A0A3Q0KSJ8_SCHMA Loading...

Rab-18, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low76.7Confident239 Ų23987.5 Ų87.5100%1.17749%0.487SS*.  0117.60-67.1-161.6-89.400106.6G3M1-G3 PolarHBondContact O-N 2.79Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2A43.5Very low78.2Confident105 Ų10580.3 Ų80.387%0.86845%0.447SS*.  trans-58.1115.9167.700000105.9E4A2-E4 PolarHBondContact O-N 2.78Å; A2-E4 VanDerWaalsContact O-N 3.1Å
3G54.7Low79.6Confident70 Ų7074.1 Ų74.172%0.72241%0.412SS*.PPolyproline II helixtrans-59.8118.8179.900000107.6M1 E5M1-G3 PolarHBondContact O-N 2.79Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-E5 PolarHBondContact O-N 2.82Å
4E62.5Low80.7Confident166 Ų16668.8 Ų68.878%0.77638%0.383SS*.PPolyproline II helixtrans-51.7116.4173.5-117.6176.5178.600108A2 S6A2-E4 PolarHBondContact O-N 2.78Å; A2-E4 VanDerWaalsContact O-N 3.1Å; E4-S6 PolarHBondContact O-N 3.39Å
5E81.5Confident81.6Confident164 Ų16464.2 Ų64.277%0.76636%0.357SS*.PPolyproline II helixtrans-66120.9-173.6-157.1176.5-165.700108.7G3G3-E5 PolarHBondContact O-N 2.82Å
6S88.9Confident82.3Confident26 Ų2661.2 Ų61.218%0.18234%0.34CS..PPolyproline II helixtrans-80.6137.4-177.363.40000111.1E4 K8 T56 Q58E4-S6 PolarHBondContact O-N 3.39Å; S6-K8 PolarHBondContact O-N 3.03Å; S6-T56 WeakPolarHBondContact CA-O 3.34Å; S6-Q58 PolarHBondContact OG-OE1 3.48Å
7I94.4Very high82.9Confident36 Ų3661.2 Ų61.219%0.18535%0.345CS..EExtended strand (participates in β ladder)trans-75.3117.5173.4-60.8171.2000107.9I9 R55 T56 I57 Q58 L170 F175 T179I7-I9 HydrophobicContact CG2-CG1 4.31Å; I7-R55 HydrophobicContact CD1-CB 4.3Å; I7-T56 PolarHBondContact N-O 2.95Å; I7-I57 HydrophobicContact CB-CD1 3.81Å; I7-I57 HydrophobicContact CD1-CD1 4.1Å; I7-I57 HydrophobicContact CG1-CD1 4.42Å; I7-I57 HydrophobicContact CG2-CD1 4.31Å; I7-I57 WeakPolarHBondContact O-CA 3.27Å; I7-Q58 PolarHBondContact O-N 3.18Å; I7-L170 HydrophobicContact CD1-CD2 4.18Å; I7-L170 HydrophobicContact CG2-CD2 4.1Å; I7-F175 HydrophobicContact CG2-CE1 3.66Å; I7-F175 HydrophobicContact CG2-CZ 3.63Å; I7-T179 HydrophobicContact CG2-CG2 4.44Å
8K95Very high83.5Confident125 Ų12560.8 Ų60.854%0.54336%0.357SS..EExtended strand (participates in β ladder)trans-88.5122.6-177.7-65.5178.8-175172.50111S6 Q58S6-K8 PolarHBondContact O-N 3.03Å; K8-Q58 WeakPolarHBondContact CA-O 3.34Å; K8-Q58 HydrophobicContact CG-CB 4.2Å
9I95.7Very high84.2Confident0 Ų057.7 Ų57.70%034%0.339CS..EExtended strand (participates in β ladder)trans-121.9112.5177.4-61.3-179.3000109.8I7 L11 I57 Q58 N60 H83 V166 I169 L170 F175I7-I9 HydrophobicContact CG2-CG1 4.31Å; I9-L11 HydrophobicContact CG2-CD2 3.78Å; I9-L11 HydrophobicContact CG2-CG 4.1Å; I9-I57 HydrophobicContact CB-CG2 4.46Å; I9-I57 HydrophobicContact CD1-CG2 3.82Å; I9-I57 HydrophobicContact CG1-CG2 4.14Å; I9-Q58 PolarHBondContact N-O 3.3Å; I9-N60 PolarHBondContact O-N 2.83Å; I9-H83 HydrophobicContact CG2-CB 4.09Å; I9-V166 HydrophobicContact CD1-CB 4.17Å; I9-V166 HydrophobicContact CD1-CG1 3.62Å; I9-V166 HydrophobicContact CD1-CG2 3.83Å; I9-V166 HydrophobicContact CG2-CG2 4.26Å; I9-I169 HydrophobicContact CD1-CG2 4.2Å; I9-I169 HydrophobicContact CG2-CD1 3.82Å; I9-I169 HydrophobicContact CG2-CG2 4.49Å; I9-L170 HydrophobicContact CD1-CD2 4.24Å; I9-L170 HydrophobicContact CD1-CG 4.35Å; I9-F175 HydrophobicContact CD1-CZ 4.35Å; I9-F175 HydrophobicContact CG1-CE2 4.39Å; I9-F175 HydrophobicContact CG1-CZ 3.82Å
10K94.8Very high84.8Confident31 Ų3155.5 Ų55.514%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-76.3120.1168.1-172176.7174.5179.10112.1N60 S77 L78 R80 H83 G84K10-N60 WeakPolarHBondContact CA-O 3.38Å; K10-S77 PolarHBondContact NZ-O 3.09Å; K10-L78 WeakPolarHBondContact CE-O 3.38Å; K10-L78 PolarHBondContact NZ-O 3.01Å; K10-R80 PolarHBondContact NZ-O 2.92Å; K10-H83 PolarHBondContact N-ND1 3.1Å; K10-H83 PolarHBondContact O-N 2.83Å; K10-G84 PolarHBondContact O-N 2.82Å
11L96.5Very high85.4Confident0 Ų053.1 Ų53.10%031%0.314CS..EExtended strand (participates in β ladder)trans-118.5148.8173.4-59.6-178.6000110.3I9 F59 N60 W62 G84 L86 F162 L165 V166 I169I9-L11 HydrophobicContact CG2-CD2 3.78Å; I9-L11 HydrophobicContact CG2-CG 4.1Å; L11-F59 HydrophobicContact CD1-CD1 3.96Å; L11-N60 PolarHBondContact N-O 2.78Å; L11-W62 PolarHBondContact O-N 3.12Å; L11-G84 WeakPolarHBondContact CA-O 3.46Å; L11-L86 HydrophobicContact CB-CD1 4.38Å; L11-L86 HydrophobicContact CD1-CD1 4.38Å; L11-F162 HydrophobicContact CD1-CD1 4Å; L11-L165 HydrophobicContact CD2-CD2 3.89Å; L11-L165 HydrophobicContact CD2-CG 4.35Å; L11-V166 HydrophobicContact CD1-CG2 4.44Å; L11-I169 HydrophobicContact CD2-CD1 3.8Å
12I94.8Very high88.2Confident1 Ų142.9 Ų42.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-128134.6173.8-49.2170000108.8L14 W62 T64 L78 Y79 A82 G84 A85 L86I12-L14 HydrophobicContact CG2-CD1 4.44Å; I12-L14 HydrophobicContact CG2-CD2 3.9Å; I12-L14 HydrophobicContact CG2-CG 3.91Å; I12-W62 HydrophobicContact CB-CB 4.46Å; I12-W62 HydrophobicContact CG1-CB 4.22Å; I12-W62 HydrophobicContact CG2-CB 4.23Å; I12-T64 HydrophobicContact CG2-CG2 4.36Å; I12-L78 HydrophobicContact CD1-CG 4.29Å; I12-L78 WeakPolarHBondContact CD1-O 3.27Å; I12-L78 HydrophobicContact CG2-CD2 4.13Å; I12-L78 HydrophobicContact CG2-CG 4.26Å; I12-Y79 HydrophobicContact CD1-CD1 4.41Å; I12-A82 HydrophobicContact CD1-CB 3.51Å; I12-A82 HydrophobicContact CG1-CB 4.02Å; I12-G84 PolarHBondContact N-O 3.11Å; I12-G84 VanDerWaalsContact N-O 3.11Å; I12-A85 VanDerWaalsContact O-CA 3.31Å; I12-A85 WeakPolarHBondContact O-CA 3.46Å; I12-L86 PolarHBondContact O-N 2.96Å
13L96.4Very high90.8Very high0 Ų038.6 Ų38.60%023%0.229CC..EExtended strand (participates in β ladder)trans-97.4130.7168.6-76.274.9000109.4K21 L24 I25 I61 W62 T64 L86 V88 F162L13-K21 HydrophobicContact CB-CB 4.15Å; L13-K21 HydrophobicContact CB-CD 4.21Å; L13-K21 HydrophobicContact CB-CG 4.28Å; L13-K21 HydrophobicContact CD2-CB 4.05Å; L13-L24 HydrophobicContact CD2-CB 4.48Å; L13-I25 HydrophobicContact CB-CD1 4.45Å; L13-I25 HydrophobicContact CD1-CD1 3.79Å; L13-I25 HydrophobicContact CD1-CG1 3.83Å; L13-I25 HydrophobicContact CD2-CD1 3.76Å; L13-I25 HydrophobicContact CD2-CG1 3.48Å; L13-I25 VanDerWaalsContact CD2-CG1 3.48Å; L13-I25 HydrophobicContact CG-CD1 4.18Å; L13-I25 HydrophobicContact CG-CG1 4.23Å; L13-I61 HydrophobicContact CD1-CG2 3.43Å; L13-I61 VanDerWaalsContact CD1-CG2 3.43Å; L13-W62 PolarHBondContact N-O 3.37Å; L13-T64 WeakPolarHBondContact O-CG2 3.38Å; L13-T64 PolarHBondContact O-OG1 3.26Å; L13-L86 WeakPolarHBondContact CA-O 3.45Å; L13-L86 HydrophobicContact CD1-CD1 4.01Å; L13-L86 HydrophobicContact CG-CB 4.17Å; L13-L86 HydrophobicContact CG-CD1 4.32Å; L13-V88 HydrophobicContact CD2-CG2 4.32Å; L13-F162 HydrophobicContact CD1-CE1 4.09Å; L13-F162 HydrophobicContact CD1-CZ 4.32Å; L13-F162 HydrophobicContact CD2-CZ 4.33Å
14L94.4Very high92.9Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-133.5151.8-179.1-62.1166.6000109.5I12 T64 Y79 L86 F87 V88 W103 T107I12-L14 HydrophobicContact CG2-CD1 4.44Å; I12-L14 HydrophobicContact CG2-CD2 3.9Å; I12-L14 HydrophobicContact CG2-CG 3.91Å; L14-T64 HydrophobicContact CD2-CG2 4.05Å; L14-Y79 HydrophobicContact CD1-CE1 3.81Å; L14-Y79 HydrophobicContact CD2-CE1 4.25Å; L14-L86 PolarHBondContact N-O 2.94Å; L14-F87 HydrophobicContact CB-CD1 3.96Å; L14-F87 HydrophobicContact CB-CE1 4.2Å; L14-F87 HydrophobicContact CD1-CD1 4.35Å; L14-F87 HydrophobicContact CD1-CE1 3.76Å; L14-F87 CarbonylContact O-C 3.6Å; L14-F87 WeakPolarHBondContact O-CA 3.25Å; L14-V88 PolarHBondContact O-N 2.97Å; L14-W103 HydrophobicContact CB-CB 4.01Å; L14-W103 HydrophobicContact CB-CD2 4.24Å; L14-W103 HydrophobicContact CB-CE3 4.22Å; L14-W103 HydrophobicContact CB-CG 4.17Å; L14-W103 HydrophobicContact CD2-CE3 4.03Å; L14-W103 HydrophobicContact CD2-CZ3 4.4Å; L14-T107 HydrophobicContact CD1-CG2 3.4Å
15G94.8Very high94.6Very high0 Ų027.8 Ų27.80%016%0.16CC..  trans149.1163-174.400000110.9K21 G66 V88 W103G15-K21 PolarHBondContact O-NZ 3.24Å; G15-G66 WeakPolarHBondContact O-CA 3.45Å; G15-V88 WeakPolarHBondContact CA-O 3.43Å; G15-W103 VanDerWaalsContact C-NE1 3.29Å
16D93.1Very high95.3Very high16 Ų1622.3 Ų22.39%0.08613%0.132CC..  trans-58.9162.5-179-77.3-7.7000112.5V19 K21 R69 W103D16-V19 HydrophobicContact CB-CG1 4.02Å; D16-V19 WeakPolarHBondContact O-CG1 3.35Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; D16-K21 PolarHBondContact O-NZ 3.04Å; D16-R69 WeakPolarHBondContact OD1-CD 3.34Å; D16-R69 IonicContact OD1-CZ 3.91Å; D16-R69 IonicContact OD1-NH1 2.9Å; D16-R69 PolarHBondContact OD1-NH1 3.33Å; D16-R69 IonicContact OD2-NH1 2.85Å; D16-R69 PolarHBondContact OD2-NH1 3.32Å; D16-W103 PolarHBondContact OD1-NE1 3.15Å
17S92.1Very high95.8Very high61 Ų6122.8 Ų22.843%0.42713%0.13SC..THydrogen-bonded Turntrans-61.6143.4174-1650000110.9V19 A65 G66S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.3Å; S17-A65 WeakPolarHBondContact CA-O 3.17Å; S17-A65 PolarHBondContact OG-O 3.02Å; S17-G66 PolarHBondContact N-O 3.03Å
18G93.3Very high96Very high54 Ų5421.6 Ų21.656%0.55712%0.123SC*.THydrogen-bonded Turntrans78.5-1.8176.600000116.4G20 K123G18-G20 PolarHBondContact O-N 3.33Å; G18-K123 WeakPolarHBondContact O-CE 3.44Å; G18-K123 PolarHBondContact O-NZ 2.57Å
19V96.2Very high96.1Very high3 Ų316.9 Ų16.92%0.01811%0.105CC..SBendtrans-71.6-14.8176.9-56.50000113.7D16 S17 K21 V88 D90 N122D16-V19 HydrophobicContact CB-CG1 4.02Å; D16-V19 WeakPolarHBondContact O-CG1 3.35Å; D16-V19 WeakPolarHBondContact O-CG2 3.48Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.3Å; V19-K21 HydrophobicContact CG2-CD 4.44Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; V19-V88 HydrophobicContact CB-CG1 4.23Å; V19-V88 HydrophobicContact CG2-CB 3.85Å; V19-V88 HydrophobicContact CG2-CG1 3.78Å; V19-D90 HydrophobicContact CB-CB 4.48Å; V19-D90 HydrophobicContact CG1-CB 4.36Å; V19-N122 PolarHBondContact O-ND2 3.1Å
20G96.9Very high96.1Very high12 Ų1221.2 Ų21.212%0.12413%0.128CC..SBendtrans100.827173.600000116.3G18 S23 L24G18-G20 PolarHBondContact O-N 3.33Å; G20-S23 PolarHBondContact O-N 3.15Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 WeakPolarHBondContact O-CG 3.41Å; G20-L24 PolarHBondContact O-N 3.13Å
21K96.8Very high96.2Very high6 Ų624.9 Ų24.93%0.02615%0.149CC..Hα-helixtrans-55-55.8176.3-60.2-177.3-60.8-77.50112.1L13 G15 D16 V19 S23 L24 I25 D63 T64 A65 G66 V88L13-K21 HydrophobicContact CB-CB 4.15Å; L13-K21 HydrophobicContact CB-CD 4.21Å; L13-K21 HydrophobicContact CB-CG 4.28Å; L13-K21 HydrophobicContact CD2-CB 4.05Å; G15-K21 PolarHBondContact O-NZ 3.24Å; D16-K21 PolarHBondContact O-NZ 3.04Å; V19-K21 HydrophobicContact CG2-CD 4.44Å; V19-K21 HydrophobicContact CG2-CG 3.81Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 3.08Å; K21-L24 WeakPolarHBondContact O-CB 3.34Å; K21-L24 PolarHBondContact O-N 3.01Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-I25 WeakPolarHBondContact O-CG1 3.39Å; K21-I25 PolarHBondContact O-N 2.88Å; K21-D63 WeakPolarHBondContact CB-OD1 3.38Å; K21-T64 WeakPolarHBondContact CE-O 3.38Å; K21-T64 VanDerWaalsContact CE-OG1 3.29Å; K21-T64 WeakPolarHBondContact CE-OG1 3.41Å; K21-A65 PolarHBondContact NZ-O 3.39Å; K21-G66 VanDerWaalsContact NZ-CA 3.26Å; K21-V88 HydrophobicContact CG-CB 4.03Å; K21-V88 HydrophobicContact CG-CG2 4.03Å
22T96.4Very high96.2Very high24 Ų2433.1 Ų33.115%0.14718%0.18CC..Hα-helixtrans-58.6-42.9177.9-470000112.3L24 I25 R26 E37 T40 D63T22-L24 PolarHBondContact O-N 3.48Å; T22-I25 PolarHBondContact O-N 3.21Å; T22-R26 WeakPolarHBondContact O-CB 3.33Å; T22-R26 PolarHBondContact O-N 3.27Å; T22-E37 WeakPolarHBondContact CG2-OE1 3.47Å; T22-T40 PolarHBondContact OG1-OG1 2.94Å; T22-D63 WeakPolarHBondContact CA-OD2 3.19Å; T22-D63 WeakPolarHBondContact CB-OD2 3.42Å; T22-D63 VanDerWaalsContact CG2-OD2 3.28Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.36Å; T22-D63 PolarHBondContact N-OD1 2.88Å; T22-D63 PolarHBondContact OG1-OD1 3.17Å; T22-D63 PolarHBondContact OG1-OD2 3.07Å
23S97.7Very high96.4Very high16 Ų1636 Ų3611%0.11219%0.193CC..Hα-helixtrans-66.5-36.2178.7-420000112.3G20 K21 R27 E37G20-S23 PolarHBondContact O-N 3.15Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 3.08Å; S23-R27 VanDerWaalsContact O-CB 3.25Å; S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 2.84Å; S23-E37 PolarHBondContact OG-OE2 3.15Å
24L98.4Very high96.3Very high4 Ų439.9 Ų39.92%0.02121%0.213CC..Hα-helixtrans-64.8-45.8172.8-77.6169.7000111.6L13 G20 K21 T22 R27 F28 V88 V120 N122 T150 A152 V158L13-L24 HydrophobicContact CD2-CB 4.48Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 WeakPolarHBondContact O-CG 3.41Å; G20-L24 PolarHBondContact O-N 3.13Å; K21-L24 WeakPolarHBondContact O-CB 3.34Å; K21-L24 PolarHBondContact O-N 3.01Å; K21-L24 VanDerWaalsContact O-N 3.16Å; T22-L24 PolarHBondContact O-N 3.48Å; L24-R27 PolarHBondContact O-N 2.87Å; L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 3.32Å; L24-V88 HydrophobicContact CD1-CG1 3.74Å; L24-V88 HydrophobicContact CD1-CG2 4.01Å; L24-V120 HydrophobicContact CD1-CG1 4.07Å; L24-N122 HydrophobicContact CD1-CB 4.28Å; L24-T150 WeakPolarHBondContact CD2-OG1 3.19Å; L24-A152 HydrophobicContact CD2-CB 3.99Å; L24-A152 HydrophobicContact CG-CB 4.19Å; L24-V158 HydrophobicContact CD2-CG1 4.13Å; L24-V158 HydrophobicContact CD2-CG2 3.76Å
25I98Very high96.2Very high4 Ų446.1 Ų46.12%0.02124%0.242CC..Hα-helixtrans-61.9-48.2178-62.9168000109.9L13 K21 T22 R27 F28 V29 K46 I61 D63 F162L13-I25 HydrophobicContact CB-CD1 4.45Å; L13-I25 HydrophobicContact CD1-CD1 3.79Å; L13-I25 HydrophobicContact CD1-CG1 3.83Å; L13-I25 HydrophobicContact CD2-CD1 3.76Å; L13-I25 HydrophobicContact CD2-CG1 3.48Å; L13-I25 VanDerWaalsContact CD2-CG1 3.48Å; L13-I25 HydrophobicContact CG-CD1 4.18Å; L13-I25 HydrophobicContact CG-CG1 4.23Å; K21-I25 WeakPolarHBondContact O-CG1 3.39Å; K21-I25 PolarHBondContact O-N 2.88Å; T22-I25 PolarHBondContact O-N 3.21Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 2.97Å; I25-F28 PolarHBondContact O-N 3.31Å; I25-F28 VanDerWaalsContact O-N 3.16Å; I25-V29 HydrophobicContact CG2-CG2 4.06Å; I25-V29 WeakPolarHBondContact O-CB 3.45Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.5Å; I25-V29 PolarHBondContact O-N 3.34Å; I25-K46 HydrophobicContact CG2-CB 3.89Å; I25-K46 HydrophobicContact CG2-CG 3.75Å; I25-I61 HydrophobicContact CD1-CG2 3.83Å; I25-I61 HydrophobicContact CG1-CG2 3.92Å; I25-I61 HydrophobicContact CG2-CD1 4.49Å; I25-I61 HydrophobicContact CG2-CG2 4.29Å; I25-D63 HydrophobicContact CD1-CB 3.38Å; I25-F162 HydrophobicContact CG1-CZ 4.33Å
