Y68-F72 HydrophobicContact CE1-CB 4.41Å; Y68-F72 AromaticContact CE1-CD2 3.66Å; Y68-F72 HydrophobicContact CE1-CD2 3.66Å; Y68-F72 HydrophobicContact CE1-CE2 4.41Å; Y68-F72 HydrophobicContact CE1-CG 4.37Å; Y68-F72 AromaticContact CE2-CD2 3.37Å; Y68-F72 HydrophobicContact CE2-CD2 3.37Å; Y68-F72 AromaticContact CE2-CE2 3.25Å; Y68-F72 HydrophobicContact CE2-CE2 3.25Å; Y68-F72 HydrophobicContact CE2-CG 4.49Å; Y68-F72 HydrophobicContact CE2-CZ 4.29Å; Y68-F72 AromaticContact CG-CD2 3.76Å; Y68-F72 HydrophobicContact CG-CD2 3.76Å; Y68-F72 HydrophobicContact CG-CE2 4.07Å; Y68-F72 AromaticContact CZ-CD2 3.44Å; Y68-F72 VanDerWaalsContact CZ-CD2 3.44Å; Y68-F72 AromaticContact CZ-CE2 3.81Å; Y68-F72 WeakPolarHBondContact O-CD2 3.21Å; Y68-F72 PolarHBondContact O-N 2.77Å; Y68-L90 HydrophobicContact CD1-CD1 4.2Å; Y68-L90 HydrophobicContact CD2-CD1 3.79Å; Y68-L90 HydrophobicContact CD2-CD2 4.06Å; Y68-L90 HydrophobicContact CE2-CD1 4.22Å; Y68-L90 HydrophobicContact CE2-CD2 4.29Å; Y68-L90 HydrophobicContact CG-CD1 3.76Å; Y68-F93 HydrophobicContact CD1-CD1 4.18Å; Y68-F93 AromaticContact CD1-CE1 3.75Å; Y68-F93 HydrophobicContact CD1-CE1 3.75Å; Y68-F93 HydrophobicContact CE1-CE1 4.24Å; Y68-F94 WeakPolarHBondContact OH-CD2 3.4Å; Y68-F94 VanDerWaalsContact OH-CE2 3.29Å; Y68-F94 WeakPolarHBondContact OH-CE2 3.28Å; Y68-P168 WeakPolarHBondContact OH-CB 3.14Å; Y68-P168 PolarHBondContact OH-O 3.36Å; Y68-F279 HydrophobicContact CE2-CE1 4.28Å; Y68-F279 AromaticContact CE2-CZ 3.78Å; Y68-F279 HydrophobicContact CE2-CZ 3.78Å; Y68-F279 AromaticContact CZ-CZ 3.91Å; Y68-F279 WeakPolarHBondContact OH-CE1 3.44Å; Y68-F279 WeakPolarHBondContact OH-CZ 3.36Å
69A93.5Very high93.2Very high7 Ų757.7 Ų57.76%0.05829%0.286CS..Hα-helixtrans-58-43.2-178.200000112.1L65 N73 C74 L76 F93L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 2.92Å; A69-N73 CarbonylContact O-C 3.46Å; A69-N73 WeakPolarHBondContact O-CA 3.34Å; A69-N73 PolarHBondContact O-N 3.03Å; A69-C74 HydrophobicContact CB-CB 3.97Å; A69-C74 PolarHBondContact O-N 2.89Å; A69-L76 HydrophobicContact CB-CD1 4.41Å; A69-L76 HydrophobicContact CB-CD2 4.09Å; A69-L76 HydrophobicContact CB-CG 4.45Å; A69-F93 HydrophobicContact CB-CE1 4.48Å; A69-F93 HydrophobicContact CB-CZ 4.18Å
70R93.2Very high93.2Very high183 Ų18355.9 Ų55.969%0.69127%0.273SS*.Hα-helixtrans-67.4-43.2175.2-73.8-178.2-66.5-145.92.3112.5G66 A67 Y68 F72 N73G66-R70 WeakPolarHBondContact O-CB 3.35Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.28Å; G66-R70 PolarHBondContact O-NE 3.36Å; A67-R70 PolarHBondContact O-N 2.94Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 2.81Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.4Å; R70-N73 PolarHBondContact O-N 2.73Å; R70-N73 PolarHBondContact O-OD1 2.78Å
71M88.2Confident93.2Very high62 Ų6256.7 Ų56.731%0.30528%0.276SS..Hα-helixtrans-64.3-35.8-176.3178.9178.8-81.800112.9I10 Y14 A67 Y68I10-M71 HydrophobicContact CG2-CE 3.89Å; I10-M71 HydrophobicContact CG2-SD 3.37Å; I10-M71 WeakPolarHBondContact CG2-SD 3.46Å; Y14-M71 VanDerWaalsContact CB-SD 3.53Å; Y14-M71 HydrophobicContact CD2-CE 4.22Å; Y14-M71 HydrophobicContact CD2-CG 3.41Å; Y14-M71 VanDerWaalsContact CD2-CG 3.41Å; Y14-M71 HydrophobicContact CD2-SD 3.78Å; Y14-M71 HydrophobicContact CE2-CG 4.1Å; Y14-M71 HydrophobicContact CG-CE 4.14Å; Y14-M71 HydrophobicContact CG-CG 4.16Å; Y14-M71 HydrophobicContact CG-SD 3.91Å; A67-M71 WeakPolarHBondContact O-CB 3.38Å; A67-M71 PolarHBondContact O-N 3.18Å; Y68-M71 PolarHBondContact O-N 3.48Å; Y68-M71 VanDerWaalsContact O-N 3.13Å
72F88.1Confident93.2Very high7 Ų757.2 Ų57.23%0.03129%0.286CS..THydrogen-bonded Turntrans-108.311.5-178.8-59-69.5000113.7I10 A13 Y17 Y68 R70 C74 P168 G169I10-F72 HydrophobicContact CG2-CE2 4.44Å; A13-F72 HydrophobicContact CB-CE1 4.42Å; A13-F72 HydrophobicContact CB-CE2 4.21Å; A13-F72 HydrophobicContact CB-CZ 3.58Å; Y17-F72 HydrophobicContact CD1-CD1 4.12Å; Y17-F72 HydrophobicContact CD1-CE1 4.21Å; Y17-F72 HydrophobicContact CD2-CD1 4.27Å; Y17-F72 AromaticContact CG-CD1 3.93Å; Y17-F72 HydrophobicContact CG-CD1 3.93Å; Y17-F72 AromaticContact CG-CE1 3.88Å; Y17-F72 HydrophobicContact CG-CE1 3.88Å; Y68-F72 AromaticContact CD1-CD2 3.81Å; Y68-F72 HydrophobicContact CD1-CD2 3.81Å; Y68-F72 AromaticContact CD2-CD2 3.52Å; Y68-F72 HydrophobicContact CD2-CD2 3.52Å; Y68-F72 AromaticContact CD2-CE2 3.39Å; Y68-F72 HydrophobicContact CD2-CE2 3.39Å; Y68-F72 HydrophobicContact CE1-CB 4.41Å; Y68-F72 AromaticContact CE1-CD2 3.66Å; Y68-F72 HydrophobicContact CE1-CD2 3.66Å; Y68-F72 HydrophobicContact CE1-CE2 4.41Å; Y68-F72 HydrophobicContact CE1-CG 4.37Å; Y68-F72 AromaticContact CE2-CD2 3.37Å; Y68-F72 HydrophobicContact CE2-CD2 3.37Å; Y68-F72 AromaticContact CE2-CE2 3.25Å; Y68-F72 HydrophobicContact CE2-CE2 3.25Å; Y68-F72 HydrophobicContact CE2-CG 4.49Å; Y68-F72 HydrophobicContact CE2-CZ 4.29Å; Y68-F72 AromaticContact CG-CD2 3.76Å; Y68-F72 HydrophobicContact CG-CD2 3.76Å; Y68-F72 HydrophobicContact CG-CE2 4.07Å; Y68-F72 AromaticContact CZ-CD2 3.44Å; Y68-F72 VanDerWaalsContact CZ-CD2 3.44Å; Y68-F72 AromaticContact CZ-CE2 3.81Å; Y68-F72 WeakPolarHBondContact O-CD2 3.21Å; Y68-F72 PolarHBondContact O-N 2.77Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.4Å; F72-C74 VanDerWaalsContact C-N 3.32Å; F72-C74 PolarHBondContact O-N 2.94Å; F72-P168 HydrophobicContact CB-CB 4.43Å; F72-P168 HydrophobicContact CD1-CB 3.71Å; F72-P168 HydrophobicContact CD1-CG 4.1Å; F72-P168 HydrophobicContact CD2-CB 4.44Å; F72-P168 HydrophobicContact CE1-CB 4.04Å; F72-P168 HydrophobicContact CE1-CG 4.18Å; F72-P168 HydrophobicContact CG-CB 3.93Å; F72-G169 WeakPolarHBondContact O-CA 3.47Å
73N91.2Very high93.2Very high126 Ų12652.3 Ų52.367%0.67427%0.272SS*.THydrogen-bonded Turntrans51.646.1-178.8-61.7-41.8000113.2A69 R70 D75A69-N73 CarbonylContact O-C 3.46Å; A69-N73 WeakPolarHBondContact O-CA 3.34Å; A69-N73 PolarHBondContact O-N 3.03Å; R70-N73 PolarHBondContact O-N 2.73Å; R70-N73 PolarHBondContact O-OD1 2.78Å; N73-D75 PolarHBondContact O-N 2.92Å
74C92.6Very high93.2Very high13 Ų1349.8 Ų49.89%0.08825%0.254CS..  trans-68123.9173.7-59.60000110A69 F72 L76 F93 G169A69-C74 HydrophobicContact CB-CB 3.97Å; A69-C74 PolarHBondContact O-N 2.89Å; F72-C74 VanDerWaalsContact C-N 3.32Å; F72-C74 PolarHBondContact O-N 2.94Å; C74-L76 HydrophobicContact CB-CD2 4.48Å; C74-L76 PolarHBondContact O-N 2.65Å; C74-F93 HydrophobicContact CB-CZ 4.13Å; C74-G169 VanDerWaalsContact SG-CA 3.56Å
75D93.3Very high93.3Very high78 Ų7854.8 Ų54.842%0.41727%0.272SS..  trans-77.2108.7169-166.5-17000110N73 M77 E78N73-D75 PolarHBondContact O-N 2.92Å; D75-M77 VanDerWaalsContact C-N 3.33Å; D75-M77 WeakPolarHBondContact OD1-CB 3.4Å; D75-M77 PolarHBondContact OD1-N 3.39Å; D75-E78 HydrophobicContact CB-CG 4.07Å
76L93.2Very high93.4Very high40 Ų4057.3 Ų57.321%0.20929%0.29CS..SBendtrans-78.8-18.4179.2-58.9-178.5000112.5A69 C74 E78 A79 P82 L84 F93A69-L76 HydrophobicContact CB-CD1 4.41Å; A69-L76 HydrophobicContact CB-CD2 4.09Å; A69-L76 HydrophobicContact CB-CG 4.45Å; C74-L76 HydrophobicContact CB-CD2 4.48Å; C74-L76 PolarHBondContact O-N 2.65Å; L76-E78 VanDerWaalsContact C-N 3.25Å; L76-E78 PolarHBondContact O-N 2.85Å; L76-A79 PolarHBondContact O-N 3.41Å; L76-P82 WeakPolarHBondContact O-CB 3.34Å; L76-L84 HydrophobicContact CD1-CD1 4.09Å; L76-L84 HydrophobicContact CD1-CD2 4.11Å; L76-L84 HydrophobicContact CD1-CG 4.07Å; L76-L84 HydrophobicContact CD2-CD2 3.75Å; L76-F93 HydrophobicContact CD2-CE2 3.56Å; L76-F93 HydrophobicContact CD2-CZ 3.57Å
77M94.3Very high93.4Very high118 Ų11857.1 Ų57.158%0.58129%0.286SS*.SBendtrans-75.9-19.5-179.4-61.8-61.5102.500112.2D75 P82 R99D75-M77 VanDerWaalsContact C-N 3.33Å; D75-M77 WeakPolarHBondContact OD1-CB 3.4Å; D75-M77 PolarHBondContact OD1-N 3.39Å; M77-P82 HydrophobicContact CE-CB 4.17Å; M77-R99 WeakPolarHBondContact O-CD 2.89Å
78E95.1Very high93.5Very high22 Ų2256.7 Ų56.710%0.10328%0.281CS..SBendtrans-82.2-18.9173.5-56.9-163.8124.200113.4D75 L76 L98 R99 L102 R103 K304D75-E78 HydrophobicContact CB-CG 4.07Å; L76-E78 VanDerWaalsContact C-N 3.25Å; L76-E78 PolarHBondContact O-N 2.85Å; E78-L98 HydrophobicContact CB-CD2 4.05Å; E78-L98 CarbonylContact O-C 3.5Å; E78-L98 VanDerWaalsContact O-CA 3.31Å; E78-L98 WeakPolarHBondContact O-CA 3.11Å; E78-L98 WeakPolarHBondContact O-CD2 3.45Å; E78-R99 PolarHBondContact O-N 3.38Å; E78-L102 HydrophobicContact CB-CD1 4.35Å; E78-L102 HydrophobicContact CG-CD1 4.21Å; E78-R103 VanDerWaalsContact CD-NH2 3.28Å; E78-R103 IonicContact OE1-CZ 3.65Å; E78-R103 IonicContact OE1-NH1 3.42Å; E78-R103 PolarHBondContact OE1-NH1 2.82Å; E78-R103 IonicContact OE1-NH2 2.85Å; E78-R103 PolarHBondContact OE1-NH2 3.21Å; E78-R103 IonicContact OE2-CZ 3.69Å; E78-R103 IonicContact OE2-NH1 3.6Å; E78-R103 IonicContact OE2-NH2 2.69Å; E78-R103 PolarHBondContact OE2-NH2 2.71Å; E78-K304 WeakPolarHBondContact OE1-CE 3.31Å; E78-K304 IonicContact OE1-NZ 3.37Å; E78-K304 PolarHBondContact OE1-NZ 3.07Å
79A95.4Very high93.6Very high1 Ų157.4 Ų57.41%0.00829%0.286CS..BIsolated β-bridgetrans-69.6141.7178.900000110.8L76 M81L76-A79 PolarHBondContact O-N 3.41Å; A79-M81 PolarHBondContact O-N 2.82Å
80E95.1Very high93.4Very high123 Ų12357.1 Ų57.158%0.57528%0.283SS*.SBendtrans-60-34.5173.1-175.7179.2-164.200111.6P82 S97E80-P82 WeakPolarHBondContact O-CD 3.45Å; E80-S97 PolarHBondContact N-O 3Å; E80-S97 WeakPolarHBondContact OE2-CB 3.2Å
81M95.2Very high93.2Very high82 Ų8249.5 Ų49.540%0.40426%0.255SS..SBendtrans-117.590.1173.1-65.9-173.8-7300110.4A79 D83 Y87A79-M81 PolarHBondContact O-N 2.82Å; M81-D83 PolarHBondContact O-N 3.17Å; M81-Y87 HydrophobicContact CB-CE2 4.5Å; M81-Y87 HydrophobicContact CE-CE1 4.18Å; M81-Y87 VanDerWaalsContact O-CE2 3.28Å; M81-Y87 WeakPolarHBondContact O-CE2 3.4Å; M81-Y87 PolarHBondContact O-OH 3.35Å
82P93.2Very high93.3Very high57 Ų5750 Ų5037%0.3726%0.257SS..  trans-64.3-23-178.9-24.734.8000114.3L76 M77 E80 L84L76-P82 WeakPolarHBondContact O-CB 3.34Å; M77-P82 HydrophobicContact CE-CB 4.17Å; E80-P82 WeakPolarHBondContact O-CD 3.45Å; P82-L84 PolarHBondContact O-N 2.86Å
83D95.6Very high93.5Very high57 Ų5749.6 Ų49.631%0.30526%0.255SS..  trans-74.4111.4178.2-171.5-7.2000111.3M81 R85 S86M81-D83 PolarHBondContact O-N 3.17Å; D83-R85 PolarHBondContact O-N 3.34Å; D83-R85 WeakPolarHBondContact OD1-CB 3.44Å; D83-R85 WeakPolarHBondContact OD1-CG 3.14Å; D83-R85 IonicContact OD1-CZ 3.99Å; D83-R85 PolarHBondContact OD1-N 2.86Å; D83-R85 IonicContact OD1-NE 2.68Å; D83-R85 PolarHBondContact OD1-NE 3.44Å; D83-R85 IonicContact OD1-NH2 3.2Å; D83-R85 IonicContact OD2-CZ 3.56Å; D83-R85 IonicContact OD2-NE 3.87Å; D83-R85 PolarHBondContact OD2-NE 3.31Å; D83-R85 IonicContact OD2-NH2 3.52Å; D83-R85 PolarHBondContact OD2-NH2 2.89Å; D83-S86 VanDerWaalsContact O-CB 3.28Å; D83-S86 WeakPolarHBondContact O-CB 3.5Å; D83-S86 PolarHBondContact O-N 3.18Å; D83-S86 PolarHBondContact O-OG 3.27Å
84L95.2Very high93.4Very high12 Ų1243.6 Ų43.66%0.06322%0.223CC..G310 helixtrans-56.1-23.8177.6-66.2176.6000114L65 G66 L76 P82 S86 Y87 F93L65-L84 HydrophobicContact CB-CB 4.31Å; L65-L84 HydrophobicContact CB-CD1 4.28Å; L65-L84 HydrophobicContact CB-CD2 4.05Å; L65-L84 HydrophobicContact CB-CG 4.46Å; L65-L84 WeakPolarHBondContact CD1-O 3.11Å; G66-L84 VanDerWaalsContact CA-CD1 3.48Å; L76-L84 HydrophobicContact CD1-CD1 4.09Å; L76-L84 HydrophobicContact CD1-CD2 4.11Å; L76-L84 HydrophobicContact CD1-CG 4.07Å; L76-L84 HydrophobicContact CD2-CD2 3.75Å; P82-L84 PolarHBondContact O-N 2.86Å; L84-S86 PolarHBondContact O-N 3.1Å; L84-Y87 PolarHBondContact O-N 2.99Å; L84-F93 HydrophobicContact CD2-CD2 3.79Å; L84-F93 HydrophobicContact CD2-CE2 3.42Å; L84-F93 VanDerWaalsContact CD2-CE2 3.42Å; L84-F93 HydrophobicContact CD2-CZ 3.97Å
85R95.5Very high93.2Very high117 Ų11745.1 Ų45.144%0.44223%0.234SC..G310 helixtrans-68.1-20.8178.2-65.3173.2-68.2-179.74112.9L58 R61 R62 D83 Y87L58-R85 HydrophobicContact CD1-CB 4.2Å; R61-R85 VanDerWaalsContact CD-O 3.26Å; R61-R85 WeakPolarHBondContact CD-O 3.37Å; R61-R85 PolarHBondContact NH1-O 3.37Å; R62-R85 HydrophobicContact CB-CG 4.28Å; D83-R85 PolarHBondContact O-N 3.34Å; D83-R85 WeakPolarHBondContact OD1-CB 3.44Å; D83-R85 WeakPolarHBondContact OD1-CG 3.14Å; D83-R85 IonicContact OD1-CZ 3.99Å; D83-R85 PolarHBondContact OD1-N 2.86Å; D83-R85 IonicContact OD1-NE 2.68Å; D83-R85 PolarHBondContact OD1-NE 3.44Å; D83-R85 IonicContact OD1-NH2 3.2Å; D83-R85 IonicContact OD2-CZ 3.56Å; D83-R85 IonicContact OD2-NE 3.87Å; D83-R85 PolarHBondContact OD2-NE 3.31Å; D83-R85 IonicContact OD2-NH2 3.52Å; D83-R85 PolarHBondContact OD2-NH2 2.89Å; R85-Y87 PolarHBondContact O-N 3.3Å
86S95.4Very high93.2Very high53 Ų5341.7 Ų41.737%0.37122%0.215SC..G310 helixtrans-69.3-18.1177.5-57.20000113.2D83 L84D83-S86 VanDerWaalsContact O-CB 3.28Å; D83-S86 WeakPolarHBondContact O-CB 3.5Å; D83-S86 PolarHBondContact O-N 3.18Å; D83-S86 PolarHBondContact O-OG 3.27Å; L84-S86 PolarHBondContact O-N 3.1Å
87Y95.1Very high93.2Very high4 Ų442.7 Ų42.72%0.01623%0.225CC..  trans-98.4117178.5-54.4-79.2000110.6R61 M81 L84 R85 T89 Q92 F93 R96R61-Y87 VanDerWaalsContact CD-O 3.22Å; R61-Y87 WeakPolarHBondContact CD-O 3.27Å; M81-Y87 HydrophobicContact CB-CE2 4.5Å; M81-Y87 HydrophobicContact CE-CE1 4.18Å; M81-Y87 VanDerWaalsContact O-CE2 3.28Å; M81-Y87 WeakPolarHBondContact O-CE2 3.4Å; M81-Y87 PolarHBondContact O-OH 3.35Å; L84-Y87 PolarHBondContact O-N 2.99Å; R85-Y87 PolarHBondContact O-N 3.3Å; Y87-T89 VanDerWaalsContact C-N 3.31Å; Y87-Q92 HydrophobicContact CD1-CB 4.36Å; Y87-Q92 HydrophobicContact CD1-CG 3.98Å; Y87-F93 HydrophobicContact CD1-CB 4.28Å; Y87-F93 HydrophobicContact CD2-CB 4.29Å; Y87-F93 AromaticContact CD2-CD2 3.7Å; Y87-F93 HydrophobicContact CD2-CD2 3.7Å; Y87-F93 HydrophobicContact CD2-CG 4.46Å; Y87-F93 AromaticContact CE2-CD2 3.77Å; Y87-F93 HydrophobicContact CE2-CD2 3.77Å; Y87-F93 HydrophobicContact CE2-CE2 4.39Å; Y87-F93 HydrophobicContact CG-CB 3.91Å; Y87-F93 HydrophobicContact CG-CD2 4.16Å; Y87-R96 HydrophobicContact CE1-CB 3.82Å; Y87-R96 WeakPolarHBondContact OH-CB 3.18Å
88S94.5Very high93.3Very high28 Ų2837.9 Ų37.920%0.19620%0.202CC..SBendtrans-73-24.6-179.862.50000113.3E55 I56 Q92E55-S88 WeakPolarHBondContact CA-O 3.43Å; I56-S88 PolarHBondContact N-O 3.49Å; S88-Q92 PolarHBondContact OG-OE1 3.28Å; S88-Q92 VanDerWaalsContact OG-OE1 3.14Å
89T93.1Very high93.4Very high16 Ų1641.4 Ų41.410%0.09821%0.214CC..SBendtrans-138.6159.1-174.1680000111.2N52 S53 E55 Y87 Q91 Q92 F93N52-T89 VanDerWaalsContact O-CB 3.31Å; N52-T89 WeakPolarHBondContact O-CB 3.19Å; S53-T89 VanDerWaalsContact O-CG2 3.28Å; S53-T89 WeakPolarHBondContact O-CG2 3.27Å; E55-T89 HydrophobicContact CG-CG2 4.3Å; Y87-T89 VanDerWaalsContact C-N 3.31Å; T89-Q91 PolarHBondContact O-N 3.09Å; T89-Q92 PolarHBondContact O-N 3.3Å; T89-Q92 WeakPolarHBondContact OG1-CB 3.13Å; T89-Q92 PolarHBondContact OG1-N 2.96Å; T89-F93 PolarHBondContact O-N 3.21Å
90L90Very high93.3Very high1 Ų145.3 Ų45.31%0.00525%0.246CC..Hα-helixtrans-63.5-35.2172.4-17959.5000111.1T6 I10 N52 L65 Y68 Q92 F93 F94T6-L90 HydrophobicContact CG2-CB 4.12Å; T6-L90 HydrophobicContact CG2-CD2 4.29Å; I10-L90 HydrophobicContact CG1-CD2 4.08Å; N52-L90 HydrophobicContact CB-CB 4.24Å; N52-L90 PolarHBondContact O-N 2.9Å; L65-L90 HydrophobicContact CD2-CB 4.1Å; L65-L90 HydrophobicContact CD2-CD1 3.7Å; Y68-L90 HydrophobicContact CD1-CD1 4.2Å; Y68-L90 HydrophobicContact CD2-CD1 3.79Å; Y68-L90 HydrophobicContact CD2-CD2 4.06Å; Y68-L90 HydrophobicContact CE2-CD1 4.22Å; Y68-L90 HydrophobicContact CE2-CD2 4.29Å; Y68-L90 HydrophobicContact CG-CD1 3.76Å; L90-Q92 PolarHBondContact O-N 3.11Å; L90-F93 HydrophobicContact CD1-CD1 4.17Å; L90-F93 PolarHBondContact O-N 3.34Å; L90-F94 VanDerWaalsContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CB 3.28Å; L90-F94 PolarHBondContact O-N 3.12Å
91Q88.8Confident93.3Very high22 Ų2244.5 Ų44.510%0.10325%0.246CC..Hα-helixtrans-60.2-43.7176.3-175.559.466.800112.2N52 T89 F94 S95 K278N52-Q91 HydrophobicContact CB-CB 4.35Å; N52-Q91 WeakPolarHBondContact O-CB 3.39Å; N52-Q91 PolarHBondContact O-N 3.05Å; T89-Q91 PolarHBondContact O-N 3.09Å; Q91-F94 WeakPolarHBondContact O-CB 3.25Å; Q91-F94 PolarHBondContact O-N 3.23Å; Q91-S95 PolarHBondContact O-N 3.07Å; Q91-S95 PolarHBondContact O-OG 3.21Å; Q91-S95 VanDerWaalsContact O-OG 3.1Å; Q91-K278 VanDerWaalsContact NE2-CA 3.3Å; Q91-K278 VanDerWaalsContact NE2-CB 3.34Å; Q91-K278 PolarHBondContact NE2-O 3.23Å; Q91-K278 PolarHBondContact OE1-O 2.94Å
92Q90.5Very high93.3Very high72 Ų7243.6 Ų43.634%0.33624%0.242SC..Hα-helixtrans-67.2-39178.9-164.7-166.73.400111.7Y87 S88 T89 L90 F94 S95 R96Y87-Q92 HydrophobicContact CD1-CB 4.36Å; Y87-Q92 HydrophobicContact CD1-CG 3.98Å; S88-Q92 PolarHBondContact OG-OE1 3.28Å; S88-Q92 VanDerWaalsContact OG-OE1 3.14Å; T89-Q92 PolarHBondContact O-N 3.3Å; T89-Q92 WeakPolarHBondContact OG1-CB 3.13Å; T89-Q92 PolarHBondContact OG1-N 2.96Å; L90-Q92 PolarHBondContact O-N 3.11Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-S95 CarbonylContact O-C 3.53Å; Q92-S95 PolarHBondContact O-OG 2.82Å; Q92-R96 PolarHBondContact O-N 2.62Å
93F92.4Very high93.5Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-65.3-38.2173.5175.2-110.1000112L65 Y68 A69 C74 L76 L84 Y87 T89 L90 R96L65-F93 HydrophobicContact CD1-CB 4.23Å; L65-F93 HydrophobicContact CD2-CB 4.12Å; L65-F93 HydrophobicContact CD2-CD1 4.5Å; L65-F93 HydrophobicContact CD2-CG 4.46Å; Y68-F93 HydrophobicContact CD1-CD1 4.18Å; Y68-F93 AromaticContact CD1-CE1 3.75Å; Y68-F93 HydrophobicContact CD1-CE1 3.75Å; Y68-F93 HydrophobicContact CE1-CE1 4.24Å; A69-F93 HydrophobicContact CB-CE1 4.48Å; A69-F93 HydrophobicContact CB-CZ 4.18Å; C74-F93 HydrophobicContact CB-CZ 4.13Å; L76-F93 HydrophobicContact CD2-CE2 3.56Å; L76-F93 HydrophobicContact CD2-CZ 3.57Å; L84-F93 HydrophobicContact CD2-CD2 3.79Å; L84-F93 HydrophobicContact CD2-CE2 3.42Å; L84-F93 VanDerWaalsContact CD2-CE2 3.42Å; L84-F93 HydrophobicContact CD2-CZ 3.97Å; Y87-F93 HydrophobicContact CD1-CB 4.28Å; Y87-F93 HydrophobicContact CD2-CB 4.29Å; Y87-F93 AromaticContact CD2-CD2 3.7Å; Y87-F93 HydrophobicContact CD2-CD2 3.7Å; Y87-F93 HydrophobicContact CD2-CG 4.46Å; Y87-F93 AromaticContact CE2-CD2 3.77Å; Y87-F93 HydrophobicContact CE2-CD2 3.77Å; Y87-F93 HydrophobicContact CE2-CE2 4.39Å; Y87-F93 HydrophobicContact CG-CB 3.91Å; Y87-F93 HydrophobicContact CG-CD2 4.16Å; T89-F93 PolarHBondContact O-N 3.21Å; L90-F93 HydrophobicContact CD1-CD1 4.17Å; L90-F93 PolarHBondContact O-N 3.34Å; F93-R96 VanDerWaalsContact O-CB 3.23Å; F93-R96 WeakPolarHBondContact O-CB 3.47Å; F93-R96 WeakPolarHBondContact O-CD 3.48Å; F93-R96 VanDerWaalsContact O-CG 3.27Å; F93-R96 WeakPolarHBondContact O-CG 3.42Å; F93-R96 PolarHBondContact O-N 3.25Å
94F88.9Confident93.5Very high0 Ų043.4 Ų43.40%024%0.243CC..Hα-helixtrans-64.6-42.3178.5-169.4-86.2000112Y68 L90 Q91 Q92 R96 P168 H172 K278 F279Y68-F94 WeakPolarHBondContact OH-CD2 3.4Å; Y68-F94 VanDerWaalsContact OH-CE2 3.29Å; Y68-F94 WeakPolarHBondContact OH-CE2 3.28Å; L90-F94 VanDerWaalsContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CB 3.28Å; L90-F94 PolarHBondContact O-N 3.12Å; Q91-F94 WeakPolarHBondContact O-CB 3.25Å; Q91-F94 PolarHBondContact O-N 3.23Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.04Å; F94-P168 WeakPolarHBondContact CE2-O 3.46Å; F94-H172 HydrophobicContact CD1-CB 4.15Å; F94-H172 HydrophobicContact CE1-CB 3.45Å; F94-H172 VanDerWaalsContact CE1-CB 3.45Å; F94-H172 AromaticContact CE1-CD2 3.42Å; F94-H172 VanDerWaalsContact CE1-CD2 3.42Å; F94-H172 WeakPolarHBondContact CE1-CD2 3.39Å; F94-H172 AromaticContact CE1-CE1 3.75Å; F94-H172 AromaticContact CE1-CG 3.07Å; F94-H172 AromaticContact CE1-ND1 3.32Å; F94-H172 VanDerWaalsContact CE1-ND1 3.32Å; F94-H172 WeakPolarHBondContact CE1-ND1 3.18Å; F94-H172 AromaticContact CE1-NE2 3.82Å; F94-H172 AromaticContact CE2-CE1 3.6Å; F94-H172 AromaticContact CE2-ND1 3.81Å; F94-H172 AromaticContact CE2-NE2 3.99Å; F94-H172 HydrophobicContact CZ-CB 4.16Å; F94-H172 AromaticContact CZ-CD2 3.27Å; F94-H172 WeakPolarHBondContact CZ-CD2 3.38Å; F94-H172 AromaticContact CZ-CE1 3.07Å; F94-H172 WeakPolarHBondContact CZ-CE1 3.4Å; F94-H172 AromaticContact CZ-CG 3.27Å; F94-H172 AromaticContact CZ-ND1 3.15Å; F94-H172 WeakPolarHBondContact CZ-ND1 3.17Å; F94-H172 AromaticContact CZ-NE2 3.14Å; F94-H172 WeakPolarHBondContact CZ-NE2 3.45Å; F94-K278 WeakPolarHBondContact CD1-O 3.36Å; F94-K278 WeakPolarHBondContact CE1-O 3.27Å; F94-F279 HydrophobicContact CB-CE2 4.22Å; F94-F279 HydrophobicContact CD1-CD2 4.24Å; F94-F279 HydrophobicContact CD2-CD1 4.26Å; F94-F279 AromaticContact CD2-CD2 3.86Å; F94-F279 HydrophobicContact CD2-CD2 3.86Å; F94-F279 AromaticContact CD2-CE1 3.93Å; F94-F279 HydrophobicContact CD2-CE1 3.93Å; F94-F279 AromaticContact CD2-CE2 3.47Å; F94-F279 HydrophobicContact CD2-CE2 3.47Å; F94-F279 VanDerWaalsContact CD2-CE2 3.47Å; F94-F279 HydrophobicContact CD2-CG 4.22Å; F94-F279 AromaticContact CD2-CZ 3.5Å; F94-F279 HydrophobicContact CD2-CZ 3.5Å; F94-F279 HydrophobicContact CE1-CB 4.33Å; F94-F279 HydrophobicContact CE1-CD2 4.37Å; F94-F279 HydrophobicContact CE1-CG 4.26Å; F94-F279 AromaticContact CE2-CD1 3.64Å; F94-F279 HydrophobicContact CE2-CD1 3.64Å; F94-F279 AromaticContact CE2-CD2 3.98Å; F94-F279 HydrophobicContact CE2-CD2 3.98Å; F94-F279 AromaticContact CE2-CE1 3.56Å; F94-F279 HydrophobicContact CE2-CE1 3.56Å; F94-F279 AromaticContact CE2-CE2 3.88Å; F94-F279 HydrophobicContact CE2-CE2 3.88Å; F94-F279 AromaticContact CE2-CG 3.84Å; F94-F279 HydrophobicContact CE2-CG 3.84Å; F94-F279 AromaticContact CE2-CZ 3.67Å; F94-F279 HydrophobicContact CE2-CZ 3.67Å; F94-F279 AromaticContact CG-CD2 3.97Å; F94-F279 HydrophobicContact CG-CD2 3.97Å; F94-F279 AromaticContact CG-CE2 3.82Å; F94-F279 HydrophobicContact CG-CE2 3.82Å; F94-F279 HydrophobicContact CG-CZ 4.31Å; F94-F279 HydrophobicContact CZ-CB 4.15Å; F94-F279 AromaticContact CZ-CD1 3.91Å; F94-F279 HydrophobicContact CZ-CD1 3.91Å; F94-F279 HydrophobicContact CZ-CD2 4.2Å; F94-F279 HydrophobicContact CZ-CE1 4.3Å; F94-F279 AromaticContact CZ-CG 3.83Å; F94-F279 HydrophobicContact CZ-CG 3.83Å
95S88.2Confident93.7Very high44 Ų4445.8 Ų45.831%0.30826%0.255SS..THydrogen-bonded Turntrans-89.426.717666.10000113.3Q91 Q92Q91-S95 PolarHBondContact O-N 3.07Å; Q91-S95 PolarHBondContact O-OG 3.21Å; Q91-S95 VanDerWaalsContact O-OG 3.1Å; Q92-S95 CarbonylContact O-C 3.53Å; Q92-S95 PolarHBondContact O-OG 2.82Å
96R93.1Very high93.8Very high7 Ų741.5 Ų41.53%0.02624%0.243CC..  trans-56141.5-179.162.7-167.4-175.7-76-0.7112Y87 Q92 F93 F94 G169 Y171Y87-R96 HydrophobicContact CE1-CB 3.82Å; Y87-R96 WeakPolarHBondContact OH-CB 3.18Å; Q92-R96 PolarHBondContact O-N 2.62Å; F93-R96 VanDerWaalsContact O-CB 3.23Å; F93-R96 WeakPolarHBondContact O-CB 3.47Å; F93-R96 WeakPolarHBondContact O-CD 3.48Å; F93-R96 VanDerWaalsContact O-CG 3.27Å; F93-R96 WeakPolarHBondContact O-CG 3.42Å; F93-R96 PolarHBondContact O-N 3.25Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.04Å; R96-G169 PolarHBondContact NH2-O 3.32Å; R96-Y171 WeakPolarHBondContact O-CD2 3.33Å; R96-Y171 WeakPolarHBondContact O-CE2 3.4Å
97S93.8Very high93.8Very high60 Ų6046.7 Ų46.742%0.4227%0.267SS..  trans-70.2150.5165.5-62.20000110.9E80E80-S97 PolarHBondContact N-O 3Å; E80-S97 WeakPolarHBondContact OE2-CB 3.2Å
98L96Very high93.8Very high17 Ų1748.9 Ų48.99%0.08928%0.279CS..BIsolated β-bridgetrans-107.1156.3176.1-63.1175.5000110.7E78 A100 R103 Y171 Y305E78-L98 HydrophobicContact CB-CD2 4.05Å; E78-L98 CarbonylContact O-C 3.5Å; E78-L98 VanDerWaalsContact O-CA 3.31Å; E78-L98 WeakPolarHBondContact O-CA 3.11Å; E78-L98 WeakPolarHBondContact O-CD2 3.45Å; L98-A100 PolarHBondContact O-N 2.87Å; L98-R103 HydrophobicContact CD1-CG 4.49Å; L98-R103 VanDerWaalsContact CD1-NH2 3.29Å; L98-Y171 HydrophobicContact CD1-CD1 3.61Å; L98-Y171 HydrophobicContact CD1-CD2 3.65Å; L98-Y171 HydrophobicContact CD1-CE1 4.16Å; L98-Y171 HydrophobicContact CD1-CE2 4.19Å; L98-Y171 HydrophobicContact CD1-CG 3.3Å; L98-Y171 HydrophobicContact CD2-CD2 4.35Å; L98-Y171 HydrophobicContact CG-CD2 3.67Å; L98-Y171 HydrophobicContact CG-CE2 4.11Å; L98-Y171 HydrophobicContact CG-CG 3.88Å; L98-Y305 HydrophobicContact CD1-CD1 4.47Å; L98-Y305 HydrophobicContact CD1-CE1 3.92Å
99R96.5Very high93.8Very high97 Ų9749.5 Ų49.537%0.36628%0.282SS..  trans-63.2120.9170.4-81.217961.5179.52.5111.3M77 E78 D101 L102M77-R99 WeakPolarHBondContact O-CD 2.89Å; E78-R99 PolarHBondContact O-N 3.38Å; R99-D101 VanDerWaalsContact C-N 3.29Å; R99-D101 WeakPolarHBondContact CB-OD1 3.34Å; R99-D101 IonicContact CZ-OD1 3.55Å; R99-D101 IonicContact CZ-OD2 2.65Å; R99-D101 IonicContact NE-OD1 3.77Å; R99-D101 PolarHBondContact NE-OD1 2.88Å; R99-D101 IonicContact NE-OD2 3.52Å; R99-D101 IonicContact NH2-OD1 3.1Å; R99-D101 IonicContact NH2-OD2 2.85Å; R99-D101 PolarHBondContact NH2-OD2 3.35Å; R99-D101 PolarHBondContact O-N 3.48Å; R99-L102 HydrophobicContact CB-CB 4.35Å; R99-L102 HydrophobicContact CB-CD1 3.96Å; R99-L102 HydrophobicContact CB-CG 4.06Å; R99-L102 PolarHBondContact O-N 3.06Å
100A93.7Very high94Very high82 Ų8248.8 Ų48.868%0.67828%0.277SS*.G310 helixtrans-63.5-33.3-177.800000113L98 L102 R103L98-A100 PolarHBondContact O-N 2.87Å; A100-L102 PolarHBondContact O-N 2.86Å; A100-R103 PolarHBondContact O-N 3.18Å; A100-R103 VanDerWaalsContact O-N 3.17Å
101D95.3Very high94.4Very high107 Ų10748.7 Ų48.757%0.57228%0.277SS*.G310 helixtrans-66.5-21.2178.762.3-57.9000113.2R99 R103R99-D101 VanDerWaalsContact C-N 3.29Å; R99-D101 WeakPolarHBondContact CB-OD1 3.34Å; R99-D101 IonicContact CZ-OD1 3.55Å; R99-D101 IonicContact CZ-OD2 2.65Å; R99-D101 IonicContact NE-OD1 3.77Å; R99-D101 PolarHBondContact NE-OD1 2.88Å; R99-D101 IonicContact NE-OD2 3.52Å; R99-D101 IonicContact NH2-OD1 3.1Å; R99-D101 IonicContact NH2-OD2 2.85Å; R99-D101 PolarHBondContact NH2-OD2 3.35Å; R99-D101 PolarHBondContact O-N 3.48Å; D101-R103 VanDerWaalsContact C-N 3.34Å
102L95.5Very high94.9Very high62 Ų6247.7 Ų47.733%0.32527%0.272SS..G310 helixtrans-93.78.5178.1-59.7-179.5000113.3E78 R99 A100 P104E78-L102 HydrophobicContact CB-CD1 4.35Å; E78-L102 HydrophobicContact CG-CD1 4.21Å; R99-L102 HydrophobicContact CB-CB 4.35Å; R99-L102 HydrophobicContact CB-CD1 3.96Å; R99-L102 HydrophobicContact CB-CG 4.06Å; R99-L102 PolarHBondContact O-N 3.06Å; A100-L102 PolarHBondContact O-N 2.86Å; L102-P104 VanDerWaalsContact C-CD 3.44Å
103R96.1Very high95.3Very high9 Ų944.2 Ų44.23%0.03426%0.256CS..  trans-133.557.8-177.1-64.4-67.5-173.5-77.70.9111.9E78 L98 A100 D101 I105 D115 Y305E78-R103 VanDerWaalsContact CD-NH2 3.28Å; E78-R103 IonicContact OE1-CZ 3.65Å; E78-R103 IonicContact OE1-NH1 3.42Å; E78-R103 PolarHBondContact OE1-NH1 2.82Å; E78-R103 IonicContact OE1-NH2 2.85Å; E78-R103 PolarHBondContact OE1-NH2 3.21Å; E78-R103 IonicContact OE2-CZ 3.69Å; E78-R103 IonicContact OE2-NH1 3.6Å; E78-R103 IonicContact OE2-NH2 2.69Å; E78-R103 PolarHBondContact OE2-NH2 2.71Å; L98-R103 HydrophobicContact CD1-CG 4.49Å; L98-R103 VanDerWaalsContact CD1-NH2 3.29Å; A100-R103 PolarHBondContact O-N 3.18Å; A100-R103 VanDerWaalsContact O-N 3.17Å; D101-R103 VanDerWaalsContact C-N 3.34Å; R103-I105 PolarHBondContact O-N 3.43Å; R103-D115 IonicContact CZ-OD2 3.38Å; R103-D115 IonicContact NE-OD1 3.17Å; R103-D115 IonicContact NE-OD2 3.94Å; R103-D115 IonicContact NH2-OD2 2.75Å; R103-D115 PolarHBondContact NH2-OD2 3.14Å; R103-Y305 HydrophobicContact CB-CE1 3.86Å; R103-Y305 HydrophobicContact CB-CE2 3.82Å; R103-Y305 WeakPolarHBondContact CB-OH 3.35Å; R103-Y305 HydrophobicContact CG-CD1 4.2Å; R103-Y305 HydrophobicContact CG-CE1 3.37Å; R103-Y305 HydrophobicContact CG-CE2 4.29Å; R103-Y305 VanDerWaalsContact CG-CZ 3.42Å; R103-Y305 WeakPolarHBondContact CG-OH 3.48Å
104P97Very high95.5Very high102 Ų10244.2 Ų44.266%0.66226%0.256SS*.PPolyproline II helixtrans-63.2133.617628.7-34.8000110.4L102L102-P104 VanDerWaalsContact C-CD 3.44Å
105I98.1Very high95.9Very high61 Ų6144.6 Ų44.631%0.31326%0.258SS..PPolyproline II helixtrans-86.6120.8177.2-51.5-54.5000108.8R103 V111 K270 Y305R103-I105 PolarHBondContact O-N 3.43Å; I105-V111 HydrophobicContact CG2-CG2 4.37Å; I105-K270 HydrophobicContact CG2-CD 4.25Å; I105-K270 HydrophobicContact CG2-CG 3.87Å; I105-Y305 HydrophobicContact CD1-CD2 4.19Å; I105-Y305 HydrophobicContact CD1-CE2 4.03Å
106S97.5Very high96.2Very high27 Ų2742.6 Ų42.619%0.18925%0.245CC..PPolyproline II helixtrans-63.1149178.8170.10000112.5L108 K270 G306S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 PolarHBondContact OG-N 3.19Å; S106-K270 PolarHBondContact O-NZ 2.73Å; S106-G306 WeakPolarHBondContact CB-O 3.37Å; S106-G306 PolarHBondContact N-O 3.39Å
107N95.7Very high96.3Very high162 Ų16242.6 Ų42.687%0.86625%0.245SC*.SBendtrans-73.8-10.3175.8-69.6-27.5000113.6K270N107-K270 PolarHBondContact O-NZ 3.16Å
108L95Very high96.3Very high51 Ų5139.8 Ų39.827%0.26723%0.225SC..SBendtrans-62.4153.2175.5-68.2-167000112.4S106 V110 K270 P308 L311S106-L108 PolarHBondContact O-N 3.47Å; S106-L108 PolarHBondContact OG-N 3.19Å; L108-V110 VanDerWaalsContact C-N 3.31Å; L108-V110 PolarHBondContact O-N 2.93Å; L108-K270 PolarHBondContact O-NZ 3.38Å; L108-P308 HydrophobicContact CD1-CB 3.66Å; L108-P308 HydrophobicContact CD1-CG 4.23Å; L108-L311 HydrophobicContact CD1-CB 4.2Å; L108-L311 HydrophobicContact CD2-CB 4.12Å
109P94.7Very high96.1Very high41 Ų4139.4 Ų39.427%0.26622%0.223SC..SBendtrans-62.9-36.4-174.423.5-34.3000112.9T178 W219 I312P109-T178 PolarHBondContact O-OG1 3.12Å; P109-W219 HydrophobicContact CB-CZ3 4.38Å; P109-I312 HydrophobicContact CG-CD1 4.34Å; P109-I312 HydrophobicContact CG-CG1 4.28Å
110V97.7Very high95.9Very high0 Ų037.8 Ų37.80%022%0.217CC..EExtended strand (participates in β ladder)trans-122.3125.1178.3-169.30000110L108 P177 W219 F293 L309 G310L108-V110 VanDerWaalsContact C-N 3.31Å; L108-V110 PolarHBondContact O-N 2.93Å; V110-P177 CarbonylContact C-O 3.56Å; V110-P177 WeakPolarHBondContact CA-O 3.42Å; V110-P177 HydrophobicContact CG1-CB 4.17Å; V110-W219 HydrophobicContact CG2-CE3 4.31Å; V110-W219 HydrophobicContact CG2-CH2 3.51Å; V110-W219 HydrophobicContact CG2-CZ3 3.34Å; V110-F293 HydrophobicContact CB-CE2 4.33Å; V110-F293 HydrophobicContact CG2-CE2 3.87Å; V110-F293 HydrophobicContact CG2-CZ 4.38Å; V110-L309 HydrophobicContact CG1-CB 4.27Å; V110-L309 HydrophobicContact CG1-CD2 3.92Å; V110-L309 WeakPolarHBondContact O-CB 3.47Å; V110-L309 PolarHBondContact O-N 3.27Å; V110-G310 PolarHBondContact O-N 3.09Å; V110-G310 VanDerWaalsContact O-N 3.16Å
111V98.5Very high96Very high0 Ų034.6 Ų34.60%019%0.19CC..EExtended strand (participates in β ladder)trans-114.1164.6177.1-61.30000111.6I105 P177 K270 G306 E307I105-V111 HydrophobicContact CG2-CG2 4.37Å; V111-P177 WeakPolarHBondContact CG2-O 3.37Å; V111-P177 PolarHBondContact N-O 3.06Å; V111-P177 WeakPolarHBondContact O-CA 3.32Å; V111-P177 WeakPolarHBondContact O-CB 3.26Å; V111-K270 HydrophobicContact CG1-CD 3.94Å; V111-K270 HydrophobicContact CG1-CG 4.47Å; V111-K270 HydrophobicContact CG2-CD 4Å; V111-K270 HydrophobicContact CG2-CG 3.64Å; V111-G306 WeakPolarHBondContact CG1-O 3.47Å; V111-E307 CarbonylContact C-O 3.42Å; V111-E307 WeakPolarHBondContact CA-O 3.26Å; V111-E307 VanDerWaalsContact CB-O 3.31Å; V111-E307 WeakPolarHBondContact CB-O 3.38Å
112S98.4Very high95.9Very high0 Ų029.8 Ų29.80%017%0.166CC..  trans-61.7132.6176.9179.30000110.1A114 I303 K304 Y305 G306 E307S112-A114 VanDerWaalsContact C-N 3.35Å; S112-A114 PolarHBondContact OG-N 2.78Å; S112-A114 PolarHBondContact OG-O 2.73Å; S112-I303 WeakPolarHBondContact OG-CD1 3.4Å; S112-K304 WeakPolarHBondContact CB-O 3.35Å; S112-Y305 WeakPolarHBondContact O-CA 3.44Å; S112-G306 PolarHBondContact O-N 2.88Å; S112-E307 PolarHBondContact N-O 2.8Å
113P98.3Very high95.8Very high0 Ų029.8 Ų29.80%017%0.169CC..SBendtrans-80.7-15.4178.233.9-36.4000112.8V164 F174 H175 P177 L226 I283 L285P113-V164 HydrophobicContact CG-CG2 4.42Å; P113-F174 CarbonylContact O-C 3.54Å; P113-F174 VanDerWaalsContact O-CA 3.27Å; P113-F174 WeakPolarHBondContact O-CA 3.48Å; P113-H175 WeakPolarHBondContact CA-O 3.45Å; P113-H175 WeakPolarHBondContact CB-O 3.35Å; P113-H175 PolarHBondContact O-N 2.78Å; P113-P177 HydrophobicContact CB-CB 4.32Å; P113-L226 HydrophobicContact CB-CD1 4Å; P113-I283 HydrophobicContact CB-CG2 4.08Å; P113-I283 HydrophobicContact CG-CB 4.27Å; P113-I283 HydrophobicContact CG-CG2 3.61Å; P113-L285 HydrophobicContact CB-CD2 4.43Å; P113-L285 HydrophobicContact CG-CD1 4.03Å; P113-L285 HydrophobicContact CG-CD2 4.2Å; P113-L285 HydrophobicContact CG-CG 4.25Å
114A97.4Very high95.5Very high0 Ų030.5 Ų30.50%017%0.174CC..BIsolated β-bridgetrans-155.9165.1-172.100000111.8S112 L166 I283 K304 Y305S112-A114 VanDerWaalsContact C-N 3.35Å; S112-A114 PolarHBondContact OG-N 2.78Å; S112-A114 PolarHBondContact OG-O 2.73Å; A114-L166 HydrophobicContact CB-CD1 4.22Å; A114-L166 HydrophobicContact CB-CD2 3.97Å; A114-L166 HydrophobicContact CB-CG 4.21Å; A114-I283 HydrophobicContact CB-CG1 4.22Å; A114-K304 CarbonylContact O-C 3.51Å; A114-Y305 PolarHBondContact O-N 3.14Å
115D96.6Very high94.9Very high8 Ų832.4 Ų32.44%0.04317%0.174CC..SBendtrans-79.8133.7166.1-67.612.5000109R103 L166 D170 Y171 I303 K304 Y305R103-D115 IonicContact CZ-OD2 3.38Å; R103-D115 IonicContact NE-OD1 3.17Å; R103-D115 IonicContact NE-OD2 3.94Å; R103-D115 IonicContact NH2-OD2 2.75Å; R103-D115 PolarHBondContact NH2-OD2 3.14Å; D115-L166 WeakPolarHBondContact O-CG 3.44Å; D115-D170 HydrophobicContact CB-CB 4.32Å; D115-Y171 WeakPolarHBondContact OD2-CB 2.82Å; D115-I303 CarbonylContact C-O 3.56Å; D115-I303 WeakPolarHBondContact CA-O 3.31Å; D115-K304 VanDerWaalsContact OD1-CA 3.26Å; D115-K304 WeakPolarHBondContact OD1-CA 3.38Å; D115-Y305 WeakPolarHBondContact OD1-CD1 3.38Å; D115-Y305 PolarHBondContact OD1-N 3.46Å
116G95.3Very high94.1Very high2 Ų233.4 Ų33.42%0.02120%0.199CC..EExtended strand (participates in β ladder)trans163.6-155179.300000114.6Y165 R302 I303G116-Y165 CarbonylContact C-O 3.57Å; G116-Y165 WeakPolarHBondContact CA-O 3.37Å; G116-R302 CarbonylContact O-C 3.55Å; G116-R302 VanDerWaalsContact O-CA 3.27Å; G116-R302 WeakPolarHBondContact O-CA 3.36Å; G116-I303 PolarHBondContact N-O 3.11Å; G116-I303 PolarHBondContact O-N 3.23Å
117V94.8Very high93.4Very high7 Ų734.5 Ų34.54%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-119.6129.7178.2179.70000109.8Q119 Y165 N301 R302V117-Q119 PolarHBondContact O-N 3.33Å; V117-Q119 VanDerWaalsContact O-N 3.15Å; V117-Y165 PolarHBondContact N-O 2.84Å; V117-Y165 PolarHBondContact O-N 3.37Å; V117-N301 WeakPolarHBondContact CA-O 3.36Å; V117-R302 HydrophobicContact CG2-CG 3.73Å
118V95Very high92.9Very high0 Ų028.5 Ų28.50%019%0.185CC..EExtended strand (participates in β ladder)trans-64.2114.2170.7-177.80000108.5C121 I163 V297 P299 G300 N301 I303V118-C121 HydrophobicContact CG1-CB 4.07Å; V118-I163 CarbonylContact C-O 3.54Å; V118-V297 HydrophobicContact CG1-CG2 4.48Å; V118-V297 HydrophobicContact CG2-CB 4.15Å; V118-V297 HydrophobicContact CG2-CG2 3.92Å; V118-P299 CarbonylContact O-C 3.45Å; V118-P299 WeakPolarHBondContact O-CA 3.46Å; V118-G300 PolarHBondContact O-N 3.36Å; V118-N301 PolarHBondContact N-O 3.33Å; V118-I303 HydrophobicContact CG2-CD1 3.64Å; V118-I303 HydrophobicContact CG2-CG1 4.35Å; V118-I303 HydrophobicContact CG2-CG2 4.23Å
119Q91.6Very high92.4Very high10 Ų1026 Ų265%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-86.2-34.3173.2-67.4-162-9.700111.7V117 V132 I163 Y165 V195 Y207V117-Q119 PolarHBondContact O-N 3.33Å; V117-Q119 VanDerWaalsContact O-N 3.15Å; Q119-V132 HydrophobicContact CB-CG2 3.9Å; Q119-I163 HydrophobicContact CB-CB 4.34Å; Q119-I163 HydrophobicContact CB-CG2 4.11Å; Q119-I163 PolarHBondContact N-O 2.78Å; Q119-Y165 VanDerWaalsContact NE2-CG 3.27Å; Q119-V195 PolarHBondContact NE2-O 2.93Å; Q119-Y207 PolarHBondContact OE1-OH 2.87Å
120W92.5Very high92Very high62 Ų6225.2 Ų25.224%0.23517%0.166CC..EExtended strand (participates in β ladder)trans-152.5146.1177.6179.3-100000110.4N130 Q131 S161 C162 I163W120-N130 HydrophobicContact CD2-CB 3.71Å; W120-N130 HydrophobicContact CE3-CB 4.39Å; W120-N130 HydrophobicContact CG-CB 4.1Å; W120-N130 HydrophobicContact CH2-CB 4.14Å; W120-N130 HydrophobicContact CZ2-CB 3.42Å; W120-N130 VanDerWaalsContact CZ2-CB 3.42Å; W120-N130 VanDerWaalsContact CZ2-CG 3.49Å; W120-N130 VanDerWaalsContact NE1-CB 3.31Å; W120-Q131 WeakPolarHBondContact CB-O 3.41Å; W120-S161 PolarHBondContact NE1-OG 2.77Å; W120-C162 CarbonylContact O-C 3.58Å; W120-C162 VanDerWaalsContact O-CA 3.31Å; W120-C162 WeakPolarHBondContact O-CA 3.14Å; W120-I163 HydrophobicContact CB-CB 4.26Å; W120-I163 HydrophobicContact CB-CD1 4.07Å; W120-I163 HydrophobicContact CB-CG1 4.28Å; W120-I163 PolarHBondContact N-O 3.43Å; W120-I163 PolarHBondContact O-N 2.82Å
121C94.9Very high91.2Very high16 Ų1625.3 Ų25.311%0.10817%0.166CC..EExtended strand (participates in β ladder)trans-153.2135.216457.70000110V118 S161 C162 F295 V297V118-C121 HydrophobicContact CG1-CB 4.07Å; C121-S161 VanDerWaalsContact CA-O 3.27Å; C121-S161 WeakPolarHBondContact CA-O 3.23Å; C121-C162 HydrophobicContact CB-CB 4.31Å; C121-F295 HydrophobicContact CB-CD1 3.79Å; C121-F295 HydrophobicContact CB-CD2 3.89Å; C121-F295 HydrophobicContact CB-CE1 3.9Å; C121-F295 HydrophobicContact CB-CE2 3.99Å; C121-F295 HydrophobicContact CB-CG 3.79Å; C121-F295 HydrophobicContact CB-CZ 3.99Å; C121-V297 PolarHBondContact SG-O 2.83Å; C121-V297 VanDerWaalsContact SG-O 3.36Å
122G94.4Very high90Very high6 Ų626.1 Ų26.16%0.06217%0.171CC..EExtended strand (participates in β ladder)trans167.4177.5178.800000113.6F160 S161G122-F160 WeakPolarHBondContact O-CA 3.39Å; G122-S161 PolarHBondContact N-O 3.41Å; G122-S161 PolarHBondContact O-N 2.99Å
123P92.4Very high88.7Confident62 Ų6231.3 Ų31.340%0.40319%0.194SC..EExtended strand (participates in β ladder)trans-62.6154.1170.729.2-34.5000111.1L159 F160P123-L159 CarbonylContact C-O 3.53Å; P123-L159 WeakPolarHBondContact CA-O 3.28Å; P123-F160 HydrophobicContact CB-CD1 4.27Å; P123-F160 HydrophobicContact CB-CE1 4.16Å
124L89.9Confident87.4Confident24 Ų2434.4 Ų34.413%0.12623%0.225CC..  trans-84.5137.8164.8-83.175.2000109.1C128 L129 L139 L159 V286L124-C128 WeakPolarHBondContact CG-O 3.22Å; L124-L129 HydrophobicContact CD1-CD2 4.17Å; L124-L129 HydrophobicContact CD2-CD2 3.85Å; L124-L129 HydrophobicContact CD2-CG 4.41Å; L124-L129 HydrophobicContact CG-CD2 4.09Å; L124-L139 HydrophobicContact CD2-CD1 4.07Å; L124-L139 HydrophobicContact CD2-CD2 3.85Å; L124-L139 HydrophobicContact CD2-CG 4.4Å; L124-L159 HydrophobicContact CB-CB 4.09Å; L124-L159 HydrophobicContact CD1-CB 4.02Å; L124-L159 HydrophobicContact CD2-CB 4.17Å; L124-L159 HydrophobicContact CD2-CD1 4.31Å; L124-L159 HydrophobicContact CG-CB 4.33Å; L124-L159 PolarHBondContact N-O 3.13Å; L124-V286 HydrophobicContact CD1-CG1 4.21Å; L124-V286 HydrophobicContact CD2-CG1 4.15Å
125E84.6Confident86.3Confident141 Ų14135 Ų3566%0.65923%0.228SC*.BIsolated β-bridgetrans-119.6134.7176.3-66.1179.7-173.600109.1G127 C128E125-G127 VanDerWaalsContact C-N 3.28Å; E125-G127 PolarHBondContact O-N 2.95Å; E125-C128 PolarHBondContact O-N 3.45Å; E125-C128 VanDerWaalsContact O-N 3.08Å
126G81.5Confident85.7Confident83 Ų8338.1 Ų38.186%0.85625%0.247SC*.THydrogen-bonded Turntrans58.332.2173.400000115.3C128G126-C128 PolarHBondContact O-N 3.44Å
127G82.5Confident85.2Confident50 Ų5038.3 Ų38.352%0.51525%0.248SC..THydrogen-bonded Turntrans67.815.3-179.600000114.3E125 L139E125-G127 VanDerWaalsContact C-N 3.28Å; E125-G127 PolarHBondContact O-N 2.95Å; G127-L139 VanDerWaalsContact O-CB 3.24Å; G127-L139 WeakPolarHBondContact O-CB 3.49Å; G127-L139 PolarHBondContact O-N 2.84Å
128C84.4Confident84.9Confident35 Ų3540.8 Ų40.824%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-107140.8-179.4-67.40000111.4L124 E125 G126 Y137L124-C128 WeakPolarHBondContact CG-O 3.22Å; E125-C128 PolarHBondContact O-N 3.45Å; E125-C128 VanDerWaalsContact O-N 3.08Å; G126-C128 PolarHBondContact O-N 3.44Å; C128-Y137 CarbonylContact C-O 3.53Å; C128-Y137 WeakPolarHBondContact CA-O 3.41Å
129L86Confident84.7Confident0 Ų041.1 Ų41.10%027%0.266CS..EExtended strand (participates in β ladder)trans-80.2139.7163-76.6173.2000109.8L124 T136 Y137 L139 F142 V286L124-L129 HydrophobicContact CD1-CD2 4.17Å; L124-L129 HydrophobicContact CD2-CD2 3.85Å; L124-L129 HydrophobicContact CD2-CG 4.41Å; L124-L129 HydrophobicContact CG-CD2 4.09Å; L129-T136 CarbonylContact O-C 3.52Å; L129-T136 WeakPolarHBondContact O-CA 3.29Å; L129-T136 WeakPolarHBondContact O-CB 3.47Å; L129-Y137 HydrophobicContact CB-CD2 4.26Å; L129-Y137 HydrophobicContact CB-CE1 4.12Å; L129-Y137 HydrophobicContact CB-CE2 3.79Å; L129-Y137 HydrophobicContact CD1-CE2 3.67Å; L129-Y137 HydrophobicContact CG-CE2 4.34Å; L129-Y137 PolarHBondContact N-O 3.48Å; L129-Y137 PolarHBondContact O-N 2.79Å; L129-L139 HydrophobicContact CD1-CD1 3.62Å; L129-L139 HydrophobicContact CD2-CD1 3.89Å; L129-L139 HydrophobicContact CG-CD1 3.56Å; L129-F142 HydrophobicContact CD1-CB 3.72Å; L129-F142 HydrophobicContact CD1-CD1 3.55Å; L129-F142 HydrophobicContact CD1-CD2 4.27Å; L129-F142 HydrophobicContact CD1-CE1 4.22Å; L129-F142 HydrophobicContact CD1-CG 3.57Å; L129-V286 HydrophobicContact CD1-CG2 4.37Å; L129-V286 HydrophobicContact CD2-CG2 3.72Å
130N84.7Confident84.6Confident24 Ų2447.3 Ų47.313%0.12830%0.295CS..EExtended strand (participates in β ladder)trans-90.9131.3170.8-73.7-65.4000109.1W120 T136 I163W120-N130 HydrophobicContact CD2-CB 3.71Å; W120-N130 HydrophobicContact CE3-CB 4.39Å; W120-N130 HydrophobicContact CG-CB 4.1Å; W120-N130 HydrophobicContact CH2-CB 4.14Å; W120-N130 HydrophobicContact CZ2-CB 3.42Å; W120-N130 VanDerWaalsContact CZ2-CB 3.42Å; W120-N130 VanDerWaalsContact CZ2-CG 3.49Å; W120-N130 VanDerWaalsContact NE1-CB 3.31Å; N130-T136 WeakPolarHBondContact OD1-CG2 3.16Å; N130-I163 VanDerWaalsContact O-CD1 3.25Å; N130-I163 WeakPolarHBondContact O-CD1 3.41Å
131Q82Confident84.5Confident2 Ų246.1 Ų46.11%0.00929%0.292CS..  trans-92.4-125.6167.6-177.6159.3-50.300108W120 I135 Y137 V200 V203 Y207W120-Q131 WeakPolarHBondContact CB-O 3.41Å; Q131-I135 HydrophobicContact CB-CB 4.09Å; Q131-I135 HydrophobicContact CB-CG2 4.16Å; Q131-I135 VanDerWaalsContact CB-O 3.3Å; Q131-I135 WeakPolarHBondContact CB-O 3.42Å; Q131-I135 PolarHBondContact N-O 2.89Å; Q131-Y137 HydrophobicContact CB-CE1 4.14Å; Q131-V200 HydrophobicContact CG-CG1 3.47Å; Q131-V200 VanDerWaalsContact CG-CG1 3.47Å; Q131-V200 PolarHBondContact NE2-O 2.82Å; Q131-V203 PolarHBondContact NE2-O 3.37Å; Q131-Y207 HydrophobicContact CB-CE2 4.28Å; Q131-Y207 HydrophobicContact CG-CD2 4.43Å; Q131-Y207 HydrophobicContact CG-CE2 3.67Å