26R97.3Very high95.9Very high49 Ų4954.2 Ų54.219%0.18529%0.285CS..Hα-helixtrans-60.2-43.8177.3-174-179.4-62.7108.54.6111.6T22 F28 V29 D30 D31 R32 E37T22-R26 WeakPolarHBondContact O-CB 3.33Å; T22-R26 PolarHBondContact O-N 3.27Å; R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 2.94Å; R26-V29 PolarHBondContact O-N 2.89Å; R26-D30 HydrophobicContact CG-CB 4.1Å; R26-D30 WeakPolarHBondContact O-CA 3.33Å; R26-D30 WeakPolarHBondContact O-CB 3.36Å; R26-D30 PolarHBondContact O-N 2.9Å; R26-D31 PolarHBondContact O-N 3.22Å; R26-R32 HydrophobicContact CG-CB 4.15Å; R26-R32 WeakPolarHBondContact CG-O 3.42Å; R26-E37 IonicContact CZ-OE1 3.02Å; R26-E37 IonicContact CZ-OE2 3.99Å; R26-E37 IonicContact NH1-OE1 2.66Å; R26-E37 PolarHBondContact NH1-OE1 2.6Å; R26-E37 IonicContact NH1-OE2 2.93Å; R26-E37 PolarHBondContact NH1-OE2 3.04Å; R26-E37 IonicContact NH2-OE1 2.59Å; R26-E37 PolarHBondContact NH2-OE1 3.04Å
27R98.2Very high95.7Very high37 Ų3756 Ų5614%0.1429%0.293CS..Hα-helixtrans-61.4-39177.9176.355.873.3-177.76.2111.1S23 L24 I25 D31 R32 A152 K153 S155 V158S23-R27 VanDerWaalsContact O-CB 3.25Å; S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 2.84Å; L24-R27 PolarHBondContact O-N 2.87Å; I25-R27 VanDerWaalsContact C-N 3.32Å; I25-R27 PolarHBondContact O-N 2.97Å; R27-D31 WeakPolarHBondContact CD-OD1 3.33Å; R27-D31 IonicContact CZ-OD1 3.39Å; R27-D31 PolarHBondContact NH1-O 3.35Å; R27-D31 IonicContact NH1-OD1 2.78Å; R27-D31 PolarHBondContact NH1-OD1 3.02Å; R27-D31 VanDerWaalsContact O-CA 3.25Å; R27-D31 WeakPolarHBondContact O-CA 3.45Å; R27-D31 PolarHBondContact O-N 3.49Å; R27-R32 WeakPolarHBondContact CA-O 3.11Å; R27-R32 PolarHBondContact N-O 3.27Å; R27-A152 PolarHBondContact NE-O 2.79Å; R27-K153 PolarHBondContact NH2-O 3.4Å; R27-S155 WeakPolarHBondContact CD-OG 3.4Å; R27-V158 HydrophobicContact CB-CG1 4.1Å; R27-V158 HydrophobicContact CG-CB 4.05Å; R27-V158 HydrophobicContact CG-CG1 3.85Å; R27-V158 HydrophobicContact CG-CG2 3.95Å
28F98.3Very high95.5Very high10 Ų1057.1 Ų57.14%0.04431%0.306CS..Hα-helixtrans-70.1-45.6177.6177.6-120.2000113.3L24 I25 R26 Y48 M50 F59 I61 V158 R159 F162L24-F28 WeakPolarHBondContact O-CB 3.48Å; L24-F28 PolarHBondContact O-N 3.32Å; I25-F28 PolarHBondContact O-N 3.31Å; I25-F28 VanDerWaalsContact O-N 3.16Å; R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 2.94Å; F28-Y48 HydrophobicContact CD1-CD1 4.11Å; F28-Y48 HydrophobicContact CD1-CE1 4.41Å; F28-Y48 AromaticContact CE1-CD1 3.47Å; F28-Y48 HydrophobicContact CE1-CD1 3.47Å; F28-Y48 VanDerWaalsContact CE1-CD1 3.47Å; F28-Y48 AromaticContact CE1-CE1 3.84Å; F28-Y48 HydrophobicContact CE1-CE1 3.84Å; F28-Y48 HydrophobicContact CE2-CE1 4.19Å; F28-Y48 AromaticContact CZ-CD1 3.78Å; F28-Y48 HydrophobicContact CZ-CD1 3.78Å; F28-Y48 AromaticContact CZ-CE1 3.7Å; F28-Y48 HydrophobicContact CZ-CE1 3.7Å; F28-M50 HydrophobicContact CE2-SD 4.03Å; F28-M50 HydrophobicContact CZ-SD 3.86Å; F28-F59 AromaticContact CE1-CD1 3.82Å; F28-F59 HydrophobicContact CE1-CD1 3.82Å; F28-F59 AromaticContact CE1-CE1 3.99Å; F28-F59 HydrophobicContact CE1-CE1 3.99Å; F28-F59 HydrophobicContact CE1-CG 4.17Å; F28-F59 HydrophobicContact CZ-CD1 4.06Å; F28-F59 AromaticContact CZ-CE1 3.74Å; F28-F59 HydrophobicContact CZ-CE1 3.74Å; F28-F59 HydrophobicContact CZ-CE2 4.42Å; F28-F59 AromaticContact CZ-CZ 3.96Å; F28-F59 HydrophobicContact CZ-CZ 3.96Å; F28-I61 HydrophobicContact CD1-CD1 3.86Å; F28-I61 HydrophobicContact CE1-CD1 3.99Å; F28-V158 HydrophobicContact CB-CG1 4.06Å; F28-R159 HydrophobicContact CE2-CG 4.29Å; F28-F162 HydrophobicContact CB-CD2 3.73Å; F28-F162 HydrophobicContact CB-CE2 3.65Å; F28-F162 HydrophobicContact CB-CG 4.45Å; F28-F162 HydrophobicContact CB-CZ 4.3Å; F28-F162 HydrophobicContact CD1-CB 4.15Å; F28-F162 AromaticContact CD1-CD1 3.88Å; F28-F162 HydrophobicContact CD1-CD1 3.88Å; F28-F162 AromaticContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CE1 4.21Å; F28-F162 HydrophobicContact CD1-CE2 4.2Å; F28-F162 AromaticContact CD1-CG 3.69Å; F28-F162 HydrophobicContact CD1-CG 3.69Å; F28-F162 HydrophobicContact CD1-CZ 4.36Å; F28-F162 HydrophobicContact CD2-CB 3.97Å; F28-F162 AromaticContact CD2-CD2 3.8Å; F28-F162 HydrophobicContact CD2-CD2 3.8Å; F28-F162 HydrophobicContact CD2-CG 4.03Å; F28-F162 HydrophobicContact CE1-CB 3.84Å; F28-F162 AromaticContact CE1-CD1 3.99Å; F28-F162 HydrophobicContact CE1-CD1 3.99Å; F28-F162 HydrophobicContact CE1-CD2 4.41Å; F28-F162 AromaticContact CE1-CG 3.84Å; F28-F162 HydrophobicContact CE1-CG 3.84Å; F28-F162 HydrophobicContact CE2-CB 3.65Å; F28-F162 HydrophobicContact CE2-CD2 4.37Å; F28-F162 HydrophobicContact CE2-CG 4.17Å; F28-F162 HydrophobicContact CG-CB 4.2Å; F28-F162 HydrophobicContact CG-CD1 4.39Å; F28-F162 AromaticContact CG-CD2 3.5Å; F28-F162 HydrophobicContact CG-CD2 3.5Å; F28-F162 AromaticContact CG-CE2 3.91Å; F28-F162 HydrophobicContact CG-CE2 3.91Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.49Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CG 4.08Å
29V97.4Very high95.2Very high27 Ų2758.2 Ų58.216%0.16431%0.31CS..Hα-helixtrans-82.9-44.5-171.41760000112.2I25 R26 Y48 I61I25-V29 HydrophobicContact CG2-CG2 4.06Å; I25-V29 WeakPolarHBondContact O-CB 3.45Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.5Å; I25-V29 PolarHBondContact O-N 3.34Å; R26-V29 PolarHBondContact O-N 2.89Å; V29-Y48 HydrophobicContact CB-CD2 4.26Å; V29-Y48 HydrophobicContact CB-CG 4.37Å; V29-Y48 HydrophobicContact CG1-CD2 3.76Å; V29-Y48 HydrophobicContact CG1-CE2 4.47Å; V29-Y48 HydrophobicContact CG1-CG 4.15Å; V29-Y48 HydrophobicContact CG2-CD1 4.47Å; V29-Y48 HydrophobicContact CG2-CD2 4.37Å; V29-Y48 HydrophobicContact CG2-CG 3.99Å; V29-Y48 WeakPolarHBondContact O-CE2 3.31Å; V29-I61 HydrophobicContact CG2-CD1 4.08Å
30D96.5Very high94.5Very high91 Ų9159.7 Ų59.749%0.48732%0.319SS..Hα-helixtrans-109.9-5.5-170.6-59.5-34.2000113.5R26 R32R26-D30 HydrophobicContact CG-CB 4.1Å; R26-D30 WeakPolarHBondContact O-CA 3.33Å; R26-D30 WeakPolarHBondContact O-CB 3.36Å; R26-D30 PolarHBondContact O-N 2.9Å; D30-R32 HydrophobicContact CB-CB 4.28Å; D30-R32 HydrophobicContact CB-CG 4.38Å; D30-R32 WeakPolarHBondContact O-CG 3.33Å; D30-R32 PolarHBondContact O-N 3.32Å
31D97.1Very high93.8Very high107 Ų10767 Ų6757%0.57235%0.353SS*.SBendtrans48.343.1-168.4-164.624.3000113.4R26 R27R26-D31 PolarHBondContact O-N 3.22Å; R27-D31 WeakPolarHBondContact CD-OD1 3.33Å; R27-D31 IonicContact CZ-OD1 3.39Å; R27-D31 PolarHBondContact NH1-O 3.35Å; R27-D31 IonicContact NH1-OD1 2.78Å; R27-D31 PolarHBondContact NH1-OD1 3.02Å; R27-D31 VanDerWaalsContact O-CA 3.25Å; R27-D31 WeakPolarHBondContact O-CA 3.45Å; R27-D31 PolarHBondContact O-N 3.49Å
32R96.9Very high93Very high174 Ų17468.8 Ų68.866%0.65737%0.374SS*.  trans-128.8146.8-179.6-72.7175.8-172.8-169.81.7112.1R26 R27 D30R26-R32 HydrophobicContact CG-CB 4.15Å; R26-R32 WeakPolarHBondContact CG-O 3.42Å; R27-R32 WeakPolarHBondContact CA-O 3.11Å; R27-R32 PolarHBondContact N-O 3.27Å; D30-R32 HydrophobicContact CB-CB 4.28Å; D30-R32 HydrophobicContact CB-CG 4.38Å; D30-R32 WeakPolarHBondContact O-CG 3.33Å; D30-R32 PolarHBondContact O-N 3.32Å
33F97.4Very high92.5Very high61 Ų6173.2 Ų73.227%0.26839%0.391SS..  trans-124.4135.3169.2-177.5-99000109.6H35 A152 K153F33-H35 AromaticContact CE1-CE1 3.79Å; F33-H35 AromaticContact CE1-ND1 3.63Å; F33-A152 HydrophobicContact CD2-CB 4.06Å; F33-A152 WeakPolarHBondContact CD2-O 3.48Å; F33-A152 HydrophobicContact CE2-CB 4.08Å; F33-K153 HydrophobicContact CD1-CB 4.33Å; F33-K153 HydrophobicContact CD1-CG 4.1Å; F33-K153 HydrophobicContact CD2-CB 4.3Å; F33-K153 HydrophobicContact CE1-CB 4.07Å; F33-K153 HydrophobicContact CE1-CG 3.87Å; F33-K153 HydrophobicContact CE2-CB 4.03Å; F33-K153 HydrophobicContact CG-CB 4.43Å; F33-K153 HydrophobicContact CZ-CB 3.91Å; F33-K153 HydrophobicContact CZ-CG 4.2Å
34I95.5Very high92.1Very high81 Ų8175.4 Ų75.442%0.41540%0.402SS..  trans-112.9122.3179.1-61-177.4000107.6
35H92.3Very high91.8Very high132 Ų13279 Ų7961%0.61142%0.418SS*.THydrogen-bonded Turntrans-70.2141.9171-64.4-74.8000110F33 E37F33-H35 AromaticContact CE1-CE1 3.79Å; F33-H35 AromaticContact CE1-ND1 3.63Å; H35-E37 VanDerWaalsContact C-N 3.27Å; H35-E37 PolarHBondContact O-N 2.76Å
36N88.9Confident91.6Very high169 Ų16982.6 Ų82.690%0.90443%0.433SS*.THydrogen-bonded Turntrans54.942.4177.2-53.3-32.5000113.3A38N36-A38 PolarHBondContact O-N 3.11Å
37E87.9Confident91.6Very high53 Ų5383.8 Ų83.825%0.24845%0.447CS..PPolyproline II helixtrans-56.1133175.7173.2158.7-141.400112T22 S23 R26 H35T22-E37 WeakPolarHBondContact CG2-OE1 3.47Å; S23-E37 PolarHBondContact OG-OE2 3.15Å; R26-E37 IonicContact CZ-OE1 3.02Å; R26-E37 IonicContact CZ-OE2 3.99Å; R26-E37 IonicContact NH1-OE1 2.66Å; R26-E37 PolarHBondContact NH1-OE1 2.6Å; R26-E37 IonicContact NH1-OE2 2.93Å; R26-E37 PolarHBondContact NH1-OE2 3.04Å; R26-E37 IonicContact NH2-OE1 2.59Å; R26-E37 PolarHBondContact NH2-OE1 3.04Å; H35-E37 VanDerWaalsContact C-N 3.27Å; H35-E37 PolarHBondContact O-N 2.76Å
38A87.6Confident91.5Very high85 Ų8584.7 Ų84.770%0.70245%0.451SS*.PPolyproline II helixtrans-64.8150.7176.400000111.1N36 T40N36-A38 PolarHBondContact O-N 3.11Å; A38-T40 PolarHBondContact O-N 2.99Å
39A87.3Confident91.5Very high78 Ų7889.8 Ų89.865%0.64547%0.474SS*.PPolyproline II helixtrans-61.8132.6177.200000111I41A39-I41 PolarHBondContact O-N 3.35Å
40T81.6Confident91.5Very high33 Ų3389.4 Ų89.420%0.20247%0.471CS..PPolyproline II helixtrans-63.6133.6175.2-54.10000110.1T22 A38 A65T22-T40 PolarHBondContact OG1-OG1 2.94Å; A38-T40 PolarHBondContact O-N 2.99Å; T40-A65 WeakPolarHBondContact O-CB 3.21Å
41I81.5Confident91.4Very high165 Ų16589.3 Ų89.385%0.84647%0.474SS*.  trans-98.9114.2179-58.1176.5000107.9A39 F43A39-I41 PolarHBondContact O-N 3.35Å; I41-F43 PolarHBondContact O-N 3.39Å
42G80.9Confident91.4Very high45 Ų4584.4 Ų84.446%0.46445%0.447SS..SBendtrans70.1-118.7179.400000112.8A65G42-A65 WeakPolarHBondContact O-CB 3.39Å; G42-A65 PolarHBondContact O-N 3.46Å
43F85.5Confident91.2Very high117 Ų11781 Ų8151%0.51344%0.442SS..EExtended strand (participates in β ladder)trans-135.3151.2178.759.3-96.2000110.7I41 W62 D63I41-F43 PolarHBondContact O-N 3.39Å; F43-W62 AromaticContact CD2-CE3 3.94Å; F43-W62 HydrophobicContact CD2-CE3 3.94Å; F43-W62 AromaticContact CD2-CZ3 3.6Å; F43-W62 HydrophobicContact CD2-CZ3 3.6Å; F43-W62 HydrophobicContact CE2-CE3 4.49Å; F43-W62 AromaticContact CE2-CZ3 3.71Å; F43-W62 HydrophobicContact CE2-CZ3 3.71Å; F43-D63 CarbonylContact C-O 3.57Å; F43-D63 WeakPolarHBondContact CA-O 3.2Å; F43-D63 VanDerWaalsContact CB-O 3.31Å; F43-D63 WeakPolarHBondContact CB-O 3.29Å
44D89.4Confident91Very high62 Ų6281.5 Ų81.533%0.33247%0.465SS..EExtended strand (participates in β ladder)trans-129148.9176.8-168.213.4000110.4K46 D63D44-K46 IonicContact OD1-NZ 3.83Å; D44-K46 WeakPolarHBondContact OD2-CE 3.42Å; D44-K46 IonicContact OD2-NZ 2.64Å; D44-K46 PolarHBondContact OD2-NZ 3.49Å; D44-D63 HydrophobicContact CB-CB 4.23Å; D44-D63 PolarHBondContact N-O 2.84Å; D44-D63 PolarHBondContact O-N 3.4Å
45F91.7Very high90.9Very high80 Ų8083.6 Ų83.635%0.35147%0.468SS..EExtended strand (participates in β ladder)trans-112.5120.2-180173-113.6000110.2P47 N60 W62F45-P47 HydrophobicContact CE1-CB 4.07Å; F45-P47 HydrophobicContact CE1-CG 4.03Å; F45-P47 HydrophobicContact CZ-CB 4.03Å; F45-P47 HydrophobicContact CZ-CG 4.46Å; F45-N60 HydrophobicContact CE2-CB 3.73Å; F45-N60 HydrophobicContact CZ-CB 4.17Å; F45-N60 WeakPolarHBondContact CZ-OD1 3.45Å; F45-W62 HydrophobicContact CB-CZ3 4.49Å; F45-W62 HydrophobicContact CD2-CD2 4.28Å; F45-W62 AromaticContact CD2-CE2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 4.15Å; F45-W62 AromaticContact CD2-NE1 3.88Å
46K95.1Very high91.1Very high79 Ų7978.5 Ų78.534%0.34345%0.446SS..EExtended strand (participates in β ladder)trans-116.9100.8179.5-64.3-53.1-166.3-1480111.1I25 D44 I61I25-K46 HydrophobicContact CG2-CB 3.89Å; I25-K46 HydrophobicContact CG2-CG 3.75Å; D44-K46 IonicContact OD1-NZ 3.83Å; D44-K46 WeakPolarHBondContact OD2-CE 3.42Å; D44-K46 IonicContact OD2-NZ 2.64Å; D44-K46 PolarHBondContact OD2-NZ 3.49Å; K46-I61 HydrophobicContact CB-CB 4.36Å; K46-I61 PolarHBondContact N-O 2.72Å; K46-I61 WeakPolarHBondContact O-CB 3.37Å; K46-I61 PolarHBondContact O-N 3.09Å
47P96.3Very high91.5Very high73 Ų7370.5 Ų70.547%0.47440%0.403SS..EExtended strand (participates in β ladder)trans-75.7134.516831.1-31.8000110F45 F59F45-P47 HydrophobicContact CE1-CB 4.07Å; F45-P47 HydrophobicContact CE1-CG 4.03Å; F45-P47 HydrophobicContact CZ-CB 4.03Å; F45-P47 HydrophobicContact CZ-CG 4.46Å; P47-F59 CarbonylContact C-O 3.58Å; P47-F59 WeakPolarHBondContact CA-O 3.15Å
48Y97.4Very high91.9Very high57 Ų5770.2 Ų70.222%0.22440%0.401CS..EExtended strand (participates in β ladder)trans-144.4139.3174.4179.2-115.8000110.1F28 V29 M50 Q58 F59F28-Y48 HydrophobicContact CD1-CD1 4.11Å; F28-Y48 HydrophobicContact CD1-CE1 4.41Å; F28-Y48 AromaticContact CE1-CD1 3.47Å; F28-Y48 HydrophobicContact CE1-CD1 3.47Å; F28-Y48 VanDerWaalsContact CE1-CD1 3.47Å; F28-Y48 AromaticContact CE1-CE1 3.84Å; F28-Y48 HydrophobicContact CE1-CE1 3.84Å; F28-Y48 HydrophobicContact CE2-CE1 4.19Å; F28-Y48 AromaticContact CZ-CD1 3.78Å; F28-Y48 HydrophobicContact CZ-CD1 3.78Å; F28-Y48 AromaticContact CZ-CE1 3.7Å; F28-Y48 HydrophobicContact CZ-CE1 3.7Å; V29-Y48 HydrophobicContact CB-CD2 4.26Å; V29-Y48 HydrophobicContact CB-CG 4.37Å; V29-Y48 HydrophobicContact CG1-CD2 3.76Å; V29-Y48 HydrophobicContact CG1-CE2 4.47Å; V29-Y48 HydrophobicContact CG1-CG 4.15Å; V29-Y48 HydrophobicContact CG2-CD1 4.47Å; V29-Y48 HydrophobicContact CG2-CD2 4.37Å; V29-Y48 HydrophobicContact CG2-CG 3.99Å; V29-Y48 WeakPolarHBondContact O-CE2 3.31Å; Y48-M50 HydrophobicContact CD1-CG 4.44Å; Y48-M50 HydrophobicContact CE1-CB 4.06Å; Y48-M50 HydrophobicContact CE1-CG 3.91Å; Y48-M50 HydrophobicContact CE1-SD 3.91Å; Y48-Q58 CarbonylContact O-C 3.53Å; Y48-F59 HydrophobicContact CD1-CD2 4.27Å; Y48-F59 PolarHBondContact N-O 3.33Å; Y48-F59 WeakPolarHBondContact O-CA 3.46Å; Y48-F59 WeakPolarHBondContact O-CB 3.47Å; Y48-F59 PolarHBondContact O-N 2.86Å
49Q97.3Very high92.4Very high116 Ų11666.1 Ų66.154%0.54237%0.368SS..EExtended strand (participates in β ladder)trans-122.9132.2-178.8-175.4175.4-45.300110.3T56 I57Q49-T56 HydrophobicContact CG-CG2 3.8Å; Q49-I57 VanDerWaalsContact CA-O 3.31Å; Q49-I57 WeakPolarHBondContact CA-O 3.44Å
50M96.7Very high92.8Very high20 Ų2063.6 Ų63.610%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-151.4164.9171.562.4168.3-72.700111.1F28 Y48 V52 I57 F59 V163F28-M50 HydrophobicContact CE2-SD 4.03Å; F28-M50 HydrophobicContact CZ-SD 3.86Å; Y48-M50 HydrophobicContact CD1-CG 4.44Å; Y48-M50 HydrophobicContact CE1-CB 4.06Å; Y48-M50 HydrophobicContact CE1-CG 3.91Å; Y48-M50 HydrophobicContact CE1-SD 3.91Å; M50-V52 HydrophobicContact CE-CG2 3.91Å; M50-V52 HydrophobicContact CG-CG2 4.3Å; M50-V52 HydrophobicContact SD-CG2 4.43Å; M50-I57 PolarHBondContact N-O 3.47Å; M50-I57 VanDerWaalsContact N-O 3.09Å; M50-I57 PolarHBondContact O-N 2.83Å; M50-F59 HydrophobicContact CG-CD2 4.16Å; M50-F59 HydrophobicContact CG-CE2 3.37Å; M50-F59 HydrophobicContact CG-CZ 4.01Å; M50-F59 HydrophobicContact SD-CE2 4.08Å; M50-F59 HydrophobicContact SD-CZ 4.13Å; M50-V163 HydrophobicContact CE-CG2 3.94Å; M50-V163 HydrophobicContact SD-CG2 4.15Å
51V96Very high93.6Very high89 Ų8962 Ų6254%0.53933%0.334SS..EExtended strand (participates in β ladder)trans-84.9125.5172.7179.50000109.4R55V51-R55 CarbonylContact C-O 3.55Å; V51-R55 WeakPolarHBondContact CA-O 3.32Å
52V95.8Very high94.2Very high3 Ų357 Ų572%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-120118.9171.1179.30000107.7M50 G54 R55 I57 F59 V163 V166 R167M50-V52 HydrophobicContact CE-CG2 3.91Å; M50-V52 HydrophobicContact CG-CG2 4.3Å; M50-V52 HydrophobicContact SD-CG2 4.43Å; V52-G54 VanDerWaalsContact C-N 3.26Å; V52-G54 PolarHBondContact O-N 3.11Å; V52-R55 PolarHBondContact N-O 3.2Å; V52-R55 PolarHBondContact O-N 3.42Å; V52-I57 HydrophobicContact CB-CG1 3.84Å; V52-I57 HydrophobicContact CG2-CB 4.45Å; V52-I57 HydrophobicContact CG2-CG1 3.96Å; V52-F59 HydrophobicContact CG2-CE2 4.33Å; V52-F59 HydrophobicContact CG2-CZ 4.04Å; V52-V163 HydrophobicContact CG1-CG1 3.86Å; V52-V163 HydrophobicContact CG2-CG1 4.36Å; V52-V163 HydrophobicContact CG2-CG2 4.48Å; V52-V166 HydrophobicContact CG1-CG1 4.35Å; V52-V166 HydrophobicContact CG2-CG1 4.36Å; V52-R167 HydrophobicContact CG1-CG 4Å
53D93.8Very high94.8Very high102 Ų10255 Ų5555%0.54528%0.283SS..THydrogen-bonded Turntrans48.146.5177.4-52.5-19.4000113.2R55 R167D53-R55 VanDerWaalsContact C-N 3.3Å; D53-R55 PolarHBondContact O-N 3.49Å; D53-R167 IonicContact OD1-CZ 2.7Å; D53-R167 IonicContact OD1-NE 3.79Å; D53-R167 PolarHBondContact OD1-NE 3.06Å; D53-R167 IonicContact OD1-NH2 3.04Å; D53-R167 PolarHBondContact OD1-NH2 3.43Å; D53-R167 WeakPolarHBondContact OD2-CD 3.29Å; D53-R167 WeakPolarHBondContact OD2-CG 3.35Å; D53-R167 IonicContact OD2-CZ 2.76Å; D53-R167 IonicContact OD2-NE 4Å; D53-R167 PolarHBondContact OD2-NE 3.25Å; D53-R167 IonicContact OD2-NH2 2.6Å
54G93.4Very high94.9Very high72 Ų7249.5 Ų49.574%0.74226%0.259SS*.THydrogen-bonded Turntrans79.40.8178.600000115.6V52V52-G54 VanDerWaalsContact C-N 3.26Å; V52-G54 PolarHBondContact O-N 3.11Å
55R93.3Very high94.6Very high126 Ų12646.9 Ų46.948%0.47525%0.246SC..EExtended strand (participates in β ladder)trans-110.6137178-54.7-176.5-145.2-135.14.1111.2I7 V51 V52 D53 I57I7-R55 HydrophobicContact CD1-CB 4.3Å; V51-R55 CarbonylContact C-O 3.55Å; V51-R55 WeakPolarHBondContact CA-O 3.32Å; V52-R55 PolarHBondContact N-O 3.2Å; V52-R55 PolarHBondContact O-N 3.42Å; D53-R55 VanDerWaalsContact C-N 3.3Å; D53-R55 PolarHBondContact O-N 3.49Å; R55-I57 HydrophobicContact CB-CD1 3.98Å; R55-I57 PolarHBondContact O-N 3Å
56T95.9Very high93.6Very high25 Ų2543.1 Ų43.115%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-75.9111.9173.4-63.10000109.9S6 I7 Q49S6-T56 WeakPolarHBondContact CA-O 3.34Å; I7-T56 PolarHBondContact N-O 2.95Å; Q49-T56 HydrophobicContact CG-CG2 3.8Å
57I96.8Very high92.4Very high0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-107.7128.3-179.2-52.2-53.5000109.8I7 I9 Q49 M50 V52 R55 F59 V166 L170I7-I57 HydrophobicContact CB-CD1 3.81Å; I7-I57 HydrophobicContact CD1-CD1 4.1Å; I7-I57 HydrophobicContact CG1-CD1 4.42Å; I7-I57 HydrophobicContact CG2-CD1 4.31Å; I7-I57 WeakPolarHBondContact O-CA 3.27Å; I9-I57 HydrophobicContact CB-CG2 4.46Å; I9-I57 HydrophobicContact CD1-CG2 3.82Å; I9-I57 HydrophobicContact CG1-CG2 4.14Å; Q49-I57 VanDerWaalsContact CA-O 3.31Å; Q49-I57 WeakPolarHBondContact CA-O 3.44Å; M50-I57 PolarHBondContact N-O 3.47Å; M50-I57 VanDerWaalsContact N-O 3.09Å; M50-I57 PolarHBondContact O-N 2.83Å; V52-I57 HydrophobicContact CB-CG1 3.84Å; V52-I57 HydrophobicContact CG2-CB 4.45Å; V52-I57 HydrophobicContact CG2-CG1 3.96Å; R55-I57 HydrophobicContact CB-CD1 3.98Å; R55-I57 PolarHBondContact O-N 3Å; I57-F59 HydrophobicContact CB-CD2 4.31Å; I57-F59 HydrophobicContact CB-CE2 3.8Å; I57-F59 HydrophobicContact CG2-CD2 3.88Å; I57-F59 HydrophobicContact CG2-CE2 3.63Å; I57-F59 HydrophobicContact CG2-CZ 4.15Å; I57-V166 HydrophobicContact CG1-CG1 4.23Å; I57-V166 HydrophobicContact CG2-CG1 4.14Å; I57-L170 HydrophobicContact CD1-CD1 3.92Å; I57-L170 HydrophobicContact CD1-CD2 4.24Å; I57-L170 HydrophobicContact CG1-CD1 4.48Å
58Q97Very high90.8Very high47 Ų4740 Ų4022%0.2222%0.215CC..EExtended strand (participates in β ladder)trans-98.8103.8168.3-177.8177.6-3.800109.5S6 I7 K8 I9 Y48 N60S6-Q58 PolarHBondContact OG-OE1 3.48Å; I7-Q58 PolarHBondContact O-N 3.18Å; K8-Q58 WeakPolarHBondContact CA-O 3.34Å; K8-Q58 HydrophobicContact CG-CB 4.2Å; I9-Q58 PolarHBondContact N-O 3.3Å; Y48-Q58 CarbonylContact O-C 3.53Å; Q58-N60 PolarHBondContact NE2-OD1 3.11Å; Q58-N60 PolarHBondContact O-N 2.87Å
59F97.8Very high89Confident0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-73.6120.5171.9-61.3-111.4000108.8L11 F28 P47 Y48 M50 V52 I57 I61 F162 V166L11-F59 HydrophobicContact CD1-CD1 3.96Å; F28-F59 AromaticContact CE1-CD1 3.82Å; F28-F59 HydrophobicContact CE1-CD1 3.82Å; F28-F59 AromaticContact CE1-CE1 3.99Å; F28-F59 HydrophobicContact CE1-CE1 3.99Å; F28-F59 HydrophobicContact CE1-CG 4.17Å; F28-F59 HydrophobicContact CZ-CD1 4.06Å; F28-F59 AromaticContact CZ-CE1 3.74Å; F28-F59 HydrophobicContact CZ-CE1 3.74Å; F28-F59 HydrophobicContact CZ-CE2 4.42Å; F28-F59 AromaticContact CZ-CZ 3.96Å; F28-F59 HydrophobicContact CZ-CZ 3.96Å; P47-F59 CarbonylContact C-O 3.58Å; P47-F59 WeakPolarHBondContact CA-O 3.15Å; Y48-F59 HydrophobicContact CD1-CD2 4.27Å; Y48-F59 PolarHBondContact N-O 3.33Å; Y48-F59 WeakPolarHBondContact O-CA 3.46Å; Y48-F59 WeakPolarHBondContact O-CB 3.47Å; Y48-F59 PolarHBondContact O-N 2.86Å; M50-F59 HydrophobicContact CG-CD2 4.16Å; M50-F59 HydrophobicContact CG-CE2 3.37Å; M50-F59 HydrophobicContact CG-CZ 4.01Å; M50-F59 HydrophobicContact SD-CE2 4.08Å; M50-F59 HydrophobicContact SD-CZ 4.13Å; V52-F59 HydrophobicContact CG2-CE2 4.33Å; V52-F59 HydrophobicContact CG2-CZ 4.04Å; I57-F59 HydrophobicContact CB-CD2 4.31Å; I57-F59 HydrophobicContact CB-CE2 3.8Å; I57-F59 HydrophobicContact CG2-CD2 3.88Å; I57-F59 HydrophobicContact CG2-CE2 3.63Å; I57-F59 HydrophobicContact CG2-CZ 4.15Å; F59-I61 HydrophobicContact CB-CD1 4.04Å; F59-I61 HydrophobicContact CB-CG1 3.83Å; F59-F162 HydrophobicContact CE1-CB 4.28Å; F59-V166 HydrophobicContact CD1-CG2 3.95Å; F59-V166 HydrophobicContact CE1-CB 4.23Å; F59-V166 HydrophobicContact CE1-CG2 3.31Å; F59-V166 HydrophobicContact CZ-CB 4.34Å; F59-V166 HydrophobicContact CZ-CG1 4.47Å; F59-V166 HydrophobicContact CZ-CG2 3.79Å
60N96.9Very high87.1Confident24 Ų2443.1 Ų43.113%0.12822%0.222CC..EExtended strand (participates in β ladder)trans-10886.1174-72.1-44000107.2I9 K10 L11 F45 Q58I9-N60 PolarHBondContact O-N 2.83Å; K10-N60 WeakPolarHBondContact CA-O 3.38Å; L11-N60 PolarHBondContact N-O 2.78Å; F45-N60 HydrophobicContact CE2-CB 3.73Å; F45-N60 HydrophobicContact CZ-CB 4.17Å; F45-N60 WeakPolarHBondContact CZ-OD1 3.45Å; Q58-N60 PolarHBondContact NE2-OD1 3.11Å; Q58-N60 PolarHBondContact O-N 2.87Å
61I97Very high84.9Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-95127-168.1-48.5173.6000109.6L13 I25 F28 V29 K46 F59 F162L13-I61 HydrophobicContact CD1-CG2 3.43Å; L13-I61 VanDerWaalsContact CD1-CG2 3.43Å; I25-I61 HydrophobicContact CD1-CG2 3.83Å; I25-I61 HydrophobicContact CG1-CG2 3.92Å; I25-I61 HydrophobicContact CG2-CD1 4.49Å; I25-I61 HydrophobicContact CG2-CG2 4.29Å; F28-I61 HydrophobicContact CD1-CD1 3.86Å; F28-I61 HydrophobicContact CE1-CD1 3.99Å; V29-I61 HydrophobicContact CG2-CD1 4.08Å; K46-I61 HydrophobicContact CB-CB 4.36Å; K46-I61 PolarHBondContact N-O 2.72Å; K46-I61 WeakPolarHBondContact O-CB 3.37Å; K46-I61 PolarHBondContact O-N 3.09Å; F59-I61 HydrophobicContact CB-CD1 4.04Å; F59-I61 HydrophobicContact CB-CG1 3.83Å; I61-F162 HydrophobicContact CD1-CD1 4.38Å; I61-F162 HydrophobicContact CD1-CE1 4.08Å; I61-F162 HydrophobicContact CG2-CE1 4.39Å
62W94.3Very high82.6Confident60 Ų6045.7 Ų45.723%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-103.8117.4174.3-67.878.9000110L11 I12 L13 F43 F45 L78L11-W62 PolarHBondContact O-N 3.12Å; I12-W62 HydrophobicContact CB-CB 4.46Å; I12-W62 HydrophobicContact CG1-CB 4.22Å; I12-W62 HydrophobicContact CG2-CB 4.23Å; L13-W62 PolarHBondContact N-O 3.37Å; F43-W62 AromaticContact CD2-CE3 3.94Å; F43-W62 HydrophobicContact CD2-CE3 3.94Å; F43-W62 AromaticContact CD2-CZ3 3.6Å; F43-W62 HydrophobicContact CD2-CZ3 3.6Å; F43-W62 HydrophobicContact CE2-CE3 4.49Å; F43-W62 AromaticContact CE2-CZ3 3.71Å; F43-W62 HydrophobicContact CE2-CZ3 3.71Å; F45-W62 HydrophobicContact CB-CZ3 4.49Å; F45-W62 HydrophobicContact CD2-CD2 4.28Å; F45-W62 AromaticContact CD2-CE2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 4.15Å; F45-W62 AromaticContact CD2-NE1 3.88Å; W62-L78 HydrophobicContact CB-CD1 3.7Å; W62-L78 HydrophobicContact CD2-CD1 3.61Å; W62-L78 HydrophobicContact CE3-CD1 3.33Å; W62-L78 HydrophobicContact CG-CD1 3.79Å; W62-L78 HydrophobicContact CZ3-CD1 4.16Å
63D92.8Very high80.5Confident2 Ų254 Ų541%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-90.3145.1172-165.417.3000110.5K21 T22 I25 F43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.38Å; T22-D63 WeakPolarHBondContact CA-OD2 3.19Å; T22-D63 WeakPolarHBondContact CB-OD2 3.42Å; T22-D63 VanDerWaalsContact CG2-OD2 3.28Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.36Å; T22-D63 PolarHBondContact N-OD1 2.88Å; T22-D63 PolarHBondContact OG1-OD1 3.17Å; T22-D63 PolarHBondContact OG1-OD2 3.07Å; I25-D63 HydrophobicContact CD1-CB 3.38Å; F43-D63 CarbonylContact C-O 3.57Å; F43-D63 WeakPolarHBondContact CA-O 3.2Å; F43-D63 VanDerWaalsContact CB-O 3.31Å; F43-D63 WeakPolarHBondContact CB-O 3.29Å; D44-D63 HydrophobicContact CB-CB 4.23Å; D44-D63 PolarHBondContact N-O 2.84Å; D44-D63 PolarHBondContact O-N 3.4Å
64T88.7Confident78.8Confident3 Ų350.3 Ų50.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-127.6156.7176.878.50000111I12 L13 L14 K21 G66 E68 L78I12-T64 HydrophobicContact CG2-CG2 4.36Å; L13-T64 WeakPolarHBondContact O-CG2 3.38Å; L13-T64 PolarHBondContact O-OG1 3.26Å; L14-T64 HydrophobicContact CD2-CG2 4.05Å; K21-T64 WeakPolarHBondContact CE-O 3.38Å; K21-T64 VanDerWaalsContact CE-OG1 3.29Å; K21-T64 WeakPolarHBondContact CE-OG1 3.41Å; T64-G66 VanDerWaalsContact C-N 3.33Å; T64-G66 PolarHBondContact O-N 3.33Å; T64-E68 WeakPolarHBondContact CB-OE1 3.36Å; T64-E68 PolarHBondContact OG1-OE1 3.14Å; T64-L78 HydrophobicContact CG2-CD2 3.72Å
65A81.9Confident77.4Confident6 Ų650.1 Ų50.15%0.0524%0.243CC..  trans-68.3-29.7179.400000114S17 K21 T40 G42 V67 E68S17-A65 WeakPolarHBondContact CA-O 3.17Å; S17-A65 PolarHBondContact OG-O 3.02Å; K21-A65 PolarHBondContact NZ-O 3.39Å; T40-A65 WeakPolarHBondContact O-CB 3.21Å; G42-A65 WeakPolarHBondContact O-CB 3.39Å; G42-A65 PolarHBondContact O-N 3.46Å; A65-V67 HydrophobicContact CB-CG2 3.79Å; A65-V67 PolarHBondContact O-N 3.42Å; A65-E68 PolarHBondContact N-OE2 3.31Å
66G71.2Confident76.5Confident1 Ų147.4 Ų47.41%0.0124%0.242CC..SBendtrans75.5-3.6-166.900000115.7G15 S17 K21 T64 E68G15-G66 WeakPolarHBondContact O-CA 3.45Å; S17-G66 PolarHBondContact N-O 3.03Å; K21-G66 VanDerWaalsContact NZ-CA 3.26Å; T64-G66 VanDerWaalsContact C-N 3.33Å; T64-G66 PolarHBondContact O-N 3.33Å; G66-E68 VanDerWaalsContact C-N 3.34Å; G66-E68 VanDerWaalsContact CA-OE1 3.3Å; G66-E68 WeakPolarHBondContact CA-OE1 3.36Å; G66-E68 WeakPolarHBondContact CA-OE2 3.32Å; G66-E68 VanDerWaalsContact N-CD 3.26Å; G66-E68 PolarHBondContact N-OE1 3.12Å; G66-E68 VanDerWaalsContact N-OE1 3.14Å; G66-E68 PolarHBondContact N-OE2 3.25Å
67V70.2Confident75.7Confident70 Ų7049.7 Ų49.742%0.42426%0.259SS..  trans-87.7-9.9171-620000111.9A65 R69 Y70A65-V67 HydrophobicContact CB-CG2 3.79Å; A65-V67 PolarHBondContact O-N 3.42Å; V67-R69 PolarHBondContact O-N 3.25Å; V67-Y70 WeakPolarHBondContact O-CB 3.44Å; V67-Y70 WeakPolarHBondContact O-CD2 3.43Å; V67-Y70 PolarHBondContact O-N 2.92Å
68E62.7Low75.1Confident18 Ų1850 Ų508%0.08426%0.26CS..G310 helixtrans-64.9-11.5-176.163.3-74.9172.100114.2T64 A65 G66 Y70 S71 L74 W103T64-E68 WeakPolarHBondContact CB-OE1 3.36Å; T64-E68 PolarHBondContact OG1-OE1 3.14Å; A65-E68 PolarHBondContact N-OE2 3.31Å; G66-E68 VanDerWaalsContact C-N 3.34Å; G66-E68 VanDerWaalsContact CA-OE1 3.3Å; G66-E68 WeakPolarHBondContact CA-OE1 3.36Å; G66-E68 WeakPolarHBondContact CA-OE2 3.32Å; G66-E68 VanDerWaalsContact N-CD 3.26Å; G66-E68 PolarHBondContact N-OE1 3.12Å; G66-E68 VanDerWaalsContact N-OE1 3.14Å; G66-E68 PolarHBondContact N-OE2 3.25Å; E68-Y70 PolarHBondContact O-N 3.42Å; E68-Y70 VanDerWaalsContact O-N 3.16Å; E68-S71 PolarHBondContact O-N 3.37Å; E68-L74 HydrophobicContact CB-CD1 4.07Å; E68-L74 HydrophobicContact CB-CG 3.84Å; E68-L74 HydrophobicContact CG-CD1 3.44Å; E68-L74 VanDerWaalsContact CG-CD1 3.44Å; E68-L74 HydrophobicContact CG-CD2 3.88Å; E68-L74 HydrophobicContact CG-CG 3.51Å; E68-W103 HydrophobicContact CG-CH2 3.46Å; E68-W103 VanDerWaalsContact CG-CH2 3.46Å; E68-W103 HydrophobicContact CG-CZ3 3.58Å; E68-W103 WeakPolarHBondContact OE1-CH2 3.43Å; E68-W103 WeakPolarHBondContact OE1-CZ3 3.43Å