132V73.7Confident84.5Confident17 Ų1745.3 Ų45.310%0.10329%0.287CS..SBendtrans-118140.1-178.4176.20000108Q119 G134 V200 R201Q119-V132 HydrophobicContact CB-CG2 3.9Å; V132-G134 PolarHBondContact O-N 2.99Å; V132-V200 HydrophobicContact CB-CG1 3.91Å; V132-V200 HydrophobicContact CG2-CG1 3.53Å; V132-R201 HydrophobicContact CG1-CG 3.89Å
133K69.6Low84.4Confident109 Ų10945.2 Ų45.247%0.47428%0.284SS..THydrogen-bonded Turntrans55.345.7174-68.1-177.5177.5-166.50113.8T25 I135 R201T25-K133 HydrophobicContact CG2-CD 3.81Å; T25-K133 VanDerWaalsContact CG2-NZ 3.3Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-I135 PolarHBondContact O-N 2.88Å; K133-R201 HydrophobicContact CD-CG 4.13Å
134G70.8Confident84.4Confident64 Ų6443.4 Ų43.466%0.6628%0.277SS*.THydrogen-bonded Turntrans81.93.4170.600000115.9V132 T136V132-G134 PolarHBondContact O-N 2.99Å; G134-T136 PolarHBondContact O-N 3.35Å
135I75.7Confident84.4Confident14 Ų1450.8 Ų50.87%0.07230%0.303CS..  trans-73.7121.9168.9-60.8176.4000107.8Q131 K133Q131-I135 HydrophobicContact CB-CB 4.09Å; Q131-I135 HydrophobicContact CB-CG2 4.16Å; Q131-I135 VanDerWaalsContact CB-O 3.3Å; Q131-I135 WeakPolarHBondContact CB-O 3.42Å; Q131-I135 PolarHBondContact N-O 2.89Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-I135 PolarHBondContact O-N 2.88Å
136T84.2Confident84.5Confident72 Ų7249.3 Ų49.344%0.44230%0.296SS..EExtended strand (participates in β ladder)trans-120.9158.217564.30000111L129 N130 G134L129-T136 CarbonylContact O-C 3.52Å; L129-T136 WeakPolarHBondContact O-CA 3.29Å; L129-T136 WeakPolarHBondContact O-CB 3.47Å; N130-T136 WeakPolarHBondContact OD1-CG2 3.16Å; G134-T136 PolarHBondContact O-N 3.35Å
137Y83.9Confident84.7Confident6 Ų654.1 Ų54.12%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-151.3153.1173.557.2-87.1000111.2C128 L129 Q131 L139 F142 N205 Y207 S208C128-Y137 CarbonylContact C-O 3.53Å; C128-Y137 WeakPolarHBondContact CA-O 3.41Å; L129-Y137 HydrophobicContact CB-CD2 4.26Å; L129-Y137 HydrophobicContact CB-CE1 4.12Å; L129-Y137 HydrophobicContact CB-CE2 3.79Å; L129-Y137 HydrophobicContact CD1-CE2 3.67Å; L129-Y137 HydrophobicContact CG-CE2 4.34Å; L129-Y137 PolarHBondContact N-O 3.48Å; L129-Y137 PolarHBondContact O-N 2.79Å; Q131-Y137 HydrophobicContact CB-CE1 4.14Å; Y137-L139 PolarHBondContact O-N 2.91Å; Y137-F142 HydrophobicContact CD2-CB 4.5Å; Y137-F142 HydrophobicContact CE2-CB 3.91Å; Y137-F142 AromaticContact CE2-CD2 3.99Å; Y137-F142 HydrophobicContact CE2-CD2 3.99Å; Y137-F142 HydrophobicContact CE2-CG 4.17Å; Y137-N205 HydrophobicContact CD1-CB 4.47Å; Y137-N205 HydrophobicContact CG-CB 4.07Å; Y137-Y207 HydrophobicContact CE1-CD2 4.06Å; Y137-Y207 AromaticContact CZ-CD2 3.99Å; Y137-Y207 VanDerWaalsContact OH-CD2 3.28Å; Y137-Y207 WeakPolarHBondContact OH-CD2 3.41Å; Y137-S208 WeakPolarHBondContact CD2-OG 3.44Å; Y137-S208 WeakPolarHBondContact CE2-OG 3.38Å
138P88.1Confident84.8Confident60 Ų6052 Ų5239%0.3927%0.273SS..EExtended strand (participates in β ladder)trans-60.8135.3-176.4-23.534.1000112.4E140 E141 F142P138-E140 PolarHBondContact O-N 3.17Å; P138-E141 HydrophobicContact CB-CB 4.21Å; P138-E141 WeakPolarHBondContact O-CB 3.22Å; P138-E141 PolarHBondContact O-N 2.88Å; P138-E141 VanDerWaalsContact O-N 3.09Å; P138-F142 PolarHBondContact O-N 2.88Å
139L90.4Very high84.7Confident7 Ų753.7 Ų53.74%0.03728%0.284CS..Hα-helixtrans-59.9-37.1176.3-176.764.8000111.5L124 G127 L129 Y137 E141 F142 F143 L153 L159 V286L124-L139 HydrophobicContact CD2-CD1 4.07Å; L124-L139 HydrophobicContact CD2-CD2 3.85Å; L124-L139 HydrophobicContact CD2-CG 4.4Å; G127-L139 VanDerWaalsContact O-CB 3.24Å; G127-L139 WeakPolarHBondContact O-CB 3.49Å; G127-L139 PolarHBondContact O-N 2.84Å; L129-L139 HydrophobicContact CD1-CD1 3.62Å; L129-L139 HydrophobicContact CD2-CD1 3.89Å; L129-L139 HydrophobicContact CG-CD1 3.56Å; Y137-L139 PolarHBondContact O-N 2.91Å; L139-E141 VanDerWaalsContact C-N 3.29Å; L139-E141 PolarHBondContact O-N 2.81Å; L139-F142 VanDerWaalsContact O-CB 3.25Å; L139-F142 WeakPolarHBondContact O-CB 3.27Å; L139-F142 PolarHBondContact O-N 2.85Å; L139-F142 VanDerWaalsContact O-N 3.12Å; L139-F143 HydrophobicContact CD1-CD2 3.99Å; L139-F143 HydrophobicContact CD1-CE2 3.5Å; L139-F143 HydrophobicContact CD1-CZ 4.45Å; L139-F143 HydrophobicContact CD2-CE2 4.32Å; L139-F143 HydrophobicContact CG-CD2 3.92Å; L139-F143 HydrophobicContact CG-CE2 3.77Å; L139-F143 WeakPolarHBondContact O-CD2 3.45Å; L139-F143 PolarHBondContact O-N 2.82Å; L139-F143 VanDerWaalsContact O-N 3.08Å; L139-L153 HydrophobicContact CD2-CD1 3.82Å; L139-L153 HydrophobicContact CD2-CD2 4.43Å; L139-L153 HydrophobicContact CD2-CG 4.49Å; L139-L153 HydrophobicContact CG-CD1 4.2Å; L139-L159 HydrophobicContact CD2-CD1 3.91Å; L139-V286 HydrophobicContact CD1-CG1 4.08Å; L139-V286 HydrophobicContact CD1-CG2 4.19Å
140E89.7Confident84.3Confident139 Ų13957.7 Ų57.765%0.6533%0.325SS*.Hα-helixtrans-60.2-39.8175.6-64.2175.3-169.100111.9P138 F142 F143 G144 R145P138-E140 PolarHBondContact O-N 3.17Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.91Å; E140-F143 CarbonylContact O-C 3.57Å; E140-F143 PolarHBondContact O-N 2.86Å; E140-G144 PolarHBondContact O-N 2.81Å; E140-R145 WeakPolarHBondContact O-CA 3.49Å; E140-R145 PolarHBondContact O-N 2.77Å
141E91.2Very high84.1Confident37 Ų3757.4 Ų57.417%0.17332%0.323CS..Hα-helixtrans-63.6-38.4176.4-173.1176.9138.600111.3P138 L139 F143 G144 R145 N205 R212P138-E141 HydrophobicContact CB-CB 4.21Å; P138-E141 WeakPolarHBondContact O-CB 3.22Å; P138-E141 PolarHBondContact O-N 2.88Å; P138-E141 VanDerWaalsContact O-N 3.09Å; L139-E141 VanDerWaalsContact C-N 3.29Å; L139-E141 PolarHBondContact O-N 2.81Å; E141-F143 VanDerWaalsContact C-N 3.33Å; E141-F143 PolarHBondContact O-N 3.15Å; E141-G144 PolarHBondContact O-N 2.99Å; E141-G144 VanDerWaalsContact O-N 3.16Å; E141-R145 IonicContact OE2-CZ 3.82Å; E141-R145 IonicContact OE2-NH2 2.78Å; E141-R145 PolarHBondContact OE2-NH2 2.75Å; E141-N205 PolarHBondContact OE1-ND2 2.92Å; E141-R212 PolarHBondContact O-NH2 3.02Å; E141-R212 VanDerWaalsContact O-NH2 3.12Å
142F94.2Very high84Confident0 Ų061.7 Ų61.70%035%0.346CS..Hα-helixtrans-60.6-43.1174.1-169.8-120.6000111.8L129 Y137 P138 L139 E140 G144 S208 R212 H214 S227 V229 V284L129-F142 HydrophobicContact CD1-CB 3.72Å; L129-F142 HydrophobicContact CD1-CD1 3.55Å; L129-F142 HydrophobicContact CD1-CD2 4.27Å; L129-F142 HydrophobicContact CD1-CE1 4.22Å; L129-F142 HydrophobicContact CD1-CG 3.57Å; Y137-F142 HydrophobicContact CD2-CB 4.5Å; Y137-F142 HydrophobicContact CE2-CB 3.91Å; Y137-F142 AromaticContact CE2-CD2 3.99Å; Y137-F142 HydrophobicContact CE2-CD2 3.99Å; Y137-F142 HydrophobicContact CE2-CG 4.17Å; P138-F142 PolarHBondContact O-N 2.88Å; L139-F142 VanDerWaalsContact O-CB 3.25Å; L139-F142 WeakPolarHBondContact O-CB 3.27Å; L139-F142 PolarHBondContact O-N 2.85Å; L139-F142 VanDerWaalsContact O-N 3.12Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.91Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.37Å; F142-S208 WeakPolarHBondContact CA-OG 3.37Å; F142-S208 PolarHBondContact N-OG 3.38Å; F142-R212 PolarHBondContact O-NE 3.35Å; F142-R212 PolarHBondContact O-NH2 3.37Å; F142-H214 AromaticContact CD1-CE1 3.78Å; F142-H214 AromaticContact CE1-CE1 3.51Å; F142-H214 AromaticContact CE1-ND1 3.8Å; F142-H214 AromaticContact CZ-CE1 3.67Å; F142-H214 PolarHBondContact O-CE1 3.22Å; F142-H214 PolarHBondContact O-NE2 2.82Å; F142-H214 VanDerWaalsContact O-NE2 3.11Å; F142-S227 WeakPolarHBondContact CE1-OG 3.34Å; F142-V229 HydrophobicContact CE2-CG2 4.28Å; F142-V229 HydrophobicContact CZ-CG2 4.33Å; F142-V284 HydrophobicContact CE1-CB 4.25Å; F142-V284 HydrophobicContact CE1-CG1 4.01Å; F142-V284 HydrophobicContact CE2-CG2 4.45Å; F142-V284 HydrophobicContact CZ-CB 3.78Å; F142-V284 HydrophobicContact CZ-CG1 3.93Å; F142-V284 HydrophobicContact CZ-CG2 3.99Å
143F93.9Very high84.2Confident3 Ų362.6 Ų62.61%0.01335%0.35CS..THydrogen-bonded Turntrans-84.16.3177.4-68.5-65.2000114.7L139 E140 E141 L148 L153 R186 H214 F223L139-F143 HydrophobicContact CD1-CD2 3.99Å; L139-F143 HydrophobicContact CD1-CE2 3.5Å; L139-F143 HydrophobicContact CD1-CZ 4.45Å; L139-F143 HydrophobicContact CD2-CE2 4.32Å; L139-F143 HydrophobicContact CG-CD2 3.92Å; L139-F143 HydrophobicContact CG-CE2 3.77Å; L139-F143 WeakPolarHBondContact O-CD2 3.45Å; L139-F143 PolarHBondContact O-N 2.82Å; L139-F143 VanDerWaalsContact O-N 3.08Å; E140-F143 CarbonylContact O-C 3.57Å; E140-F143 PolarHBondContact O-N 2.86Å; E141-F143 VanDerWaalsContact C-N 3.33Å; E141-F143 PolarHBondContact O-N 3.15Å; F143-L148 HydrophobicContact CD1-CD1 4Å; F143-L148 HydrophobicContact CD1-CD2 4.28Å; F143-L148 HydrophobicContact CD2-CD1 4.15Å; F143-L148 HydrophobicContact CE1-CD1 4.2Å; F143-L148 HydrophobicContact CE2-CD1 4.31Å; F143-L148 HydrophobicContact CG-CD1 3.98Å; F143-L148 HydrophobicContact CZ-CD1 4.37Å; F143-L153 HydrophobicContact CD2-CD1 3.79Å; F143-L153 HydrophobicContact CE2-CD1 3.89Å; F143-R186 VanDerWaalsContact O-CD 3.3Å; F143-R186 WeakPolarHBondContact O-CD 3.22Å; F143-R186 PolarHBondContact O-NH1 3.27Å; F143-H214 HydrophobicContact CD1-CB 4.45Å; F143-H214 AromaticContact CD1-CE1 3.89Å; F143-H214 AromaticContact CD1-CG 3.89Å; F143-H214 AromaticContact CD1-ND1 3.71Å; F143-H214 HydrophobicContact CE1-CB 4.37Å; F143-H214 AromaticContact CE1-ND1 3.63Å; F143-F223 HydrophobicContact CE2-CZ 4.3Å; F143-F223 AromaticContact CZ-CZ 3.9Å; F143-F223 HydrophobicContact CZ-CZ 3.9Å
144G92.4Very high84.5Confident24 Ų2462 Ų6225%0.24737%0.366CS..THydrogen-bonded Turntrans90.414.717300000115.8E140 E141 F142 Q146E140-G144 PolarHBondContact O-N 2.81Å; E141-G144 PolarHBondContact O-N 2.99Å; E141-G144 VanDerWaalsContact O-N 3.16Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.37Å; G144-Q146 PolarHBondContact O-N 2.88Å
145R88.5Confident84.4Confident180 Ų18062.8 Ų62.868%0.67936%0.361SS*.SBendtrans55.829.2-180-53.7-176.8-178.2156.1-1113.7E140 E141E140-R145 WeakPolarHBondContact O-CA 3.49Å; E140-R145 PolarHBondContact O-N 2.77Å; E141-R145 IonicContact OE2-CZ 3.82Å; E141-R145 IonicContact OE2-NH2 2.78Å; E141-R145 PolarHBondContact OE2-NH2 2.75Å
146Q86.4Confident84.2Confident110 Ų11065.3 Ų65.351%0.51437%0.371SS..SBendtrans-121.9143.9168.4-68.2-170.920.600108.1G144 R186 L257G144-Q146 PolarHBondContact O-N 2.88Å; Q146-R186 PolarHBondContact O-NH1 2.74Å; Q146-L257 HydrophobicContact CB-CD1 4.39Å; Q146-L257 HydrophobicContact CG-CD1 4.24Å
147E85.9Confident83.5Confident183 Ų18364.7 Ų64.786%0.85537%0.374SS*.PPolyproline II helixtrans-57.1146.2177.1-67.3-173.1164.200111.1R186E147-R186 PolarHBondContact O-NH2 3Å
148L86Confident83.8Confident7 Ų767.4 Ų67.44%0.03739%0.394CS..BIsolated β-bridgetrans-87.2127.3170.3-69.8173.4000107.4F143 G150 I151 L153 F184 V216 F223F143-L148 HydrophobicContact CD1-CD1 4Å; F143-L148 HydrophobicContact CD1-CD2 4.28Å; F143-L148 HydrophobicContact CD2-CD1 4.15Å; F143-L148 HydrophobicContact CE1-CD1 4.2Å; F143-L148 HydrophobicContact CE2-CD1 4.31Å; F143-L148 HydrophobicContact CG-CD1 3.98Å; F143-L148 HydrophobicContact CZ-CD1 4.37Å; L148-G150 PolarHBondContact O-N 3.17Å; L148-G150 VanDerWaalsContact O-N 3.15Å; L148-I151 HydrophobicContact CB-CB 3.88Å; L148-I151 HydrophobicContact CB-CD1 4.35Å; L148-I151 HydrophobicContact CB-CG2 4.37Å; L148-I151 HydrophobicContact CD1-CG2 4.47Å; L148-I151 PolarHBondContact O-N 2.9Å; L148-L153 HydrophobicContact CD1-CD1 4.11Å; L148-F184 HydrophobicContact CD2-CD1 4.26Å; L148-F184 HydrophobicContact CD2-CE1 3.69Å; L148-V216 HydrophobicContact CD1-CG1 4.25Å; L148-V216 HydrophobicContact CD2-CG2 4.19Å; L148-F223 HydrophobicContact CD1-CE2 4.11Å; L148-F223 HydrophobicContact CD1-CZ 4.46Å
149P82.3Confident84Confident70 Ų7065.5 Ų65.546%0.45538%0.38SS..THydrogen-bonded Turntrans-54.4122.4-176.5-27.234.8000112.2I151 F184P149-I151 PolarHBondContact O-N 2.9Å; P149-F184 HydrophobicContact CG-CD2 3.83Å; P149-F184 HydrophobicContact CG-CE2 3.6Å; P149-F184 HydrophobicContact CG-CG 4.47Å; P149-F184 HydrophobicContact CG-CZ 4.09Å
150G76.9Confident84.2Confident83 Ų8365.9 Ų65.986%0.85638%0.381SS*.THydrogen-bonded Turntrans71.29.3178.700000115.3L148L148-G150 PolarHBondContact O-N 3.17Å; L148-G150 VanDerWaalsContact O-N 3.15Å
151I80.9Confident84.5Confident18 Ų1859.2 Ų59.29%0.09235%0.35CS..BIsolated β-bridgetrans-126.6103.4-175.2-62.1166000109.4L148 P149 L153 V216 F223L148-I151 HydrophobicContact CB-CB 3.88Å; L148-I151 HydrophobicContact CB-CD1 4.35Å; L148-I151 HydrophobicContact CB-CG2 4.37Å; L148-I151 HydrophobicContact CD1-CG2 4.47Å; L148-I151 PolarHBondContact O-N 2.9Å; P149-I151 PolarHBondContact O-N 2.9Å; I151-L153 HydrophobicContact CG2-CD2 3.93Å; I151-L153 HydrophobicContact CG2-CG 4.14Å; I151-V216 HydrophobicContact CD1-CG1 3.22Å; I151-F223 HydrophobicContact CD1-CD2 4Å; I151-F223 HydrophobicContact CD1-CE2 4.13Å; I151-F223 HydrophobicContact CG1-CD2 4.48Å; I151-F223 HydrophobicContact CG2-CD2 3.51Å; I151-F223 HydrophobicContact CG2-CE2 3.84Å; I151-F223 HydrophobicContact CG2-CG 4.39Å
152N79.8Confident84.8Confident92 Ų9257.5 Ų57.549%0.49234%0.342SS..  trans-88.6104.5165.7-176.5-12.9000109.1A154 S155 K156N152-A154 VanDerWaalsContact C-N 3.31Å; N152-A154 WeakPolarHBondContact OD1-CB 3.48Å; N152-A154 PolarHBondContact OD1-N 3.09Å; N152-S155 PolarHBondContact O-N 3.43Å; N152-S155 PolarHBondContact O-OG 2.86Å; N152-S155 PolarHBondContact OD1-N 3.48Å; N152-K156 WeakPolarHBondContact O-CD 3.46Å; N152-K156 VanDerWaalsContact O-CE 3.25Å; N152-K156 WeakPolarHBondContact O-CE 3.34Å; N152-K156 VanDerWaalsContact O-CG 3.28Å; N152-K156 WeakPolarHBondContact O-CG 3.44Å
153L78.4Confident84.8Confident36 Ų3657.5 Ų57.519%0.18834%0.342CS..G310 helixtrans-68.5-29.5178.9-69.9170.9000112.7L139 F143 L148 I151 S155 K156 L159 F223L139-L153 HydrophobicContact CD2-CD1 3.82Å; L139-L153 HydrophobicContact CD2-CD2 4.43Å; L139-L153 HydrophobicContact CD2-CG 4.49Å; L139-L153 HydrophobicContact CG-CD1 4.2Å; F143-L153 HydrophobicContact CD2-CD1 3.79Å; F143-L153 HydrophobicContact CE2-CD1 3.89Å; L148-L153 HydrophobicContact CD1-CD1 4.11Å; I151-L153 HydrophobicContact CG2-CD2 3.93Å; I151-L153 HydrophobicContact CG2-CG 4.14Å; L153-S155 PolarHBondContact O-N 2.84Å; L153-K156 PolarHBondContact O-N 2.87Å; L153-L159 HydrophobicContact CD2-CD1 4.46Å; L153-F223 HydrophobicContact CD2-CD1 3.98Å; L153-F223 HydrophobicContact CD2-CD2 4.06Å; L153-F223 HydrophobicContact CD2-CE1 3.79Å; L153-F223 HydrophobicContact CD2-CE2 3.85Å; L153-F223 HydrophobicContact CD2-CG 4.1Å; L153-F223 HydrophobicContact CD2-CZ 3.72Å
154A74.4Confident84.9Confident98 Ų9857.3 Ų57.381%0.8134%0.342SS*.G310 helixtrans-71.7-20.4-179.300000112.9N152N152-A154 VanDerWaalsContact C-N 3.31Å; N152-A154 WeakPolarHBondContact OD1-CB 3.48Å; N152-A154 PolarHBondContact OD1-N 3.09Å
155S70Confident85Confident80 Ų8057 Ų5756%0.55933%0.333SS*.G310 helixtrans-99.26179.677.50000113.9N152 L153N152-S155 PolarHBondContact O-N 3.43Å; N152-S155 PolarHBondContact O-OG 2.86Å; N152-S155 PolarHBondContact OD1-N 3.48Å; L153-S155 PolarHBondContact O-N 2.84Å
156K69.8Low85.2Confident66 Ų6648.5 Ų48.529%0.28730%0.301SS..  trans-83159.6-176.9-60.3-48.6-174.9174.40111.7N152 L153 L159 F223N152-K156 WeakPolarHBondContact O-CD 3.46Å; N152-K156 VanDerWaalsContact O-CE 3.25Å; N152-K156 WeakPolarHBondContact O-CE 3.34Å; N152-K156 VanDerWaalsContact O-CG 3.28Å; N152-K156 WeakPolarHBondContact O-CG 3.44Å; L153-K156 PolarHBondContact O-N 2.87Å; K156-L159 HydrophobicContact CB-CD2 4.26Å; K156-F223 HydrophobicContact CG-CB 4.44Å
157A70.8Confident85.3Confident60 Ų6043.5 Ų43.550%0.49628%0.279SS..SBendtrans-63.9-164.9168.900000111.1L159 E288A157-L159 PolarHBondContact O-N 2.75Å; A157-L159 VanDerWaalsContact O-N 3.07Å; A157-E288 HydrophobicContact CB-CG 3.84Å; A157-E288 WeakPolarHBondContact CB-OE1 3.4Å; A157-E288 PolarHBondContact N-OE1 3.44Å
158S89.3Confident85.3Confident63 Ų6335.5 Ų35.544%0.44124%0.242SC..  trans-57.7117.3179-61.50000111.2A289S158-A289 PolarHBondContact O-N 2.98Å
159L93.3Very high85.5Confident20 Ų2035.4 Ų35.411%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-87.3143.9173-67.4176.5000109.8P123 L124 L139 L153 K156 A157 F223 F287 E288P123-L159 CarbonylContact C-O 3.53Å; P123-L159 WeakPolarHBondContact CA-O 3.28Å; L124-L159 HydrophobicContact CB-CB 4.09Å; L124-L159 HydrophobicContact CD1-CB 4.02Å; L124-L159 HydrophobicContact CD2-CB 4.17Å; L124-L159 HydrophobicContact CD2-CD1 4.31Å; L124-L159 HydrophobicContact CG-CB 4.33Å; L124-L159 PolarHBondContact N-O 3.13Å; L139-L159 HydrophobicContact CD2-CD1 3.91Å; L153-L159 HydrophobicContact CD2-CD1 4.46Å; K156-L159 HydrophobicContact CB-CD2 4.26Å; A157-L159 PolarHBondContact O-N 2.75Å; A157-L159 VanDerWaalsContact O-N 3.07Å; L159-F223 HydrophobicContact CD2-CD1 3.85Å; L159-F287 CarbonylContact C-O 3.54Å; L159-F287 WeakPolarHBondContact CA-O 3.28Å; L159-E288 HydrophobicContact CD2-CB 4.02Å
160F94.8Very high86Confident14 Ų1433 Ų336%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-123.3152.9174.5-67.1-99.6000109.7G122 P123 V286 F287 A289 F293 F295G122-F160 WeakPolarHBondContact O-CA 3.39Å; P123-F160 HydrophobicContact CB-CD1 4.27Å; P123-F160 HydrophobicContact CB-CE1 4.16Å; F160-V286 WeakPolarHBondContact O-CA 3.3Å; F160-F287 HydrophobicContact CB-CD2 4.4Å; F160-F287 HydrophobicContact CB-CE1 4.19Å; F160-F287 HydrophobicContact CB-CE2 3.93Å; F160-F287 HydrophobicContact CB-CZ 3.8Å; F160-F287 PolarHBondContact N-O 3.33Å; F160-F287 PolarHBondContact O-N 3.2Å; F160-A289 HydrophobicContact CD2-CB 3.64Å; F160-A289 HydrophobicContact CE2-CB 3.75Å; F160-F293 AromaticContact CD1-CD1 3.73Å; F160-F293 HydrophobicContact CD1-CD1 3.73Å; F160-F293 HydrophobicContact CD1-CE1 4.25Å; F160-F293 HydrophobicContact CD2-CD1 4.33Å; F160-F293 HydrophobicContact CE1-CB 4.45Å; F160-F293 AromaticContact CE1-CD1 3.82Å; F160-F293 HydrophobicContact CE1-CD1 3.82Å; F160-F293 HydrophobicContact CE2-CB 4.19Å; F160-F293 HydrophobicContact CE2-CD1 4.42Å; F160-F293 AromaticContact CG-CD1 3.98Å; F160-F293 HydrophobicContact CG-CD1 3.98Å; F160-F293 HydrophobicContact CG-CE1 4.43Å; F160-F293 HydrophobicContact CZ-CB 4.02Å; F160-F293 HydrophobicContact CZ-CD1 4.17Å; F160-F295 HydrophobicContact CB-CE2 4.25Å; F160-F295 HydrophobicContact CB-CZ 4.18Å; F160-F295 AromaticContact CD1-CE2 3.9Å; F160-F295 HydrophobicContact CD1-CE2 3.9Å
161S95.8Very high86.8Confident0 Ų029.7 Ų29.70%019%0.188CC..EExtended strand (participates in β ladder)trans-130.7149.5174.555.10000111.7W120 C121 G122 L285 F295W120-S161 PolarHBondContact NE1-OG 2.77Å; C121-S161 VanDerWaalsContact CA-O 3.27Å; C121-S161 WeakPolarHBondContact CA-O 3.23Å; G122-S161 PolarHBondContact N-O 3.41Å; G122-S161 PolarHBondContact O-N 2.99Å; S161-L285 WeakPolarHBondContact CA-O 3.46Å; S161-F295 VanDerWaalsContact O-CZ 3.25Å; S161-F295 WeakPolarHBondContact O-CZ 3.5Å
162C96.2Very high87.4Confident0 Ų028.9 Ų28.90%018%0.184CC..EExtended strand (participates in β ladder)trans-140.4133.8168.5-177.90000109.2W120 C121 V284 L285 F295 L309W120-C162 CarbonylContact O-C 3.58Å; W120-C162 VanDerWaalsContact O-CA 3.31Å; W120-C162 WeakPolarHBondContact O-CA 3.14Å; C121-C162 HydrophobicContact CB-CB 4.31Å; C162-V284 WeakPolarHBondContact O-CA 3.37Å; C162-L285 HydrophobicContact CB-CB 4.32Å; C162-L285 HydrophobicContact CB-CD1 4.46Å; C162-L285 PolarHBondContact N-O 2.91Å; C162-L285 VanDerWaalsContact N-O 3.08Å; C162-L285 PolarHBondContact O-N 3.42Å; C162-F295 HydrophobicContact CB-CE1 3.84Å; C162-F295 HydrophobicContact CB-CZ 4.17Å; C162-L309 HydrophobicContact CB-CD2 4.25Å
163I95.8Very high88.1Confident0 Ų024.6 Ų24.60%016%0.161CC..EExtended strand (participates in β ladder)trans-117120.4177.5-57.9172.3000108.1V118 Q119 W120 N130 Y207 I283 V284V118-I163 CarbonylContact C-O 3.54Å; Q119-I163 HydrophobicContact CB-CB 4.34Å; Q119-I163 HydrophobicContact CB-CG2 4.11Å; Q119-I163 PolarHBondContact N-O 2.78Å; W120-I163 HydrophobicContact CB-CB 4.26Å; W120-I163 HydrophobicContact CB-CD1 4.07Å; W120-I163 HydrophobicContact CB-CG1 4.28Å; W120-I163 PolarHBondContact N-O 3.43Å; W120-I163 PolarHBondContact O-N 2.82Å; N130-I163 VanDerWaalsContact O-CD1 3.25Å; N130-I163 WeakPolarHBondContact O-CD1 3.41Å; I163-Y207 HydrophobicContact CD1-CD2 4.29Å; I163-Y207 HydrophobicContact CD1-CE2 3.67Å; I163-Y207 HydrophobicContact CG2-CE1 4.1Å; I163-Y207 HydrophobicContact CG2-CE2 4.34Å; I163-I283 WeakPolarHBondContact CA-O 3.45Å; I163-V284 HydrophobicContact CG1-CG1 4.11Å; I163-V284 HydrophobicContact CG1-CG2 4.18Å; I163-V284 HydrophobicContact CG2-CG2 4.36Å
164V95.4Very high89Confident0 Ų022.9 Ų22.90%015%0.152CC..EExtended strand (participates in β ladder)trans-112.7126.5177-174.50000108.7P113 S282 I283 I303P113-V164 HydrophobicContact CG-CG2 4.42Å; V164-S282 CarbonylContact O-C 3.56Å; V164-S282 WeakPolarHBondContact O-CA 3.3Å; V164-S282 WeakPolarHBondContact O-CB 3.21Å; V164-I283 PolarHBondContact N-O 3.14Å; V164-I283 PolarHBondContact O-N 3.41Å; V164-I303 HydrophobicContact CG1-CD1 4.14Å; V164-I303 HydrophobicContact CG1-CG1 4.39Å; V164-I303 HydrophobicContact CG2-CD1 3.89Å