69R59.1Low74.5Confident75 Ų7547.8 Ų47.828%0.28325%0.25SC..G310 helixtrans-59.9-20.9164.467.3-175.7-101.1-169.8-6.7113.6D16 V67 Y102 W103D16-R69 WeakPolarHBondContact OD1-CD 3.34Å; D16-R69 IonicContact OD1-CZ 3.91Å; D16-R69 IonicContact OD1-NH1 2.9Å; D16-R69 PolarHBondContact OD1-NH1 3.33Å; D16-R69 IonicContact OD2-NH1 2.85Å; D16-R69 PolarHBondContact OD2-NH1 3.32Å; V67-R69 PolarHBondContact O-N 3.25Å; R69-Y102 HydrophobicContact CB-CD1 3.78Å; R69-Y102 HydrophobicContact CB-CE1 3.45Å; R69-Y102 VanDerWaalsContact CB-CE1 3.45Å; R69-W103 HydrophobicContact CB-CH2 4.01Å; R69-W103 HydrophobicContact CB-CZ2 3.95Å; R69-W103 HydrophobicContact CG-CZ2 4.38Å
70Y57.9Low73.9Confident163 Ų16355.4 Ų55.464%0.63928%0.279SS*.G310 helixtrans-109.1-0.6-177.7-54.4-67.5000113.5V67 E68V67-Y70 WeakPolarHBondContact O-CB 3.44Å; V67-Y70 WeakPolarHBondContact O-CD2 3.43Å; V67-Y70 PolarHBondContact O-N 2.92Å; E68-Y70 PolarHBondContact O-N 3.42Å; E68-Y70 VanDerWaalsContact O-N 3.16Å
71S49.6Very low73.4Confident43 Ų4361.4 Ų61.430%0.30131%0.305SS..SBendtrans-131.1116.5-174.3-97.70000107.8E68 Y73E68-S71 PolarHBondContact O-N 3.37Å; S71-Y73 VanDerWaalsContact CB-CD2 3.45Å; S71-Y73 PolarHBondContact O-N 3.01Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.41Å
72S49.4Very low73.2Confident120 Ų12062 Ų6284%0.83931%0.311SS*.SBendtrans-60.39.8-173.1-410000115.9
73Y51.6Low73.2Confident177 Ų17761.7 Ų61.769%0.69431%0.311SS*.  trans-110.227.6-165.4-18.2-72.2000113.4S71 T75S71-Y73 VanDerWaalsContact CB-CD2 3.45Å; S71-Y73 PolarHBondContact O-N 3.01Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.41Å; Y73-T75 VanDerWaalsContact C-N 3.3Å; Y73-T75 PolarHBondContact O-N 2.95Å
74L57.1Low73.3Confident24 Ų2461.6 Ų61.613%0.12631%0.311CS..  trans-69.997.4158-96.3168.1000108.4E68 P76 L78 Y79 W103E68-L74 HydrophobicContact CB-CD1 4.07Å; E68-L74 HydrophobicContact CB-CG 3.84Å; E68-L74 HydrophobicContact CG-CD1 3.44Å; E68-L74 VanDerWaalsContact CG-CD1 3.44Å; E68-L74 HydrophobicContact CG-CD2 3.88Å; E68-L74 HydrophobicContact CG-CG 3.51Å; L74-P76 VanDerWaalsContact O-CD 3.29Å; L74-P76 WeakPolarHBondContact O-CD 3.25Å; L74-L78 HydrophobicContact CD2-CD2 3.41Å; L74-L78 VanDerWaalsContact CD2-CD2 3.41Å; L74-Y79 HydrophobicContact CB-CE2 4.12Å; L74-Y79 HydrophobicContact CD1-CE2 4.06Å; L74-Y79 WeakPolarHBondContact CD1-OH 3.33Å; L74-Y79 HydrophobicContact CD2-CE2 3.89Å; L74-Y79 HydrophobicContact CG-CE2 4.25Å; L74-W103 HydrophobicContact CD1-CZ3 3.83Å
75T65.3Low73.7Confident69 Ų6961.5 Ų61.542%0.42331%0.31SS..  trans-60.2124176.7-39.90000107.8Y73 S77 L78Y73-T75 VanDerWaalsContact C-N 3.3Å; Y73-T75 PolarHBondContact O-N 2.95Å; T75-S77 VanDerWaalsContact CB-OG 3.28Å; T75-S77 WeakPolarHBondContact CB-OG 3.44Å; T75-S77 WeakPolarHBondContact CG2-OG 3.31Å; T75-S77 PolarHBondContact O-N 2.85Å; T75-L78 WeakPolarHBondContact O-CB 3.41Å; T75-L78 PolarHBondContact O-N 2.87Å
76P73.8Confident74.5Confident69 Ų6961.3 Ų61.345%0.44831%0.309SS..Hα-helixtrans-50.9-19.6175.9-30.436.7000113.9L74 L78 Y79 R80 F110L74-P76 VanDerWaalsContact O-CD 3.29Å; L74-P76 WeakPolarHBondContact O-CD 3.25Å; P76-L78 VanDerWaalsContact C-N 3.3Å; P76-L78 PolarHBondContact O-N 3.49Å; P76-Y79 PolarHBondContact O-N 3.14Å; P76-R80 PolarHBondContact O-N 3.03Å; P76-F110 HydrophobicContact CB-CD1 3.9Å; P76-F110 HydrophobicContact CB-CE1 4.17Å; P76-F110 HydrophobicContact CG-CD1 4.18Å; P76-F110 HydrophobicContact CG-CE1 3.92Å
77S79.7Confident75.7Confident72 Ų7261.2 Ų61.250%0.50331%0.308SS..Hα-helixtrans-61-30.4172.261.90000114.5K10 T75 Y79 R80K10-S77 PolarHBondContact NZ-O 3.09Å; T75-S77 VanDerWaalsContact CB-OG 3.28Å; T75-S77 WeakPolarHBondContact CB-OG 3.44Å; T75-S77 WeakPolarHBondContact CG2-OG 3.31Å; T75-S77 PolarHBondContact O-N 2.85Å; S77-Y79 VanDerWaalsContact C-N 3.34Å; S77-Y79 PolarHBondContact O-N 2.92Å; S77-R80 PolarHBondContact O-N 2.78Å
78L83.7Confident77.1Confident7 Ų757.9 Ų57.94%0.03729%0.288CS..Hα-helixtrans-59.1-50176.8-176.669.9000109.7K10 I12 W62 T64 L74 T75 P76K10-L78 WeakPolarHBondContact CE-O 3.38Å; K10-L78 PolarHBondContact NZ-O 3.01Å; I12-L78 HydrophobicContact CD1-CG 4.29Å; I12-L78 WeakPolarHBondContact CD1-O 3.27Å; I12-L78 HydrophobicContact CG2-CD2 4.13Å; I12-L78 HydrophobicContact CG2-CG 4.26Å; W62-L78 HydrophobicContact CB-CD1 3.7Å; W62-L78 HydrophobicContact CD2-CD1 3.61Å; W62-L78 HydrophobicContact CE3-CD1 3.33Å; W62-L78 HydrophobicContact CG-CD1 3.79Å; W62-L78 HydrophobicContact CZ3-CD1 4.16Å; T64-L78 HydrophobicContact CG2-CD2 3.72Å; L74-L78 HydrophobicContact CD2-CD2 3.41Å; L74-L78 VanDerWaalsContact CD2-CD2 3.41Å; T75-L78 WeakPolarHBondContact O-CB 3.41Å; T75-L78 PolarHBondContact O-N 2.87Å; P76-L78 VanDerWaalsContact C-N 3.3Å; P76-L78 PolarHBondContact O-N 3.49Å
79Y84.2Confident78.8Confident0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-72.7-27.4-176.8-66.6-76.1000114.3I12 L14 L74 P76 S77 H81 A82 Q106 T107 F110 C111I12-Y79 HydrophobicContact CD1-CD1 4.41Å; L14-Y79 HydrophobicContact CD1-CE1 3.81Å; L14-Y79 HydrophobicContact CD2-CE1 4.25Å; L74-Y79 HydrophobicContact CB-CE2 4.12Å; L74-Y79 HydrophobicContact CD1-CE2 4.06Å; L74-Y79 WeakPolarHBondContact CD1-OH 3.33Å; L74-Y79 HydrophobicContact CD2-CE2 3.89Å; L74-Y79 HydrophobicContact CG-CE2 4.25Å; P76-Y79 PolarHBondContact O-N 3.14Å; S77-Y79 VanDerWaalsContact C-N 3.34Å; S77-Y79 PolarHBondContact O-N 2.92Å; Y79-H81 PolarHBondContact O-N 2.85Å; Y79-A82 WeakPolarHBondContact O-CB 3.4Å; Y79-A82 PolarHBondContact O-N 3.09Å; Y79-Q106 HydrophobicContact CE1-CB 4.15Å; Y79-Q106 WeakPolarHBondContact OH-CB 3.42Å; Y79-T107 HydrophobicContact CD1-CG2 3.99Å; Y79-T107 HydrophobicContact CE1-CG2 3.8Å; Y79-F110 HydrophobicContact CD1-CB 4.46Å; Y79-F110 HydrophobicContact CD2-CB 3.78Å; Y79-F110 AromaticContact CD2-CD2 3.72Å; Y79-F110 HydrophobicContact CD2-CD2 3.72Å; Y79-F110 HydrophobicContact CD2-CG 4.02Å; Y79-F110 AromaticContact CE2-CD2 3.91Å; Y79-F110 HydrophobicContact CE2-CD2 3.91Å; Y79-F110 HydrophobicContact CG-CB 3.63Å; Y79-F110 HydrophobicContact CG-CD2 4.27Å; Y79-F110 HydrophobicContact CG-CG 4.35Å; Y79-C111 PolarHBondContact O-SG 3.17Å
80R83.9Confident80.7Confident161 Ų16154.1 Ų54.161%0.60827%0.274SS*.THydrogen-bonded Turntrans-61.4132.7-174.4-165.6-175.2-89.4177.5-7.2111.4K10 P76 S77 A82K10-R80 PolarHBondContact NZ-O 2.92Å; P76-R80 PolarHBondContact O-N 3.03Å; S77-R80 PolarHBondContact O-N 2.78Å; R80-A82 PolarHBondContact O-N 3.39Å
81H86.7Confident82.6Confident149 Ų14946.4 Ų46.469%0.6924%0.244SC*.THydrogen-bonded Turntrans5724179.6-47.7-60.1000114.8Y79Y79-H81 PolarHBondContact O-N 2.85Å
82A92.9Very high84.9Confident13 Ų1345.4 Ų45.411%0.10724%0.236CC..  trans-67.3132.516800000109.7I12 Y79 R80 L115I12-A82 HydrophobicContact CD1-CB 3.51Å; I12-A82 HydrophobicContact CG1-CB 4.02Å; Y79-A82 WeakPolarHBondContact O-CB 3.4Å; Y79-A82 PolarHBondContact O-N 3.09Å; R80-A82 PolarHBondContact O-N 3.39Å; A82-L115 HydrophobicContact CB-CD1 3.61Å; A82-L115 WeakPolarHBondContact O-CD1 3.13Å
83H94.7Very high87.2Confident53 Ų5341.3 Ų41.325%0.24521%0.207CC..SBendtrans-91.3-31.3176.3-51.698000110.9I9 K10 L116 I169 F175I9-H83 HydrophobicContact CG2-CB 4.09Å; K10-H83 PolarHBondContact N-ND1 3.1Å; K10-H83 PolarHBondContact O-N 2.83Å; H83-L116 PolarHBondContact O-N 2.98Å; H83-L116 VanDerWaalsContact O-N 3.09Å; H83-I169 HydrophobicContact CB-CD1 3.98Å; H83-I169 HydrophobicContact CB-CG1 4.43Å; H83-I169 HydrophobicContact CB-CG2 3.99Å; H83-F175 AromaticContact CD2-CD2 3.52Å; H83-F175 AromaticContact CD2-CE2 3.45Å; H83-F175 VanDerWaalsContact CD2-CE2 3.45Å; H83-F175 WeakPolarHBondContact CD2-CE2 3.43Å; H83-F175 AromaticContact CG-CE2 3.93Å; H83-F175 AromaticContact NE2-CE2 3.64Å
84G96Very high89.4Confident0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-144.8154175.500000113.7K10 L11 I12 L116K10-G84 PolarHBondContact O-N 2.82Å; L11-G84 WeakPolarHBondContact CA-O 3.46Å; I12-G84 PolarHBondContact N-O 3.11Å; I12-G84 VanDerWaalsContact N-O 3.11Å; G84-L116 CarbonylContact C-O 3.57Å; G84-L116 WeakPolarHBondContact CA-O 3.49Å
85A96.2Very high91.3Very high1 Ų141.5 Ų41.51%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-127.6136171.600000111.1I12 F87 L115 L116 M118I12-A85 VanDerWaalsContact O-CA 3.31Å; I12-A85 WeakPolarHBondContact O-CA 3.46Å; A85-F87 HydrophobicContact CB-CE2 4.4Å; A85-F87 HydrophobicContact CB-CZ 4.2Å; A85-L115 HydrophobicContact CB-CD1 4.24Å; A85-L115 HydrophobicContact CB-CD2 3.67Å; A85-L115 HydrophobicContact CB-CG 4.07Å; A85-L116 PolarHBondContact N-O 3.34Å; A85-M118 PolarHBondContact O-N 2.82Å
86L98.2Very high92.9Very high2 Ų238.4 Ų38.41%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-104.1112.9168.2-58.890.5000108.2L11 I12 L13 L14 M118 V120 F162 L165L11-L86 HydrophobicContact CB-CD1 4.38Å; L11-L86 HydrophobicContact CD1-CD1 4.38Å; I12-L86 PolarHBondContact O-N 2.96Å; L13-L86 WeakPolarHBondContact CA-O 3.45Å; L13-L86 HydrophobicContact CD1-CD1 4.01Å; L13-L86 HydrophobicContact CG-CB 4.17Å; L13-L86 HydrophobicContact CG-CD1 4.32Å; L14-L86 PolarHBondContact N-O 2.94Å; L86-M118 CarbonylContact C-O 3.48Å; L86-M118 WeakPolarHBondContact CA-O 3.33Å; L86-M118 HydrophobicContact CD2-SD 4.48Å; L86-V120 HydrophobicContact CB-CG2 4.18Å; L86-V120 HydrophobicContact CD2-CG2 4.04Å; L86-F162 HydrophobicContact CD1-CE1 4.24Å; L86-F162 HydrophobicContact CD2-CD1 4.4Å; L86-F162 HydrophobicContact CD2-CE1 4.22Å; L86-F162 HydrophobicContact CD2-CZ 4.32Å; L86-L165 HydrophobicContact CD1-CD2 3.6Å; L86-L165 HydrophobicContact CG-CD2 3.79Å
87F97.7Very high94Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-88110.3170.7-60.3-67.7000109.1L14 A85 V100 W103 V104 T107 K117 M118 L119 V120 I143L14-F87 HydrophobicContact CB-CD1 3.96Å; L14-F87 HydrophobicContact CB-CE1 4.2Å; L14-F87 HydrophobicContact CD1-CD1 4.35Å; L14-F87 HydrophobicContact CD1-CE1 3.76Å; L14-F87 CarbonylContact O-C 3.6Å; L14-F87 WeakPolarHBondContact O-CA 3.25Å; A85-F87 HydrophobicContact CB-CE2 4.4Å; A85-F87 HydrophobicContact CB-CZ 4.2Å; F87-V100 HydrophobicContact CB-CG1 3.63Å; F87-V100 HydrophobicContact CB-CG2 4.45Å; F87-V100 HydrophobicContact CD1-CG1 4.26Å; F87-V100 HydrophobicContact CG-CG1 3.91Å; F87-W103 HydrophobicContact CD1-CB 3.71Å; F87-W103 HydrophobicContact CE1-CB 3.76Å; F87-V104 HydrophobicContact CD1-CG2 4.32Å; F87-V104 HydrophobicContact CD2-CG2 4.06Å; F87-V104 HydrophobicContact CE1-CG2 4.05Å; F87-V104 HydrophobicContact CE2-CG2 3.75Å; F87-V104 HydrophobicContact CG-CG2 4.33Å; F87-V104 HydrophobicContact CZ-CB 4.34Å; F87-V104 HydrophobicContact CZ-CG2 3.75Å; F87-T107 HydrophobicContact CE1-CG2 3.93Å; F87-T107 HydrophobicContact CZ-CG2 3.79Å; F87-K117 HydrophobicContact CD2-CB 4.45Å; F87-K117 HydrophobicContact CE2-CB 3.95Å; F87-K117 HydrophobicContact CE2-CD 3.98Å; F87-K117 HydrophobicContact CE2-CG 3.75Å; F87-K117 HydrophobicContact CZ-CG 4.48Å; F87-M118 PolarHBondContact N-O 3.39Å; F87-L119 HydrophobicContact CB-CD1 4.1Å; F87-L119 CarbonylContact O-C 3.5Å; F87-L119 WeakPolarHBondContact O-CA 3.37Å; F87-V120 PolarHBondContact O-N 2.91Å; F87-I143 HydrophobicContact CD2-CD1 4.36Å
88V98.5Very high94.8Very high0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-100.5132.4-175.6-169.60000109.8L13 L14 G15 V19 K21 L24 V120 N122L13-V88 HydrophobicContact CD2-CG2 4.32Å; L14-V88 PolarHBondContact O-N 2.97Å; G15-V88 WeakPolarHBondContact CA-O 3.43Å; V19-V88 HydrophobicContact CB-CG1 4.23Å; V19-V88 HydrophobicContact CG2-CB 3.85Å; V19-V88 HydrophobicContact CG2-CG1 3.78Å; K21-V88 HydrophobicContact CG-CB 4.03Å; K21-V88 HydrophobicContact CG-CG2 4.03Å; L24-V88 HydrophobicContact CD1-CG1 3.74Å; L24-V88 HydrophobicContact CD1-CG2 4.01Å; V88-V120 WeakPolarHBondContact CA-O 3.49Å; V88-V120 HydrophobicContact CG2-CB 4.27Å; V88-N122 HydrophobicContact CG1-CB 3.91Å
89Y98.6Very high95.3Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-129.9165167.780.4-82.8000110.1V91 L97 L119 V120 N122 V131 F147Y89-V91 HydrophobicContact CE2-CG1 4.12Å; Y89-L97 HydrophobicContact CD1-CD1 3.69Å; Y89-L97 HydrophobicContact CD2-CB 3.8Å; Y89-L97 HydrophobicContact CD2-CD1 4.01Å; Y89-L97 HydrophobicContact CD2-CG 4.46Å; Y89-L97 HydrophobicContact CE1-CD1 3.77Å; Y89-L97 HydrophobicContact CE2-CB 4.26Å; Y89-L97 HydrophobicContact CE2-CD1 4.09Å; Y89-L97 HydrophobicContact CG-CB 4.12Å; Y89-L97 HydrophobicContact CG-CD1 3.82Å; Y89-L119 HydrophobicContact CD1-CD1 3.89Å; Y89-L119 HydrophobicContact CD1-CD2 4.38Å; Y89-L119 HydrophobicContact CD1-CG 4.04Å; Y89-L119 HydrophobicContact CE1-CD1 4.28Å; Y89-L119 HydrophobicContact CE1-CD2 3.95Å; Y89-L119 HydrophobicContact CE1-CG 3.95Å; Y89-V120 VanDerWaalsContact CD1-O 3.29Å; Y89-V120 WeakPolarHBondContact CD1-O 3.45Å; Y89-V120 PolarHBondContact N-O 2.92Å; Y89-N122 PolarHBondContact O-N 2.86Å; Y89-V131 HydrophobicContact CE2-CB 3.96Å; Y89-V131 HydrophobicContact CE2-CG1 3.77Å; Y89-V131 HydrophobicContact CE2-CG2 4.16Å; Y89-F147 HydrophobicContact CE1-CE2 4.22Å
90D98.4Very high95.9Very high14 Ų1436 Ų368%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-98.6123.3176.9-178.2-12.7000109.3V19 T92 S93 S96 K123V19-D90 HydrophobicContact CB-CB 4.48Å; V19-D90 HydrophobicContact CG1-CB 4.36Å; D90-T92 PolarHBondContact O-N 2.97Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 PolarHBondContact OD1-N 3.33Å; D90-T92 PolarHBondContact OD1-OG1 3.21Å; D90-T92 VanDerWaalsContact OD1-OG1 3.1Å; D90-T92 PolarHBondContact OD2-OG1 3.36Å; D90-S93 PolarHBondContact O-N 3.29Å; D90-S96 PolarHBondContact N-OG 3.38Å; D90-S96 PolarHBondContact O-OG 3.43Å; D90-K123 WeakPolarHBondContact OD2-CD 3.42Å; D90-K123 VanDerWaalsContact OD2-CE 3.24Å; D90-K123 WeakPolarHBondContact OD2-CE 3.45Å; D90-K123 IonicContact OD2-NZ 2.7Å; D90-K123 PolarHBondContact OD2-NZ 3.04Å
91V98.8Very high96.4Very high0 Ų034.9 Ų34.90%019%0.185CC..THydrogen-bonded Turntrans-62.8-16.4-179.7-59.80000113.3Y89 S93 N122 K123 I124 R129 M130 V131Y89-V91 HydrophobicContact CE2-CG1 4.12Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-N122 WeakPolarHBondContact CG2-O 3.3Å; V91-N122 PolarHBondContact N-O 2.75Å; V91-K123 WeakPolarHBondContact CG2-O 3.41Å; V91-I124 HydrophobicContact CG1-CG2 4.08Å; V91-I124 HydrophobicContact CG2-CG2 4.34Å; V91-R129 HydrophobicContact CB-CG 4.49Å; V91-M130 PolarHBondContact O-N 3.16Å; V91-V131 PolarHBondContact O-N 3.01Å
92T98.5Very high96.6Very high22 Ų2231.7 Ų31.714%0.13517%0.167CC..THydrogen-bonded Turntrans-91.88.9174.184.20000112.9D90 L126 N128D90-T92 PolarHBondContact O-N 2.97Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 PolarHBondContact OD1-N 3.33Å; D90-T92 PolarHBondContact OD1-OG1 3.21Å; D90-T92 VanDerWaalsContact OD1-OG1 3.1Å; D90-T92 PolarHBondContact OD2-OG1 3.36Å; T92-L126 HydrophobicContact CG2-CB 3.76Å; T92-L126 HydrophobicContact CG2-CD1 3.83Å; T92-L126 HydrophobicContact CG2-CG 4.42Å; T92-N128 WeakPolarHBondContact CB-O 3.44Å; T92-N128 WeakPolarHBondContact CG2-OD1 3.32Å
93S97.9Very high96.6Very high35 Ų3531 Ų3125%0.24516%0.162CC..  trans-140.8102.9-179176.70000112.3D90 V91 Q95 S96 L97D90-S93 PolarHBondContact O-N 3.29Å; V91-S93 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.16Å; S93-S96 PolarHBondContact O-N 3.24Å; S93-S96 VanDerWaalsContact O-N 3.1Å; S93-S96 PolarHBondContact O-OG 2.8Å; S93-S96 PolarHBondContact OG-N 2.95Å; S93-L97 PolarHBondContact O-N 3.15Å
94V97.9Very high96.5Very high78 Ų7828.6 Ų28.647%0.47315%0.151SC..Hα-helixtrans-57.2-37.3173.1-1790000111.4S96 L97 S98 M130 V131V94-S96 VanDerWaalsContact C-N 3.3Å; V94-S96 PolarHBondContact O-N 3.27Å; V94-L97 PolarHBondContact O-N 2.86Å; V94-S98 PolarHBondContact O-N 3.42Å; V94-M130 HydrophobicContact CG2-CB 3.87Å; V94-M130 HydrophobicContact CG2-CE 4.28Å; V94-V131 HydrophobicContact CB-CG2 4.44Å; V94-V131 HydrophobicContact CG2-CG2 4.05Å
95Q96.8Very high96.2Very high127 Ų12733.1 Ų33.159%0.59317%0.172SC*.Hα-helixtrans-61-41.2178.2-171.9177.614.600111.3S93 L97 S98 G99S93-Q95 PolarHBondContact O-N 3.16Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.92Å; Q95-S98 WeakPolarHBondContact CA-OG 3.28Å; Q95-S98 PolarHBondContact O-N 2.77Å; Q95-S98 VanDerWaalsContact O-N 3.16Å; Q95-S98 PolarHBondContact O-OG 3.38Å; Q95-G99 PolarHBondContact O-N 3.28Å
96S97.1Very high95.8Very high4 Ų434.5 Ų34.53%0.02818%0.178CC..Hα-helixtrans-64.2-36.9179.675.90000112.6D90 S93 V94 G99 V100D90-S96 PolarHBondContact N-OG 3.38Å; D90-S96 PolarHBondContact O-OG 3.43Å; S93-S96 PolarHBondContact O-N 3.24Å; S93-S96 VanDerWaalsContact O-N 3.1Å; S93-S96 PolarHBondContact O-OG 2.8Å; S93-S96 PolarHBondContact OG-N 2.95Å; V94-S96 VanDerWaalsContact C-N 3.3Å; V94-S96 PolarHBondContact O-N 3.27Å; S96-G99 PolarHBondContact O-N 2.82Å; S96-V100 PolarHBondContact O-N 3.19Å
97L98.3Very high95.4Very high20 Ų2034.6 Ų34.611%0.10518%0.179CC..Hα-helixtrans-65.1-45173-178.168.9000110.7Y89 S93 V94 Q95 G99 V100 L119 V131 F139Y89-L97 HydrophobicContact CD1-CD1 3.69Å; Y89-L97 HydrophobicContact CD2-CB 3.8Å; Y89-L97 HydrophobicContact CD2-CD1 4.01Å; Y89-L97 HydrophobicContact CD2-CG 4.46Å; Y89-L97 HydrophobicContact CE1-CD1 3.77Å; Y89-L97 HydrophobicContact CE2-CB 4.26Å; Y89-L97 HydrophobicContact CE2-CD1 4.09Å; Y89-L97 HydrophobicContact CG-CB 4.12Å; Y89-L97 HydrophobicContact CG-CD1 3.82Å; S93-L97 PolarHBondContact O-N 3.15Å; V94-L97 PolarHBondContact O-N 2.86Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.92Å; L97-G99 PolarHBondContact O-N 2.9Å; L97-V100 VanDerWaalsContact O-CB 3.31Å; L97-V100 WeakPolarHBondContact O-CB 3.05Å; L97-V100 PolarHBondContact O-N 3.48Å; L97-V100 VanDerWaalsContact O-N 3.12Å; L97-L119 HydrophobicContact CD1-CD1 4.35Å; L97-L119 HydrophobicContact CD1-CD2 4.1Å; L97-V131 HydrophobicContact CB-CG2 4.41Å; L97-V131 HydrophobicContact CD2-CG1 3.8Å; L97-V131 HydrophobicContact CD2-CG2 4.41Å; L97-F139 HydrophobicContact CD1-CB 4.36Å; L97-F139 HydrophobicContact CD1-CD1 3.61Å; L97-F139 HydrophobicContact CD1-CE1 4.12Å; L97-F139 HydrophobicContact CD1-CG 4.04Å; L97-F139 HydrophobicContact CD2-CB 4.41Å; L97-F139 HydrophobicContact CD2-CG 4.5Å; L97-F139 HydrophobicContact CG-CD1 4.28Å; L97-F139 HydrophobicContact CG-CG 4.32Å
98S96.4Very high95Very high65 Ų6541.4 Ų41.446%0.45521%0.205SC..Hα-helixtrans-61.2-34.717876.30000112.4V94 Q95 V100 K101V94-S98 PolarHBondContact O-N 3.42Å; Q95-S98 WeakPolarHBondContact CA-OG 3.28Å; Q95-S98 PolarHBondContact O-N 2.77Å; Q95-S98 VanDerWaalsContact O-N 3.16Å; Q95-S98 PolarHBondContact O-OG 3.38Å; S98-V100 PolarHBondContact O-N 2.94Å; S98-K101 PolarHBondContact O-N 3.1Å
99G94.3Very high94.4Very high11 Ų1147.3 Ų47.311%0.11323%0.233CC..Hα-helixtrans-63.5-25.2176.600000113.8Q95 S96 L97 K101 Y102Q95-G99 PolarHBondContact O-N 3.28Å; S96-G99 PolarHBondContact O-N 2.82Å; L97-G99 PolarHBondContact O-N 2.9Å; G99-K101 PolarHBondContact O-N 3.21Å; G99-K101 VanDerWaalsContact O-N 3.13Å; G99-Y102 WeakPolarHBondContact O-CB 3.3Å; G99-Y102 PolarHBondContact O-N 3.45Å; G99-Y102 VanDerWaalsContact O-N 3.1Å
100V96Very high93.8Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-55.2-32.6176.2176.70000112.7F87 S96 L97 S98 Y102 W103 V104 L119 F139 I143F87-V100 HydrophobicContact CB-CG1 3.63Å; F87-V100 HydrophobicContact CB-CG2 4.45Å; F87-V100 HydrophobicContact CD1-CG1 4.26Å; F87-V100 HydrophobicContact CG-CG1 3.91Å; S96-V100 PolarHBondContact O-N 3.19Å; L97-V100 VanDerWaalsContact O-CB 3.31Å; L97-V100 WeakPolarHBondContact O-CB 3.05Å; L97-V100 PolarHBondContact O-N 3.48Å; L97-V100 VanDerWaalsContact O-N 3.12Å; S98-V100 PolarHBondContact O-N 2.94Å; V100-Y102 PolarHBondContact O-N 3.43Å; V100-W103 PolarHBondContact O-N 2.64Å; V100-W103 VanDerWaalsContact O-N 3.09Å; V100-V104 HydrophobicContact CG1-CG2 3.89Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.04Å; V100-L119 HydrophobicContact CB-CD1 4.43Å; V100-L119 HydrophobicContact CG1-CD1 3.92Å; V100-L119 HydrophobicContact CG2-CD1 3.99Å; V100-F139 HydrophobicContact CB-CE1 3.76Å; V100-F139 HydrophobicContact CB-CZ 4.07Å; V100-F139 HydrophobicContact CG1-CE1 3.67Å; V100-F139 HydrophobicContact CG1-CZ 4.19Å; V100-I143 HydrophobicContact CG1-CD1 4.23Å
101K94.7Very high93.1Very high138 Ų13850.2 Ų50.260%0.625%0.246SC*.Hα-helixtrans-56.5-39.6178.9-65.6-178-178.8178.50112.6S98 G99 E105 F139S98-K101 PolarHBondContact O-N 3.1Å; G99-K101 PolarHBondContact O-N 3.21Å; G99-K101 VanDerWaalsContact O-N 3.13Å; K101-E105 PolarHBondContact O-N 3.06Å; K101-E105 VanDerWaalsContact O-N 3.13Å; K101-F139 HydrophobicContact CD-CE2 4.4Å; K101-F139 HydrophobicContact CG-CE2 3.81Å; K101-F139 HydrophobicContact CG-CZ 3.75Å
102Y91.7Very high91.8Very high82 Ų8253.3 Ų53.332%0.32228%0.278SS..Hα-helixtrans-62.6-48.7176.6169.8-97.4000111R69 G99 V100 V104 E105 Q106R69-Y102 HydrophobicContact CB-CD1 3.78Å; R69-Y102 HydrophobicContact CB-CE1 3.45Å; R69-Y102 VanDerWaalsContact CB-CE1 3.45Å; G99-Y102 WeakPolarHBondContact O-CB 3.3Å; G99-Y102 PolarHBondContact O-N 3.45Å; G99-Y102 VanDerWaalsContact O-N 3.1Å; V100-Y102 PolarHBondContact O-N 3.43Å; Y102-V104 VanDerWaalsContact C-N 3.34Å; Y102-V104 PolarHBondContact O-N 3.11Å; Y102-E105 WeakPolarHBondContact O-CB 3.35Å; Y102-E105 PolarHBondContact O-N 2.91Å; Y102-E105 VanDerWaalsContact O-N 3.1Å; Y102-Q106 HydrophobicContact CD1-CG 4.24Å; Y102-Q106 HydrophobicContact CE1-CG 3.74Å; Y102-Q106 HydrophobicContact CE2-CG 4.14Å; Y102-Q106 WeakPolarHBondContact O-CG 3.28Å; Y102-Q106 PolarHBondContact O-N 3.43Å
103W91.4Very high90.4Very high0 Ų058.3 Ų58.30%031%0.314CS..Hα-helixtrans-62.7-39.8-179.4-58.3112000112.6L14 G15 D16 E68 R69 L74 F87 V100 E105 Q106 T107L14-W103 HydrophobicContact CB-CB 4.01Å; L14-W103 HydrophobicContact CB-CD2 4.24Å; L14-W103 HydrophobicContact CB-CE3 4.22Å; L14-W103 HydrophobicContact CB-CG 4.17Å; L14-W103 HydrophobicContact CD2-CE3 4.03Å; L14-W103 HydrophobicContact CD2-CZ3 4.4Å; G15-W103 VanDerWaalsContact C-NE1 3.29Å; D16-W103 PolarHBondContact OD1-NE1 3.15Å; E68-W103 HydrophobicContact CG-CH2 3.46Å; E68-W103 VanDerWaalsContact CG-CH2 3.46Å; E68-W103 HydrophobicContact CG-CZ3 3.58Å; E68-W103 WeakPolarHBondContact OE1-CH2 3.43Å; E68-W103 WeakPolarHBondContact OE1-CZ3 3.43Å; R69-W103 HydrophobicContact CB-CH2 4.01Å; R69-W103 HydrophobicContact CB-CZ2 3.95Å; R69-W103 HydrophobicContact CG-CZ2 4.38Å; L74-W103 HydrophobicContact CD1-CZ3 3.83Å; F87-W103 HydrophobicContact CD1-CB 3.71Å; F87-W103 HydrophobicContact CE1-CB 3.76Å; V100-W103 PolarHBondContact O-N 2.64Å; V100-W103 VanDerWaalsContact O-N 3.09Å; W103-E105 VanDerWaalsContact C-N 3.3Å; W103-E105 PolarHBondContact O-N 2.72Å; W103-Q106 PolarHBondContact O-N 2.92Å; W103-T107 WeakPolarHBondContact O-CG2 3.29Å; W103-T107 PolarHBondContact O-N 2.75Å
104V92.7Very high89.7Confident2 Ų262.4 Ų62.41%0.01232%0.324CS..Hα-helixtrans-59.7-43.7173.6172.10000110.5F87 V100 Y102 T107 R108 I143F87-V104 HydrophobicContact CD1-CG2 4.32Å; F87-V104 HydrophobicContact CD2-CG2 4.06Å; F87-V104 HydrophobicContact CE1-CG2 4.05Å; F87-V104 HydrophobicContact CE2-CG2 3.75Å; F87-V104 HydrophobicContact CG-CG2 4.33Å; F87-V104 HydrophobicContact CZ-CB 4.34Å; F87-V104 HydrophobicContact CZ-CG2 3.75Å; V100-V104 HydrophobicContact CG1-CG2 3.89Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.04Å; Y102-V104 VanDerWaalsContact C-N 3.34Å; Y102-V104 PolarHBondContact O-N 3.11Å; V104-T107 PolarHBondContact O-N 3.16Å; V104-T107 PolarHBondContact O-OG1 2.93Å; V104-R108 WeakPolarHBondContact O-CG 3.5Å; V104-R108 PolarHBondContact O-N 2.7Å; V104-I143 HydrophobicContact CG2-CB 4.35Å; V104-I143 HydrophobicContact CG2-CD1 3.73Å; V104-I143 HydrophobicContact CG2-CG2 4.35Å
105E90.5Very high89.5Confident95 Ų9559.5 Ų59.544%0.44431%0.306SS..Hα-helixtrans-66.5-39.9179.2-164.755.7-147.400112.5K101 Y102 W103 T107 R108 Q109K101-E105 PolarHBondContact O-N 3.06Å; K101-E105 VanDerWaalsContact O-N 3.13Å; Y102-E105 WeakPolarHBondContact O-CB 3.35Å; Y102-E105 PolarHBondContact O-N 2.91Å; Y102-E105 VanDerWaalsContact O-N 3.1Å; W103-E105 VanDerWaalsContact C-N 3.3Å; W103-E105 PolarHBondContact O-N 2.72Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 3.16Å; E105-R108 WeakPolarHBondContact O-CB 3.17Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.12Å; E105-R108 WeakPolarHBondContact OE2-CD 3.31Å; E105-R108 IonicContact OE2-CZ 3.86Å; E105-R108 IonicContact OE2-NH1 3.21Å; E105-R108 PolarHBondContact OE2-NH1 2.78Å; E105-Q109 PolarHBondContact O-N 3.28Å
106Q87.2Confident89.4Confident29 Ų2955.7 Ų55.714%0.13629%0.289CS..Hα-helixtrans-58.1-44.3173-64.9-59.1-74.100111.6Y79 Y102 W103 R108 Q109 F110Y79-Q106 HydrophobicContact CE1-CB 4.15Å; Y79-Q106 WeakPolarHBondContact OH-CB 3.42Å; Y102-Q106 HydrophobicContact CD1-CG 4.24Å; Y102-Q106 HydrophobicContact CE1-CG 3.74Å; Y102-Q106 HydrophobicContact CE2-CG 4.14Å; Y102-Q106 WeakPolarHBondContact O-CG 3.28Å; Y102-Q106 PolarHBondContact O-N 3.43Å; W103-Q106 PolarHBondContact O-N 2.92Å; Q106-R108 VanDerWaalsContact C-N 3.34Å; Q106-R108 PolarHBondContact O-N 2.79Å; Q106-Q109 PolarHBondContact O-N 3.27Å; Q106-F110 WeakPolarHBondContact O-CD2 3.45Å; Q106-F110 PolarHBondContact O-N 2.79Å; Q106-F110 VanDerWaalsContact O-N 3.09Å
107T90.2Very high89.4Confident5 Ų557.8 Ų57.83%0.03130%0.298CS..Hα-helixtrans-65.9-34.8176.4620000112.8L14 Y79 F87 W103 V104 E105 Q109 C111 L115L14-T107 HydrophobicContact CD1-CG2 3.4Å; Y79-T107 HydrophobicContact CD1-CG2 3.99Å; Y79-T107 HydrophobicContact CE1-CG2 3.8Å; F87-T107 HydrophobicContact CE1-CG2 3.93Å; F87-T107 HydrophobicContact CZ-CG2 3.79Å; W103-T107 WeakPolarHBondContact O-CG2 3.29Å; W103-T107 PolarHBondContact O-N 2.75Å; V104-T107 PolarHBondContact O-N 3.16Å; V104-T107 PolarHBondContact O-OG1 2.93Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 3.16Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-N 2.71Å; T107-C111 VanDerWaalsContact O-CA 3.3Å; T107-C111 WeakPolarHBondContact O-CA 3.27Å; T107-C111 WeakPolarHBondContact O-CB 3.43Å; T107-C111 PolarHBondContact O-N 2.82Å; T107-L115 VanDerWaalsContact CB-CD2 3.49Å; T107-L115 HydrophobicContact CG2-CD2 3.68Å
108R89.1Confident89.4Confident142 Ų14256.9 Ų56.954%0.53629%0.293SS..Hα-helixtrans-65-34.8175.1-72.8171.7-179.7162.3-2.9112.4V104 E105 Q106V104-R108 WeakPolarHBondContact O-CG 3.5Å; V104-R108 PolarHBondContact O-N 2.7Å; E105-R108 WeakPolarHBondContact O-CB 3.17Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.12Å; E105-R108 WeakPolarHBondContact OE2-CD 3.31Å; E105-R108 IonicContact OE2-CZ 3.86Å; E105-R108 IonicContact OE2-NH1 3.21Å; E105-R108 PolarHBondContact OE2-NH1 2.78Å; Q106-R108 VanDerWaalsContact C-N 3.34Å; Q106-R108 PolarHBondContact O-N 2.79Å
109Q86.6Confident89.5Confident125 Ų12553.8 Ų53.858%0.58427%0.271SS*.Hα-helixtrans-73.1-40.6-179.7-174.3177.211.900112.5E105 Q106 T107E105-Q109 PolarHBondContact O-N 3.28Å; Q106-Q109 PolarHBondContact O-N 3.27Å; T107-Q109 VanDerWaalsContact C-N 3.28Å; T107-Q109 PolarHBondContact O-N 2.71Å
110F85.3Confident89.7Confident63 Ų6353.3 Ų53.328%0.27627%0.266SS..Hα-helixtrans-113.2-20.4-168.3-58.4-63000114.8P76 Y79 Q106P76-F110 HydrophobicContact CB-CD1 3.9Å; P76-F110 HydrophobicContact CB-CE1 4.17Å; P76-F110 HydrophobicContact CG-CD1 4.18Å; P76-F110 HydrophobicContact CG-CE1 3.92Å; Y79-F110 HydrophobicContact CD1-CB 4.46Å; Y79-F110 HydrophobicContact CD2-CB 3.78Å; Y79-F110 AromaticContact CD2-CD2 3.72Å; Y79-F110 HydrophobicContact CD2-CD2 3.72Å; Y79-F110 HydrophobicContact CD2-CG 4.02Å; Y79-F110 AromaticContact CE2-CD2 3.91Å; Y79-F110 HydrophobicContact CE2-CD2 3.91Å; Y79-F110 HydrophobicContact CG-CB 3.63Å; Y79-F110 HydrophobicContact CG-CD2 4.27Å; Y79-F110 HydrophobicContact CG-CG 4.35Å; Q106-F110 WeakPolarHBondContact O-CD2 3.45Å; Q106-F110 PolarHBondContact O-N 2.79Å; Q106-F110 VanDerWaalsContact O-N 3.09Å
111C82.9Confident89.8Confident12 Ų1253.3 Ų53.38%0.08127%0.266CS..SBendtrans-91.5145.8170.2-54.60000109.4Y79 T107 L115Y79-C111 PolarHBondContact O-SG 3.17Å; T107-C111 VanDerWaalsContact O-CA 3.3Å; T107-C111 WeakPolarHBondContact O-CA 3.27Å; T107-C111 WeakPolarHBondContact O-CB 3.43Å; T107-C111 PolarHBondContact O-N 2.82Å; C111-L115 HydrophobicContact CB-CB 4.16Å; C111-L115 HydrophobicContact CB-CD2 4.01Å; C111-L115 HydrophobicContact CB-CG 4.5Å