165Y93.8Very high90.2Very high18 Ų1818.6 Ų18.67%0.07112%0.116CC..EExtended strand (participates in β ladder)trans-101.3130.2175.4166.6-111.7000111.5Y20 G116 V117 Q119 A167 V195 S281Y20-Y165 HydrophobicContact CE2-CE1 4.42Å; G116-Y165 CarbonylContact C-O 3.57Å; G116-Y165 WeakPolarHBondContact CA-O 3.37Å; V117-Y165 PolarHBondContact N-O 2.84Å; V117-Y165 PolarHBondContact O-N 3.37Å; Q119-Y165 VanDerWaalsContact NE2-CG 3.27Å; Y165-A167 HydrophobicContact CE1-CB 3.78Å; Y165-V195 HydrophobicContact CD2-CG2 3.76Å; Y165-V195 HydrophobicContact CE2-CG2 3.74Å; Y165-S281 WeakPolarHBondContact CD2-O 3.35Å
166L93.4Very high91.5Very high0 Ų014.8 Ų14.80%09%0.089CC..EExtended strand (participates in β ladder)trans-101.1107.4179.6-60.978.6000107.8A114 D115 F277 S281 I283A114-L166 HydrophobicContact CB-CD1 4.22Å; A114-L166 HydrophobicContact CB-CD2 3.97Å; A114-L166 HydrophobicContact CB-CG 4.21Å; D115-L166 WeakPolarHBondContact O-CG 3.44Å; L166-F277 HydrophobicContact CD2-CD2 4.2Å; L166-F277 HydrophobicContact CD2-CE2 4.29Å; L166-S281 PolarHBondContact N-O 2.82Å; L166-S281 PolarHBondContact O-N 3.19Å; L166-I283 HydrophobicContact CD1-CG1 4.16Å
167A89Confident92.9Very high6 Ų611.7 Ų11.75%0.058%0.075CC..  trans-77.5157.9177.100000110.3Y17 Y165 G169 D170 H172Y17-A167 HydrophobicContact CE2-CB 4.45Å; Y165-A167 HydrophobicContact CE1-CB 3.78Å; A167-G169 PolarHBondContact O-N 3.42Å; A167-D170 WeakPolarHBondContact CA-OD2 3.42Å; A167-D170 VanDerWaalsContact CB-OD2 3.28Å; A167-D170 WeakPolarHBondContact CB-OD2 3.46Å; A167-D170 PolarHBondContact N-OD2 3.23Å; A167-D170 WeakPolarHBondContact O-CB 3.5Å; A167-D170 PolarHBondContact O-N 2.74Å; A167-H172 PolarHBondContact O-CE1 2.69Å; A167-H172 PolarHBondContact O-NE2 3.17Å
168P86.2Confident94.2Very high14 Ų149.1 Ų9.19%0.0915%0.054CC..THydrogen-bonded Turntrans-56.5-20.1-172.7-25.733.8000116.3Y17 Y68 F72 F94Y17-P168 HydrophobicContact CD2-CG 4.33Å; Y68-P168 WeakPolarHBondContact OH-CB 3.14Å; Y68-P168 PolarHBondContact OH-O 3.36Å; F72-P168 HydrophobicContact CB-CB 4.43Å; F72-P168 HydrophobicContact CD1-CB 3.71Å; F72-P168 HydrophobicContact CD1-CG 4.1Å; F72-P168 HydrophobicContact CD2-CB 4.44Å; F72-P168 HydrophobicContact CE1-CB 4.04Å; F72-P168 HydrophobicContact CE1-CG 4.18Å; F72-P168 HydrophobicContact CG-CB 3.93Å; F94-P168 WeakPolarHBondContact CE2-O 3.46Å
169G88.9Confident94.7Very high5 Ų59.6 Ų9.65%0.0525%0.052CC..THydrogen-bonded Turntrans-85.1-23.2177.100000114.8F72 C74 R96 A167F72-G169 WeakPolarHBondContact O-CA 3.47Å; C74-G169 VanDerWaalsContact SG-CA 3.56Å; R96-G169 PolarHBondContact NH2-O 3.32Å; A167-G169 PolarHBondContact O-N 3.42Å
170D92.1Very high94.9Very high21 Ų219 Ų911%0.1125%0.048CC..SBendtrans-71.9171.5-173.4-56.2-34.5000111D115 A167 H172 R302D115-D170 HydrophobicContact CB-CB 4.32Å; A167-D170 WeakPolarHBondContact CA-OD2 3.42Å; A167-D170 VanDerWaalsContact CB-OD2 3.28Å; A167-D170 WeakPolarHBondContact CB-OD2 3.46Å; A167-D170 PolarHBondContact N-OD2 3.23Å; A167-D170 WeakPolarHBondContact O-CB 3.5Å; A167-D170 PolarHBondContact O-N 2.74Å; D170-H172 PolarHBondContact O-CE1 3.47Å; D170-H172 VanDerWaalsContact O-CE1 3.22Å; D170-H172 PolarHBondContact O-ND1 2.77Å; D170-R302 IonicContact OD1-NH1 2.96Å; D170-R302 PolarHBondContact OD1-NH1 2.96Å
171Y94.3Very high95Very high13 Ų1311.9 Ų11.95%0.0516%0.062CC..  trans-76.3132.5168.2167.3-112.1000110.3R96 L98 D115 G173 H175 Y305R96-Y171 WeakPolarHBondContact O-CD2 3.33Å; R96-Y171 WeakPolarHBondContact O-CE2 3.4Å; L98-Y171 HydrophobicContact CD1-CD1 3.61Å; L98-Y171 HydrophobicContact CD1-CD2 3.65Å; L98-Y171 HydrophobicContact CD1-CE1 4.16Å; L98-Y171 HydrophobicContact CD1-CE2 4.19Å; L98-Y171 HydrophobicContact CD1-CG 3.3Å; L98-Y171 HydrophobicContact CD2-CD2 4.35Å; L98-Y171 HydrophobicContact CG-CD2 3.67Å; L98-Y171 HydrophobicContact CG-CE2 4.11Å; L98-Y171 HydrophobicContact CG-CG 3.88Å; D115-Y171 WeakPolarHBondContact OD2-CB 2.82Å; Y171-G173 WeakPolarHBondContact CE1-O 3.07Å; Y171-H175 AromaticContact CE1-CD2 3.91Å; Y171-H175 AromaticContact CE1-NE2 3.44Å; Y171-H175 WeakPolarHBondContact CE1-NE2 3.02Å; Y171-H175 AromaticContact CZ-NE2 3.72Å; Y171-H175 PolarHBondContact OH-NE2 3.13Å; Y171-H175 VanDerWaalsContact OH-NE2 3.14Å; Y171-Y305 AromaticContact CD1-CD1 3.96Å; Y171-Y305 HydrophobicContact CD1-CD1 3.96Å; Y171-Y305 HydrophobicContact CD1-CE1 4.23Å; Y171-Y305 AromaticContact CE1-CD1 3.89Å; Y171-Y305 HydrophobicContact CE1-CD1 3.89Å; Y171-Y305 AromaticContact CE1-CE1 3.95Å; Y171-Y305 HydrophobicContact CE1-CE1 3.95Å
172H94Very high95.1Very high1 Ų111.9 Ų11.91%0.0056%0.062CC..  trans-105.314.1-172.4-72.476.5000114.5F94 A167 D170 D276 F277 G280F94-H172 HydrophobicContact CD1-CB 4.15Å; F94-H172 HydrophobicContact CE1-CB 3.45Å; F94-H172 VanDerWaalsContact CE1-CB 3.45Å; F94-H172 AromaticContact CE1-CD2 3.42Å; F94-H172 VanDerWaalsContact CE1-CD2 3.42Å; F94-H172 WeakPolarHBondContact CE1-CD2 3.39Å; F94-H172 AromaticContact CE1-CE1 3.75Å; F94-H172 AromaticContact CE1-CG 3.07Å; F94-H172 AromaticContact CE1-ND1 3.32Å; F94-H172 VanDerWaalsContact CE1-ND1 3.32Å; F94-H172 WeakPolarHBondContact CE1-ND1 3.18Å; F94-H172 AromaticContact CE1-NE2 3.82Å; F94-H172 AromaticContact CE2-CE1 3.6Å; F94-H172 AromaticContact CE2-ND1 3.81Å; F94-H172 AromaticContact CE2-NE2 3.99Å; F94-H172 HydrophobicContact CZ-CB 4.16Å; F94-H172 AromaticContact CZ-CD2 3.27Å; F94-H172 WeakPolarHBondContact CZ-CD2 3.38Å; F94-H172 AromaticContact CZ-CE1 3.07Å; F94-H172 WeakPolarHBondContact CZ-CE1 3.4Å; F94-H172 AromaticContact CZ-CG 3.27Å; F94-H172 AromaticContact CZ-ND1 3.15Å; F94-H172 WeakPolarHBondContact CZ-ND1 3.17Å; F94-H172 AromaticContact CZ-NE2 3.14Å; F94-H172 WeakPolarHBondContact CZ-NE2 3.45Å; A167-H172 PolarHBondContact O-CE1 2.69Å; A167-H172 PolarHBondContact O-NE2 3.17Å; D170-H172 PolarHBondContact O-CE1 3.47Å; D170-H172 VanDerWaalsContact O-CE1 3.22Å; D170-H172 PolarHBondContact O-ND1 2.77Å; H172-D276 CarbonylContact O-C 3.52Å; H172-D276 VanDerWaalsContact O-CA 3.26Å; H172-D276 WeakPolarHBondContact O-CA 3.39Å; H172-F277 HydrophobicContact CB-CB 4.37Å; H172-F277 PolarHBondContact O-N 2.96Å; H172-G280 WeakPolarHBondContact NE2-CA 3.33Å
173G95.4Very high95.1Very high1 Ų113.6 Ų13.61%0.017%0.072CC..EExtended strand (participates in β ladder)trans-78.3151.4162.700000111Y171 G275Y171-G173 WeakPolarHBondContact CE1-O 3.07Å; G173-G275 WeakPolarHBondContact CA-O 3.42Å
174F97.2Very high95.1Very high0 Ų013.8 Ų13.80%07%0.073CC..EExtended strand (participates in β ladder)trans-125.9144.1169.957.9-93.5000110.3P113 L226 A228 N238 V239 L274 G275 D276 F277 I283P113-F174 CarbonylContact O-C 3.54Å; P113-F174 VanDerWaalsContact O-CA 3.27Å; P113-F174 WeakPolarHBondContact O-CA 3.48Å; F174-L226 HydrophobicContact CD2-CD2 3.77Å; F174-L226 HydrophobicContact CE2-CD2 3.92Å; F174-A228 HydrophobicContact CE1-CB 4.01Å; F174-A228 HydrophobicContact CZ-CB 3.93Å; F174-N238 WeakPolarHBondContact CZ-O 3.36Å; F174-V239 HydrophobicContact CZ-CG2 4.32Å; F174-L274 HydrophobicContact CD2-CB 3.83Å; F174-L274 HydrophobicContact CE2-CB 3.82Å; F174-L274 PolarHBondContact O-N 3.36Å; F174-G275 PolarHBondContact N-O 3.34Å; F174-G275 PolarHBondContact O-N 3.33Å; F174-G275 VanDerWaalsContact O-N 3.17Å; F174-D276 VanDerWaalsContact CE1-N 3.26Å; F174-F277 AromaticContact CD1-CD2 3.82Å; F174-F277 HydrophobicContact CD1-CD2 3.82Å; F174-F277 AromaticContact CD1-CE2 3.49Å; F174-F277 HydrophobicContact CD1-CE2 3.49Å; F174-F277 VanDerWaalsContact CD1-CE2 3.49Å; F174-F277 HydrophobicContact CD1-CZ 4.13Å; F174-F277 HydrophobicContact CE1-CD2 4.17Å; F174-F277 AromaticContact CE1-CE2 3.93Å; F174-F277 HydrophobicContact CE1-CE2 3.93Å; F174-F277 HydrophobicContact CE1-CZ 4.21Å; F174-F277 HydrophobicContact CG-CE2 4.43Å; F174-I283 HydrophobicContact CB-CD1 3.61Å; F174-I283 HydrophobicContact CB-CG1 3.93Å; F174-I283 HydrophobicContact CD1-CD1 3.94Å; F174-I283 HydrophobicContact CD2-CD1 4.2Å; F174-I283 HydrophobicContact CG-CD1 3.66Å
175H98.3Very high95.1Very high9 Ų914.3 Ų14.34%0.0428%0.075CC..EExtended strand (participates in β ladder)trans-126160.4-167.3-69.1-110.2000110.2P113 Y171 P177 G271 E272 K273 Y305P113-H175 WeakPolarHBondContact CA-O 3.45Å; P113-H175 WeakPolarHBondContact CB-O 3.35Å; P113-H175 PolarHBondContact O-N 2.78Å; Y171-H175 AromaticContact CE1-CD2 3.91Å; Y171-H175 AromaticContact CE1-NE2 3.44Å; Y171-H175 WeakPolarHBondContact CE1-NE2 3.02Å; Y171-H175 AromaticContact CZ-NE2 3.72Å; Y171-H175 PolarHBondContact OH-NE2 3.13Å; Y171-H175 VanDerWaalsContact OH-NE2 3.14Å; H175-P177 WeakPolarHBondContact O-CD 3.42Å; H175-G271 PolarHBondContact ND1-O 3.48Å; H175-E272 CarbonylContact C-O 3.58Å; H175-E272 WeakPolarHBondContact CA-O 3.34Å; H175-E272 WeakPolarHBondContact CB-O 3.45Å; H175-K273 PolarHBondContact ND1-N 3.48Å; H175-Y305 HydrophobicContact CB-CD2 4.15Å; H175-Y305 AromaticContact CD2-CD2 3.9Å; H175-Y305 AromaticContact CD2-CG 3.83Å; H175-Y305 AromaticContact CE1-CE2 3.73Å; H175-Y305 AromaticContact CE1-CZ 3.81Å; H175-Y305 AromaticContact CG-CD2 3.72Å; H175-Y305 AromaticContact ND1-CD2 3.86Å; H175-Y305 AromaticContact ND1-CE2 3.73Å; H175-Y305 AromaticContact NE2-CE1 3.99Å; H175-Y305 AromaticContact NE2-CZ 3.97Å
176S98.7Very high95.2Very high0 Ų013.6 Ų13.60%07%0.072CC..  trans-66.8122.4176.5-167.90000110.6T178 W180 S268 R269 G271 E272S176-T178 VanDerWaalsContact C-N 3.32Å; S176-T178 PolarHBondContact OG-O 2.82Å; S176-W180 PolarHBondContact OG-NE1 3.31Å; S176-S268 WeakPolarHBondContact CB-OG 3.36Å; S176-S268 PolarHBondContact OG-OG 2.68Å; S176-R269 WeakPolarHBondContact CB-O 3.31Å; S176-G271 PolarHBondContact O-N 3.18Å; S176-E272 PolarHBondContact N-O 3.43Å
177P98.5Very high95.4Very high0 Ų014.4 Ų14.40%08%0.075CC..SBendtrans-79.1-14.6-179.631.8-36.1000113.3V110 V111 P113 H175 F224 L285V110-P177 CarbonylContact C-O 3.56Å; V110-P177 WeakPolarHBondContact CA-O 3.42Å; V110-P177 HydrophobicContact CG1-CB 4.17Å; V111-P177 WeakPolarHBondContact CG2-O 3.37Å; V111-P177 PolarHBondContact N-O 3.06Å; V111-P177 WeakPolarHBondContact O-CA 3.32Å; V111-P177 WeakPolarHBondContact O-CB 3.26Å; P113-P177 HydrophobicContact CB-CB 4.32Å; H175-P177 WeakPolarHBondContact O-CD 3.42Å; P177-F224 HydrophobicContact CB-CZ 4.2Å; P177-F224 HydrophobicContact CG-CE1 3.41Å; P177-F224 VanDerWaalsContact CG-CE1 3.41Å; P177-F224 HydrophobicContact CG-CZ 3.35Å; P177-L285 HydrophobicContact CB-CD1 4.12Å; P177-L285 HydrophobicContact CG-CD1 4.22Å; P177-L285 HydrophobicContact CG-CD2 4.08Å
178T98.6Very high95.7Very high7 Ų714.4 Ų14.44%0.0437%0.074CC..SBendtrans-150.7170.3-178.91800000109.7P109 S176 W180 W219 F224 K270P109-T178 PolarHBondContact O-OG1 3.12Å; S176-T178 VanDerWaalsContact C-N 3.32Å; S176-T178 PolarHBondContact OG-O 2.82Å; T178-W180 HydrophobicContact CG2-CB 4.09Å; T178-W180 HydrophobicContact CG2-CG 4.12Å; T178-W180 VanDerWaalsContact O-CD1 3.26Å; T178-W219 HydrophobicContact CG2-CB 3.94Å; T178-W219 HydrophobicContact CG2-CD2 4.43Å; T178-W219 HydrophobicContact CG2-CE3 4.02Å; T178-W219 HydrophobicContact CG2-CG 4.46Å; T178-F224 HydrophobicContact CG2-CD1 4.43Å; T178-F224 HydrophobicContact CG2-CD2 3.81Å; T178-F224 HydrophobicContact CG2-CE1 4.3Å; T178-F224 HydrophobicContact CG2-CE2 3.64Å; T178-F224 HydrophobicContact CG2-CG 4.24Å; T178-F224 HydrophobicContact CG2-CZ 3.92Å; T178-K270 PolarHBondContact O-N 2.81Å
179D98.4Very high96.1Very high73 Ų7314 Ų1439%0.397%0.072SC..SBendtrans-72.9130.3157.7-60.1-54.4000108.7S268 R269 K270D179-S268 WeakPolarHBondContact CA-O 3.44Å; D179-R269 WeakPolarHBondContact OD1-CA 3.47Å; D179-R269 IonicContact OD1-NE 2.73Å; D179-R269 PolarHBondContact OD1-NE 3.12Å; D179-R269 VanDerWaalsContact OD1-NE 3.1Å; D179-K270 PolarHBondContact OD1-N 3.39Å
180W98Very high96.3Very high8 Ų814.6 Ų14.63%0.038%0.078CC..EExtended strand (participates in β ladder)trans-164.8159.9-177.964-42.4000112S176 T178 I182 L215 Q218 W219 F224 L226 S268 L274S176-W180 PolarHBondContact OG-NE1 3.31Å; T178-W180 HydrophobicContact CG2-CB 4.09Å; T178-W180 HydrophobicContact CG2-CG 4.12Å; T178-W180 VanDerWaalsContact O-CD1 3.26Å; W180-I182 HydrophobicContact CD2-CG1 4.02Å; W180-I182 HydrophobicContact CE3-CG1 4.19Å; W180-I182 HydrophobicContact CH2-CG1 4.05Å; W180-I182 HydrophobicContact CZ2-CD1 4.03Å; W180-I182 HydrophobicContact CZ2-CG1 3.83Å; W180-I182 HydrophobicContact CZ3-CG1 4.2Å; W180-L215 HydrophobicContact CH2-CB 3.91Å; W180-Q218 CarbonylContact C-O 3.6Å; W180-Q218 VanDerWaalsContact CA-O 3.28Å; W180-Q218 WeakPolarHBondContact CA-O 3.45Å; W180-Q218 VanDerWaalsContact CB-O 3.23Å; W180-Q218 WeakPolarHBondContact CB-O 3.11Å; W180-W219 HydrophobicContact CB-CB 3.79Å; W180-F224 HydrophobicContact CD2-CB 4.49Å; W180-F224 HydrophobicContact CD2-CD1 4.02Å; W180-F224 HydrophobicContact CD2-CG 4.46Å; W180-F224 HydrophobicContact CE3-CB 3.73Å; W180-F224 AromaticContact CE3-CD1 3.69Å; W180-F224 HydrophobicContact CE3-CD1 3.69Å; W180-F224 HydrophobicContact CE3-CG 4.05Å; W180-F224 HydrophobicContact CH2-CD1 4.07Å; W180-F224 HydrophobicContact CZ2-CD1 4.39Å; W180-F224 HydrophobicContact CZ3-CB 4.17Å; W180-F224 AromaticContact CZ3-CD1 3.71Å; W180-F224 HydrophobicContact CZ3-CD1 3.71Å; W180-F224 HydrophobicContact CZ3-CG 4.39Å; W180-F224 WeakPolarHBondContact CZ3-O 3.27Å; W180-L226 HydrophobicContact CH2-CB 3.9Å; W180-L226 HydrophobicContact CZ2-CB 4.08Å; W180-S268 PolarHBondContact N-O 3.11Å; W180-S268 VanDerWaalsContact N-O 3.07Å; W180-S268 PolarHBondContact O-N 3Å; W180-L274 HydrophobicContact CZ2-CD1 4.07Å
181E97.5Very high96.3Very high74 Ų7415.4 Ų15.435%0.3468%0.08SC..EExtended strand (participates in β ladder)trans-100.8111.7174.6-70.8-62.4139.300109.7V183 G217 Q218 T265 A267E181-V183 PolarHBondContact O-N 3.24Å; E181-G217 CarbonylContact O-C 3.54Å; E181-G217 WeakPolarHBondContact O-CA 3.43Å; E181-Q218 PolarHBondContact N-O 3.25Å; E181-Q218 PolarHBondContact O-N 3Å; E181-T265 WeakPolarHBondContact OE2-CB 3.27Å; E181-T265 PolarHBondContact OE2-OG1 3.01Å; E181-A267 VanDerWaalsContact OE1-CA 3.29Å; E181-A267 WeakPolarHBondContact OE1-CA 3.4Å; E181-A267 WeakPolarHBondContact OE1-CB 3.5Å; E181-A267 WeakPolarHBondContact OE2-CA 3.39Å; E181-A267 PolarHBondContact OE2-N 3.27Å
182I97.4Very high96Very high0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans-80116174.8-55.5166.9000107.7W180 L215 F241 Y262 R266 L274W180-I182 HydrophobicContact CD2-CG1 4.02Å; W180-I182 HydrophobicContact CE3-CG1 4.19Å; W180-I182 HydrophobicContact CH2-CG1 4.05Å; W180-I182 HydrophobicContact CZ2-CD1 4.03Å; W180-I182 HydrophobicContact CZ2-CG1 3.83Å; W180-I182 HydrophobicContact CZ3-CG1 4.2Å; I182-L215 HydrophobicContact CD1-CD1 4.38Å; I182-L215 HydrophobicContact CG2-CB 4.24Å; I182-L215 HydrophobicContact CG2-CD2 4.43Å; I182-F241 HydrophobicContact CD1-CZ 3.99Å; I182-Y262 HydrophobicContact CG2-CD2 3.86Å; I182-Y262 HydrophobicContact CG2-CE2 3.75Å; I182-R266 HydrophobicContact CB-CB 4.29Å; I182-R266 PolarHBondContact N-O 3.03Å; I182-R266 PolarHBondContact O-N 3.18Å; I182-L274 HydrophobicContact CD1-CD2 3.91Å
183V96.2Very high95.7Very high35 Ų3515.2 Ų15.221%0.2128%0.08CC..EExtended strand (participates in β ladder)trans-101.3-23.8-175.5-51.50000112.3E181 V216 Y262 T265E181-V183 PolarHBondContact O-N 3.24Å; V183-V216 WeakPolarHBondContact CG2-O 3.39Å; V183-V216 PolarHBondContact N-O 3.48Å; V183-Y262 PolarHBondContact O-N 3.01Å; V183-T265 HydrophobicContact CB-CG2 4.15Å; V183-T265 HydrophobicContact CG1-CG2 3.67Å
184F95.1Very high95.3Very high5 Ų516 Ų162%0.0229%0.085CC..EExtended strand (participates in β ladder)trans-156.9145-168.2171-97.4000112.4L148 P149 R186 V216 D259 R260L148-F184 HydrophobicContact CD2-CD1 4.26Å; L148-F184 HydrophobicContact CD2-CE1 3.69Å; P149-F184 HydrophobicContact CG-CD2 3.83Å; P149-F184 HydrophobicContact CG-CE2 3.6Å; P149-F184 HydrophobicContact CG-CG 4.47Å; P149-F184 HydrophobicContact CG-CZ 4.09Å; F184-R186 HydrophobicContact CD1-CB 4.4Å; F184-R186 HydrophobicContact CE1-CB 3.45Å; F184-R186 VanDerWaalsContact CE1-CB 3.45Å; F184-R186 HydrophobicContact CZ-CB 3.81Å; F184-V216 HydrophobicContact CB-CB 4.49Å; F184-V216 HydrophobicContact CD1-CB 4.04Å; F184-V216 HydrophobicContact CD1-CG2 4.1Å; F184-V216 PolarHBondContact N-O 2.61Å; F184-V216 VanDerWaalsContact N-O 3.09Å; F184-V216 PolarHBondContact O-N 3.05Å; F184-D259 HydrophobicContact CE2-CB 3.59Å; F184-D259 VanDerWaalsContact CE2-CG 3.48Å; F184-D259 HydrophobicContact CZ-CB 3.84Å; F184-D259 VanDerWaalsContact CZ-OD1 3.22Å; F184-D259 WeakPolarHBondContact CZ-OD1 3.1Å; F184-D259 VanDerWaalsContact CZ-OD2 3.27Å; F184-D259 WeakPolarHBondContact CZ-OD2 3.26Å; F184-R260 WeakPolarHBondContact CA-O 3.47Å
185R96.5Very high94.7Very high11 Ų1116.2 Ų16.24%0.0429%0.086CC..EExtended strand (participates in β ladder)trans-117.9135.1168.9178.4-88.3-72.8-175.5-6.1110.1V213 H214 L215 E242 S258 D259 R260 Y262R185-V213 HydrophobicContact CG-CG1 3.87Å; R185-H214 CarbonylContact C-O 3.52Å; R185-H214 VanDerWaalsContact CA-O 3.26Å; R185-H214 WeakPolarHBondContact CA-O 3.35Å; R185-L215 HydrophobicContact CB-CD2 4.11Å; R185-L215 HydrophobicContact CG-CD2 4.03Å; R185-E242 IonicContact CZ-OE2 3.85Å; R185-E242 VanDerWaalsContact CZ-OE2 3.27Å; R185-E242 IonicContact NE-OE2 2.96Å; R185-E242 PolarHBondContact NE-OE2 2.88Å; R185-E242 IonicContact NH2-OE2 3.05Å; R185-E242 PolarHBondContact NH2-OE2 2.83Å; R185-S258 PolarHBondContact NH1-O 3.48Å; R185-S258 PolarHBondContact NH1-OG 3.18Å; R185-S258 VanDerWaalsContact NH1-OG 3.15Å; R185-D259 CarbonylContact O-C 3.56Å; R185-D259 WeakPolarHBondContact O-CA 3.48Å; R185-R260 PolarHBondContact N-O 2.97Å; R185-R260 PolarHBondContact O-N 3.16Å; R185-Y262 HydrophobicContact CB-CE2 3.89Å; R185-Y262 VanDerWaalsContact CB-OH 3.31Å; R185-Y262 WeakPolarHBondContact CB-OH 2.95Å
186R96.5Very high93.8Very high3 Ų316.3 Ų16.31%0.0119%0.09CC..EExtended strand (participates in β ladder)trans-123.1122.7167.3171.6168.6-69.1169.52.5110.6F143 Q146 E147 F184 I188 V213 H214 L257 D259F143-R186 VanDerWaalsContact O-CD 3.3Å; F143-R186 WeakPolarHBondContact O-CD 3.22Å; F143-R186 PolarHBondContact O-NH1 3.27Å; Q146-R186 PolarHBondContact O-NH1 2.74Å; E147-R186 PolarHBondContact O-NH2 3Å; F184-R186 HydrophobicContact CD1-CB 4.4Å; F184-R186 HydrophobicContact CE1-CB 3.45Å; F184-R186 VanDerWaalsContact CE1-CB 3.45Å; F184-R186 HydrophobicContact CZ-CB 3.81Å; R186-I188 HydrophobicContact CG-CD1 4.19Å; R186-I188 HydrophobicContact CG-CG1 3.81Å; R186-V213 CarbonylContact O-C 3.4Å; R186-V213 WeakPolarHBondContact O-CA 3.17Å; R186-H214 HydrophobicContact CB-CB 4.33Å; R186-H214 PolarHBondContact N-O 3.48Å; R186-H214 PolarHBondContact O-N 2.79Å; R186-L257 HydrophobicContact CG-CD1 4.31Å; R186-L257 HydrophobicContact CG-CD2 4.2Å; R186-L257 HydrophobicContact CG-CG 3.98Å; R186-D259 WeakPolarHBondContact CB-OD1 3.34Å; R186-D259 WeakPolarHBondContact CG-OD1 3.47Å; R186-D259 IonicContact CZ-OD1 3.63Å; R186-D259 IonicContact CZ-OD2 3.63Å; R186-D259 IonicContact NE-OD1 2.79Å; R186-D259 PolarHBondContact NE-OD1 3.02Å; R186-D259 IonicContact NE-OD2 2.81Å; R186-D259 PolarHBondContact NE-OD2 2.86Å; R186-D259 IonicContact NH2-OD1 3.39Å; R186-D259 IonicContact NH2-OD2 3.65Å; R186-D259 PolarHBondContact NH2-OD2 2.87Å
187H96.9Very high92.8Very high16 Ų1618 Ų187%0.07410%0.098CC..EExtended strand (participates in β ladder)trans-102.2127.6169.7167.7-140.8000109E211 R212 V213 L245 L257 S258H187-E211 IonicContact CD2-OE1 3.04Å; H187-E211 IonicContact CE1-OE1 3.89Å; H187-E211 IonicContact NE2-OE1 3.52Å; H187-E211 PolarHBondContact NE2-OE1 2.91Å; H187-R212 PolarHBondContact CD2-O 3.44Å; H187-V213 HydrophobicContact CB-CG2 4.4Å; H187-L245 HydrophobicContact CB-CD1 3.96Å; H187-L257 CarbonylContact O-C 3.49Å; H187-L257 WeakPolarHBondContact O-CA 3.47Å; H187-S258 PolarHBondContact N-O 2.89Å; H187-S258 PolarHBondContact O-N 2.84Å
188I95.9Very high91.8Very high6 Ų620.6 Ų20.63%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-117.9115.6175-55.6175.5000107.5R186 E211 R212 S256 L257R186-I188 HydrophobicContact CG-CD1 4.19Å; R186-I188 HydrophobicContact CG-CG1 3.81Å; I188-E211 WeakPolarHBondContact O-CA 3.34Å; I188-R212 HydrophobicContact CB-CG 4.2Å; I188-R212 PolarHBondContact N-O 3.33Å; I188-R212 PolarHBondContact O-N 2.85Å; I188-S256 WeakPolarHBondContact CA-O 3.41Å; I188-L257 HydrophobicContact CD1-CD1 4.5Å; I188-L257 HydrophobicContact CG1-CD1 4.3Å; I188-L257 HydrophobicContact CG1-CG 4.27Å
189S94.9Very high91Very high7 Ų721.4 Ų21.45%0.04911%0.111CC..  trans-66.2147.8172.573.30000110K253 R254 G255 S256S189-K253 PolarHBondContact OG-O 3.47Å; S189-R254 WeakPolarHBondContact OG-CA 3.44Å; S189-G255 WeakPolarHBondContact O-CA 3.06Å; S189-G255 PolarHBondContact O-N 3.27Å; S189-G255 PolarHBondContact OG-N 3.28Å; S189-G255 VanDerWaalsContact OG-N 3.11Å; S189-S256 PolarHBondContact N-O 3.14Å; S189-S256 WeakPolarHBondContact OG-CB 3.49Å; S189-S256 PolarHBondContact OG-N 3.31Å; S189-S256 PolarHBondContact OG-O 3.47Å
190G92.9Very high90.3Very high16 Ų1617.9 Ų17.917%0.1659%0.093CC..  trans-163.6-158.1-174.200000113.6L209G190-L209 WeakPolarHBondContact CA-O 2.76Å