112G72.6Confident90Very high65 Ų6546.9 Ų46.967%0.6724%0.239SC*.  trans-62.5173.2169.100000111.5R114G112-R114 PolarHBondContact O-N 3.39Å
113S69.8Low90.4Very high127 Ų12745.5 Ų45.589%0.88823%0.234SC*.THydrogen-bonded Turntrans-60.8-3.4-175.151.70000116.2
114R82.9Confident90.7Very high120 Ų12047 Ų4745%0.45324%0.242SC..THydrogen-bonded Turntrans-113.814.4-166.5-64.4178.8-177-88.8-10.6115.4G112 L116 E174G112-R114 PolarHBondContact O-N 3.39Å; R114-L116 WeakPolarHBondContact O-CD2 3.16Å; R114-L116 PolarHBondContact O-N 3.26Å; R114-L116 VanDerWaalsContact O-N 3.14Å; R114-E174 IonicContact CZ-OE1 3.15Å; R114-E174 IonicContact CZ-OE2 3.77Å; R114-E174 IonicContact NE-OE2 3.8Å; R114-E174 PolarHBondContact NE-OE2 2.7Å; R114-E174 VanDerWaalsContact NE-OE2 3.15Å; R114-E174 IonicContact NH1-OE1 3.63Å; R114-E174 PolarHBondContact NH1-OE1 3.47Å; R114-E174 IonicContact NH1-OE2 2.87Å; R114-E174 PolarHBondContact NH1-OE2 3.31Å; R114-E174 IonicContact NH2-OE1 2.82Å; R114-E174 PolarHBondContact NH2-OE1 3.46Å; R114-E174 IonicContact NH2-OE2 3.46Å; R114-E174 PolarHBondContact NH2-OE2 3.39Å
115L92.7Very high91Very high18 Ų1849.1 Ų49.19%0.09425%0.253CS..  trans-66.3116.6177.7-171.870.8000110.2A82 A85 T107 C111 K117A82-L115 HydrophobicContact CB-CD1 3.61Å; A82-L115 WeakPolarHBondContact O-CD1 3.13Å; A85-L115 HydrophobicContact CB-CD1 4.24Å; A85-L115 HydrophobicContact CB-CD2 3.67Å; A85-L115 HydrophobicContact CB-CG 4.07Å; T107-L115 VanDerWaalsContact CB-CD2 3.49Å; T107-L115 HydrophobicContact CG2-CD2 3.68Å; C111-L115 HydrophobicContact CB-CB 4.16Å; C111-L115 HydrophobicContact CB-CD2 4.01Å; C111-L115 HydrophobicContact CB-CG 4.5Å; L115-K117 HydrophobicContact CD2-CG 4.45Å; L115-K117 HydrophobicContact CG-CG 4.46Å; L115-K117 PolarHBondContact O-N 3.28Å
116L95.3Very high91.3Very high47 Ų4747.4 Ų47.425%0.24625%0.247CC..EExtended strand (participates in β ladder)trans-71.6128.7169.8-83.1-60.8000109H83 G84 A85 R114 L165 I169H83-L116 PolarHBondContact O-N 2.98Å; H83-L116 VanDerWaalsContact O-N 3.09Å; G84-L116 CarbonylContact C-O 3.57Å; G84-L116 WeakPolarHBondContact CA-O 3.49Å; A85-L116 PolarHBondContact N-O 3.34Å; R114-L116 WeakPolarHBondContact O-CD2 3.16Å; R114-L116 PolarHBondContact O-N 3.26Å; R114-L116 VanDerWaalsContact O-N 3.14Å; L116-L165 HydrophobicContact CB-CD1 3.84Å; L116-I169 HydrophobicContact CB-CG1 3.94Å; L116-I169 HydrophobicContact CD2-CG1 4.25Å; L116-I169 HydrophobicContact CG-CG1 3.96Å
117K96.3Very high91.6Very high47 Ų4754.2 Ų54.220%0.20428%0.284CS..EExtended strand (participates in β ladder)trans-115.1136-172.8-64.1168.5-73.1174.80110.6F87 L115 I143 G144 S145 I146F87-K117 HydrophobicContact CD2-CB 4.45Å; F87-K117 HydrophobicContact CE2-CB 3.95Å; F87-K117 HydrophobicContact CE2-CD 3.98Å; F87-K117 HydrophobicContact CE2-CG 3.75Å; F87-K117 HydrophobicContact CZ-CG 4.48Å; L115-K117 HydrophobicContact CD2-CG 4.45Å; L115-K117 HydrophobicContact CG-CG 4.46Å; L115-K117 PolarHBondContact O-N 3.28Å; K117-I143 PolarHBondContact NZ-O 3Å; K117-G144 WeakPolarHBondContact CE-O 3.36Å; K117-S145 VanDerWaalsContact O-CA 3.29Å; K117-S145 WeakPolarHBondContact O-CA 3.44Å; K117-S145 WeakPolarHBondContact O-CB 3.28Å; K117-I146 PolarHBondContact O-N 3.05Å
118M98.4Very high91.9Very high2 Ų258.6 Ų58.61%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-126.8131.2168.9-178.1176.1-76.900109.4A85 L86 F87 V120 I146 V148 A161 E164 L165A85-M118 PolarHBondContact O-N 2.82Å; L86-M118 CarbonylContact C-O 3.48Å; L86-M118 WeakPolarHBondContact CA-O 3.33Å; L86-M118 HydrophobicContact CD2-SD 4.48Å; F87-M118 PolarHBondContact N-O 3.39Å; M118-V120 HydrophobicContact CG-CG2 4.02Å; M118-V120 HydrophobicContact SD-CG2 4.2Å; M118-I146 CarbonylContact C-O 3.59Å; M118-I146 WeakPolarHBondContact CA-O 3.32Å; M118-I146 HydrophobicContact CE-CB 4.31Å; M118-I146 HydrophobicContact CE-CG2 4.1Å; M118-I146 HydrophobicContact CG-CB 4.44Å; M118-V148 HydrophobicContact CG-CG1 4.08Å; M118-V148 HydrophobicContact SD-CB 4.49Å; M118-V148 HydrophobicContact SD-CG1 3.58Å; M118-V148 VanDerWaalsContact SD-CG1 3.58Å; M118-A161 WeakPolarHBondContact CE-O 3.29Å; M118-A161 HydrophobicContact SD-CB 3.95Å; M118-E164 HydrophobicContact CE-CB 4.3Å; M118-E164 HydrophobicContact CE-CG 4.42Å; M118-L165 HydrophobicContact CB-CD1 4.38Å; M118-L165 HydrophobicContact CE-CB 4Å
119L98.8Very high92.3Very high0 Ų056.2 Ų56.20%030%0.298CS..EExtended strand (participates in β ladder)trans-90.8131.2165.7-176.376.3000108.7F87 Y89 L97 V100 G136 F139 A140 I146 F147 V148F87-L119 HydrophobicContact CB-CD1 4.1Å; F87-L119 CarbonylContact O-C 3.5Å; F87-L119 WeakPolarHBondContact O-CA 3.37Å; Y89-L119 HydrophobicContact CD1-CD1 3.89Å; Y89-L119 HydrophobicContact CD1-CD2 4.38Å; Y89-L119 HydrophobicContact CD1-CG 4.04Å; Y89-L119 HydrophobicContact CE1-CD1 4.28Å; Y89-L119 HydrophobicContact CE1-CD2 3.95Å; Y89-L119 HydrophobicContact CE1-CG 3.95Å; L97-L119 HydrophobicContact CD1-CD1 4.35Å; L97-L119 HydrophobicContact CD1-CD2 4.1Å; V100-L119 HydrophobicContact CB-CD1 4.43Å; V100-L119 HydrophobicContact CG1-CD1 3.92Å; V100-L119 HydrophobicContact CG2-CD1 3.99Å; L119-G136 VanDerWaalsContact CD2-O 3.28Å; L119-G136 WeakPolarHBondContact CD2-O 3.14Å; L119-F139 HydrophobicContact CD1-CD1 4.21Å; L119-F139 HydrophobicContact CD1-CE1 4.25Å; L119-F139 HydrophobicContact CD2-CD1 3.78Å; L119-A140 HydrophobicContact CB-CB 3.95Å; L119-A140 HydrophobicContact CD2-CB 3.78Å; L119-I146 PolarHBondContact N-O 3.34Å; L119-F147 HydrophobicContact CB-CD2 4.24Å; L119-F147 HydrophobicContact CD2-CD2 3.89Å; L119-F147 HydrophobicContact CD2-CE2 4.19Å; L119-F147 HydrophobicContact CG-CD2 4.22Å; L119-F147 WeakPolarHBondContact O-CA 3.48Å; L119-V148 PolarHBondContact O-N 3.24Å
120V98.9Very high92.9Very high1 Ų156 Ų561%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-120.9111.9-178.2-176.50000109.2L24 L86 F87 V88 Y89 M118 N122 V148 T150L24-V120 HydrophobicContact CD1-CG1 4.07Å; L86-V120 HydrophobicContact CB-CG2 4.18Å; L86-V120 HydrophobicContact CD2-CG2 4.04Å; F87-V120 PolarHBondContact O-N 2.91Å; V88-V120 WeakPolarHBondContact CA-O 3.49Å; V88-V120 HydrophobicContact CG2-CB 4.27Å; Y89-V120 VanDerWaalsContact CD1-O 3.29Å; Y89-V120 WeakPolarHBondContact CD1-O 3.45Å; Y89-V120 PolarHBondContact N-O 2.92Å; M118-V120 HydrophobicContact CG-CG2 4.02Å; M118-V120 HydrophobicContact SD-CG2 4.2Å; V120-N122 PolarHBondContact O-N 2.95Å; V120-V148 WeakPolarHBondContact CA-O 3.28Å; V120-V148 HydrophobicContact CB-CG1 4.39Å; V120-V148 HydrophobicContact CG1-CG1 4.3Å; V120-V148 HydrophobicContact CG2-CG1 3.91Å; V120-T150 HydrophobicContact CG1-CG2 3.75Å; V120-T150 WeakPolarHBondContact CG1-OG1 3.14Å
121G98.8Very high93.5Very high0 Ų053.2 Ų53.20%029%0.287CS..EExtended strand (participates in β ladder)trans-86.299.3168.800000110.4V148 E149 T150G121-V148 PolarHBondContact N-O 3.03Å; G121-E149 CarbonylContact O-C 3.37Å; G121-E149 WeakPolarHBondContact O-CA 3.18Å; G121-T150 PolarHBondContact O-N 3.09Å
122N98.9Very high94.3Very high3 Ų354.8 Ų54.82%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-89.5165.7-177-170.933.1000112V19 L24 V88 Y89 V91 V120 T150 A152V19-N122 PolarHBondContact O-ND2 3.1Å; L24-N122 HydrophobicContact CD1-CB 4.28Å; V88-N122 HydrophobicContact CG1-CB 3.91Å; Y89-N122 PolarHBondContact O-N 2.86Å; V91-N122 WeakPolarHBondContact CG2-O 3.3Å; V91-N122 PolarHBondContact N-O 2.75Å; V120-N122 PolarHBondContact O-N 2.95Å; N122-T150 CarbonylContact C-O 3.46Å; N122-T150 VanDerWaalsContact CA-O 3.27Å; N122-T150 WeakPolarHBondContact CA-O 3.31Å; N122-T150 PolarHBondContact OD1-O 2.98Å; N122-T150 PolarHBondContact OD1-OG1 2.86Å; N122-A152 PolarHBondContact OD1-N 3.18Å
123K98.3Very high95.5Very high52 Ų5257.9 Ų57.923%0.22629%0.293CS..  trans69.935.9177.7-45-168.3-164.6166.40114.5G18 D90 V91 D125 L126 T150G18-K123 WeakPolarHBondContact O-CE 3.44Å; G18-K123 PolarHBondContact O-NZ 2.57Å; D90-K123 WeakPolarHBondContact OD2-CD 3.42Å; D90-K123 VanDerWaalsContact OD2-CE 3.24Å; D90-K123 WeakPolarHBondContact OD2-CE 3.45Å; D90-K123 IonicContact OD2-NZ 2.7Å; D90-K123 PolarHBondContact OD2-NZ 3.04Å; V91-K123 WeakPolarHBondContact CG2-O 3.41Å; K123-D125 WeakPolarHBondContact CA-OD1 3.25Å; K123-D125 PolarHBondContact O-N 2.75Å; K123-D125 VanDerWaalsContact O-N 3.11Å; K123-L126 HydrophobicContact CB-CD1 3.9Å; K123-L126 HydrophobicContact CB-CG 4.18Å; K123-L126 HydrophobicContact CD-CD1 3.95Å; K123-L126 PolarHBondContact O-N 3.26Å; K123-L126 VanDerWaalsContact O-N 3.12Å; K123-T150 PolarHBondContact N-O 2.96Å
124I98.7Very high96.9Very high33 Ų3358.9 Ų58.917%0.16928%0.281CS..THydrogen-bonded Turntrans-64.6-10.4173.864.4-175.7000114.4V91 L126 E149 T150 E156V91-I124 HydrophobicContact CG1-CG2 4.08Å; V91-I124 HydrophobicContact CG2-CG2 4.34Å; I124-L126 PolarHBondContact O-N 3.08Å; I124-E149 HydrophobicContact CD1-CB 4.36Å; I124-E149 HydrophobicContact CG2-CB 3.69Å; I124-E149 HydrophobicContact CG2-CG 4.36Å; I124-T150 WeakPolarHBondContact CG1-O 3.38Å; I124-T150 PolarHBondContact N-O 3.23Å; I124-E156 HydrophobicContact CD1-CB 4.35Å; I124-E156 VanDerWaalsContact CD1-CD 3.49Å; I124-E156 HydrophobicContact CD1-CG 4.13Å; I124-E156 WeakPolarHBondContact CD1-OE1 3.44Å
125D98.4Very high97.6Very high45 Ų4558.1 Ų58.124%0.24128%0.283CS..THydrogen-bonded Turntrans-73.4-6.417262.6-82.4000114.1K123 S151 K153 T154K123-D125 WeakPolarHBondContact CA-OD1 3.25Å; K123-D125 PolarHBondContact O-N 2.75Å; K123-D125 VanDerWaalsContact O-N 3.11Å; D125-S151 VanDerWaalsContact CG-OG 3.29Å; D125-S151 WeakPolarHBondContact OD1-CB 3.5Å; D125-S151 PolarHBondContact OD1-OG 3.19Å; D125-K153 HydrophobicContact CB-CD 4.45Å; D125-K153 WeakPolarHBondContact OD2-CD 3.48Å; D125-K153 IonicContact OD2-NZ 3.57Å; D125-T154 HydrophobicContact CB-CG2 3.8Å
126L97.4Very high97.9Very high60 Ų6057.3 Ų57.331%0.31428%0.279SS..  trans-98.4133179.2-58.6-178.1000111.6T92 K123 I124 N128T92-L126 HydrophobicContact CG2-CB 3.76Å; T92-L126 HydrophobicContact CG2-CD1 3.83Å; T92-L126 HydrophobicContact CG2-CG 4.42Å; K123-L126 HydrophobicContact CB-CD1 3.9Å; K123-L126 HydrophobicContact CB-CG 4.18Å; K123-L126 HydrophobicContact CD-CD1 3.95Å; K123-L126 PolarHBondContact O-N 3.26Å; K123-L126 VanDerWaalsContact O-N 3.12Å; I124-L126 PolarHBondContact O-N 3.08Å; L126-N128 VanDerWaalsContact C-N 3.34Å; L126-N128 WeakPolarHBondContact CB-OD1 3.44Å; L126-N128 PolarHBondContact O-N 3.28Å
127D94.3Very high98Very high171 Ų17157 Ų5791%0.91428%0.28SS*.SBendtrans-73.8-22-176.7-64.3-46.3000113.8R129D127-R129 PolarHBondContact O-N 2.89Å
128N95.7Very high98.1Very high98 Ų9857.9 Ų57.952%0.52429%0.287SS..  trans-82.543-177.364.3-50.1000113T92 L126 M130T92-N128 WeakPolarHBondContact CB-O 3.44Å; T92-N128 WeakPolarHBondContact CG2-OD1 3.32Å; L126-N128 VanDerWaalsContact C-N 3.34Å; L126-N128 WeakPolarHBondContact CB-OD1 3.44Å; L126-N128 PolarHBondContact O-N 3.28Å; N128-M130 PolarHBondContact O-N 3.47Å
129R98.3Very high98.2Very high92 Ų9259 Ų5935%0.34729%0.292SS..  trans-57.7129.8177.3176.9179.9-79.2-102.313.3110.7V91 D127 V131 E149V91-R129 HydrophobicContact CB-CG 4.49Å; D127-R129 PolarHBondContact O-N 2.89Å; R129-V131 VanDerWaalsContact CD-O 3.28Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.5Å; R129-V131 PolarHBondContact NH1-O 2.9Å; R129-E149 IonicContact CZ-OE1 3.16Å; R129-E149 IonicContact CZ-OE2 2.77Å; R129-E149 IonicContact NH1-OE1 2.89Å; R129-E149 PolarHBondContact NH1-OE1 3.44Å; R129-E149 IonicContact NH1-OE2 3.88Å; R129-E149 VanDerWaalsContact NH2-CD 3.28Å; R129-E149 IonicContact NH2-OE1 2.71Å; R129-E149 PolarHBondContact NH2-OE1 3.12Å; R129-E149 VanDerWaalsContact NH2-OE1 3.16Å; R129-E149 IonicContact NH2-OE2 3.79Å; R129-E149 PolarHBondContact NH2-OE2 3.38Å
130M98.4Very high98.1Very high121 Ų12159.1 Ų59.160%0.59629%0.293SS*.  trans-114-18.1175.6-61.6-171.16900113.3V91 V94 N128V91-M130 PolarHBondContact O-N 3.16Å; V94-M130 HydrophobicContact CG2-CB 3.87Å; V94-M130 HydrophobicContact CG2-CE 4.28Å; N128-M130 PolarHBondContact O-N 3.47Å
131V98.4Very high98.1Very high3 Ų367.7 Ų67.72%0.01833%0.325CS..SBendtrans-113.6119.6175.7178.80000108.4Y89 V91 V94 L97 R129 E135Y89-V131 HydrophobicContact CE2-CB 3.96Å; Y89-V131 HydrophobicContact CE2-CG1 3.77Å; Y89-V131 HydrophobicContact CE2-CG2 4.16Å; V91-V131 PolarHBondContact O-N 3.01Å; V94-V131 HydrophobicContact CB-CG2 4.44Å; V94-V131 HydrophobicContact CG2-CG2 4.05Å; L97-V131 HydrophobicContact CB-CG2 4.41Å; L97-V131 HydrophobicContact CD2-CG1 3.8Å; L97-V131 HydrophobicContact CD2-CG2 4.41Å; R129-V131 VanDerWaalsContact CD-O 3.28Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.5Å; R129-V131 PolarHBondContact NH1-O 2.9Å; V131-E135 HydrophobicContact CG1-CB 4.07Å
132S98.3Very high98Very high46 Ų4671.8 Ų71.832%0.32235%0.354SS..  trans-70153.3174.969.20000111.6K134 E135 G136S132-K134 PolarHBondContact O-N 3.19Å; S132-K134 VanDerWaalsContact O-N 3.16Å; S132-E135 VanDerWaalsContact CB-OE2 3.3Å; S132-E135 WeakPolarHBondContact CB-OE2 3.49Å; S132-E135 PolarHBondContact N-OE2 3.32Å; S132-E135 PolarHBondContact O-N 3.42Å; S132-E135 VanDerWaalsContact O-N 3.11Å; S132-E135 VanDerWaalsContact OG-CG 3.25Å; S132-E135 WeakPolarHBondContact OG-CG 3.2Å; S132-E135 PolarHBondContact OG-N 3.41Å; S132-E135 VanDerWaalsContact OG-N 3.15Å; S132-E135 PolarHBondContact OG-OE2 2.82Å; S132-G136 PolarHBondContact O-N 3.3Å
133K98.3Very high97.9Very high130 Ų13072.3 Ų72.357%0.56536%0.356SS*.Hα-helixtrans-56.6-32.4174.5-170.4171.3-174.7167.60112.3S137 F147 E149K133-S137 WeakPolarHBondContact O-CB 3.45Å; K133-S137 PolarHBondContact O-N 3.03Å; K133-F147 HydrophobicContact CG-CE1 3.81Å; K133-F147 HydrophobicContact CG-CZ 4.37Å; K133-F147 WeakPolarHBondContact O-CE1 3.31Å; K133-E149 HydrophobicContact CG-CG 4.44Å
134K98.5Very high97.8Very high147 Ų14772.4 Ų72.464%0.63937%0.372SS*.Hα-helixtrans-65.9-49.5175.7-175.8-177.8170.964.10111.4S132 G136 S137 D138S132-K134 PolarHBondContact O-N 3.19Å; S132-K134 VanDerWaalsContact O-N 3.16Å; K134-G136 VanDerWaalsContact C-N 3.33Å; K134-G136 PolarHBondContact O-N 2.95Å; K134-S137 PolarHBondContact O-N 2.9Å; K134-D138 WeakPolarHBondContact CG-OD2 3.4Å; K134-D138 IonicContact NZ-OD2 2.96Å; K134-D138 WeakPolarHBondContact O-CB 3.07Å; K134-D138 PolarHBondContact O-N 3.04Å
135E98.4Very high97.7Very high105 Ų10571.6 Ų71.649%0.49137%0.369SS..Hα-helixtrans-60-43177.8-73.1163.4126.600111.9V131 S132 D138 F139V131-E135 HydrophobicContact CG1-CB 4.07Å; S132-E135 VanDerWaalsContact CB-OE2 3.3Å; S132-E135 WeakPolarHBondContact CB-OE2 3.49Å; S132-E135 PolarHBondContact N-OE2 3.32Å; S132-E135 PolarHBondContact O-N 3.42Å; S132-E135 VanDerWaalsContact O-N 3.11Å; S132-E135 VanDerWaalsContact OG-CG 3.25Å; S132-E135 WeakPolarHBondContact OG-CG 3.2Å; S132-E135 PolarHBondContact OG-N 3.41Å; S132-E135 VanDerWaalsContact OG-N 3.15Å; S132-E135 PolarHBondContact OG-OE2 2.82Å; E135-D138 PolarHBondContact O-N 2.98Å; E135-F139 VanDerWaalsContact O-CB 3.32Å; E135-F139 WeakPolarHBondContact O-CB 3.5Å; E135-F139 PolarHBondContact O-N 3.06Å
136G98.6Very high97.6Very high0 Ų072.1 Ų72.10%037%0.372CS..Hα-helixtrans-60.2-45.1174.200000112.6L119 S132 K134 F139 A140L119-G136 VanDerWaalsContact CD2-O 3.28Å; L119-G136 WeakPolarHBondContact CD2-O 3.14Å; S132-G136 PolarHBondContact O-N 3.3Å; K134-G136 VanDerWaalsContact C-N 3.33Å; K134-G136 PolarHBondContact O-N 2.95Å; G136-F139 PolarHBondContact O-N 2.9Å; G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.89Å
137S98.6Very high97.7Very high41 Ų4171.2 Ų71.229%0.28737%0.365SS..Hα-helixtrans-65.7-42.7178-172.90000113K133 K134 F139 A140 R141K133-S137 WeakPolarHBondContact O-CB 3.45Å; K133-S137 PolarHBondContact O-N 3.03Å; K134-S137 PolarHBondContact O-N 2.9Å; S137-F139 VanDerWaalsContact C-N 3.35Å; S137-A140 PolarHBondContact O-N 2.87Å; S137-R141 PolarHBondContact O-N 3.34Å
138D98.7Very high97.9Very high65 Ų6564.3 Ų64.335%0.34833%0.329SS..Hα-helixtrans-66-40178.2-71.3-21.8000110.4K134 E135 R141 S142K134-D138 WeakPolarHBondContact CG-OD2 3.4Å; K134-D138 IonicContact NZ-OD2 2.96Å; K134-D138 WeakPolarHBondContact O-CB 3.07Å; K134-D138 PolarHBondContact O-N 3.04Å; E135-D138 PolarHBondContact O-N 2.98Å; D138-R141 PolarHBondContact O-N 3.24Å; D138-R141 IonicContact OD1-NH2 3.9Å; D138-S142 PolarHBondContact O-N 3.45Å; D138-S142 VanDerWaalsContact O-N 3.1Å
139F98.6Very high98.1Very high27 Ų2760.3 Ų60.312%0.11831%0.308CS..Hα-helixtrans-63.7-46.5173.1-176-99.3000112.3L97 V100 K101 L119 E135 G136 S137 R141 S142 I143L97-F139 HydrophobicContact CD1-CB 4.36Å; L97-F139 HydrophobicContact CD1-CD1 3.61Å; L97-F139 HydrophobicContact CD1-CE1 4.12Å; L97-F139 HydrophobicContact CD1-CG 4.04Å; L97-F139 HydrophobicContact CD2-CB 4.41Å; L97-F139 HydrophobicContact CD2-CG 4.5Å; L97-F139 HydrophobicContact CG-CD1 4.28Å; L97-F139 HydrophobicContact CG-CG 4.32Å; V100-F139 HydrophobicContact CB-CE1 3.76Å; V100-F139 HydrophobicContact CB-CZ 4.07Å; V100-F139 HydrophobicContact CG1-CE1 3.67Å; V100-F139 HydrophobicContact CG1-CZ 4.19Å; K101-F139 HydrophobicContact CD-CE2 4.4Å; K101-F139 HydrophobicContact CG-CE2 3.81Å; K101-F139 HydrophobicContact CG-CZ 3.75Å; L119-F139 HydrophobicContact CD1-CD1 4.21Å; L119-F139 HydrophobicContact CD1-CE1 4.25Å; L119-F139 HydrophobicContact CD2-CD1 3.78Å; E135-F139 VanDerWaalsContact O-CB 3.32Å; E135-F139 WeakPolarHBondContact O-CB 3.5Å; E135-F139 PolarHBondContact O-N 3.06Å; G136-F139 PolarHBondContact O-N 2.9Å; S137-F139 VanDerWaalsContact C-N 3.35Å; F139-R141 VanDerWaalsContact C-N 3.28Å; F139-R141 PolarHBondContact O-N 3.09Å; F139-S142 WeakPolarHBondContact O-CB 3.2Å; F139-S142 PolarHBondContact O-N 3.13Å; F139-S142 PolarHBondContact O-OG 3.1Å; F139-I143 HydrophobicContact CD1-CD1 4.44Å; F139-I143 HydrophobicContact CE1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CG2 4.22Å; F139-I143 HydrophobicContact CE2-CG2 4.42Å; F139-I143 HydrophobicContact CZ-CG2 4.02Å; F139-I143 PolarHBondContact O-N 3.04Å
140A98.6Very high98.1Very high1 Ų156 Ų561%0.00829%0.291CS..Hα-helixtrans-56.2-43.4176.600000112L119 G136 S137 S142 I143 G144 S145 F147L119-A140 HydrophobicContact CB-CB 3.95Å; L119-A140 HydrophobicContact CD2-CB 3.78Å; G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.89Å; S137-A140 PolarHBondContact O-N 2.87Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 2.78Å; A140-I143 WeakPolarHBondContact O-CG1 3.47Å; A140-I143 PolarHBondContact O-N 3.31Å; A140-G144 PolarHBondContact O-N 3.27Å; A140-G144 VanDerWaalsContact O-N 3.12Å; A140-S145 WeakPolarHBondContact CA-OG 3.1Å; A140-S145 WeakPolarHBondContact CB-OG 3.47Å; A140-S145 PolarHBondContact O-N 3.12Å; A140-S145 PolarHBondContact O-OG 3.13Å; A140-F147 HydrophobicContact CB-CB 3.66Å; A140-F147 HydrophobicContact CB-CD2 4.36Å; A140-F147 HydrophobicContact CB-CG 4.23Å
141R98.2Very high98.1Very high181 Ų18150.2 Ų50.268%0.68326%0.263SS*.Hα-helixtrans-60.1-42.6175.4-166.8-178.4-56.2159.910.8111.6S137 D138 F139 I143 G144S137-R141 PolarHBondContact O-N 3.34Å; D138-R141 PolarHBondContact O-N 3.24Å; D138-R141 IonicContact OD1-NH2 3.9Å; F139-R141 VanDerWaalsContact C-N 3.28Å; F139-R141 PolarHBondContact O-N 3.09Å; R141-I143 VanDerWaalsContact C-N 3.26Å; R141-I143 PolarHBondContact O-N 2.93Å; R141-G144 PolarHBondContact O-N 3.41Å; R141-G144 VanDerWaalsContact O-N 3.14Å
142S97.6Very high98.1Very high86 Ų8650.2 Ų50.260%0.60126%0.263SS*.Hα-helixtrans-62.8-29.2179.780.70000114D138 F139 A140D138-S142 PolarHBondContact O-N 3.45Å; D138-S142 VanDerWaalsContact O-N 3.1Å; F139-S142 WeakPolarHBondContact O-CB 3.2Å; F139-S142 PolarHBondContact O-N 3.13Å; F139-S142 PolarHBondContact O-OG 3.1Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 2.78Å
143I95.7Very high98.1Very high14 Ų1452.5 Ų52.57%0.07227%0.267CS..THydrogen-bonded Turntrans-98.12.3178.265.3168.2000112.9F87 V100 V104 K117 F139 A140 R141 S145F87-I143 HydrophobicContact CD2-CD1 4.36Å; V100-I143 HydrophobicContact CG1-CD1 4.23Å; V104-I143 HydrophobicContact CG2-CB 4.35Å; V104-I143 HydrophobicContact CG2-CD1 3.73Å; V104-I143 HydrophobicContact CG2-CG2 4.35Å; K117-I143 PolarHBondContact NZ-O 3Å; F139-I143 HydrophobicContact CD1-CD1 4.44Å; F139-I143 HydrophobicContact CE1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CG2 4.22Å; F139-I143 HydrophobicContact CE2-CG2 4.42Å; F139-I143 HydrophobicContact CZ-CG2 4.02Å; F139-I143 PolarHBondContact O-N 3.04Å; A140-I143 WeakPolarHBondContact O-CG1 3.47Å; A140-I143 PolarHBondContact O-N 3.31Å; R141-I143 VanDerWaalsContact C-N 3.26Å; R141-I143 PolarHBondContact O-N 2.93Å; I143-S145 WeakPolarHBondContact CG1-OG 3Å
144G95.6Very high98.1Very high54 Ų5450.1 Ų50.156%0.55726%0.264SS*.THydrogen-bonded Turntrans62.548-17700000112.3K117 A140 R141K117-G144 WeakPolarHBondContact CE-O 3.36Å; A140-G144 PolarHBondContact O-N 3.27Å; A140-G144 VanDerWaalsContact O-N 3.12Å; R141-G144 PolarHBondContact O-N 3.41Å; R141-G144 VanDerWaalsContact O-N 3.14Å
145S97Very high98.1Very high16 Ų1645.4 Ų45.411%0.11225%0.249CC..  trans-120154.517671.30000111.7K117 A140 I143K117-S145 VanDerWaalsContact O-CA 3.29Å; K117-S145 WeakPolarHBondContact O-CA 3.44Å; K117-S145 WeakPolarHBondContact O-CB 3.28Å; A140-S145 WeakPolarHBondContact CA-OG 3.1Å; A140-S145 WeakPolarHBondContact CB-OG 3.47Å; A140-S145 PolarHBondContact O-N 3.12Å; A140-S145 PolarHBondContact O-OG 3.13Å; I143-S145 WeakPolarHBondContact CG1-OG 3Å
146I97.4Very high98.1Very high56 Ų5645 Ų4529%0.28725%0.247SC..EExtended strand (participates in β ladder)trans-67.1157.6164.1-51.4168.2000108K117 M118 L119 K168K117-I146 PolarHBondContact O-N 3.05Å; M118-I146 CarbonylContact C-O 3.59Å; M118-I146 WeakPolarHBondContact CA-O 3.32Å; M118-I146 HydrophobicContact CE-CB 4.31Å; M118-I146 HydrophobicContact CE-CG2 4.1Å; M118-I146 HydrophobicContact CG-CB 4.44Å; L119-I146 PolarHBondContact N-O 3.34Å; I146-K168 HydrophobicContact CD1-CB 4.35Å; I146-K168 HydrophobicContact CD1-CD 4.46Å; I146-K168 HydrophobicContact CD1-CG 3.71Å
147F98.6Very high98.1Very high41 Ų4147.7 Ų47.718%0.1826%0.262CS..EExtended strand (participates in β ladder)trans-127.2134.6178.2178.9-125.5000111.4Y89 L119 K133 A140 E149Y89-F147 HydrophobicContact CE1-CE2 4.22Å; L119-F147 HydrophobicContact CB-CD2 4.24Å; L119-F147 HydrophobicContact CD2-CD2 3.89Å; L119-F147 HydrophobicContact CD2-CE2 4.19Å; L119-F147 HydrophobicContact CG-CD2 4.22Å; L119-F147 WeakPolarHBondContact O-CA 3.48Å; K133-F147 HydrophobicContact CG-CE1 3.81Å; K133-F147 HydrophobicContact CG-CZ 4.37Å; K133-F147 WeakPolarHBondContact O-CE1 3.31Å; A140-F147 HydrophobicContact CB-CB 3.66Å; A140-F147 HydrophobicContact CB-CD2 4.36Å; A140-F147 HydrophobicContact CB-CG 4.23Å; F147-E149 HydrophobicContact CE1-CG 4.09Å; F147-E149 HydrophobicContact CE2-CG 4.11Å; F147-E149 HydrophobicContact CZ-CG 3.48Å; F147-E149 VanDerWaalsContact CZ-CG 3.48Å
148V98.6Very high98.1Very high27 Ų2745.8 Ų45.816%0.16425%0.248CC..EExtended strand (participates in β ladder)trans-142.6151.5170.867.50000109.2M118 L119 V120 G121 T150 N157 A161M118-V148 HydrophobicContact CG-CG1 4.08Å; M118-V148 HydrophobicContact SD-CB 4.49Å; M118-V148 HydrophobicContact SD-CG1 3.58Å; M118-V148 VanDerWaalsContact SD-CG1 3.58Å; L119-V148 PolarHBondContact O-N 3.24Å; V120-V148 WeakPolarHBondContact CA-O 3.28Å; V120-V148 HydrophobicContact CB-CG1 4.39Å; V120-V148 HydrophobicContact CG1-CG1 4.3Å; V120-V148 HydrophobicContact CG2-CG1 3.91Å; G121-V148 PolarHBondContact N-O 3.03Å; V148-T150 HydrophobicContact CG1-CG2 4.21Å; V148-T150 HydrophobicContact CG2-CG2 4.31Å; V148-N157 HydrophobicContact CG2-CB 3.96Å; V148-A161 HydrophobicContact CG1-CB 3.8Å
149E98.8Very high98.1Very high14 Ų1448.8 Ų48.87%0.06526%0.255CS..EExtended strand (participates in β ladder)trans-111.3141.6168.3-64.7-167.6144.300109.6G121 I124 R129 K133 F147 N157G121-E149 CarbonylContact O-C 3.37Å; G121-E149 WeakPolarHBondContact O-CA 3.18Å; I124-E149 HydrophobicContact CD1-CB 4.36Å; I124-E149 HydrophobicContact CG2-CB 3.69Å; I124-E149 HydrophobicContact CG2-CG 4.36Å; R129-E149 IonicContact CZ-OE1 3.16Å; R129-E149 IonicContact CZ-OE2 2.77Å; R129-E149 IonicContact NH1-OE1 2.89Å; R129-E149 PolarHBondContact NH1-OE1 3.44Å; R129-E149 IonicContact NH1-OE2 3.88Å; R129-E149 VanDerWaalsContact NH2-CD 3.28Å; R129-E149 IonicContact NH2-OE1 2.71Å; R129-E149 PolarHBondContact NH2-OE1 3.12Å; R129-E149 VanDerWaalsContact NH2-OE1 3.16Å; R129-E149 IonicContact NH2-OE2 3.79Å; R129-E149 PolarHBondContact NH2-OE2 3.38Å; K133-E149 HydrophobicContact CG-CG 4.44Å; F147-E149 HydrophobicContact CE1-CG 4.09Å; F147-E149 HydrophobicContact CE2-CG 4.11Å; F147-E149 HydrophobicContact CZ-CG 3.48Å; F147-E149 VanDerWaalsContact CZ-CG 3.48Å; E149-N157 WeakPolarHBondContact O-CB 3.33Å; E149-N157 PolarHBondContact O-ND2 3.24Å
150T98.9Very high98Very high0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-137.9161.5-172.459.70000112L24 V120 G121 N122 K123 I124 V148 E156 N157 A161L24-T150 WeakPolarHBondContact CD2-OG1 3.19Å; V120-T150 HydrophobicContact CG1-CG2 3.75Å; V120-T150 WeakPolarHBondContact CG1-OG1 3.14Å; G121-T150 PolarHBondContact O-N 3.09Å; N122-T150 CarbonylContact C-O 3.46Å; N122-T150 VanDerWaalsContact CA-O 3.27Å; N122-T150 WeakPolarHBondContact CA-O 3.31Å; N122-T150 PolarHBondContact OD1-O 2.98Å; N122-T150 PolarHBondContact OD1-OG1 2.86Å; K123-T150 PolarHBondContact N-O 2.96Å; I124-T150 WeakPolarHBondContact CG1-O 3.38Å; I124-T150 PolarHBondContact N-O 3.23Å; V148-T150 HydrophobicContact CG1-CG2 4.21Å; V148-T150 HydrophobicContact CG2-CG2 4.31Å; T150-E156 VanDerWaalsContact CA-O 3.29Å; T150-E156 WeakPolarHBondContact CA-O 3.32Å; T150-N157 HydrophobicContact CG2-CB 4.03Å; T150-A161 HydrophobicContact CG2-CB 4.2Å
151S98.7Very high98Very high0 Ų052 Ų520%027%0.273CS..  trans-132.3114.5159.9171.10000109.8D125 K153 T154 S155 E156 V158D125-S151 VanDerWaalsContact CG-OG 3.29Å; D125-S151 WeakPolarHBondContact OD1-CB 3.5Å; D125-S151 PolarHBondContact OD1-OG 3.19Å; S151-K153 PolarHBondContact O-N 3.36Å; S151-K153 PolarHBondContact OG-N 3.08Å; S151-T154 WeakPolarHBondContact CB-OG1 3.45Å; S151-T154 PolarHBondContact OG-N 2.91Å; S151-T154 VanDerWaalsContact OG-N 3.08Å; S151-T154 PolarHBondContact OG-OG1 3.42Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.29Å; S151-S155 WeakPolarHBondContact O-CA 3.07Å; S151-S155 PolarHBondContact O-N 2.91Å; S151-E156 PolarHBondContact N-O 3.01Å; S151-E156 PolarHBondContact O-N 3.12Å; S151-V158 WeakPolarHBondContact O-CG2 3.29Å
152A98.6Very high98Very high3 Ų343.5 Ų43.53%0.02524%0.241CC..THydrogen-bonded Turntrans-59.6-29.5169.500000112.6L24 R27 F33 N122L24-A152 HydrophobicContact CD2-CB 3.99Å; L24-A152 HydrophobicContact CG-CB 4.19Å; R27-A152 PolarHBondContact NE-O 2.79Å; F33-A152 HydrophobicContact CD2-CB 4.06Å; F33-A152 WeakPolarHBondContact CD2-O 3.48Å; F33-A152 HydrophobicContact CE2-CB 4.08Å; N122-A152 PolarHBondContact OD1-N 3.18Å
153K98.2Very high98Very high95 Ų9539.8 Ų39.841%0.41322%0.215SC..THydrogen-bonded Turntrans-70.1-52.2-179-174.6-169.8-179-176.90111.1R27 F33 D125 S151R27-K153 PolarHBondContact NH2-O 3.4Å; F33-K153 HydrophobicContact CD1-CB 4.33Å; F33-K153 HydrophobicContact CD1-CG 4.1Å; F33-K153 HydrophobicContact CD2-CB 4.3Å; F33-K153 HydrophobicContact CE1-CB 4.07Å; F33-K153 HydrophobicContact CE1-CG 3.87Å; F33-K153 HydrophobicContact CE2-CB 4.03Å; F33-K153 HydrophobicContact CG-CB 4.43Å; F33-K153 HydrophobicContact CZ-CB 3.91Å; F33-K153 HydrophobicContact CZ-CG 4.2Å; D125-K153 HydrophobicContact CB-CD 4.45Å; D125-K153 WeakPolarHBondContact OD2-CD 3.48Å; D125-K153 IonicContact OD2-NZ 3.57Å; S151-K153 PolarHBondContact O-N 3.36Å; S151-K153 PolarHBondContact OG-N 3.08Å
154T98.2Very high98.1Very high80 Ų8042.2 Ų42.249%0.49123%0.226SC..THydrogen-bonded Turntrans-89.8-6-17766.90000113.7D125 S151 E156D125-T154 HydrophobicContact CB-CG2 3.8Å; S151-T154 WeakPolarHBondContact CB-OG1 3.45Å; S151-T154 PolarHBondContact OG-N 2.91Å; S151-T154 VanDerWaalsContact OG-N 3.08Å; S151-T154 PolarHBondContact OG-OG1 3.42Å; T154-E156 PolarHBondContact O-N 3.11Å; T154-E156 WeakPolarHBondContact OG1-CB 3.45Å; T154-E156 PolarHBondContact OG1-N 2.97Å
155S98.3Very high98.2Very high47 Ų4739.6 Ų39.633%0.32920%0.199SC..  trans720.6-172.5-156.70000114.7R27 S151 N157 V158R27-S155 WeakPolarHBondContact CD-OG 3.4Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.29Å; S151-S155 WeakPolarHBondContact O-CA 3.07Å; S151-S155 PolarHBondContact O-N 2.91Å; S155-N157 PolarHBondContact O-N 2.86Å; S155-V158 PolarHBondContact O-N 3.44Å