191Y90.5Very high89.5Confident38 Ų3819.7 Ų19.715%0.14910%0.099CC..BIsolated β-bridgetrans-80.5171.1170.2-64.8-96.4000110.6R37 L193 L209 N210 E211 R254R37-Y191 HydrophobicContact CB-CD1 4.13Å; R37-Y191 HydrophobicContact CB-CE1 3.56Å; R37-Y191 HydrophobicContact CG-CD1 4.1Å; R37-Y191 HydrophobicContact CG-CE1 3.82Å; R37-Y191 PolarHBondContact NE-OH 2.88Å; R37-Y191 VanDerWaalsContact NH2-CE2 3.32Å; R37-Y191 PolarHBondContact NH2-OH 3.15Å; R37-Y191 VanDerWaalsContact NH2-OH 3.11Å; R37-Y191 WeakPolarHBondContact O-CE1 2.99Å; Y191-L193 HydrophobicContact CD1-CD2 4.25Å; Y191-L193 HydrophobicContact CG-CD2 4.39Å; Y191-L193 HydrophobicContact CG-CG 4.36Å; Y191-L209 HydrophobicContact CD2-CB 4.3Å; Y191-L209 WeakPolarHBondContact CD2-O 3.31Å; Y191-L209 PolarHBondContact N-O 2.94Å; Y191-N210 CarbonylContact O-C 3.59Å; Y191-N210 VanDerWaalsContact O-CA 3.22Å; Y191-N210 WeakPolarHBondContact O-CA 3.18Å; Y191-N210 PolarHBondContact O-OD1 3.49Å; Y191-E211 PolarHBondContact O-N 3.22Å; Y191-R254 VanDerWaalsContact CD1-CZ 3.47Å; Y191-R254 VanDerWaalsContact CZ-CD 3.5Å; Y191-R254 PolarHBondContact OH-NH1 2.92Å
192L88.8Confident88.8Confident9 Ų918.4 Ų18.45%0.0479%0.091CC..  trans-124.157.5168.2-71.7178.7000107.6E211 A231 T232 N248L192-E211 HydrophobicContact CD2-CB 4.22Å; L192-A231 WeakPolarHBondContact CB-O 3.33Å; L192-A231 WeakPolarHBondContact CD2-O 3.32Å; L192-T232 WeakPolarHBondContact O-CA 3.26Å; L192-T232 WeakPolarHBondContact O-CB 3.43Å; L192-T232 PolarHBondContact O-N 2.71Å; L192-T232 PolarHBondContact O-OG1 3.12Å; L192-N248 HydrophobicContact CD1-CB 4.2Å; L192-N248 WeakPolarHBondContact CD1-OD1 3.3Å
193L88.2Confident88.1Confident2 Ų218.4 Ų18.41%0.019%0.091CC..  trans-71.7151.4176.4-56.3-174.6000109.6Y36 R37 L41 Y191 V195 V203 L206 L209 N210 A231 T232Y36-L193 HydrophobicContact CD1-CD1 4.25Å; Y36-L193 HydrophobicContact CD1-CD2 3.9Å; Y36-L193 HydrophobicContact CD1-CG 4.48Å; Y36-L193 HydrophobicContact CE1-CB 3.88Å; Y36-L193 HydrophobicContact CE1-CD1 4.23Å; Y36-L193 HydrophobicContact CE1-CD2 3.74Å; Y36-L193 HydrophobicContact CE1-CG 4.13Å; R37-L193 HydrophobicContact CG-CD1 4.17Å; R37-L193 HydrophobicContact CG-CD2 4.37Å; L41-L193 HydrophobicContact CD1-CD2 3.91Å; Y191-L193 HydrophobicContact CD1-CD2 4.25Å; Y191-L193 HydrophobicContact CG-CD2 4.39Å; Y191-L193 HydrophobicContact CG-CG 4.36Å; L193-V195 PolarHBondContact O-N 3.48Å; L193-V203 HydrophobicContact CD1-CG1 4.32Å; L193-L206 HydrophobicContact CB-CD1 3.57Å; L193-L206 HydrophobicContact CD1-CD1 3.78Å; L193-L206 HydrophobicContact CG-CD1 4.27Å; L193-L209 HydrophobicContact CD1-CB 4.39Å; L193-L209 HydrophobicContact CD1-CD1 4.18Å; L193-N210 VanDerWaalsContact CB-OD1 3.22Å; L193-N210 WeakPolarHBondContact CB-OD1 3.3Å; L193-N210 WeakPolarHBondContact CG-OD1 3.49Å; L193-N210 PolarHBondContact N-OD1 2.67Å; L193-N210 PolarHBondContact O-ND2 3.49Å; L193-A231 VanDerWaalsContact O-CA 3.27Å; L193-A231 WeakPolarHBondContact O-CA 3.4Å; L193-A231 WeakPolarHBondContact O-CB 3.44Å; L193-T232 VanDerWaalsContact C-OG1 3.28Å; L193-T232 PolarHBondContact O-N 2.85Å
194S86.1Confident87.6Confident18 Ų1818.8 Ų18.813%0.12610%0.096CC..  trans-68.7135.6179.4175.40000110.3Y36 G196 I199 T232Y36-S194 WeakPolarHBondContact OH-CB 3.23Å; Y36-S194 PolarHBondContact OH-N 2.62Å; Y36-S194 VanDerWaalsContact OH-N 3.09Å; S194-G196 PolarHBondContact OG-N 3.37Å; S194-I199 WeakPolarHBondContact O-CB 3.35Å; S194-I199 WeakPolarHBondContact O-CG2 3.14Å; S194-T232 WeakPolarHBondContact CA-OG1 3.15Å; S194-T232 PolarHBondContact N-OG1 2.84Å
195V84.5Confident87.1Confident3 Ų320.2 Ų20.22%0.01810%0.103CC..  trans-100.617.8174.8-61.50000112.1Q119 Y165 L193 V200 L206 Y207 A231 S282Q119-V195 PolarHBondContact NE2-O 2.93Å; Y165-V195 HydrophobicContact CD2-CG2 3.76Å; Y165-V195 HydrophobicContact CE2-CG2 3.74Å; L193-V195 PolarHBondContact O-N 3.48Å; V195-V200 HydrophobicContact CB-CG2 4.37Å; V195-V200 WeakPolarHBondContact O-CG2 3.08Å; V195-L206 HydrophobicContact CG1-CD2 4.12Å; V195-L206 HydrophobicContact CG1-CG 4.42Å; V195-Y207 HydrophobicContact CG1-CD1 4.47Å; V195-Y207 HydrophobicContact CG1-CE1 4.29Å; V195-A231 HydrophobicContact CB-CB 4.28Å; V195-A231 HydrophobicContact CG1-CB 3.91Å; V195-A231 HydrophobicContact CG2-CB 3.59Å; V195-S282 WeakPolarHBondContact CG2-OG 3.18Å
196G80.7Confident86.8Confident12 Ų1219.7 Ų19.712%0.12410%0.101CC..SBendtrans-63.7148.517000000111.3S194 R198 I199 V200S194-G196 PolarHBondContact OG-N 3.37Å; G196-R198 VanDerWaalsContact C-N 3.26Å; G196-R198 PolarHBondContact O-N 2.83Å; G196-I199 PolarHBondContact O-N 2.88Å; G196-V200 WeakPolarHBondContact O-CG2 3.39Å; G196-V200 PolarHBondContact O-N 3.05Å
197Q77.4Confident86.6Confident35 Ų3519.5 Ų19.516%0.16410%0.101CC..Hα-helixtrans-51.5-39.2-171.4-78.4-160.7-1.100114.5Y20 I199 R201Y20-Q197 HydrophobicContact CE2-CG 4.07Å; Y20-Q197 PolarHBondContact OH-NE2 3.04Å; Q197-I199 VanDerWaalsContact C-N 3.33Å; Q197-I199 PolarHBondContact O-N 3.24Å; Q197-R201 WeakPolarHBondContact O-CB 3.4Å; Q197-R201 WeakPolarHBondContact O-CD 3.36Å; Q197-R201 VanDerWaalsContact O-CG 3.23Å; Q197-R201 WeakPolarHBondContact O-CG 3.44Å; Q197-R201 PolarHBondContact O-N 2.84Å
198R77.9Confident86.4Confident55 Ų5519.3 Ų19.321%0.20810%0.101CC..Hα-helixtrans-62-39.5178-78.7-170.9-157.616912.5112.2S18 T19 I21 S22 G196 R202S18-R198 PolarHBondContact O-NH2 2.86Å; T19-R198 VanDerWaalsContact C-CZ 3.47Å; T19-R198 VanDerWaalsContact C-NE 3.3Å; T19-R198 VanDerWaalsContact CA-CZ 3.45Å; T19-R198 WeakPolarHBondContact O-CD 3.49Å; T19-R198 WeakPolarHBondContact O-CG 3.5Å; T19-R198 PolarHBondContact O-NE 3.35Å; I21-R198 PolarHBondContact O-NH2 3.49Å; S22-R198 VanDerWaalsContact OG-CD 3.3Å; S22-R198 WeakPolarHBondContact OG-CD 3.31Å; S22-R198 PolarHBondContact OG-NE 2.78Å; S22-R198 VanDerWaalsContact OG-NE 3.13Å; G196-R198 VanDerWaalsContact C-N 3.26Å; G196-R198 PolarHBondContact O-N 2.83Å; R198-R202 WeakPolarHBondContact O-CD 3.48Å; R198-R202 VanDerWaalsContact O-CG 3.23Å; R198-R202 WeakPolarHBondContact O-CG 3.17Å
199I81.9Confident86.2Confident23 Ų2320 Ų2012%0.11811%0.105CC..Hα-helixtrans-77.3-41.9-179.7-57.6-58.3000110.6W28 Y36 S194 G196 Q197 R201 R202 V203 L206W28-I199 HydrophobicContact CH2-CD1 3.83Å; W28-I199 HydrophobicContact CZ3-CD1 4.39Å; Y36-I199 HydrophobicContact CE1-CG2 3.84Å; S194-I199 WeakPolarHBondContact O-CB 3.35Å; S194-I199 WeakPolarHBondContact O-CG2 3.14Å; G196-I199 PolarHBondContact O-N 2.88Å; Q197-I199 VanDerWaalsContact C-N 3.33Å; Q197-I199 PolarHBondContact O-N 3.24Å; I199-R201 PolarHBondContact O-N 3.14Å; I199-R202 PolarHBondContact O-N 2.88Å; I199-V203 HydrophobicContact CG2-CB 4.26Å; I199-V203 HydrophobicContact CG2-CG2 3.7Å; I199-V203 PolarHBondContact O-N 2.6Å; I199-L206 HydrophobicContact CG2-CD1 4.36Å; I199-L206 HydrophobicContact CG2-CD2 4.29Å
200V82.6Confident86.1Confident0 Ų019.7 Ų19.70%010%0.103CC..Hα-helixtrans-57.4-34.4174.7179.80000111.2Q131 V132 V195 G196 R202 L206 Y207Q131-V200 HydrophobicContact CG-CG1 3.47Å; Q131-V200 VanDerWaalsContact CG-CG1 3.47Å; Q131-V200 PolarHBondContact NE2-O 2.82Å; V132-V200 HydrophobicContact CB-CG1 3.91Å; V132-V200 HydrophobicContact CG2-CG1 3.53Å; V195-V200 HydrophobicContact CB-CG2 4.37Å; V195-V200 WeakPolarHBondContact O-CG2 3.08Å; G196-V200 WeakPolarHBondContact O-CG2 3.39Å; G196-V200 PolarHBondContact O-N 3.05Å; V200-R202 PolarHBondContact O-N 3.32Å; V200-L206 HydrophobicContact CB-CD2 4.21Å; V200-L206 HydrophobicContact CG2-CD2 3.62Å; V200-Y207 WeakPolarHBondContact CG1-OH 3.29Å
201R81.6Confident86.2Confident45 Ų4519.5 Ų19.517%0.1710%0.098CC..THydrogen-bonded Turntrans-77-8.4177-69.4169.4-177.3-177.63.5114.2V132 K133 Q197 I199V132-R201 HydrophobicContact CG1-CG 3.89Å; K133-R201 HydrophobicContact CD-CG 4.13Å; Q197-R201 WeakPolarHBondContact O-CB 3.4Å; Q197-R201 WeakPolarHBondContact O-CD 3.36Å; Q197-R201 VanDerWaalsContact O-CG 3.23Å; Q197-R201 WeakPolarHBondContact O-CG 3.44Å; Q197-R201 PolarHBondContact O-N 2.84Å; I199-R201 PolarHBondContact O-N 3.14Å
202R82.1Confident86.4Confident47 Ų4718 Ų1818%0.1779%0.092CC..THydrogen-bonded Turntrans-119.9-34.5-169.6-71.6171.2175.4-178.52.5113.2W28 R198 I199 V200W28-R202 WeakPolarHBondContact CB-O 3.43Å; W28-R202 HydrophobicContact CD2-CB 3.92Å; W28-R202 HydrophobicContact CG-CB 3.9Å; W28-R202 PolarHBondContact N-O 3.34Å; R198-R202 WeakPolarHBondContact O-CD 3.48Å; R198-R202 VanDerWaalsContact O-CG 3.23Å; R198-R202 WeakPolarHBondContact O-CG 3.17Å; I199-R202 PolarHBondContact O-N 2.88Å; V200-R202 PolarHBondContact O-N 3.32Å
203V83.3Confident86.8Confident0 Ų017.7 Ų17.70%09%0.09CC..SBendtrans-98.5109.1-180-179.50000107.7W28 V33 Y36 Q131 L193 I199 L206 L209W28-V203 HydrophobicContact CE3-CG2 3.93Å; W28-V203 HydrophobicContact CZ3-CG2 4.17Å; V33-V203 HydrophobicContact CG1-CG1 4.19Å; Y36-V203 HydrophobicContact CD1-CG2 4.28Å; Q131-V203 PolarHBondContact NE2-O 3.37Å; L193-V203 HydrophobicContact CD1-CG1 4.32Å; I199-V203 HydrophobicContact CG2-CB 4.26Å; I199-V203 HydrophobicContact CG2-CG2 3.7Å; I199-V203 PolarHBondContact O-N 2.6Å; V203-L206 HydrophobicContact CB-CB 4.41Å; V203-L206 HydrophobicContact CB-CD1 4.17Å; V203-L206 HydrophobicContact CG1-CB 4.24Å; V203-L206 HydrophobicContact CG1-CD1 3.91Å; V203-L209 HydrophobicContact CG1-CD1 3.96Å
204S84.4Confident87.3Confident44 Ų4417.6 Ų17.631%0.3089%0.089SC..THydrogen-bonded Turntrans-57.7158168.8-57.10000110.5L206S204-L206 PolarHBondContact O-N 2.87Å
205N85Confident87.8Confident34 Ų3416.8 Ų16.818%0.1828%0.084CC..THydrogen-bonded Turntrans46.929.1174.367.5-48.7000115.5Y137 E141 Y207 S208 L209Y137-N205 HydrophobicContact CD1-CB 4.47Å; Y137-N205 HydrophobicContact CG-CB 4.07Å; E141-N205 PolarHBondContact OE1-ND2 2.92Å; N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.32Å; N205-S208 WeakPolarHBondContact O-CA 3.42Å; N205-S208 WeakPolarHBondContact O-CB 3.44Å; N205-S208 PolarHBondContact O-N 3.35Å; N205-L209 WeakPolarHBondContact O-CG 3.05Å; N205-L209 PolarHBondContact O-N 3.49Å
206L90.3Very high88.4Confident0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-58-44.5-168.517664.5000112L193 V195 I199 V200 V203 S204 S208 L209 N210L193-L206 HydrophobicContact CB-CD1 3.57Å; L193-L206 HydrophobicContact CD1-CD1 3.78Å; L193-L206 HydrophobicContact CG-CD1 4.27Å; V195-L206 HydrophobicContact CG1-CD2 4.12Å; V195-L206 HydrophobicContact CG1-CG 4.42Å; I199-L206 HydrophobicContact CG2-CD1 4.36Å; I199-L206 HydrophobicContact CG2-CD2 4.29Å; V200-L206 HydrophobicContact CB-CD2 4.21Å; V200-L206 HydrophobicContact CG2-CD2 3.62Å; V203-L206 HydrophobicContact CB-CB 4.41Å; V203-L206 HydrophobicContact CB-CD1 4.17Å; V203-L206 HydrophobicContact CG1-CB 4.24Å; V203-L206 HydrophobicContact CG1-CD1 3.91Å; S204-L206 PolarHBondContact O-N 2.87Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.38Å; L206-L209 PolarHBondContact O-N 2.79Å; L206-N210 PolarHBondContact O-N 2.91Å
207Y92.7Very high89.2Confident0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-68.8-29-179.6-49.8-74.2000112.5Q119 Q131 Y137 I163 V195 V200 N205 R212 V229 V284Q119-Y207 PolarHBondContact OE1-OH 2.87Å; Q131-Y207 HydrophobicContact CB-CE2 4.28Å; Q131-Y207 HydrophobicContact CG-CD2 4.43Å; Q131-Y207 HydrophobicContact CG-CE2 3.67Å; Y137-Y207 HydrophobicContact CE1-CD2 4.06Å; Y137-Y207 AromaticContact CZ-CD2 3.99Å; Y137-Y207 VanDerWaalsContact OH-CD2 3.28Å; Y137-Y207 WeakPolarHBondContact OH-CD2 3.41Å; I163-Y207 HydrophobicContact CD1-CD2 4.29Å; I163-Y207 HydrophobicContact CD1-CE2 3.67Å; I163-Y207 HydrophobicContact CG2-CE1 4.1Å; I163-Y207 HydrophobicContact CG2-CE2 4.34Å; V195-Y207 HydrophobicContact CG1-CD1 4.47Å; V195-Y207 HydrophobicContact CG1-CE1 4.29Å; V200-Y207 WeakPolarHBondContact CG1-OH 3.29Å; N205-Y207 VanDerWaalsContact C-N 3.32Å; N205-Y207 PolarHBondContact O-N 3.32Å; Y207-R212 WeakPolarHBondContact O-CD 3.19Å; Y207-V229 HydrophobicContact CD1-CG1 4.22Å; Y207-V284 HydrophobicContact CD1-CG2 4.37Å; Y207-V284 HydrophobicContact CG-CG2 4.39Å
208S92.6Very high90Very high12 Ų1219.5 Ų19.58%0.0849%0.093CC..Hα-helixtrans-76.5-24.4173.8-57.60000113Y137 F142 N205 L206 R212Y137-S208 WeakPolarHBondContact CD2-OG 3.44Å; Y137-S208 WeakPolarHBondContact CE2-OG 3.38Å; F142-S208 WeakPolarHBondContact CA-OG 3.37Å; F142-S208 PolarHBondContact N-OG 3.38Å; N205-S208 WeakPolarHBondContact O-CA 3.42Å; N205-S208 WeakPolarHBondContact O-CB 3.44Å; N205-S208 PolarHBondContact O-N 3.35Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.38Å; S208-R212 PolarHBondContact O-NH1 2.97Å; S208-R212 PolarHBondContact O-NH2 2.75Å
209L91.7Very high90.9Very high21 Ų2117.6 Ų17.611%0.119%0.086CC..Hα-helixtrans-77.5-35.8173.6-65.9174.4000111.7G190 Y191 L193 V203 N205 L206G190-L209 WeakPolarHBondContact CA-O 2.76Å; Y191-L209 HydrophobicContact CD2-CB 4.3Å; Y191-L209 WeakPolarHBondContact CD2-O 3.31Å; Y191-L209 PolarHBondContact N-O 2.94Å; L193-L209 HydrophobicContact CD1-CB 4.39Å; L193-L209 HydrophobicContact CD1-CD1 4.18Å; V203-L209 HydrophobicContact CG1-CD1 3.96Å; N205-L209 WeakPolarHBondContact O-CG 3.05Å; N205-L209 PolarHBondContact O-N 3.49Å; L206-L209 PolarHBondContact O-N 2.79Å
210N93.2Very high91.5Very high0 Ų023.1 Ų23.10%012%0.115CC..BIsolated β-bridgetrans-74.3152.7-177.2-82.81.9000113.2Y191 L193 L206 R212 V229 G230Y191-N210 CarbonylContact O-C 3.59Å; Y191-N210 VanDerWaalsContact O-CA 3.22Å; Y191-N210 WeakPolarHBondContact O-CA 3.18Å; Y191-N210 PolarHBondContact O-OD1 3.49Å; L193-N210 VanDerWaalsContact CB-OD1 3.22Å; L193-N210 WeakPolarHBondContact CB-OD1 3.3Å; L193-N210 WeakPolarHBondContact CG-OD1 3.49Å; L193-N210 PolarHBondContact N-OD1 2.67Å; L193-N210 PolarHBondContact O-ND2 3.49Å; L206-N210 PolarHBondContact O-N 2.91Å; N210-R212 PolarHBondContact O-NH1 3.12Å; N210-V229 HydrophobicContact CB-CG1 3.67Å; N210-G230 WeakPolarHBondContact CB-O 3.37Å; N210-G230 PolarHBondContact ND2-O 2.8Å
211E94.8Very high92Very high12 Ų1226 Ų266%0.05613%0.128CC..  trans-59.8135.3168.4179.8168.1-158.300109.9H187 I188 Y191 L192 G230 T247 N248H187-E211 IonicContact CD2-OE1 3.04Å; H187-E211 IonicContact CE1-OE1 3.89Å; H187-E211 IonicContact NE2-OE1 3.52Å; H187-E211 PolarHBondContact NE2-OE1 2.91Å; I188-E211 WeakPolarHBondContact O-CA 3.34Å; Y191-E211 PolarHBondContact O-N 3.22Å; L192-E211 HydrophobicContact CD2-CB 4.22Å; E211-G230 PolarHBondContact O-N 2.82Å; E211-T247 VanDerWaalsContact OE1-CA 3.27Å; E211-T247 WeakPolarHBondContact OE1-CA 3.45Å; E211-T247 WeakPolarHBondContact OE1-CB 3.32Å; E211-N248 PolarHBondContact OE1-N 2.89Å; E211-N248 VanDerWaalsContact OE2-CA 3.22Å; E211-N248 WeakPolarHBondContact OE2-CA 3.49Å; E211-N248 PolarHBondContact OE2-N 2.9Å
212R95.8Very high92.6Very high7 Ų724.7 Ų24.73%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-154.6154.9-173.262.5-167.5177.1-82.46.9113E141 F142 H187 I188 Y207 S208 N210 H214 A228 V229E141-R212 PolarHBondContact O-NH2 3.02Å; E141-R212 VanDerWaalsContact O-NH2 3.12Å; F142-R212 PolarHBondContact O-NE 3.35Å; F142-R212 PolarHBondContact O-NH2 3.37Å; H187-R212 PolarHBondContact CD2-O 3.44Å; I188-R212 HydrophobicContact CB-CG 4.2Å; I188-R212 PolarHBondContact N-O 3.33Å; I188-R212 PolarHBondContact O-N 2.85Å; Y207-R212 WeakPolarHBondContact O-CD 3.19Å; S208-R212 PolarHBondContact O-NH1 2.97Å; S208-R212 PolarHBondContact O-NH2 2.75Å; N210-R212 PolarHBondContact O-NH1 3.12Å; R212-H214 WeakPolarHBondContact CD-NE2 3.03Å; R212-H214 PolarHBondContact NE-NE2 3.33Å; R212-H214 VanDerWaalsContact NE-NE2 3.14Å; R212-A228 CarbonylContact C-O 3.57Å; R212-A228 WeakPolarHBondContact CA-O 3.22Å; R212-A228 WeakPolarHBondContact CB-O 3.46Å; R212-V229 HydrophobicContact CB-CB 4.42Å; R212-V229 HydrophobicContact CB-CG1 4.46Å; R212-V229 HydrophobicContact CB-CG2 4.02Å
213V97.1Very high93.2Very high1 Ų122.6 Ų22.61%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-124.1116.8177-178.50000107.9R185 R186 H187 S227 A228 I237 V239 L245 T247R185-V213 HydrophobicContact CG-CG1 3.87Å; R186-V213 CarbonylContact O-C 3.4Å; R186-V213 WeakPolarHBondContact O-CA 3.17Å; H187-V213 HydrophobicContact CB-CG2 4.4Å; V213-S227 CarbonylContact O-C 3.58Å; V213-S227 WeakPolarHBondContact O-CA 3.31Å; V213-A228 PolarHBondContact N-O 3.18Å; V213-A228 PolarHBondContact O-N 2.8Å; V213-I237 HydrophobicContact CB-CG2 4.34Å; V213-I237 HydrophobicContact CG2-CB 4.29Å; V213-I237 HydrophobicContact CG2-CD1 3.96Å; V213-I237 HydrophobicContact CG2-CG2 4.03Å; V213-V239 HydrophobicContact CG1-CG2 4.14Å; V213-L245 HydrophobicContact CG1-CD2 3.95Å; V213-L245 HydrophobicContact CG2-CD1 4.46Å; V213-L245 HydrophobicContact CG2-CD2 3.98Å; V213-T247 HydrophobicContact CG2-CG2 3.9Å
214H97.4Very high93.8Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-93.8123.6174.6-53.6-76.1000108.9F142 F143 R185 R186 R212 V216 S227F142-H214 AromaticContact CD1-CE1 3.78Å; F142-H214 AromaticContact CE1-CE1 3.51Å; F142-H214 AromaticContact CE1-ND1 3.8Å; F142-H214 AromaticContact CZ-CE1 3.67Å; F142-H214 PolarHBondContact O-CE1 3.22Å; F142-H214 PolarHBondContact O-NE2 2.82Å; F142-H214 VanDerWaalsContact O-NE2 3.11Å; F143-H214 HydrophobicContact CD1-CB 4.45Å; F143-H214 AromaticContact CD1-CE1 3.89Å; F143-H214 AromaticContact CD1-CG 3.89Å; F143-H214 AromaticContact CD1-ND1 3.71Å; F143-H214 HydrophobicContact CE1-CB 4.37Å; F143-H214 AromaticContact CE1-ND1 3.63Å; R185-H214 CarbonylContact C-O 3.52Å; R185-H214 VanDerWaalsContact CA-O 3.26Å; R185-H214 WeakPolarHBondContact CA-O 3.35Å; R186-H214 HydrophobicContact CB-CB 4.33Å; R186-H214 PolarHBondContact N-O 3.48Å; R186-H214 PolarHBondContact O-N 2.79Å; R212-H214 WeakPolarHBondContact CD-NE2 3.03Å; R212-H214 PolarHBondContact NE-NE2 3.33Å; R212-H214 VanDerWaalsContact NE-NE2 3.14Å; H214-V216 HydrophobicContact CB-CG2 3.99Å; H214-S227 WeakPolarHBondContact ND1-CB 3.46Å; H214-S227 PolarHBondContact ND1-OG 2.79Å
215L97.8Very high94.4Very high2 Ų220.5 Ų20.51%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-96.5126159.1-60179.8000107.1W180 I182 R185 S225 L226 V239 F241 L274W180-L215 HydrophobicContact CH2-CB 3.91Å; I182-L215 HydrophobicContact CD1-CD1 4.38Å; I182-L215 HydrophobicContact CG2-CB 4.24Å; I182-L215 HydrophobicContact CG2-CD2 4.43Å; R185-L215 HydrophobicContact CB-CD2 4.11Å; R185-L215 HydrophobicContact CG-CD2 4.03Å; L215-S225 CarbonylContact O-C 3.6Å; L215-S225 WeakPolarHBondContact O-CA 3.29Å; L215-S225 WeakPolarHBondContact O-CB 3.35Å; L215-L226 HydrophobicContact CD1-CD2 4.46Å; L215-L226 PolarHBondContact N-O 3.05Å; L215-L226 PolarHBondContact O-N 3.39Å; L215-V239 HydrophobicContact CD1-CG1 4.45Å; L215-V239 HydrophobicContact CD2-CG1 4.34Å; L215-F241 HydrophobicContact CD1-CE1 4.3Å; L215-F241 HydrophobicContact CD1-CZ 3.89Å; L215-F241 HydrophobicContact CD2-CE2 4.37Å; L215-F241 HydrophobicContact CD2-CZ 3.89Å; L215-L274 HydrophobicContact CD1-CB 4.42Å; L215-L274 HydrophobicContact CD1-CD1 4.29Å
216V97.1Very high95.1Very high0 Ų018.9 Ų18.90%010%0.098CC..EExtended strand (participates in β ladder)trans-128.7139.6-172.2-175.40000109L148 I151 V183 F184 H214 F223L148-V216 HydrophobicContact CD1-CG1 4.25Å; L148-V216 HydrophobicContact CD2-CG2 4.19Å; I151-V216 HydrophobicContact CD1-CG1 3.22Å; V183-V216 WeakPolarHBondContact CG2-O 3.39Å; V183-V216 PolarHBondContact N-O 3.48Å; F184-V216 HydrophobicContact CB-CB 4.49Å; F184-V216 HydrophobicContact CD1-CB 4.04Å; F184-V216 HydrophobicContact CD1-CG2 4.1Å; F184-V216 PolarHBondContact N-O 2.61Å; F184-V216 VanDerWaalsContact N-O 3.09Å; F184-V216 PolarHBondContact O-N 3.05Å; H214-V216 HydrophobicContact CB-CG2 3.99Å; V216-F223 HydrophobicContact CG1-CD2 4.34Å; V216-F223 HydrophobicContact CG1-CE2 3.64Å
217G96.1Very high95.4Very high0 Ų018.9 Ų18.90%010%0.098CC..EExtended strand (participates in β ladder)trans-168.1-163.3-169.700000114.1E181 F224E181-G217 CarbonylContact O-C 3.54Å; E181-G217 WeakPolarHBondContact O-CA 3.43Å; G217-F224 PolarHBondContact N-O 3.32Å; G217-F224 PolarHBondContact O-N 2.92Å
218Q95.6Very high95.6Very high107 Ų10718.9 Ų18.950%0.510%0.098SC..EExtended strand (participates in β ladder)trans-128135.4173.9-60.8-168.926.200111.5W180 E181 G222W180-Q218 CarbonylContact C-O 3.6Å; W180-Q218 VanDerWaalsContact CA-O 3.28Å; W180-Q218 WeakPolarHBondContact CA-O 3.45Å; W180-Q218 VanDerWaalsContact CB-O 3.23Å; W180-Q218 WeakPolarHBondContact CB-O 3.11Å; E181-Q218 PolarHBondContact N-O 3.25Å; E181-Q218 PolarHBondContact O-N 3Å; Q218-G222 CarbonylContact C-O 3.53Å; Q218-G222 WeakPolarHBondContact CA-O 3.07Å
219W95.9Very high95.8Very high15 Ų1518.3 Ų18.36%0.0579%0.094CC..EExtended strand (participates in β ladder)trans-115-173.9170.781.3-52.9000109.9P109 V110 T178 W180 H221 G222 F224 F287 E288 A289P109-W219 HydrophobicContact CB-CZ3 4.38Å; V110-W219 HydrophobicContact CG2-CE3 4.31Å; V110-W219 HydrophobicContact CG2-CH2 3.51Å; V110-W219 HydrophobicContact CG2-CZ3 3.34Å; T178-W219 HydrophobicContact CG2-CB 3.94Å; T178-W219 HydrophobicContact CG2-CD2 4.43Å; T178-W219 HydrophobicContact CG2-CE3 4.02Å; T178-W219 HydrophobicContact CG2-CG 4.46Å; W180-W219 HydrophobicContact CB-CB 3.79Å; W219-H221 AromaticContact CH2-CD2 3.64Å; W219-H221 HydrophobicContact CZ2-CB 3.84Å; W219-H221 AromaticContact CZ2-CD2 3.63Å; W219-H221 PolarHBondContact O-N 3.33Å; W219-G222 VanDerWaalsContact CD1-O 3.3Å; W219-G222 PolarHBondContact N-O 3.2Å; W219-G222 PolarHBondContact O-N 2.95Å; W219-F224 HydrophobicContact CB-CB 4.01Å; W219-F224 HydrophobicContact CB-CD2 3.99Å; W219-F224 HydrophobicContact CB-CG 4.27Å; W219-F224 AromaticContact CD1-CD2 3.7Å; W219-F224 AromaticContact CD2-CD2 3.73Å; W219-F224 HydrophobicContact CD2-CD2 3.73Å; W219-F224 HydrophobicContact CD2-CE2 4.26Å; W219-F224 AromaticContact CE2-CD2 3.97Å; W219-F224 HydrophobicContact CE3-CD2 4.35Å; W219-F224 HydrophobicContact CE3-CE2 4.49Å; W219-F224 HydrophobicContact CG-CB 4.03Å; W219-F224 AromaticContact CG-CD2 3.55Å; W219-F224 HydrophobicContact CG-CD2 3.55Å; W219-F224 HydrophobicContact CG-CE2 4.49Å; W219-F224 HydrophobicContact CG-CG 4.19Å; W219-F224 AromaticContact NE1-CD2 3.96Å; W219-F287 HydrophobicContact CH2-CD2 4.25Å; W219-F287 HydrophobicContact CH2-CE2 4.43Å; W219-F287 AromaticContact CZ2-CD2 3.69Å; W219-F287 HydrophobicContact CZ2-CD2 3.69Å; W219-F287 HydrophobicContact CZ2-CE2 4.24Å; W219-E288 WeakPolarHBondContact CZ2-O 3.15Å; W219-E288 PolarHBondContact NE1-O 3.16Å; W219-A289 HydrophobicContact CH2-CB 4.47Å; W219-A289 HydrophobicContact CZ2-CB 3.91Å
220L94.2Very high95.8Very high138 Ų13817.3 Ų17.372%0.7239%0.089SC*.THydrogen-bonded Turntrans-46.2-34.8-178-178.761.4000114.6
221H94Very high95.5Very high60 Ų6017.5 Ų17.528%0.2789%0.09SC..THydrogen-bonded Turntrans-109.821.6-176.3-59.2-69.7000114.3W219 E288 I312W219-H221 AromaticContact CH2-CD2 3.64Å; W219-H221 HydrophobicContact CZ2-CB 3.84Å; W219-H221 AromaticContact CZ2-CD2 3.63Å; W219-H221 PolarHBondContact O-N 3.33Å; H221-E288 VanDerWaalsContact O-CD 3.27Å; H221-E288 VanDerWaalsContact O-CG 3.23Å; H221-E288 WeakPolarHBondContact O-CG 3.05Å; H221-I312 WeakPolarHBondContact NE2-CD1 3.49Å
222G93.7Very high94.6Very high19 Ų1917.5 Ų17.520%0.1969%0.091CC..EExtended strand (participates in β ladder)trans105.6-127.1175.400000112.4Q218 W219Q218-G222 CarbonylContact C-O 3.53Å; Q218-G222 WeakPolarHBondContact CA-O 3.07Å; W219-G222 VanDerWaalsContact CD1-O 3.3Å; W219-G222 PolarHBondContact N-O 3.2Å; W219-G222 PolarHBondContact O-N 2.95Å
223F94.9Very high93.4Very high2 Ų217.7 Ų17.71%0.0099%0.093CC..EExtended strand (participates in β ladder)trans-62.7136.4-173.2170.6-101.3000112.9F143 L148 I151 L153 K156 L159 V216 V286 F287 E288F143-F223 HydrophobicContact CE2-CZ 4.3Å; F143-F223 AromaticContact CZ-CZ 3.9Å; F143-F223 HydrophobicContact CZ-CZ 3.9Å; L148-F223 HydrophobicContact CD1-CE2 4.11Å; L148-F223 HydrophobicContact CD1-CZ 4.46Å; I151-F223 HydrophobicContact CD1-CD2 4Å; I151-F223 HydrophobicContact CD1-CE2 4.13Å; I151-F223 HydrophobicContact CG1-CD2 4.48Å; I151-F223 HydrophobicContact CG2-CD2 3.51Å; I151-F223 HydrophobicContact CG2-CE2 3.84Å; I151-F223 HydrophobicContact CG2-CG 4.39Å; L153-F223 HydrophobicContact CD2-CD1 3.98Å; L153-F223 HydrophobicContact CD2-CD2 4.06Å; L153-F223 HydrophobicContact CD2-CE1 3.79Å; L153-F223 HydrophobicContact CD2-CE2 3.85Å; L153-F223 HydrophobicContact CD2-CG 4.1Å; L153-F223 HydrophobicContact CD2-CZ 3.72Å; K156-F223 HydrophobicContact CG-CB 4.44Å; L159-F223 HydrophobicContact CD2-CD1 3.85Å; V216-F223 HydrophobicContact CG1-CD2 4.34Å; V216-F223 HydrophobicContact CG1-CE2 3.64Å; F223-V286 HydrophobicContact CE1-CB 4.14Å; F223-V286 HydrophobicContact CE1-CG1 4Å; F223-V286 VanDerWaalsContact CE1-O 3.27Å; F223-V286 WeakPolarHBondContact CE1-O 3.49Å; F223-F287 CarbonylContact O-C 3.5Å; F223-F287 WeakPolarHBondContact O-CA 3.34Å; F223-E288 HydrophobicContact CB-CB 4.13Å; F223-E288 PolarHBondContact N-OE2 3.4Å; F223-E288 PolarHBondContact O-N 3.3Å
224F96.2Very high91.8Very high0 Ų017.7 Ų17.70%09%0.093CC..EExtended strand (participates in β ladder)trans-140.5143.1168-156.3-77.9000110.8P177 T178 W180 G217 W219 L285 V286 F287P177-F224 HydrophobicContact CB-CZ 4.2Å; P177-F224 HydrophobicContact CG-CE1 3.41Å; P177-F224 VanDerWaalsContact CG-CE1 3.41Å; P177-F224 HydrophobicContact CG-CZ 3.35Å; T178-F224 HydrophobicContact CG2-CD1 4.43Å; T178-F224 HydrophobicContact CG2-CD2 3.81Å; T178-F224 HydrophobicContact CG2-CE1 4.3Å; T178-F224 HydrophobicContact CG2-CE2 3.64Å; T178-F224 HydrophobicContact CG2-CG 4.24Å; T178-F224 HydrophobicContact CG2-CZ 3.92Å; W180-F224 HydrophobicContact CD2-CB 4.49Å; W180-F224 HydrophobicContact CD2-CD1 4.02Å; W180-F224 HydrophobicContact CD2-CG 4.46Å; W180-F224 HydrophobicContact CE3-CB 3.73Å; W180-F224 AromaticContact CE3-CD1 3.69Å; W180-F224 HydrophobicContact CE3-CD1 3.69Å; W180-F224 HydrophobicContact CE3-CG 4.05Å; W180-F224 HydrophobicContact CH2-CD1 4.07Å; W180-F224 HydrophobicContact CZ2-CD1 4.39Å; W180-F224 HydrophobicContact CZ3-CB 4.17Å; W180-F224 AromaticContact CZ3-CD1 3.71Å; W180-F224 HydrophobicContact CZ3-CD1 3.71Å; W180-F224 HydrophobicContact CZ3-CG 4.39Å; W180-F224 WeakPolarHBondContact CZ3-O 3.27Å; G217-F224 PolarHBondContact N-O 3.32Å; G217-F224 PolarHBondContact O-N 2.92Å; W219-F224 HydrophobicContact CB-CB 4.01Å; W219-F224 HydrophobicContact CB-CD2 3.99Å; W219-F224 HydrophobicContact CB-CG 4.27Å; W219-F224 AromaticContact CD1-CD2 3.7Å; W219-F224 AromaticContact CD2-CD2 3.73Å; W219-F224 HydrophobicContact CD2-CD2 3.73Å; W219-F224 HydrophobicContact CD2-CE2 4.26Å; W219-F224 AromaticContact CE2-CD2 3.97Å; W219-F224 HydrophobicContact CE3-CD2 4.35Å; W219-F224 HydrophobicContact CE3-CE2 4.49Å; W219-F224 HydrophobicContact CG-CB 4.03Å; W219-F224 AromaticContact CG-CD2 3.55Å; W219-F224 HydrophobicContact CG-CD2 3.55Å; W219-F224 HydrophobicContact CG-CE2 4.49Å; W219-F224 HydrophobicContact CG-CG 4.19Å; W219-F224 AromaticContact NE1-CD2 3.96Å; F224-L285 HydrophobicContact CE1-CD2 4.25Å; F224-L285 HydrophobicContact CZ-CD1 4.5Å; F224-V286 CarbonylContact C-O 3.58Å; F224-F287 HydrophobicContact CB-CB 4.33Å; F224-F287 HydrophobicContact CD2-CB 3.22Å; F224-F287 HydrophobicContact CD2-CD2 4.44Å; F224-F287 AromaticContact CD2-CG 3.87Å; F224-F287 HydrophobicContact CD2-CG 3.87Å; F224-F287 HydrophobicContact CE2-CB 3.46Å; F224-F287 VanDerWaalsContact CE2-CB 3.46Å; F224-F287 AromaticContact CE2-CD1 3.91Å; F224-F287 HydrophobicContact CE2-CD1 3.91Å; F224-F287 HydrophobicContact CE2-CD2 4.11Å; F224-F287 AromaticContact CE2-CG 3.57Å; F224-F287 HydrophobicContact CE2-CG 3.57Å; F224-F287 HydrophobicContact CG-CB 3.82Å; F224-F287 HydrophobicContact CZ-CB 4.22Å; F224-F287 HydrophobicContact CZ-CD1 4.14Å; F224-F287 HydrophobicContact CZ-CG 4.25Å
225S97.2Very high90.3Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-142.9143.7171.367.70000112.2L215 L285 V286L215-S225 CarbonylContact O-C 3.6Å; L215-S225 WeakPolarHBondContact O-CA 3.29Å; L215-S225 WeakPolarHBondContact O-CB 3.35Å; S225-L285 WeakPolarHBondContact O-CA 3.47Å; S225-V286 PolarHBondContact N-O 3.35Å; S225-V286 PolarHBondContact O-N 3.3Å; S225-V286 VanDerWaalsContact O-N 3.16Å; S225-V286 WeakPolarHBondContact OG-CB 3.47Å; S225-V286 PolarHBondContact OG-O 3.39Å
226L98.3Very high89.7Confident0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-121.2122.6168.6179.4150.2000107.9P113 F174 W180 L215 L274 I283 L285P113-L226 HydrophobicContact CB-CD1 4Å; F174-L226 HydrophobicContact CD2-CD2 3.77Å; F174-L226 HydrophobicContact CE2-CD2 3.92Å; W180-L226 HydrophobicContact CH2-CB 3.9Å; W180-L226 HydrophobicContact CZ2-CB 4.08Å; L215-L226 HydrophobicContact CD1-CD2 4.46Å; L215-L226 PolarHBondContact N-O 3.05Å; L215-L226 PolarHBondContact O-N 3.39Å; L226-L274 HydrophobicContact CD1-CD1 4.02Å; L226-I283 HydrophobicContact CD1-CG2 4.27Å; L226-I283 HydrophobicContact CD2-CD1 4.19Å; L226-I283 HydrophobicContact CG-CG2 4.03Å; L226-L285 HydrophobicContact CB-CD2 3.98Å; L226-L285 HydrophobicContact CD1-CD2 3.97Å; L226-L285 HydrophobicContact CG-CD2 3.94Å
227S97.7Very high89.6Confident0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-116.3115.3-178-510000110.3F142 V213 H214 I283 V284F142-S227 WeakPolarHBondContact CE1-OG 3.34Å; V213-S227 CarbonylContact O-C 3.58Å; V213-S227 WeakPolarHBondContact O-CA 3.31Å; H214-S227 WeakPolarHBondContact ND1-CB 3.46Å; H214-S227 PolarHBondContact ND1-OG 2.79Å; S227-I283 WeakPolarHBondContact O-CA 3.22Å; S227-V284 WeakPolarHBondContact CB-O 3.19Å; S227-V284 PolarHBondContact N-O 2.96Å; S227-V284 PolarHBondContact O-N 3.08Å
228A97.1Very high89.5Confident1 Ų122.8 Ų22.81%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-84.8114.2172.400000109.3F174 R212 V213 I237 F277 I283F174-A228 HydrophobicContact CE1-CB 4.01Å; F174-A228 HydrophobicContact CZ-CB 3.93Å; R212-A228 CarbonylContact C-O 3.57Å; R212-A228 WeakPolarHBondContact CA-O 3.22Å; R212-A228 WeakPolarHBondContact CB-O 3.46Å; V213-A228 PolarHBondContact N-O 3.18Å; V213-A228 PolarHBondContact O-N 2.8Å; A228-I237 HydrophobicContact CB-CG2 3.65Å; A228-I237 WeakPolarHBondContact O-CD1 3.27Å; A228-F277 HydrophobicContact CB-CE1 3.72Å; A228-F277 HydrophobicContact CB-CZ 3.54Å; A228-I283 HydrophobicContact CB-CD1 4.21Å
229V95.4Very high89.5Confident0 Ų017.7 Ų17.70%010%0.101CC..EExtended strand (participates in β ladder)trans-108.4119.5-177.2-1740000109.7F142 Y207 N210 R212 S281 S282 V284F142-V229 HydrophobicContact CE2-CG2 4.28Å; F142-V229 HydrophobicContact CZ-CG2 4.33Å; Y207-V229 HydrophobicContact CD1-CG1 4.22Å; N210-V229 HydrophobicContact CB-CG1 3.67Å; R212-V229 HydrophobicContact CB-CB 4.42Å; R212-V229 HydrophobicContact CB-CG1 4.46Å; R212-V229 HydrophobicContact CB-CG2 4.02Å; V229-S281 WeakPolarHBondContact O-CB 3.36Å; V229-S282 PolarHBondContact N-O 2.88Å; V229-S282 PolarHBondContact O-N 3.29Å; V229-S282 VanDerWaalsContact O-N 3.17Å; V229-V284 HydrophobicContact CG2-CG2 4.01Å
230G92.4Very high89.5Confident0 Ų020.3 Ų20.30%012%0.118CC..  trans-72.1160.7175.300000111.7N210 E211N210-G230 WeakPolarHBondContact CB-O 3.37Å; N210-G230 PolarHBondContact ND2-O 2.8Å; E211-G230 PolarHBondContact O-N 2.82Å
231A87.1Confident89.6Confident3 Ų315.8 Ų15.83%0.0259%0.093CC..  trans-145.1-173177.300000111.6L192 L193 V195 N233 V234 G280L192-A231 WeakPolarHBondContact CB-O 3.33Å; L192-A231 WeakPolarHBondContact CD2-O 3.32Å; L193-A231 VanDerWaalsContact O-CA 3.27Å; L193-A231 WeakPolarHBondContact O-CA 3.4Å; L193-A231 WeakPolarHBondContact O-CB 3.44Å; V195-A231 HydrophobicContact CB-CB 4.28Å; V195-A231 HydrophobicContact CG1-CB 3.91Å; V195-A231 HydrophobicContact CG2-CB 3.59Å; A231-N233 PolarHBondContact O-N 2.98Å; A231-V234 HydrophobicContact CB-CG2 4.1Å; A231-V234 VanDerWaalsContact O-CB 3.3Å; A231-V234 WeakPolarHBondContact O-CB 3.26Å; A231-V234 WeakPolarHBondContact O-CG2 3.48Å; A231-V234 PolarHBondContact O-N 2.92Å; A231-V234 VanDerWaalsContact O-N 3.16Å; A231-G280 WeakPolarHBondContact CB-O 3.27Å
232T75.8Confident89.6Confident13 Ų1313.1 Ų13.18%0.088%0.08CC..THydrogen-bonded Turntrans-59.1140.5174.9-49.30000110.6F16 L41 L192 L193 S194 V234F16-T232 HydrophobicContact CZ-CG2 4.46Å; L41-T232 HydrophobicContact CB-CG2 4.46Å; L41-T232 HydrophobicContact CD2-CG2 4.19Å; L192-T232 WeakPolarHBondContact O-CA 3.26Å; L192-T232 WeakPolarHBondContact O-CB 3.43Å; L192-T232 PolarHBondContact O-N 2.71Å; L192-T232 PolarHBondContact O-OG1 3.12Å; L193-T232 VanDerWaalsContact C-OG1 3.28Å; L193-T232 PolarHBondContact O-N 2.85Å; S194-T232 WeakPolarHBondContact CA-OG1 3.15Å; S194-T232 PolarHBondContact N-OG1 2.84Å; T232-V234 PolarHBondContact O-N 2.9Å
233N71.5Confident89.5Confident10 Ų1018.3 Ų18.35%0.05310%0.103CC..THydrogen-bonded Turntrans71.1-5.7-175.9-61.9-20.4000115S45 W48 A231 G235 F279S45-N233 PolarHBondContact OG-N 2.87Å; W48-N233 HydrophobicContact CD2-CB 4.27Å; W48-N233 HydrophobicContact CG-CB 4.07Å; A231-N233 PolarHBondContact O-N 2.98Å; N233-G235 PolarHBondContact O-N 3.34Å; N233-G235 VanDerWaalsContact O-N 3.12Å; N233-F279 VanDerWaalsContact C-CB 3.46Å; N233-F279 HydrophobicContact CB-CB 4.42Å; N233-F279 HydrophobicContact CB-CD1 4.2Å; N233-F279 HydrophobicContact CB-CG 4.46Å; N233-F279 WeakPolarHBondContact O-CB 3.14Å
234V62.6Low89.4Confident2 Ų223.5 Ų23.51%0.01213%0.131CC..  trans-65.8114.7173-173.60000109.6A231 T232 N248 F277 F279 G280A231-V234 HydrophobicContact CB-CG2 4.1Å; A231-V234 VanDerWaalsContact O-CB 3.3Å; A231-V234 WeakPolarHBondContact O-CB 3.26Å; A231-V234 WeakPolarHBondContact O-CG2 3.48Å; A231-V234 PolarHBondContact O-N 2.92Å; A231-V234 VanDerWaalsContact O-N 3.16Å; T232-V234 PolarHBondContact O-N 2.9Å; V234-N248 PolarHBondContact O-ND2 3.03Å; V234-F277 HydrophobicContact CG1-CD1 4.45Å; V234-F279 WeakPolarHBondContact CG2-O 3.31Å; V234-G280 WeakPolarHBondContact CG2-O 3.34Å
235G65.4Low89.3Confident8 Ų824 Ų248%0.08213%0.134CC..  trans-62-52.7174.300000110.9N233 N248N233-G235 PolarHBondContact O-N 3.34Å; N233-G235 VanDerWaalsContact O-N 3.12Å; G235-N248 VanDerWaalsContact O-CB 3.31Å; G235-N248 WeakPolarHBondContact O-CB 3.43Å; G235-N248 PolarHBondContact O-ND2 3.29Å
236S86.4Confident89.1Confident32 Ų3230.8 Ų30.822%0.22416%0.16CC..  trans-163.6153.9-176.8-39.10000110.5T247 K278S236-T247 WeakPolarHBondContact CA-OG1 3.27Å; S236-K278 PolarHBondContact O-N 2.92Å
237I93.8Very high88.8Confident6 Ų631.3 Ų31.33%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-90.6126.3160.7-54.9164.1000107.2V213 A228 T247 F277V213-I237 HydrophobicContact CB-CG2 4.34Å; V213-I237 HydrophobicContact CG2-CB 4.29Å; V213-I237 HydrophobicContact CG2-CD1 3.96Å; V213-I237 HydrophobicContact CG2-CG2 4.03Å; A228-I237 HydrophobicContact CB-CG2 3.65Å; A228-I237 WeakPolarHBondContact O-CD1 3.27Å; I237-T247 HydrophobicContact CB-CG2 4.05Å; I237-T247 HydrophobicContact CD1-CG2 4.44Å; I237-T247 PolarHBondContact N-OG1 2.79Å; I237-T247 PolarHBondContact O-OG1 3.07Å; I237-F277 HydrophobicContact CD1-CE1 4.46Å; I237-F277 HydrophobicContact CG1-CD1 3.88Å; I237-F277 HydrophobicContact CG1-CE1 3.88Å; I237-F277 HydrophobicContact CG2-CE1 4.33Å
238N94.5Very high88.4Confident62 Ų6232 Ų3233%0.33217%0.167SC..EExtended strand (participates in β ladder)trans-109.4139.1174.3-176.439.5000109.9F174 G275 D276F174-N238 WeakPolarHBondContact CZ-O 3.36Å; N238-G275 WeakPolarHBondContact O-CA 3.47Å; N238-D276 PolarHBondContact N-O 3.44Å; N238-D276 PolarHBondContact ND2-OD2 3.34Å; N238-D276 PolarHBondContact O-N 2.9Å
239V96.5Very high88Confident1 Ų136.7 Ų36.71%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-124122.3172.9172.60000106.6F174 V213 L215 F241 E242 L245 L274F174-V239 HydrophobicContact CZ-CG2 4.32Å; V213-V239 HydrophobicContact CG1-CG2 4.14Å; L215-V239 HydrophobicContact CD1-CG1 4.45Å; L215-V239 HydrophobicContact CD2-CG1 4.34Å; V239-F241 HydrophobicContact CG1-CD1 3.7Å; V239-F241 HydrophobicContact CG1-CD2 4.22Å; V239-F241 HydrophobicContact CG1-CE1 3.31Å; V239-F241 HydrophobicContact CG1-CE2 3.91Å; V239-F241 HydrophobicContact CG1-CG 4.16Å; V239-F241 HydrophobicContact CG1-CZ 3.46Å; V239-F241 VanDerWaalsContact CG1-CZ 3.46Å; V239-F241 PolarHBondContact O-N 3.33Å; V239-E242 HydrophobicContact CB-CB 3.94Å; V239-E242 HydrophobicContact CB-CG 4.17Å; V239-E242 HydrophobicContact CG1-CB 4.02Å; V239-E242 HydrophobicContact CG1-CG 3.79Å; V239-E242 PolarHBondContact O-N 3.41Å; V239-L245 HydrophobicContact CB-CD2 4.11Å; V239-L245 HydrophobicContact CG2-CD2 3.81Å; V239-L274 CarbonylContact C-O 3.57Å; V239-L274 WeakPolarHBondContact CA-O 3.46Å
240V95.8Very high87.5Confident70 Ų7044.5 Ų44.542%0.42422%0.223SC..THydrogen-bonded Turntrans-56.6-29.9-163.5170.50000113.5K273 L274V240-K273 HydrophobicContact CG2-CD 4.5Å; V240-K273 HydrophobicContact CG2-CG 4.24Å; V240-L274 PolarHBondContact N-O 2.84Å
241F95.1Very high87.3Confident43 Ų4348 Ų4819%0.18926%0.258CS..THydrogen-bonded Turntrans-107.115.2-175.254.7-84.5000112.9I182 L215 V239 Y262 R266 L274I182-F241 HydrophobicContact CD1-CZ 3.99Å; L215-F241 HydrophobicContact CD1-CE1 4.3Å; L215-F241 HydrophobicContact CD1-CZ 3.89Å; L215-F241 HydrophobicContact CD2-CE2 4.37Å; L215-F241 HydrophobicContact CD2-CZ 3.89Å; V239-F241 HydrophobicContact CG1-CD1 3.7Å; V239-F241 HydrophobicContact CG1-CD2 4.22Å; V239-F241 HydrophobicContact CG1-CE1 3.31Å; V239-F241 HydrophobicContact CG1-CE2 3.91Å; V239-F241 HydrophobicContact CG1-CG 4.16Å; V239-F241 HydrophobicContact CG1-CZ 3.46Å; V239-F241 VanDerWaalsContact CG1-CZ 3.46Å; V239-F241 PolarHBondContact O-N 3.33Å; F241-Y262 HydrophobicContact CD2-CE1 4.19Å; F241-Y262 HydrophobicContact CE2-CE1 4.11Å; F241-Y262 HydrophobicContact CE2-CE2 4.07Å; F241-Y262 AromaticContact CE2-CZ 3.6Å; F241-Y262 WeakPolarHBondContact CE2-OH 3.23Å; F241-R266 VanDerWaalsContact CD1-NE 3.3Å; F241-R266 VanDerWaalsContact CD1-NH2 3.34Å; F241-R266 VanDerWaalsContact CE2-CD 3.47Å; F241-R266 VanDerWaalsContact CG-CD 3.46Å; F241-L274 HydrophobicContact CE1-CD2 4Å
242E94.6Very high87.3Confident4 Ų450.8 Ų50.82%0.01928%0.275CS..  trans-127.470.5-177.4-75.8-77.612700110.7R185 V239 D244 L245 R260 Y262R185-E242 IonicContact CZ-OE2 3.85Å; R185-E242 VanDerWaalsContact CZ-OE2 3.27Å; R185-E242 IonicContact NE-OE2 2.96Å; R185-E242 PolarHBondContact NE-OE2 2.88Å; R185-E242 IonicContact NH2-OE2 3.05Å; R185-E242 PolarHBondContact NH2-OE2 2.83Å; V239-E242 HydrophobicContact CB-CB 3.94Å; V239-E242 HydrophobicContact CB-CG 4.17Å; V239-E242 HydrophobicContact CG1-CB 4.02Å; V239-E242 HydrophobicContact CG1-CG 3.79Å; V239-E242 PolarHBondContact O-N 3.41Å; E242-D244 PolarHBondContact O-N 3.18Å; E242-D244 VanDerWaalsContact O-N 3.09Å; E242-L245 HydrophobicContact CB-CB 3.82Å; E242-L245 HydrophobicContact CB-CD2 4.43Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 3.15Å; E242-R260 WeakPolarHBondContact OE1-CD 2.98Å; E242-R260 IonicContact OE1-NE 2.75Å; E242-R260 WeakPolarHBondContact OE2-CD 3.46Å; E242-Y262 VanDerWaalsContact CG-OH 3.3Å; E242-Y262 WeakPolarHBondContact CG-OH 3.42Å; E242-Y262 WeakPolarHBondContact OE1-CE1 2.77Å; E242-Y262 VanDerWaalsContact OE1-CZ 3.24Å; E242-Y262 PolarHBondContact OE1-OH 3.21Å
243D90.4Very high88.1Confident127 Ų12758.2 Ų58.268%0.67931%0.306SS*.THydrogen-bonded Turntrans-62.3-19.8-178.6-66.8-40.8000113.9R246D243-R246 PolarHBondContact O-NH1 3.49Å; D243-R246 PolarHBondContact O-NH2 2.99Å
244D93Very high88.9Confident111 Ų11163.5 Ų63.559%0.59433%0.326SS*.THydrogen-bonded Turntrans-89.8-13.8178.7-58-41.8000113.3E242 R246 R260E242-D244 PolarHBondContact O-N 3.18Å; E242-D244 VanDerWaalsContact O-N 3.09Å; D244-R246 PolarHBondContact O-N 3.18Å; D244-R260 IonicContact OD2-CZ 2.96Å; D244-R260 IonicContact OD2-NH1 3.56Å; D244-R260 PolarHBondContact OD2-NH1 3.05Å
245L94.9Very high90.3Very high12 Ų1266 Ų666%0.06335%0.351CS..  trans-70124.9-176.5176.964.2000110.1H187 V213 V239 E242 T247H187-L245 HydrophobicContact CB-CD1 3.96Å; V213-L245 HydrophobicContact CG1-CD2 3.95Å; V213-L245 HydrophobicContact CG2-CD1 4.46Å; V213-L245 HydrophobicContact CG2-CD2 3.98Å; V239-L245 HydrophobicContact CB-CD2 4.11Å; V239-L245 HydrophobicContact CG2-CD2 3.81Å; E242-L245 HydrophobicContact CB-CB 3.82Å; E242-L245 HydrophobicContact CB-CD2 4.43Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 3.15Å; L245-T247 HydrophobicContact CD1-CG2 4.24Å; L245-T247 HydrophobicContact CG-CG2 4.3Å
246R92.8Very high91.7Very high141 Ų14168 Ų6853%0.53236%0.364SS..  trans-129.1115.4179.1-64.2-67.4175.6-83.3-8.4108.9D243 D244 Q249D243-R246 PolarHBondContact O-NH1 3.49Å; D243-R246 PolarHBondContact O-NH2 2.99Å; D244-R246 PolarHBondContact O-N 3.18Å; R246-Q249 HydrophobicContact CB-CG 4.03Å; R246-Q249 PolarHBondContact O-NE2 3.33Å
247T92.6Very high92.1Very high12 Ų1268.8 Ų68.87%0.07437%0.366CS..  trans-108.6165.8178.255.10000111E211 V213 S236 I237 L245 Q249E211-T247 VanDerWaalsContact OE1-CA 3.27Å; E211-T247 WeakPolarHBondContact OE1-CA 3.45Å; E211-T247 WeakPolarHBondContact OE1-CB 3.32Å; V213-T247 HydrophobicContact CG2-CG2 3.9Å; S236-T247 WeakPolarHBondContact CA-OG1 3.27Å; I237-T247 HydrophobicContact CB-CG2 4.05Å; I237-T247 HydrophobicContact CD1-CG2 4.44Å; I237-T247 PolarHBondContact N-OG1 2.79Å; I237-T247 PolarHBondContact O-OG1 3.07Å; L245-T247 HydrophobicContact CD1-CG2 4.24Å; L245-T247 HydrophobicContact CG-CG2 4.3Å; T247-Q249 PolarHBondContact O-N 2.86Å
248N89.2Confident92.1Very high14 Ų1471.1 Ų71.18%0.07538%0.382CS..SBendtrans56.536.3-177.8-171.218.4000113.5R46 L192 E211 V234 G235R46-N248 WeakPolarHBondContact CG-ND2 3.35Å; R46-N248 PolarHBondContact NH1-O 3.34Å; R46-N248 PolarHBondContact NH1-OD1 3.4Å; R46-N248 VanDerWaalsContact NH1-OD1 3.12Å; L192-N248 HydrophobicContact CD1-CB 4.2Å; L192-N248 WeakPolarHBondContact CD1-OD1 3.3Å; E211-N248 PolarHBondContact OE1-N 2.89Å; E211-N248 VanDerWaalsContact OE2-CA 3.22Å; E211-N248 WeakPolarHBondContact OE2-CA 3.49Å; E211-N248 PolarHBondContact OE2-N 2.9Å; V234-N248 PolarHBondContact O-ND2 3.03Å; G235-N248 VanDerWaalsContact O-CB 3.31Å; G235-N248 WeakPolarHBondContact O-CB 3.43Å; G235-N248 PolarHBondContact O-ND2 3.29Å
249Q88.1Confident92.1Very high99 Ų9971.2 Ų71.246%0.46338%0.383SS..  trans-74.3143.3-177.6-67.2-167.453.600112.4R246 T247 V252R246-Q249 HydrophobicContact CB-CG 4.03Å; R246-Q249 PolarHBondContact O-NE2 3.33Å; T247-Q249 PolarHBondContact O-N 2.86Å; Q249-V252 HydrophobicContact CB-CB 4.34Å; Q249-V252 HydrophobicContact CB-CG2 3.55Å; Q249-V252 HydrophobicContact CG-CG2 4.48Å
250F85.7Confident92.1Very high164 Ų16476 Ų7672%0.71940%0.401SS*.THydrogen-bonded Turntrans-73.1142.2171.7-175.6-96.6000110.5V252F250-V252 PolarHBondContact O-N 3.19Å
251G86.5Confident92Very high73 Ų7375.9 Ų75.975%0.75341%0.407SS*.THydrogen-bonded Turntrans78.1-11.7176.200000115.9K253G251-K253 PolarHBondContact O-N 3.1Å
252V88.3Confident92Very high62 Ų6275.2 Ų75.238%0.37640%0.404SS..PPolyproline II helixtrans-70.4125.5176.1176.90000110.2Q249 F250 R254Q249-V252 HydrophobicContact CB-CB 4.34Å; Q249-V252 HydrophobicContact CB-CG2 3.55Å; Q249-V252 HydrophobicContact CG-CG2 4.48Å; F250-V252 PolarHBondContact O-N 3.19Å; V252-R254 PolarHBondContact O-N 3.25Å
253K91.8Very high91.9Very high169 Ų16981.6 Ų81.674%0.73544%0.443SS*.PPolyproline II helixtrans-61.2134.7175.1-176.9-178.8177.9-177.30109.2S189 G251 S256S189-K253 PolarHBondContact OG-O 3.47Å; G251-K253 PolarHBondContact O-N 3.1Å; K253-S256 VanDerWaalsContact O-CB 3.26Å; K253-S256 WeakPolarHBondContact O-CB 3.43Å; K253-S256 PolarHBondContact O-N 2.68Å; K253-S256 PolarHBondContact O-OG 3.04Å
254R89.8Confident91.9Very high122 Ų12281.1 Ų81.146%0.4645%0.447SS..THydrogen-bonded Turntrans-65.4139.2175.9-64.7178177.7145.3-6.5110.5S189 Y191 V252 S256S189-R254 WeakPolarHBondContact OG-CA 3.44Å; Y191-R254 VanDerWaalsContact CD1-CZ 3.47Å; Y191-R254 VanDerWaalsContact CZ-CD 3.5Å; Y191-R254 PolarHBondContact OH-NH1 2.92Å; V252-R254 PolarHBondContact O-N 3.25Å; R254-S256 VanDerWaalsContact C-N 3.27Å
255G91.7Very high92Very high53 Ų5379 Ų7955%0.54644%0.438SS..THydrogen-bonded Turntrans81.32.6-174.200000114S189S189-G255 WeakPolarHBondContact O-CA 3.06Å; S189-G255 PolarHBondContact O-N 3.27Å; S189-G255 PolarHBondContact OG-N 3.28Å; S189-G255 VanDerWaalsContact OG-N 3.11Å
256S94.3Very high92Very high51 Ų5180.9 Ų80.936%0.35744%0.444SS..  trans-62.3139.3167.5-730000109.8I188 S189 K253 R254I188-S256 WeakPolarHBondContact CA-O 3.41Å; S189-S256 PolarHBondContact N-O 3.14Å; S189-S256 WeakPolarHBondContact OG-CB 3.49Å; S189-S256 PolarHBondContact OG-N 3.31Å; S189-S256 PolarHBondContact OG-O 3.47Å; K253-S256 VanDerWaalsContact O-CB 3.26Å; K253-S256 WeakPolarHBondContact O-CB 3.43Å; K253-S256 PolarHBondContact O-N 2.68Å; K253-S256 PolarHBondContact O-OG 3.04Å; R254-S256 VanDerWaalsContact C-N 3.27Å
257L94.3Very high92.3Very high49 Ų4976.9 Ų76.926%0.25744%0.441SS..EExtended strand (participates in β ladder)trans-121.7133.8-171.4-169154.5000109Q146 R186 H187 I188 D259Q146-L257 HydrophobicContact CB-CD1 4.39Å; Q146-L257 HydrophobicContact CG-CD1 4.24Å; R186-L257 HydrophobicContact CG-CD1 4.31Å; R186-L257 HydrophobicContact CG-CD2 4.2Å; R186-L257 HydrophobicContact CG-CG 3.98Å; H187-L257 CarbonylContact O-C 3.49Å; H187-L257 WeakPolarHBondContact O-CA 3.47Å; I188-L257 HydrophobicContact CD1-CD1 4.5Å; I188-L257 HydrophobicContact CG1-CD1 4.3Å; I188-L257 HydrophobicContact CG1-CG 4.27Å; L257-D259 HydrophobicContact CD2-CB 4.35Å; L257-D259 WeakPolarHBondContact CD2-OD1 3.41Å; L257-D259 WeakPolarHBondContact CD2-OD2 3.48Å
258S94.6Very high92.5Very high54 Ų5476.4 Ų76.438%0.37844%0.438SS..EExtended strand (participates in β ladder)trans-131110.3178.4171.20000109.7R185 H187R185-S258 PolarHBondContact NH1-O 3.48Å; R185-S258 PolarHBondContact NH1-OG 3.18Å; R185-S258 VanDerWaalsContact NH1-OG 3.15Å; H187-S258 PolarHBondContact N-O 2.89Å; H187-S258 PolarHBondContact O-N 2.84Å
259D95.1Very high92.9Very high64 Ų6484.1 Ų84.134%0.34247%0.466SS..EExtended strand (participates in β ladder)trans-101.3142.8-177.5-79.9-3.1000111.1F184 R185 R186 L257F184-D259 HydrophobicContact CE2-CB 3.59Å; F184-D259 VanDerWaalsContact CE2-CG 3.48Å; F184-D259 HydrophobicContact CZ-CB 3.84Å; F184-D259 VanDerWaalsContact CZ-OD1 3.22Å; F184-D259 WeakPolarHBondContact CZ-OD1 3.1Å; F184-D259 VanDerWaalsContact CZ-OD2 3.27Å; F184-D259 WeakPolarHBondContact CZ-OD2 3.26Å; R185-D259 CarbonylContact O-C 3.56Å; R185-D259 WeakPolarHBondContact O-CA 3.48Å; R186-D259 WeakPolarHBondContact CB-OD1 3.34Å; R186-D259 WeakPolarHBondContact CG-OD1 3.47Å; R186-D259 IonicContact CZ-OD1 3.63Å; R186-D259 IonicContact CZ-OD2 3.63Å; R186-D259 IonicContact NE-OD1 2.79Å; R186-D259 PolarHBondContact NE-OD1 3.02Å; R186-D259 IonicContact NE-OD2 2.81Å; R186-D259 PolarHBondContact NE-OD2 2.86Å; R186-D259 IonicContact NH2-OD1 3.39Å; R186-D259 IonicContact NH2-OD2 3.65Å; R186-D259 PolarHBondContact NH2-OD2 2.87Å; L257-D259 HydrophobicContact CD2-CB 4.35Å; L257-D259 WeakPolarHBondContact CD2-OD1 3.41Å; L257-D259 WeakPolarHBondContact CD2-OD2 3.48Å
260R95.3Very high93.4Very high102 Ų10281.5 Ų81.539%0.38545%0.454SS..EExtended strand (participates in β ladder)trans-141.6119.7173.6-175.2170.1-178.3144.8-0.8109.2F184 R185 E242 D244F184-R260 WeakPolarHBondContact CA-O 3.47Å; R185-R260 PolarHBondContact N-O 2.97Å; R185-R260 PolarHBondContact O-N 3.16Å; E242-R260 WeakPolarHBondContact OE1-CD 2.98Å; E242-R260 IonicContact OE1-NE 2.75Å; E242-R260 WeakPolarHBondContact OE2-CD 3.46Å; D244-R260 IonicContact OD2-CZ 2.96Å; D244-R260 IonicContact OD2-NH1 3.56Å; D244-R260 PolarHBondContact OD2-NH1 3.05Å
261A94.7Very high94Very high68 Ų6874.4 Ų74.456%0.56243%0.427SS*.EExtended strand (participates in β ladder)trans-84.7146.2170.800000110
262Y94.4Very high94.5Very high28 Ų2873.6 Ų73.611%0.1140%0.403CS..EExtended strand (participates in β ladder)trans-99.2118.4173.7-64-63.7000110I182 V183 R185 F241 E242 P264 T265I182-Y262 HydrophobicContact CG2-CD2 3.86Å; I182-Y262 HydrophobicContact CG2-CE2 3.75Å; V183-Y262 PolarHBondContact O-N 3.01Å; R185-Y262 HydrophobicContact CB-CE2 3.89Å; R185-Y262 VanDerWaalsContact CB-OH 3.31Å; R185-Y262 WeakPolarHBondContact CB-OH 2.95Å; F241-Y262 HydrophobicContact CD2-CE1 4.19Å; F241-Y262 HydrophobicContact CE2-CE1 4.11Å; F241-Y262 HydrophobicContact CE2-CE2 4.07Å; F241-Y262 AromaticContact CE2-CZ 3.6Å; F241-Y262 WeakPolarHBondContact CE2-OH 3.23Å; E242-Y262 VanDerWaalsContact CG-OH 3.3Å; E242-Y262 WeakPolarHBondContact CG-OH 3.42Å; E242-Y262 WeakPolarHBondContact OE1-CE1 2.77Å; E242-Y262 VanDerWaalsContact OE1-CZ 3.24Å; E242-Y262 PolarHBondContact OE1-OH 3.21Å; Y262-P264 CarbonylContact C-O 3.11Å; Y262-P264 CarbonylContact O-C 3.57Å; Y262-T265 PolarHBondContact O-N 3.24Å
263V91.8Very high95Very high138 Ų13874.1 Ų74.184%0.83640%0.4SS*.EExtended strand (participates in β ladder)trans-131.9109176.2-173.90000108.7
264P92Very high95.3Very high118 Ų11866.1 Ų66.177%0.76637%0.365SS*.EExtended strand (participates in β ladder)cis-64167.9-6.731.2-36.4000112.5Y262Y262-P264 CarbonylContact C-O 3.11Å; Y262-P264 CarbonylContact O-C 3.57Å
265T93.7Very high95.6Very high66 Ų6660.3 Ų60.341%0.40534%0.344SS..EExtended strand (participates in β ladder)trans-59.5154.4173.358.90000110.4E181 V183 Y262E181-T265 WeakPolarHBondContact OE2-CB 3.27Å; E181-T265 PolarHBondContact OE2-OG1 3.01Å; V183-T265 HydrophobicContact CB-CG2 4.15Å; V183-T265 HydrophobicContact CG1-CG2 3.67Å; Y262-T265 PolarHBondContact O-N 3.24Å
266R96Very high95.7Very high51 Ų5158.7 Ų58.719%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-98.3105178.6-177.2176.9-172.7-90.7-2.6109.9I182 F241 S268 E272I182-R266 HydrophobicContact CB-CB 4.29Å; I182-R266 PolarHBondContact N-O 3.03Å; I182-R266 PolarHBondContact O-N 3.18Å; F241-R266 VanDerWaalsContact CD1-NE 3.3Å; F241-R266 VanDerWaalsContact CD1-NH2 3.34Å; F241-R266 VanDerWaalsContact CE2-CD 3.47Å; F241-R266 VanDerWaalsContact CG-CD 3.46Å; R266-S268 PolarHBondContact O-N 3.22Å; R266-E272 IonicContact CZ-OE1 3.51Å; R266-E272 IonicContact NH1-OE1 2.68Å; R266-E272 PolarHBondContact NH1-OE1 3.09Å; R266-E272 IonicContact NH2-OE1 3.27Å; R266-E272 PolarHBondContact NH2-OE1 3.17Å
267A97.8Very high95.6Very high57 Ų5756.3 Ų56.347%0.47131%0.306SS..EExtended strand (participates in β ladder)trans-58.2132.9167.300000109.9E181E181-A267 VanDerWaalsContact OE1-CA 3.29Å; E181-A267 WeakPolarHBondContact OE1-CA 3.4Å; E181-A267 WeakPolarHBondContact OE1-CB 3.5Å; E181-A267 WeakPolarHBondContact OE2-CA 3.39Å; E181-A267 PolarHBondContact OE2-N 3.27Å
268S98Very high95Very high2 Ų257.9 Ų57.91%0.01431%0.311CS..EExtended strand (participates in β ladder)trans-130.2134.7170.6-171.50000111.4S176 D179 W180 R266 E272 L274S176-S268 WeakPolarHBondContact CB-OG 3.36Å; S176-S268 PolarHBondContact OG-OG 2.68Å; D179-S268 WeakPolarHBondContact CA-O 3.44Å; W180-S268 PolarHBondContact N-O 3.11Å; W180-S268 VanDerWaalsContact N-O 3.07Å; W180-S268 PolarHBondContact O-N 3Å; R266-S268 PolarHBondContact O-N 3.22Å; S268-E272 WeakPolarHBondContact CA-OE2 2.9Å; S268-E272 WeakPolarHBondContact CB-OE2 3.39Å; S268-E272 PolarHBondContact OG-OE2 3.3Å; S268-L274 WeakPolarHBondContact OG-CD2 3.31Å
269R98Very high94Very high176 Ų17655.5 Ų55.566%0.66429%0.293SS*.  trans-94.7143.6-177.1-58.9-58.7-66.4-102.2-4.5111.3S176 D179 G271 E272S176-R269 WeakPolarHBondContact CB-O 3.31Å; D179-R269 WeakPolarHBondContact OD1-CA 3.47Å; D179-R269 IonicContact OD1-NE 2.73Å; D179-R269 PolarHBondContact OD1-NE 3.12Å; D179-R269 VanDerWaalsContact OD1-NE 3.1Å; R269-G271 PolarHBondContact O-N 2.86Å; R269-E272 PolarHBondContact N-OE2 2.98Å; R269-E272 WeakPolarHBondContact O-CB 3.46Å; R269-E272 PolarHBondContact O-N 2.88Å
270K98Very high92.8Very high45 Ų4552.9 Ų52.920%0.19628%0.282CS..THydrogen-bonded Turntrans-52.5124.7176.1-172.3173.451.4165.20110.9I105 S106 N107 L108 V111 T178 D179I105-K270 HydrophobicContact CG2-CD 4.25Å; I105-K270 HydrophobicContact CG2-CG 3.87Å; S106-K270 PolarHBondContact O-NZ 2.73Å; N107-K270 PolarHBondContact O-NZ 3.16Å; L108-K270 PolarHBondContact O-NZ 3.38Å; V111-K270 HydrophobicContact CG1-CD 3.94Å; V111-K270 HydrophobicContact CG1-CG 4.47Å; V111-K270 HydrophobicContact CG2-CD 4Å; V111-K270 HydrophobicContact CG2-CG 3.64Å; T178-K270 PolarHBondContact O-N 2.81Å; D179-K270 PolarHBondContact OD1-N 3.39Å
271G97.8Very high92.5Very high15 Ų1548 Ų4816%0.15526%0.263CS..THydrogen-bonded Turntrans88.1-7.7-176.300000115.8H175 S176 R269H175-G271 PolarHBondContact ND1-O 3.48Å; S176-G271 PolarHBondContact O-N 3.18Å; R269-G271 PolarHBondContact O-N 2.86Å
272E97.8Very high92.4Very high56 Ų5644.8 Ų44.826%0.26224%0.236SC..  trans-62.9138.3175.8-175.1-163.2148.700111.2H175 S176 R266 S268 R269 L274H175-E272 CarbonylContact C-O 3.58Å; H175-E272 WeakPolarHBondContact CA-O 3.34Å; H175-E272 WeakPolarHBondContact CB-O 3.45Å; S176-E272 PolarHBondContact N-O 3.43Å; R266-E272 IonicContact CZ-OE1 3.51Å; R266-E272 IonicContact NH1-OE1 2.68Å; R266-E272 PolarHBondContact NH1-OE1 3.09Å; R266-E272 IonicContact NH2-OE1 3.27Å; R266-E272 PolarHBondContact NH2-OE1 3.17Å; S268-E272 WeakPolarHBondContact CA-OE2 2.9Å; S268-E272 WeakPolarHBondContact CB-OE2 3.39Å; S268-E272 PolarHBondContact OG-OE2 3.3Å; R269-E272 PolarHBondContact N-OE2 2.98Å; R269-E272 WeakPolarHBondContact O-CB 3.46Å; R269-E272 PolarHBondContact O-N 2.88Å; E272-L274 PolarHBondContact O-N 3.29Å
273K97.7Very high92.6Very high73 Ų7343.5 Ų43.532%0.31723%0.231SC..EExtended strand (participates in β ladder)trans-69.3121.3174.2-169.6177-177.4-172.10110.3H175 V240 G275 D276H175-K273 PolarHBondContact ND1-N 3.48Å; V240-K273 HydrophobicContact CG2-CD 4.5Å; V240-K273 HydrophobicContact CG2-CG 4.24Å; K273-G275 WeakPolarHBondContact CE-O 3.22Å; K273-D276 IonicContact NZ-OD2 3.8Å
274L97.8Very high92.8Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-98.4-28.1178.1-69.1177.6000112.5F174 W180 I182 L215 L226 V239 V240 F241 S268 E272F174-L274 HydrophobicContact CD2-CB 3.83Å; F174-L274 HydrophobicContact CE2-CB 3.82Å; F174-L274 PolarHBondContact O-N 3.36Å; W180-L274 HydrophobicContact CZ2-CD1 4.07Å; I182-L274 HydrophobicContact CD1-CD2 3.91Å; L215-L274 HydrophobicContact CD1-CB 4.42Å; L215-L274 HydrophobicContact CD1-CD1 4.29Å; L226-L274 HydrophobicContact CD1-CD1 4.02Å; V239-L274 CarbonylContact C-O 3.57Å; V239-L274 WeakPolarHBondContact CA-O 3.46Å; V240-L274 PolarHBondContact N-O 2.84Å; F241-L274 HydrophobicContact CE1-CD2 4Å; S268-L274 WeakPolarHBondContact OG-CD2 3.31Å; E272-L274 PolarHBondContact O-N 3.29Å
275G96.3Very high93.1Very high0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans177.6-170.4-177.700000113.4G173 F174 N238 K273G173-G275 WeakPolarHBondContact CA-O 3.42Å; F174-G275 PolarHBondContact N-O 3.34Å; F174-G275 PolarHBondContact O-N 3.33Å; F174-G275 VanDerWaalsContact O-N 3.17Å; N238-G275 WeakPolarHBondContact O-CA 3.47Å; K273-G275 WeakPolarHBondContact CE-O 3.22Å
276D95Very high93.2Very high20 Ų2028.1 Ų28.111%0.10714%0.136CC..EExtended strand (participates in β ladder)trans-153.4158.8176.556.983.5000111.5H172 F174 N238 K273H172-D276 CarbonylContact O-C 3.52Å; H172-D276 VanDerWaalsContact O-CA 3.26Å; H172-D276 WeakPolarHBondContact O-CA 3.39Å; F174-D276 VanDerWaalsContact CE1-N 3.26Å; N238-D276 PolarHBondContact N-O 3.44Å; N238-D276 PolarHBondContact ND2-OD2 3.34Å; N238-D276 PolarHBondContact O-N 2.9Å; K273-D276 IonicContact NZ-OD2 3.8Å
277F91.8Very high93.2Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-103.3139.1169.5-57.4-89.3000109.8L166 H172 F174 A228 V234 I237 F279 S281 I283L166-F277 HydrophobicContact CD2-CD2 4.2Å; L166-F277 HydrophobicContact CD2-CE2 4.29Å; H172-F277 HydrophobicContact CB-CB 4.37Å; H172-F277 PolarHBondContact O-N 2.96Å; F174-F277 AromaticContact CD1-CD2 3.82Å; F174-F277 HydrophobicContact CD1-CD2 3.82Å; F174-F277 AromaticContact CD1-CE2 3.49Å; F174-F277 HydrophobicContact CD1-CE2 3.49Å; F174-F277 VanDerWaalsContact CD1-CE2 3.49Å; F174-F277 HydrophobicContact CD1-CZ 4.13Å; F174-F277 HydrophobicContact CE1-CD2 4.17Å; F174-F277 AromaticContact CE1-CE2 3.93Å; F174-F277 HydrophobicContact CE1-CE2 3.93Å; F174-F277 HydrophobicContact CE1-CZ 4.21Å; F174-F277 HydrophobicContact CG-CE2 4.43Å; A228-F277 HydrophobicContact CB-CE1 3.72Å; A228-F277 HydrophobicContact CB-CZ 3.54Å; V234-F277 HydrophobicContact CG1-CD1 4.45Å; I237-F277 HydrophobicContact CD1-CE1 4.46Å; I237-F277 HydrophobicContact CG1-CD1 3.88Å; I237-F277 HydrophobicContact CG1-CE1 3.88Å; I237-F277 HydrophobicContact CG2-CE1 4.33Å; F277-F279 VanDerWaalsContact C-N 3.3Å; F277-F279 VanDerWaalsContact CB-O 3.31Å; F277-F279 WeakPolarHBondContact CB-O 3.34Å; F277-F279 PolarHBondContact O-N 3.12Å; F277-S281 WeakPolarHBondContact CD2-OG 3.43Å; F277-S281 WeakPolarHBondContact CE2-OG 3.39Å; F277-S281 WeakPolarHBondContact CG-OG 3.07Å; F277-S281 WeakPolarHBondContact CZ-OG 3.27Å; F277-I283 HydrophobicContact CE2-CD1 3.68Å; F277-I283 HydrophobicContact CE2-CG1 4.2Å; F277-I283 HydrophobicContact CZ-CD1 3.72Å
278K81.8Confident93Very high83 Ų8324.2 Ų24.236%0.36111%0.11SC..SBendtrans-72.3-23.5172.1-71.4-171.7175.9173.10113.2Q91 F94 S236Q91-K278 VanDerWaalsContact NE2-CA 3.3Å; Q91-K278 VanDerWaalsContact NE2-CB 3.34Å; Q91-K278 PolarHBondContact NE2-O 3.23Å; Q91-K278 PolarHBondContact OE1-O 2.94Å; F94-K278 WeakPolarHBondContact CD1-O 3.36Å; F94-K278 WeakPolarHBondContact CE1-O 3.27Å; S236-K278 PolarHBondContact O-N 2.92Å
279F73.5Confident92.9Very high4 Ų424.2 Ų24.22%0.01811%0.11CC..SBendtrans-154.1173.7170-118.6-91.3000112W48 N52 Y68 F94 N233 V234 F277W48-F279 HydrophobicContact CZ2-CE1 4.12Å; W48-F279 HydrophobicContact CZ2-CZ 4.04Å; W48-F279 AromaticContact NE1-CD1 3.86Å; W48-F279 AromaticContact NE1-CD2 3.54Å; W48-F279 AromaticContact NE1-CE1 3.93Å; W48-F279 AromaticContact NE1-CE2 3.65Å; W48-F279 AromaticContact NE1-CG 3.69Å; W48-F279 AromaticContact NE1-CZ 3.85Å; N52-F279 WeakPolarHBondContact ND2-CE2 3.49Å; Y68-F279 HydrophobicContact CE2-CE1 4.28Å; Y68-F279 AromaticContact CE2-CZ 3.78Å; Y68-F279 HydrophobicContact CE2-CZ 3.78Å; Y68-F279 AromaticContact CZ-CZ 3.91Å; Y68-F279 WeakPolarHBondContact OH-CE1 3.44Å; Y68-F279 WeakPolarHBondContact OH-CZ 3.36Å; F94-F279 HydrophobicContact CB-CE2 4.22Å; F94-F279 HydrophobicContact CD1-CD2 4.24Å; F94-F279 HydrophobicContact CD2-CD1 4.26Å; F94-F279 AromaticContact CD2-CD2 3.86Å; F94-F279 HydrophobicContact CD2-CD2 3.86Å; F94-F279 AromaticContact CD2-CE1 3.93Å; F94-F279 HydrophobicContact CD2-CE1 3.93Å; F94-F279 AromaticContact CD2-CE2 3.47Å; F94-F279 HydrophobicContact CD2-CE2 3.47Å; F94-F279 VanDerWaalsContact CD2-CE2 3.47Å; F94-F279 HydrophobicContact CD2-CG 4.22Å; F94-F279 AromaticContact CD2-CZ 3.5Å; F94-F279 HydrophobicContact CD2-CZ 3.5Å; F94-F279 HydrophobicContact CE1-CB 4.33Å; F94-F279 HydrophobicContact CE1-CD2 4.37Å; F94-F279 HydrophobicContact CE1-CG 4.26Å; F94-F279 AromaticContact CE2-CD1 3.64Å; F94-F279 HydrophobicContact CE2-CD1 3.64Å; F94-F279 AromaticContact CE2-CD2 3.98Å; F94-F279 HydrophobicContact CE2-CD2 3.98Å; F94-F279 AromaticContact CE2-CE1 3.56Å; F94-F279 HydrophobicContact CE2-CE1 3.56Å; F94-F279 AromaticContact CE2-CE2 3.88Å; F94-F279 HydrophobicContact CE2-CE2 3.88Å; F94-F279 AromaticContact CE2-CG 3.84Å; F94-F279 HydrophobicContact CE2-CG 3.84Å; F94-F279 AromaticContact CE2-CZ 3.67Å; F94-F279 HydrophobicContact CE2-CZ 3.67Å; F94-F279 AromaticContact CG-CD2 3.97Å; F94-F279 HydrophobicContact CG-CD2 3.97Å; F94-F279 AromaticContact CG-CE2 3.82Å; F94-F279 HydrophobicContact CG-CE2 3.82Å; F94-F279 HydrophobicContact CG-CZ 4.31Å; F94-F279 HydrophobicContact CZ-CB 4.15Å; F94-F279 AromaticContact CZ-CD1 3.91Å; F94-F279 HydrophobicContact CZ-CD1 3.91Å; F94-F279 HydrophobicContact CZ-CD2 4.2Å; F94-F279 HydrophobicContact CZ-CE1 4.3Å; F94-F279 AromaticContact CZ-CG 3.83Å; F94-F279 HydrophobicContact CZ-CG 3.83Å; N233-F279 VanDerWaalsContact C-CB 3.46Å; N233-F279 HydrophobicContact CB-CB 4.42Å; N233-F279 HydrophobicContact CB-CD1 4.2Å; N233-F279 HydrophobicContact CB-CG 4.46Å; N233-F279 WeakPolarHBondContact O-CB 3.14Å; V234-F279 WeakPolarHBondContact CG2-O 3.31Å; F277-F279 VanDerWaalsContact C-N 3.3Å; F277-F279 VanDerWaalsContact CB-O 3.31Å; F277-F279 WeakPolarHBondContact CB-O 3.34Å; F277-F279 PolarHBondContact O-N 3.12Å
280G70Confident92.6Very high9 Ų917.7 Ų17.79%0.0939%0.09CC..SBendtrans-44.6139.9-166.400000118.5H172 A231 V234H172-G280 WeakPolarHBondContact NE2-CA 3.33Å; A231-G280 WeakPolarHBondContact CB-O 3.27Å; V234-G280 WeakPolarHBondContact CG2-O 3.34Å
281S88Confident92.2Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-157.9-174-159.759.20000113.2Y165 L166 V229 F277Y165-S281 WeakPolarHBondContact CD2-O 3.35Å; L166-S281 PolarHBondContact N-O 2.82Å; L166-S281 PolarHBondContact O-N 3.19Å; V229-S281 WeakPolarHBondContact O-CB 3.36Å; F277-S281 WeakPolarHBondContact CD2-OG 3.43Å; F277-S281 WeakPolarHBondContact CE2-OG 3.39Å; F277-S281 WeakPolarHBondContact CG-OG 3.07Å; F277-S281 WeakPolarHBondContact CZ-OG 3.27Å
282S94.3Very high92Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-139148169-57.70000111.5V164 V195 V229V164-S282 CarbonylContact O-C 3.56Å; V164-S282 WeakPolarHBondContact O-CA 3.3Å; V164-S282 WeakPolarHBondContact O-CB 3.21Å; V195-S282 WeakPolarHBondContact CG2-OG 3.18Å; V229-S282 PolarHBondContact N-O 2.88Å; V229-S282 PolarHBondContact O-N 3.29Å; V229-S282 VanDerWaalsContact O-N 3.17Å
283I96.7Very high91.9Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-103.3128.5166.2-64.1-63.3000108.2P113 A114 I163 V164 L166 F174 L226 S227 A228 F277 L285P113-I283 HydrophobicContact CB-CG2 4.08Å; P113-I283 HydrophobicContact CG-CB 4.27Å; P113-I283 HydrophobicContact CG-CG2 3.61Å; A114-I283 HydrophobicContact CB-CG1 4.22Å; I163-I283 WeakPolarHBondContact CA-O 3.45Å; V164-I283 PolarHBondContact N-O 3.14Å; V164-I283 PolarHBondContact O-N 3.41Å; L166-I283 HydrophobicContact CD1-CG1 4.16Å; F174-I283 HydrophobicContact CB-CD1 3.61Å; F174-I283 HydrophobicContact CB-CG1 3.93Å; F174-I283 HydrophobicContact CD1-CD1 3.94Å; F174-I283 HydrophobicContact CD2-CD1 4.2Å; F174-I283 HydrophobicContact CG-CD1 3.66Å; L226-I283 HydrophobicContact CD1-CG2 4.27Å; L226-I283 HydrophobicContact CD2-CD1 4.19Å; L226-I283 HydrophobicContact CG-CG2 4.03Å; S227-I283 WeakPolarHBondContact O-CA 3.22Å; A228-I283 HydrophobicContact CB-CD1 4.21Å; F277-I283 HydrophobicContact CE2-CD1 3.68Å; F277-I283 HydrophobicContact CE2-CG1 4.2Å; F277-I283 HydrophobicContact CZ-CD1 3.72Å; I283-L285 HydrophobicContact CG2-CD2 3.87Å; I283-L285 HydrophobicContact CG2-CG 4.31Å
284V96.9Very high91.8Very high0 Ų020.4 Ų20.40%012%0.116CC..EExtended strand (participates in β ladder)trans-112.8118.5170.9-175.30000108.1F142 C162 I163 Y207 S227 V229 V286F142-V284 HydrophobicContact CE1-CB 4.25Å; F142-V284 HydrophobicContact CE1-CG1 4.01Å; F142-V284 HydrophobicContact CE2-CG2 4.45Å; F142-V284 HydrophobicContact CZ-CB 3.78Å; F142-V284 HydrophobicContact CZ-CG1 3.93Å; F142-V284 HydrophobicContact CZ-CG2 3.99Å; C162-V284 WeakPolarHBondContact O-CA 3.37Å; I163-V284 HydrophobicContact CG1-CG1 4.11Å; I163-V284 HydrophobicContact CG1-CG2 4.18Å; I163-V284 HydrophobicContact CG2-CG2 4.36Å; Y207-V284 HydrophobicContact CD1-CG2 4.37Å; Y207-V284 HydrophobicContact CG-CG2 4.39Å; S227-V284 WeakPolarHBondContact CB-O 3.19Å; S227-V284 PolarHBondContact N-O 2.96Å; S227-V284 PolarHBondContact O-N 3.08Å; V229-V284 HydrophobicContact CG2-CG2 4.01Å; V284-V286 HydrophobicContact CG1-CG2 4.21Å
285L97.7Very high91.7Very high0 Ų022.2 Ų22.20%012%0.124CC..EExtended strand (participates in β ladder)trans-94.1137169.1-56.2-175.8000108.9P113 S161 C162 P177 F224 S225 L226 I283 F287 L309P113-L285 HydrophobicContact CB-CD2 4.43Å; P113-L285 HydrophobicContact CG-CD1 4.03Å; P113-L285 HydrophobicContact CG-CD2 4.2Å; P113-L285 HydrophobicContact CG-CG 4.25Å; S161-L285 WeakPolarHBondContact CA-O 3.46Å; C162-L285 HydrophobicContact CB-CB 4.32Å; C162-L285 HydrophobicContact CB-CD1 4.46Å; C162-L285 PolarHBondContact N-O 2.91Å; C162-L285 VanDerWaalsContact N-O 3.08Å; C162-L285 PolarHBondContact O-N 3.42Å; P177-L285 HydrophobicContact CB-CD1 4.12Å; P177-L285 HydrophobicContact CG-CD1 4.22Å; P177-L285 HydrophobicContact CG-CD2 4.08Å; F224-L285 HydrophobicContact CE1-CD2 4.25Å; F224-L285 HydrophobicContact CZ-CD1 4.5Å; S225-L285 WeakPolarHBondContact O-CA 3.47Å; L226-L285 HydrophobicContact CB-CD2 3.98Å; L226-L285 HydrophobicContact CD1-CD2 3.97Å; L226-L285 HydrophobicContact CG-CD2 3.94Å; I283-L285 HydrophobicContact CG2-CD2 3.87Å; I283-L285 HydrophobicContact CG2-CG 4.31Å; L285-F287 HydrophobicContact CB-CD1 4.14Å; L285-F287 HydrophobicContact CB-CE1 4.29Å; L285-L309 HydrophobicContact CD1-CD2 3.63Å
286V96Very high91.7Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-135.9124.1165.6-169.90000107.6L124 L129 L139 F160 F223 F224 S225 V284L124-V286 HydrophobicContact CD1-CG1 4.21Å; L124-V286 HydrophobicContact CD2-CG1 4.15Å; L129-V286 HydrophobicContact CD1-CG2 4.37Å; L129-V286 HydrophobicContact CD2-CG2 3.72Å; L139-V286 HydrophobicContact CD1-CG1 4.08Å; L139-V286 HydrophobicContact CD1-CG2 4.19Å; F160-V286 WeakPolarHBondContact O-CA 3.3Å; F223-V286 HydrophobicContact CE1-CB 4.14Å; F223-V286 HydrophobicContact CE1-CG1 4Å; F223-V286 VanDerWaalsContact CE1-O 3.27Å; F223-V286 WeakPolarHBondContact CE1-O 3.49Å; F224-V286 CarbonylContact C-O 3.58Å; S225-V286 PolarHBondContact N-O 3.35Å; S225-V286 PolarHBondContact O-N 3.3Å; S225-V286 VanDerWaalsContact O-N 3.16Å; S225-V286 WeakPolarHBondContact OG-CB 3.47Å; S225-V286 PolarHBondContact OG-O 3.39Å; V284-V286 HydrophobicContact CG1-CG2 4.21Å
287F95.9Very high91.8Very high0 Ų024.6 Ų24.60%014%0.141CC..EExtended strand (participates in β ladder)trans-152.9151.1-173.859.8-84.2000112.3L159 F160 W219 F223 F224 L285 A289 F293 F295L159-F287 CarbonylContact C-O 3.54Å; L159-F287 WeakPolarHBondContact CA-O 3.28Å; F160-F287 HydrophobicContact CB-CD2 4.4Å; F160-F287 HydrophobicContact CB-CE1 4.19Å; F160-F287 HydrophobicContact CB-CE2 3.93Å; F160-F287 HydrophobicContact CB-CZ 3.8Å; F160-F287 PolarHBondContact N-O 3.33Å; F160-F287 PolarHBondContact O-N 3.2Å; W219-F287 HydrophobicContact CH2-CD2 4.25Å; W219-F287 HydrophobicContact CH2-CE2 4.43Å; W219-F287 AromaticContact CZ2-CD2 3.69Å; W219-F287 HydrophobicContact CZ2-CD2 3.69Å; W219-F287 HydrophobicContact CZ2-CE2 4.24Å; F223-F287 CarbonylContact O-C 3.5Å; F223-F287 WeakPolarHBondContact O-CA 3.34Å; F224-F287 HydrophobicContact CB-CB 4.33Å; F224-F287 HydrophobicContact CD2-CB 3.22Å; F224-F287 HydrophobicContact CD2-CD2 4.44Å; F224-F287 AromaticContact CD2-CG 3.87Å; F224-F287 HydrophobicContact CD2-CG 3.87Å; F224-F287 HydrophobicContact CE2-CB 3.46Å; F224-F287 VanDerWaalsContact CE2-CB 3.46Å; F224-F287 AromaticContact CE2-CD1 3.91Å; F224-F287 HydrophobicContact CE2-CD1 3.91Å; F224-F287 HydrophobicContact CE2-CD2 4.11Å; F224-F287 AromaticContact CE2-CG 3.57Å; F224-F287 HydrophobicContact CE2-CG 3.57Å; F224-F287 HydrophobicContact CG-CB 3.82Å; F224-F287 HydrophobicContact CZ-CB 4.22Å; F224-F287 HydrophobicContact CZ-CD1 4.14Å; F224-F287 HydrophobicContact CZ-CG 4.25Å; L285-F287 HydrophobicContact CB-CD1 4.14Å; L285-F287 HydrophobicContact CB-CE1 4.29Å; F287-A289 HydrophobicContact CD2-CB 4.1Å; F287-A289 HydrophobicContact CE2-CB 4.03Å; F287-F293 HydrophobicContact CE2-CD1 4.34Å; F287-F293 HydrophobicContact CE2-CD2 4.43Å; F287-F293 AromaticContact CE2-CE1 3.87Å; F287-F293 HydrophobicContact CE2-CE1 3.87Å; F287-F293 AromaticContact CE2-CE2 3.97Å; F287-F293 HydrophobicContact CE2-CE2 3.97Å; F287-F293 AromaticContact CE2-CZ 3.66Å; F287-F293 HydrophobicContact CE2-CZ 3.66Å; F287-F293 AromaticContact CZ-CE1 3.71Å; F287-F293 HydrophobicContact CZ-CE1 3.71Å; F287-F293 HydrophobicContact CZ-CE2 4.3Å; F287-F293 AromaticContact CZ-CZ 3.56Å; F287-F293 HydrophobicContact CZ-CZ 3.56Å; F287-F295 HydrophobicContact CE1-CZ 4.32Å; F287-F295 HydrophobicContact CZ-CE1 4.19Å; F287-F295 HydrophobicContact CZ-CZ 4Å
288E94.6Very high92Very high26 Ų2628.4 Ų28.412%0.12117%0.165CC..EExtended strand (participates in β ladder)trans-81.8133.6173.7-175174.1-169.600109.6A157 L159 W219 H221 F223A157-E288 HydrophobicContact CB-CG 3.84Å; A157-E288 WeakPolarHBondContact CB-OE1 3.4Å; A157-E288 PolarHBondContact N-OE1 3.44Å; L159-E288 HydrophobicContact CD2-CB 4.02Å; W219-E288 WeakPolarHBondContact CZ2-O 3.15Å; W219-E288 PolarHBondContact NE1-O 3.16Å; H221-E288 VanDerWaalsContact O-CD 3.27Å; H221-E288 VanDerWaalsContact O-CG 3.23Å; H221-E288 WeakPolarHBondContact O-CG 3.05Å; F223-E288 HydrophobicContact CB-CB 4.13Å; F223-E288 PolarHBondContact N-OE2 3.4Å; F223-E288 PolarHBondContact O-N 3.3Å
289A94.5Very high92.5Very high2 Ų227.9 Ų27.92%0.01717%0.17CC..  trans-146.1158.8176.300000110.1S158 F160 W219 F287 F293S158-A289 PolarHBondContact O-N 2.98Å; F160-A289 HydrophobicContact CD2-CB 3.64Å; F160-A289 HydrophobicContact CE2-CB 3.75Å; W219-A289 HydrophobicContact CH2-CB 4.47Å; W219-A289 HydrophobicContact CZ2-CB 3.91Å; F287-A289 HydrophobicContact CD2-CB 4.1Å; F287-A289 HydrophobicContact CE2-CB 4.03Å; A289-F293 HydrophobicContact CB-CB 3.65Å; A289-F293 HydrophobicContact CB-CD1 4.39Å; A289-F293 HydrophobicContact CB-CD2 4.04Å; A289-F293 HydrophobicContact CB-CG 3.76Å
290P93Very high93.4Very high39 Ų3930 Ų3025%0.25319%0.192SC..  trans-60155172.526.2-35.1000110.9T292 F293 I312P290-T292 PolarHBondContact O-N 3.33Å; P290-F293 WeakPolarHBondContact O-CB 3.44Å; P290-F293 PolarHBondContact O-N 3.03Å; P290-I312 HydrophobicContact CG-CD1 3.99Å; P290-I312 HydrophobicContact CG-CG1 4.03Å; P290-I312 HydrophobicContact CG-CG2 3.83Å
291S89.8Confident94.6Very high105 Ų10532.6 Ų32.673%0.73420%0.204SC*.THydrogen-bonded Turntrans-59.7-18.6177.154.50000113.6F293S291-F293 VanDerWaalsContact C-N 3.29Å
292T92.9Very high95Very high52 Ų5240 Ų4032%0.31923%0.232SC..THydrogen-bonded Turntrans-81.1-2.3173.756.40000113.9P290 I312 K313P290-T292 PolarHBondContact O-N 3.33Å; T292-I312 WeakPolarHBondContact OG1-CG2 3.28Å; T292-K313 PolarHBondContact O-N 3.43Å; T292-K313 VanDerWaalsContact O-N 3.07Å
293F95.1Very high95.2Very high6 Ų640.4 Ų40.43%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-65.6133.6173.4-178.1-91.5000110.8V110 F160 F287 A289 P290 S291 F295 L311 I312V110-F293 HydrophobicContact CB-CE2 4.33Å; V110-F293 HydrophobicContact CG2-CE2 3.87Å; V110-F293 HydrophobicContact CG2-CZ 4.38Å; F160-F293 AromaticContact CD1-CD1 3.73Å; F160-F293 HydrophobicContact CD1-CD1 3.73Å; F160-F293 HydrophobicContact CD1-CE1 4.25Å; F160-F293 HydrophobicContact CD2-CD1 4.33Å; F160-F293 HydrophobicContact CE1-CB 4.45Å; F160-F293 AromaticContact CE1-CD1 3.82Å; F160-F293 HydrophobicContact CE1-CD1 3.82Å; F160-F293 HydrophobicContact CE2-CB 4.19Å; F160-F293 HydrophobicContact CE2-CD1 4.42Å; F160-F293 AromaticContact CG-CD1 3.98Å; F160-F293 HydrophobicContact CG-CD1 3.98Å; F160-F293 HydrophobicContact CG-CE1 4.43Å; F160-F293 HydrophobicContact CZ-CB 4.02Å; F160-F293 HydrophobicContact CZ-CD1 4.17Å; F287-F293 HydrophobicContact CE2-CD1 4.34Å; F287-F293 HydrophobicContact CE2-CD2 4.43Å; F287-F293 AromaticContact CE2-CE1 3.87Å; F287-F293 HydrophobicContact CE2-CE1 3.87Å; F287-F293 AromaticContact CE2-CE2 3.97Å; F287-F293 HydrophobicContact CE2-CE2 3.97Å; F287-F293 AromaticContact CE2-CZ 3.66Å; F287-F293 HydrophobicContact CE2-CZ 3.66Å; F287-F293 AromaticContact CZ-CE1 3.71Å; F287-F293 HydrophobicContact CZ-CE1 3.71Å; F287-F293 HydrophobicContact CZ-CE2 4.3Å; F287-F293 AromaticContact CZ-CZ 3.56Å; F287-F293 HydrophobicContact CZ-CZ 3.56Å; A289-F293 HydrophobicContact CB-CB 3.65Å; A289-F293 HydrophobicContact CB-CD1 4.39Å; A289-F293 HydrophobicContact CB-CD2 4.04Å; A289-F293 HydrophobicContact CB-CG 3.76Å; P290-F293 WeakPolarHBondContact O-CB 3.44Å; P290-F293 PolarHBondContact O-N 3.03Å; S291-F293 VanDerWaalsContact C-N 3.29Å; F293-F295 HydrophobicContact CE1-CD1 4.08Å; F293-F295 HydrophobicContact CE1-CD2 4.06Å; F293-F295 AromaticContact CE1-CE1 3.92Å; F293-F295 HydrophobicContact CE1-CE1 3.92Å; F293-F295 AromaticContact CE1-CE2 3.91Å; F293-F295 HydrophobicContact CE1-CE2 3.91Å; F293-F295 HydrophobicContact CE1-CG 4.14Å; F293-F295 AromaticContact CE1-CZ 3.84Å; F293-F295 HydrophobicContact CE1-CZ 3.84Å; F293-F295 HydrophobicContact CZ-CD1 4.39Å; F293-F295 HydrophobicContact CZ-CE1 4.25Å; F293-L311 CarbonylContact C-O 3.58Å; F293-L311 WeakPolarHBondContact CA-O 3.28Å; F293-I312 HydrophobicContact CD2-CG1 4.05Å
294Q95.4Very high95.2Very high83 Ų8344.1 Ų44.139%0.38825%0.251SS..EExtended strand (participates in β ladder)trans-134.5134.1176.8-61.2-163-11.600110.1G310 L311 K313Q294-G310 CarbonylContact O-C 3.51Å; Q294-G310 WeakPolarHBondContact O-CA 3.35Å; Q294-L311 PolarHBondContact N-O 2.66Å; Q294-L311 PolarHBondContact O-N 3.06Å; Q294-K313 VanDerWaalsContact CD-CE 3.49Å; Q294-K313 HydrophobicContact CG-CD 4.37Å
295F96.8Very high95.3Very high38 Ų3845.2 Ų45.217%0.16726%0.255CS..EExtended strand (participates in β ladder)trans-67.8135.8168.9-73.4-76.9000110C121 F160 S161 C162 F287 F293 V297 L309C121-F295 HydrophobicContact CB-CD1 3.79Å; C121-F295 HydrophobicContact CB-CD2 3.89Å; C121-F295 HydrophobicContact CB-CE1 3.9Å; C121-F295 HydrophobicContact CB-CE2 3.99Å; C121-F295 HydrophobicContact CB-CG 3.79Å; C121-F295 HydrophobicContact CB-CZ 3.99Å; F160-F295 HydrophobicContact CB-CE2 4.25Å; F160-F295 HydrophobicContact CB-CZ 4.18Å; F160-F295 AromaticContact CD1-CE2 3.9Å; F160-F295 HydrophobicContact CD1-CE2 3.9Å; S161-F295 VanDerWaalsContact O-CZ 3.25Å; S161-F295 WeakPolarHBondContact O-CZ 3.5Å; C162-F295 HydrophobicContact CB-CE1 3.84Å; C162-F295 HydrophobicContact CB-CZ 4.17Å; F287-F295 HydrophobicContact CE1-CZ 4.32Å; F287-F295 HydrophobicContact CZ-CE1 4.19Å; F287-F295 HydrophobicContact CZ-CZ 4Å; F293-F295 HydrophobicContact CE1-CD1 4.08Å; F293-F295 HydrophobicContact CE1-CD2 4.06Å; F293-F295 AromaticContact CE1-CE1 3.92Å; F293-F295 HydrophobicContact CE1-CE1 3.92Å; F293-F295 AromaticContact CE1-CE2 3.91Å; F293-F295 HydrophobicContact CE1-CE2 3.91Å; F293-F295 HydrophobicContact CE1-CG 4.14Å; F293-F295 AromaticContact CE1-CZ 3.84Å; F293-F295 HydrophobicContact CE1-CZ 3.84Å; F293-F295 HydrophobicContact CZ-CD1 4.39Å; F293-F295 HydrophobicContact CZ-CE1 4.25Å; F295-V297 HydrophobicContact CB-CG2 4.41Å; F295-V297 HydrophobicContact CD1-CG2 4.35Å; F295-L309 WeakPolarHBondContact CA-O 3.27Å; F295-L309 HydrophobicContact CD1-CG 4.31Å; F295-L309 WeakPolarHBondContact CD1-O 3.32Å; F295-L309 HydrophobicContact CE1-CD2 4.47Å; F295-L309 HydrophobicContact CE1-CG 4.39Å
296S96.5Very high95.3Very high57 Ų5745.2 Ų45.240%0.39926%0.255SS..SBendtrans-85.5-0.7170.9-53.40000112.1L309 L311S296-L309 PolarHBondContact N-O 3.09Å; S296-L311 VanDerWaalsContact OG-CD2 3.22Å; S296-L311 WeakPolarHBondContact OG-CD2 3.39Å
297V96.9Very high95.4Very high12 Ų1248.9 Ų48.97%0.07327%0.272CS..  trans-126.6161.7-175.3-60.50000110.1V118 C121 F295 I303 P308 L309V118-V297 HydrophobicContact CG1-CG2 4.48Å; V118-V297 HydrophobicContact CG2-CB 4.15Å; V118-V297 HydrophobicContact CG2-CG2 3.92Å; C121-V297 PolarHBondContact SG-O 2.83Å; C121-V297 VanDerWaalsContact SG-O 3.36Å; F295-V297 HydrophobicContact CB-CG2 4.41Å; F295-V297 HydrophobicContact CD1-CG2 4.35Å; V297-I303 HydrophobicContact CG1-CG2 3.94Å; V297-P308 WeakPolarHBondContact CG1-O 3.43Å; V297-L309 HydrophobicContact CG1-CD1 4.45Å; V297-L309 HydrophobicContact CG2-CD1 3.7Å; V297-L309 HydrophobicContact CG2-CG 4.42Å
298T95.8Very high95.5Very high81 Ų8151.6 Ų51.650%0.49729%0.29SS..  trans-131.5156.5176.555.80000110.5G300 N301T298-G300 PolarHBondContact O-N 2.94Å; T298-N301 PolarHBondContact N-OD1 3.14Å; T298-N301 WeakPolarHBondContact O-CB 3.29Å; T298-N301 PolarHBondContact O-N 3.33Å; T298-N301 PolarHBondContact O-OD1 2.68Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å; T298-N301 PolarHBondContact OG1-OD1 2.88Å
299P92.6Very high95.6Very high71 Ų7150.3 Ų50.346%0.46128%0.284SS..THydrogen-bonded Turntrans-52.3129.3174.3-27.436.7000111.9V118V118-P299 CarbonylContact O-C 3.45Å; V118-P299 WeakPolarHBondContact O-CA 3.46Å
300G92Very high95.7Very high48 Ų4850.2 Ų50.250%0.49528%0.283SS..THydrogen-bonded Turntrans99.2-16.1-17600000114.5V118 T298 R302V118-G300 PolarHBondContact O-N 3.36Å; T298-G300 PolarHBondContact O-N 2.94Å; G300-R302 PolarHBondContact O-N 3.04Å
301N95.9Very high95.7Very high64 Ų6451 Ų5134%0.34228%0.284SS..  trans-64.3133.1173.5-66157.1000110.8V117 V118 T298V117-N301 WeakPolarHBondContact CA-O 3.36Å; V118-N301 PolarHBondContact N-O 3.33Å; T298-N301 PolarHBondContact N-OD1 3.14Å; T298-N301 WeakPolarHBondContact O-CB 3.29Å; T298-N301 PolarHBondContact O-N 3.33Å; T298-N301 PolarHBondContact O-OD1 2.68Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å; T298-N301 PolarHBondContact OG1-OD1 2.88Å
302R96.6Very high95.8Very high155 Ų15548.3 Ų48.359%0.58526%0.262SS*.EExtended strand (participates in β ladder)trans-79.2134.8163.3-91.1-175-178.9-95.32.9108.6G116 V117 D170 G300G116-R302 CarbonylContact O-C 3.55Å; G116-R302 VanDerWaalsContact O-CA 3.27Å; G116-R302 WeakPolarHBondContact O-CA 3.36Å; V117-R302 HydrophobicContact CG2-CG 3.73Å; D170-R302 IonicContact OD1-NH1 2.96Å; D170-R302 PolarHBondContact OD1-NH1 2.96Å; G300-R302 PolarHBondContact O-N 3.04Å
303I97.3Very high95.5Very high10 Ų1050.7 Ų50.75%0.05127%0.268CS..EExtended strand (participates in β ladder)trans-134.5154-179.659.7-178.1000110.1S112 D115 G116 V118 V164 V297 E307 L309S112-I303 WeakPolarHBondContact OG-CD1 3.4Å; D115-I303 CarbonylContact C-O 3.56Å; D115-I303 WeakPolarHBondContact CA-O 3.31Å; G116-I303 PolarHBondContact N-O 3.11Å; G116-I303 PolarHBondContact O-N 3.23Å; V118-I303 HydrophobicContact CG2-CD1 3.64Å; V118-I303 HydrophobicContact CG2-CG1 4.35Å; V118-I303 HydrophobicContact CG2-CG2 4.23Å; V164-I303 HydrophobicContact CG1-CD1 4.14Å; V164-I303 HydrophobicContact CG1-CG1 4.39Å; V164-I303 HydrophobicContact CG2-CD1 3.89Å; V297-I303 HydrophobicContact CG1-CG2 3.94Å; I303-E307 VanDerWaalsContact CA-OE2 3.28Å; I303-E307 WeakPolarHBondContact CA-OE2 3.22Å; I303-L309 HydrophobicContact CD1-CD1 4.08Å
304K97.7Very high94.3Very high77 Ų7756.2 Ų56.234%0.33531%0.307SS..  trans-109.3152.7168.8-62.9177.5-177.9-179.40109.7E78 S112 A114 D115 G306 E307E78-K304 WeakPolarHBondContact OE1-CE 3.31Å; E78-K304 IonicContact OE1-NZ 3.37Å; E78-K304 PolarHBondContact OE1-NZ 3.07Å; S112-K304 WeakPolarHBondContact CB-O 3.35Å; A114-K304 CarbonylContact O-C 3.51Å; D115-K304 VanDerWaalsContact OD1-CA 3.26Å; D115-K304 WeakPolarHBondContact OD1-CA 3.38Å; K304-G306 PolarHBondContact O-N 3.45Å; K304-E307 HydrophobicContact CB-CG 4.11Å; K304-E307 PolarHBondContact N-OE2 2.67Å; K304-E307 WeakPolarHBondContact O-CB 3.26Å; K304-E307 PolarHBondContact O-N 3.28Å
305Y97.9Very high92.5Very high24 Ų2454.7 Ų54.79%0.09431%0.314CS..THydrogen-bonded Turntrans-58.9143.2176.185.2-98000110.4L98 R103 I105 S112 A114 D115 Y171 H175 E307L98-Y305 HydrophobicContact CD1-CD1 4.47Å; L98-Y305 HydrophobicContact CD1-CE1 3.92Å; R103-Y305 HydrophobicContact CB-CE1 3.86Å; R103-Y305 HydrophobicContact CB-CE2 3.82Å; R103-Y305 WeakPolarHBondContact CB-OH 3.35Å; R103-Y305 HydrophobicContact CG-CD1 4.2Å; R103-Y305 HydrophobicContact CG-CE1 3.37Å; R103-Y305 HydrophobicContact CG-CE2 4.29Å; R103-Y305 VanDerWaalsContact CG-CZ 3.42Å; R103-Y305 WeakPolarHBondContact CG-OH 3.48Å; I105-Y305 HydrophobicContact CD1-CD2 4.19Å; I105-Y305 HydrophobicContact CD1-CE2 4.03Å; S112-Y305 WeakPolarHBondContact O-CA 3.44Å; A114-Y305 PolarHBondContact O-N 3.14Å; D115-Y305 WeakPolarHBondContact OD1-CD1 3.38Å; D115-Y305 PolarHBondContact OD1-N 3.46Å; Y171-Y305 AromaticContact CD1-CD1 3.96Å; Y171-Y305 HydrophobicContact CD1-CD1 3.96Å; Y171-Y305 HydrophobicContact CD1-CE1 4.23Å; Y171-Y305 AromaticContact CE1-CD1 3.89Å; Y171-Y305 HydrophobicContact CE1-CD1 3.89Å; Y171-Y305 AromaticContact CE1-CE1 3.95Å; Y171-Y305 HydrophobicContact CE1-CE1 3.95Å; H175-Y305 HydrophobicContact CB-CD2 4.15Å; H175-Y305 AromaticContact CD2-CD2 3.9Å; H175-Y305 AromaticContact CD2-CG 3.83Å; H175-Y305 AromaticContact CE1-CE2 3.73Å; H175-Y305 AromaticContact CE1-CZ 3.81Å; H175-Y305 AromaticContact CG-CD2 3.72Å; H175-Y305 AromaticContact ND1-CD2 3.86Å; H175-Y305 AromaticContact ND1-CE2 3.73Å; H175-Y305 AromaticContact NE2-CE1 3.99Å; H175-Y305 AromaticContact NE2-CZ 3.97Å; Y305-E307 VanDerWaalsContact C-N 3.27Å; Y305-E307 PolarHBondContact O-N 3.41Å
306G97.8Very high89.8Confident0 Ų061.3 Ų61.30%035%0.35CS..THydrogen-bonded Turntrans85.1-16-176.200000115.1S106 V111 S112 K304S106-G306 WeakPolarHBondContact CB-O 3.37Å; S106-G306 PolarHBondContact N-O 3.39Å; V111-G306 WeakPolarHBondContact CG1-O 3.47Å; S112-G306 PolarHBondContact O-N 2.88Å; K304-G306 PolarHBondContact O-N 3.45Å
307E98Very high86.7Confident76 Ų7666.7 Ų66.736%0.35540%0.398SS..SBendtrans-68154.5174.6-71.1-177.5160.500112.2V111 S112 I303 K304 Y305 L309V111-E307 CarbonylContact C-O 3.42Å; V111-E307 WeakPolarHBondContact CA-O 3.26Å; V111-E307 VanDerWaalsContact CB-O 3.31Å; V111-E307 WeakPolarHBondContact CB-O 3.38Å; S112-E307 PolarHBondContact N-O 2.8Å; I303-E307 VanDerWaalsContact CA-OE2 3.28Å; I303-E307 WeakPolarHBondContact CA-OE2 3.22Å; K304-E307 HydrophobicContact CB-CG 4.11Å; K304-E307 PolarHBondContact N-OE2 2.67Å; K304-E307 WeakPolarHBondContact O-CB 3.26Å; K304-E307 PolarHBondContact O-N 3.28Å; Y305-E307 VanDerWaalsContact C-N 3.27Å; Y305-E307 PolarHBondContact O-N 3.41Å; E307-L309 PolarHBondContact O-N 2.8Å
308P97.5Very high86.2Confident57 Ų5769.4 Ų69.437%0.3742%0.415SS..EExtended strand (participates in β ladder)trans-45.7121172.2-33.239.9000113.9L108 V297L108-P308 HydrophobicContact CD1-CB 3.66Å; L108-P308 HydrophobicContact CD1-CG 4.23Å; V297-P308 WeakPolarHBondContact CG1-O 3.43Å
309L97.7Very high85.7Confident0 Ų068.8 Ų68.80%041%0.41CS..EExtended strand (participates in β ladder)trans-105.7-41.1170.3-165.873.7000111.8V110 C162 L285 F295 S296 V297 I303 E307V110-L309 HydrophobicContact CG1-CB 4.27Å; V110-L309 HydrophobicContact CG1-CD2 3.92Å; V110-L309 WeakPolarHBondContact O-CB 3.47Å; V110-L309 PolarHBondContact O-N 3.27Å; C162-L309 HydrophobicContact CB-CD2 4.25Å; L285-L309 HydrophobicContact CD1-CD2 3.63Å; F295-L309 WeakPolarHBondContact CA-O 3.27Å; F295-L309 HydrophobicContact CD1-CG 4.31Å; F295-L309 WeakPolarHBondContact CD1-O 3.32Å; F295-L309 HydrophobicContact CE1-CD2 4.47Å; F295-L309 HydrophobicContact CE1-CG 4.39Å; S296-L309 PolarHBondContact N-O 3.09Å; V297-L309 HydrophobicContact CG1-CD1 4.45Å; V297-L309 HydrophobicContact CG2-CD1 3.7Å; V297-L309 HydrophobicContact CG2-CG 4.42Å; I303-L309 HydrophobicContact CD1-CD1 4.08Å; E307-L309 PolarHBondContact O-N 2.8Å
310G95.6Very high85.3Confident0 Ų068.7 Ų68.70%041%0.408CS..EExtended strand (participates in β ladder)trans-162.7160.5175.900000113V110 Q294V110-G310 PolarHBondContact O-N 3.09Å; V110-G310 VanDerWaalsContact O-N 3.16Å; Q294-G310 CarbonylContact O-C 3.51Å; Q294-G310 WeakPolarHBondContact O-CA 3.35Å
311L94.7Very high84.9Confident54 Ų5469.9 Ų69.928%0.28340%0.402SS..EExtended strand (participates in β ladder)trans-125.7161.1177.565.3147.1000110.5L108 F293 Q294 S296 K313L108-L311 HydrophobicContact CD1-CB 4.2Å; L108-L311 HydrophobicContact CD2-CB 4.12Å; F293-L311 CarbonylContact C-O 3.58Å; F293-L311 WeakPolarHBondContact CA-O 3.28Å; Q294-L311 PolarHBondContact N-O 2.66Å; Q294-L311 PolarHBondContact O-N 3.06Å; S296-L311 VanDerWaalsContact OG-CD2 3.22Å; S296-L311 WeakPolarHBondContact OG-CD2 3.39Å; L311-K313 HydrophobicContact CD1-CG 4.23Å
312I91.5Very high84.2Confident50 Ų5070.3 Ų70.326%0.25641%0.406SS..EExtended strand (participates in β ladder)trans-101.7117.9165.9-61.8167000105.1P109 H221 P290 T292 F293 S314P109-I312 HydrophobicContact CG-CD1 4.34Å; P109-I312 HydrophobicContact CG-CG1 4.28Å; H221-I312 WeakPolarHBondContact NE2-CD1 3.49Å; P290-I312 HydrophobicContact CG-CD1 3.99Å; P290-I312 HydrophobicContact CG-CG1 4.03Å; P290-I312 HydrophobicContact CG-CG2 3.83Å; T292-I312 WeakPolarHBondContact OG1-CG2 3.28Å; F293-I312 HydrophobicContact CD2-CG1 4.05Å; I312-S314 PolarHBondContact O-N 3.49Å
313K86Confident83.4Confident102 Ų10264.6 Ų64.644%0.44339%0.394SS..  trans-64.7130.3171.9-78.6-175165.9166.70108.2T292 Q294 L311 G315T292-K313 PolarHBondContact O-N 3.43Å; T292-K313 VanDerWaalsContact O-N 3.07Å; Q294-K313 VanDerWaalsContact CD-CE 3.49Å; Q294-K313 HydrophobicContact CG-CD 4.37Å; L311-K313 HydrophobicContact CD1-CG 4.23Å; K313-G315 PolarHBondContact O-N 2.98Å
314S70.9Confident82.4Confident122 Ų12268.5 Ų68.585%0.85342%0.419SS*.  trans-56.8105.5161-43.10000106.3I312I312-S314 PolarHBondContact O-N 3.49Å
315G57.7Low81.2Confident51 Ų5167.8 Ų67.853%0.52643%0.425SS..  trans-69.3138165.100000107.4K313 A317K313-G315 PolarHBondContact O-N 2.98Å; G315-A317 PolarHBondContact O-N 2.82Å
316D38.2Very low79.8Confident176 Ų17671.5 Ų71.594%0.94145%0.453SS*.  trans-43.2107.4170.1-64.1-48.5000109
317A32.1Very low78.2Confident170 Ų17078 Ų78100%1.40549%0.494SS*.  trans-74.30168.900000109.3G315G315-A317 PolarHBondContact O-N 2.82Å

Retrieved 317 of 317 residues in 66.4 ms (Link to these results)

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