156E98.7Very high98.2Very high98 Ų9838.9 Ų38.946%0.45819%0.194SC..THydrogen-bonded Turntrans-58.6125.3-177.2-167.9180149.100111.7I124 T150 S151 T154 V158I124-E156 HydrophobicContact CD1-CB 4.35Å; I124-E156 VanDerWaalsContact CD1-CD 3.49Å; I124-E156 HydrophobicContact CD1-CG 4.13Å; I124-E156 WeakPolarHBondContact CD1-OE1 3.44Å; T150-E156 VanDerWaalsContact CA-O 3.29Å; T150-E156 WeakPolarHBondContact CA-O 3.32Å; S151-E156 PolarHBondContact N-O 3.01Å; S151-E156 PolarHBondContact O-N 3.12Å; T154-E156 PolarHBondContact O-N 3.11Å; T154-E156 WeakPolarHBondContact OG1-CB 3.45Å; T154-E156 PolarHBondContact OG1-N 2.97Å; E156-V158 PolarHBondContact O-N 3.1Å
157N98.5Very high98.2Very high56 Ų5639.7 Ų39.730%0.29919%0.194SC..THydrogen-bonded Turntrans567.7-180-55.4-38.1000116V148 E149 T150 S155 D160 A161V148-N157 HydrophobicContact CG2-CB 3.96Å; E149-N157 WeakPolarHBondContact O-CB 3.33Å; E149-N157 PolarHBondContact O-ND2 3.24Å; T150-N157 HydrophobicContact CG2-CB 4.03Å; S155-N157 PolarHBondContact O-N 2.86Å; N157-D160 PolarHBondContact O-N 2.85Å; N157-A161 WeakPolarHBondContact O-CB 3.36Å; N157-A161 PolarHBondContact O-N 2.55Å
158V98.7Very high98Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-65.1-53.2-176.1178.60000110.4L24 R27 F28 S151 S155 E156 D160 A161 F162L24-V158 HydrophobicContact CD2-CG1 4.13Å; L24-V158 HydrophobicContact CD2-CG2 3.76Å; R27-V158 HydrophobicContact CB-CG1 4.1Å; R27-V158 HydrophobicContact CG-CB 4.05Å; R27-V158 HydrophobicContact CG-CG1 3.85Å; R27-V158 HydrophobicContact CG-CG2 3.95Å; F28-V158 HydrophobicContact CB-CG1 4.06Å; S151-V158 WeakPolarHBondContact O-CG2 3.29Å; S155-V158 PolarHBondContact O-N 3.44Å; E156-V158 PolarHBondContact O-N 3.1Å; V158-D160 VanDerWaalsContact C-N 3.32Å; V158-D160 PolarHBondContact O-N 2.84Å; V158-A161 PolarHBondContact O-N 3.42Å; V158-F162 HydrophobicContact CG1-CD2 4.49Å; V158-F162 HydrophobicContact CG1-CE2 4.28Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.05Å
159R97.9Very high97.8Very high128 Ų12840.3 Ų40.348%0.48319%0.194SC..Hα-helixtrans-59.9-44.5178.1-174.9-178.5-178.795.9-6.4111.6F28 A161 F162 V163F28-R159 HydrophobicContact CE2-CG 4.29Å; R159-A161 VanDerWaalsContact C-N 3.3Å; R159-A161 PolarHBondContact O-N 3.49Å; R159-F162 PolarHBondContact O-N 3.49Å; R159-V163 HydrophobicContact CG-CG2 4.12Å; R159-V163 WeakPolarHBondContact O-CG2 3.33Å; R159-V163 PolarHBondContact O-N 3.02Å
160D97.6Very high97.6Very high93 Ų9340.3 Ų40.350%0.49720%0.195SC..Hα-helixtrans-63.2-37-177.5-64-30.5000112N157 V158 F162 V163 E164N157-D160 PolarHBondContact O-N 2.85Å; V158-D160 VanDerWaalsContact C-N 3.32Å; V158-D160 PolarHBondContact O-N 2.84Å; D160-F162 PolarHBondContact O-N 3.36Å; D160-V163 PolarHBondContact O-N 3.33Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.74Å
161A98.5Very high97.3Very high3 Ų346.2 Ų46.23%0.02522%0.222CC..Hα-helixtrans-58.1-50175.600000112.4M118 V148 T150 N157 V158 R159 L165M118-A161 WeakPolarHBondContact CE-O 3.29Å; M118-A161 HydrophobicContact SD-CB 3.95Å; V148-A161 HydrophobicContact CG1-CB 3.8Å; T150-A161 HydrophobicContact CG2-CB 4.2Å; N157-A161 WeakPolarHBondContact O-CB 3.36Å; N157-A161 PolarHBondContact O-N 2.55Å; V158-A161 PolarHBondContact O-N 3.42Å; R159-A161 VanDerWaalsContact C-N 3.3Å; R159-A161 PolarHBondContact O-N 3.49Å; A161-L165 WeakPolarHBondContact O-CB 3.24Å; A161-L165 PolarHBondContact O-N 2.93Å
162F98.4Very high96.9Very high3 Ų347.8 Ų47.81%0.01323%0.231CC..Hα-helixtrans-68.6-43179.9-75.1-87.3000112.2L11 L13 I25 F28 F59 I61 L86 V158 R159 D160 V166L11-F162 HydrophobicContact CD1-CD1 4Å; L13-F162 HydrophobicContact CD1-CE1 4.09Å; L13-F162 HydrophobicContact CD1-CZ 4.32Å; L13-F162 HydrophobicContact CD2-CZ 4.33Å; I25-F162 HydrophobicContact CG1-CZ 4.33Å; F28-F162 HydrophobicContact CB-CD2 3.73Å; F28-F162 HydrophobicContact CB-CE2 3.65Å; F28-F162 HydrophobicContact CB-CG 4.45Å; F28-F162 HydrophobicContact CB-CZ 4.3Å; F28-F162 HydrophobicContact CD1-CB 4.15Å; F28-F162 AromaticContact CD1-CD1 3.88Å; F28-F162 HydrophobicContact CD1-CD1 3.88Å; F28-F162 AromaticContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CE1 4.21Å; F28-F162 HydrophobicContact CD1-CE2 4.2Å; F28-F162 AromaticContact CD1-CG 3.69Å; F28-F162 HydrophobicContact CD1-CG 3.69Å; F28-F162 HydrophobicContact CD1-CZ 4.36Å; F28-F162 HydrophobicContact CD2-CB 3.97Å; F28-F162 AromaticContact CD2-CD2 3.8Å; F28-F162 HydrophobicContact CD2-CD2 3.8Å; F28-F162 HydrophobicContact CD2-CG 4.03Å; F28-F162 HydrophobicContact CE1-CB 3.84Å; F28-F162 AromaticContact CE1-CD1 3.99Å; F28-F162 HydrophobicContact CE1-CD1 3.99Å; F28-F162 HydrophobicContact CE1-CD2 4.41Å; F28-F162 AromaticContact CE1-CG 3.84Å; F28-F162 HydrophobicContact CE1-CG 3.84Å; F28-F162 HydrophobicContact CE2-CB 3.65Å; F28-F162 HydrophobicContact CE2-CD2 4.37Å; F28-F162 HydrophobicContact CE2-CG 4.17Å; F28-F162 HydrophobicContact CG-CB 4.2Å; F28-F162 HydrophobicContact CG-CD1 4.39Å; F28-F162 AromaticContact CG-CD2 3.5Å; F28-F162 HydrophobicContact CG-CD2 3.5Å; F28-F162 AromaticContact CG-CE2 3.91Å; F28-F162 HydrophobicContact CG-CE2 3.91Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.49Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CG 4.08Å; F59-F162 HydrophobicContact CE1-CB 4.28Å; I61-F162 HydrophobicContact CD1-CD1 4.38Å; I61-F162 HydrophobicContact CD1-CE1 4.08Å; I61-F162 HydrophobicContact CG2-CE1 4.39Å; L86-F162 HydrophobicContact CD1-CE1 4.24Å; L86-F162 HydrophobicContact CD2-CD1 4.4Å; L86-F162 HydrophobicContact CD2-CE1 4.22Å; L86-F162 HydrophobicContact CD2-CZ 4.32Å; V158-F162 HydrophobicContact CG1-CD2 4.49Å; V158-F162 HydrophobicContact CG1-CE2 4.28Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.05Å; R159-F162 PolarHBondContact O-N 3.49Å; D160-F162 PolarHBondContact O-N 3.36Å; F162-V166 PolarHBondContact O-N 3.37Å; F162-V166 VanDerWaalsContact O-N 3.11Å
163V97.9Very high96.1Very high7 Ų752.3 Ų52.34%0.04226%0.26CS..Hα-helixtrans-68.2-42.8-178.7174.90000111.2M50 V52 R159 D160 V166 R167M50-V163 HydrophobicContact CE-CG2 3.94Å; M50-V163 HydrophobicContact SD-CG2 4.15Å; V52-V163 HydrophobicContact CG1-CG1 3.86Å; V52-V163 HydrophobicContact CG2-CG1 4.36Å; V52-V163 HydrophobicContact CG2-CG2 4.48Å; R159-V163 HydrophobicContact CG-CG2 4.12Å; R159-V163 WeakPolarHBondContact O-CG2 3.33Å; R159-V163 PolarHBondContact O-N 3.02Å; D160-V163 PolarHBondContact O-N 3.33Å; V163-V166 PolarHBondContact O-N 2.84Å; V163-R167 HydrophobicContact CG1-CG 4.43Å; V163-R167 VanDerWaalsContact CG1-CZ 3.44Å; V163-R167 WeakPolarHBondContact O-CG 3.21Å; V163-R167 PolarHBondContact O-N 3.1Å
164E97.7Very high95.3Very high65 Ų6552.3 Ų52.330%0.30426%0.261SS..Hα-helixtrans-65.1-41.5179.3-176.460.7-164.700111.6M118 D160 V166 R167 K168M118-E164 HydrophobicContact CE-CB 4.3Å; M118-E164 HydrophobicContact CE-CG 4.42Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.74Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 2.73Å; E164-R167 PolarHBondContact O-N 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.3Å; E164-K168 PolarHBondContact O-N 2.9Å; E164-K168 WeakPolarHBondContact OE1-CE 2.82Å; E164-K168 IonicContact OE1-NZ 2.79Å
165L97.6Very high94.7Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-60.4-43.8174.5-177.358.9000111.2L11 L86 L116 M118 A161 K168 I169L11-L165 HydrophobicContact CD2-CD2 3.89Å; L11-L165 HydrophobicContact CD2-CG 4.35Å; L86-L165 HydrophobicContact CD1-CD2 3.6Å; L86-L165 HydrophobicContact CG-CD2 3.79Å; L116-L165 HydrophobicContact CB-CD1 3.84Å; M118-L165 HydrophobicContact CB-CD1 4.38Å; M118-L165 HydrophobicContact CE-CB 4Å; A161-L165 WeakPolarHBondContact O-CB 3.24Å; A161-L165 PolarHBondContact O-N 2.93Å; L165-K168 PolarHBondContact O-N 3.36Å; L165-I169 HydrophobicContact CG-CD1 4.15Å; L165-I169 WeakPolarHBondContact O-CG1 3.29Å; L165-I169 PolarHBondContact O-N 3.42Å
166V96.5Very high93.8Very high0 Ų049.7 Ų49.70%024%0.24CC..Hα-helixtrans-62.9-44.1175.5158.90000112.1I9 L11 V52 I57 F59 F162 V163 E164 K168 I169 L170I9-V166 HydrophobicContact CD1-CB 4.17Å; I9-V166 HydrophobicContact CD1-CG1 3.62Å; I9-V166 HydrophobicContact CD1-CG2 3.83Å; I9-V166 HydrophobicContact CG2-CG2 4.26Å; L11-V166 HydrophobicContact CD1-CG2 4.44Å; V52-V166 HydrophobicContact CG1-CG1 4.35Å; V52-V166 HydrophobicContact CG2-CG1 4.36Å; I57-V166 HydrophobicContact CG1-CG1 4.23Å; I57-V166 HydrophobicContact CG2-CG1 4.14Å; F59-V166 HydrophobicContact CD1-CG2 3.95Å; F59-V166 HydrophobicContact CE1-CB 4.23Å; F59-V166 HydrophobicContact CE1-CG2 3.31Å; F59-V166 HydrophobicContact CZ-CB 4.34Å; F59-V166 HydrophobicContact CZ-CG1 4.47Å; F59-V166 HydrophobicContact CZ-CG2 3.79Å; F162-V166 PolarHBondContact O-N 3.37Å; F162-V166 VanDerWaalsContact O-N 3.11Å; V163-V166 PolarHBondContact O-N 2.84Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 2.73Å; V166-K168 VanDerWaalsContact C-N 3.26Å; V166-K168 PolarHBondContact O-N 2.66Å; V166-I169 WeakPolarHBondContact O-CB 3.47Å; V166-I169 PolarHBondContact O-N 3.1Å; V166-I169 VanDerWaalsContact O-N 3.11Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CG 3Å; V166-L170 PolarHBondContact O-N 2.64Å
167R96.6Very high92.8Very high74 Ų7448.1 Ų48.128%0.27924%0.239SC..Hα-helixtrans-56.7-42.2176.2-77.3-179.9178.2129.82.5111.8V52 D53 V163 E164 L170 Q171V52-R167 HydrophobicContact CG1-CG 4Å; D53-R167 IonicContact OD1-CZ 2.7Å; D53-R167 IonicContact OD1-NE 3.79Å; D53-R167 PolarHBondContact OD1-NE 3.06Å; D53-R167 IonicContact OD1-NH2 3.04Å; D53-R167 PolarHBondContact OD1-NH2 3.43Å; D53-R167 WeakPolarHBondContact OD2-CD 3.29Å; D53-R167 WeakPolarHBondContact OD2-CG 3.35Å; D53-R167 IonicContact OD2-CZ 2.76Å; D53-R167 IonicContact OD2-NE 4Å; D53-R167 PolarHBondContact OD2-NE 3.25Å; D53-R167 IonicContact OD2-NH2 2.6Å; V163-R167 HydrophobicContact CG1-CG 4.43Å; V163-R167 VanDerWaalsContact CG1-CZ 3.44Å; V163-R167 WeakPolarHBondContact O-CG 3.21Å; V163-R167 PolarHBondContact O-N 3.1Å; E164-R167 PolarHBondContact O-N 3.28Å; R167-L170 PolarHBondContact O-N 3.27Å; R167-Q171 VanDerWaalsContact O-CG 3.27Å; R167-Q171 WeakPolarHBondContact O-CG 3.5Å; R167-Q171 PolarHBondContact O-N 3.4Å; R167-Q171 VanDerWaalsContact O-N 3.1Å
168K95.6Very high91.8Very high79 Ų7948.1 Ų48.134%0.34324%0.244SC..Hα-helixtrans-66.1-38.5176.9-66.3-67.1-177.7-1630112.5I146 E164 L165 V166 Q171 D172I146-K168 HydrophobicContact CD1-CB 4.35Å; I146-K168 HydrophobicContact CD1-CD 4.46Å; I146-K168 HydrophobicContact CD1-CG 3.71Å; E164-K168 WeakPolarHBondContact O-CG 3.3Å; E164-K168 PolarHBondContact O-N 2.9Å; E164-K168 WeakPolarHBondContact OE1-CE 2.82Å; E164-K168 IonicContact OE1-NZ 2.79Å; L165-K168 PolarHBondContact O-N 3.36Å; V166-K168 VanDerWaalsContact C-N 3.26Å; V166-K168 PolarHBondContact O-N 2.66Å; K168-Q171 PolarHBondContact O-N 3.32Å; K168-D172 PolarHBondContact O-N 3.16Å
169I94.8Very high90.3Very high2 Ų250.5 Ų50.51%0.0126%0.258CS..Hα-helixtrans-63.2-43.1173.1-67.7162.9000110.7I9 L11 H83 L116 L165 V166 Q171 D172 F175I9-I169 HydrophobicContact CD1-CG2 4.2Å; I9-I169 HydrophobicContact CG2-CD1 3.82Å; I9-I169 HydrophobicContact CG2-CG2 4.49Å; L11-I169 HydrophobicContact CD2-CD1 3.8Å; H83-I169 HydrophobicContact CB-CD1 3.98Å; H83-I169 HydrophobicContact CB-CG1 4.43Å; H83-I169 HydrophobicContact CB-CG2 3.99Å; L116-I169 HydrophobicContact CB-CG1 3.94Å; L116-I169 HydrophobicContact CD2-CG1 4.25Å; L116-I169 HydrophobicContact CG-CG1 3.96Å; L165-I169 HydrophobicContact CG-CD1 4.15Å; L165-I169 WeakPolarHBondContact O-CG1 3.29Å; L165-I169 PolarHBondContact O-N 3.42Å; V166-I169 WeakPolarHBondContact O-CB 3.47Å; V166-I169 PolarHBondContact O-N 3.1Å; V166-I169 VanDerWaalsContact O-N 3.11Å; I169-Q171 PolarHBondContact O-N 3.45Å; I169-D172 WeakPolarHBondContact O-CB 3.21Å; I169-D172 PolarHBondContact O-N 3.21Å; I169-D172 VanDerWaalsContact O-N 3.08Å; I169-F175 HydrophobicContact CG2-CB 4.43Å; I169-F175 HydrophobicContact CG2-CD1 4.03Å; I169-F175 HydrophobicContact CG2-CD2 3.77Å; I169-F175 HydrophobicContact CG2-CE1 4.29Å; I169-F175 HydrophobicContact CG2-CE2 4.02Å; I169-F175 HydrophobicContact CG2-CG 3.77Å; I169-F175 HydrophobicContact CG2-CZ 4.27Å
170L93.6Very high88.4Confident14 Ų1449.5 Ų49.57%0.07327%0.266CS..Hα-helixtrans-68.3-15.9178.2-66.9173.8000113.7I7 I9 I57 V166 R167 F175I7-L170 HydrophobicContact CD1-CD2 4.18Å; I7-L170 HydrophobicContact CG2-CD2 4.1Å; I9-L170 HydrophobicContact CD1-CD2 4.24Å; I9-L170 HydrophobicContact CD1-CG 4.35Å; I57-L170 HydrophobicContact CD1-CD1 3.92Å; I57-L170 HydrophobicContact CD1-CD2 4.24Å; I57-L170 HydrophobicContact CG1-CD1 4.48Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CG 3Å; V166-L170 PolarHBondContact O-N 2.64Å; R167-L170 PolarHBondContact O-N 3.27Å; L170-F175 HydrophobicContact CD2-CD1 4.25Å; L170-F175 HydrophobicContact CD2-CE1 3.73Å
171Q92.5Very high86.1Confident124 Ų12450.3 Ų50.358%0.57928%0.275SS*.THydrogen-bonded Turntrans-90.1-11.1174.1-72167.6700112.6R167 K168 I169 P173R167-Q171 VanDerWaalsContact O-CG 3.27Å; R167-Q171 WeakPolarHBondContact O-CG 3.5Å; R167-Q171 PolarHBondContact O-N 3.4Å; R167-Q171 VanDerWaalsContact O-N 3.1Å; K168-Q171 PolarHBondContact O-N 3.32Å; I169-Q171 PolarHBondContact O-N 3.45Å; Q171-P173 VanDerWaalsContact O-CD 3.27Å; Q171-P173 WeakPolarHBondContact O-CD 3.08Å
172D89.5Confident83.7Confident33 Ų3355.3 Ų55.318%0.17631%0.305CS..  trans-73.2115174.5-172.9-22.9000109.5K168 I169 E174 F175 L176K168-D172 PolarHBondContact O-N 3.16Å; I169-D172 WeakPolarHBondContact O-CB 3.21Å; I169-D172 PolarHBondContact O-N 3.21Å; I169-D172 VanDerWaalsContact O-N 3.08Å; D172-E174 PolarHBondContact O-N 2.91Å; D172-E174 VanDerWaalsContact O-N 3.12Å; D172-E174 PolarHBondContact OD1-N 3.1Å; D172-F175 HydrophobicContact CB-CB 4.13Å; D172-F175 WeakPolarHBondContact O-CB 3.49Å; D172-F175 PolarHBondContact O-N 3.43Å; D172-F175 VanDerWaalsContact O-N 3.15Å; D172-L176 PolarHBondContact O-N 2.71Å
173P83.7Confident80.9Confident98 Ų9859.1 Ų59.164%0.63633%0.333SS*.Hα-helixtrans-56.3-30.5-178.2-25.335.5000113.9Q171 L176 S177Q171-P173 VanDerWaalsContact O-CD 3.27Å; Q171-P173 WeakPolarHBondContact O-CD 3.08Å; P173-L176 PolarHBondContact O-N 3.26Å; P173-S177 PolarHBondContact O-N 2.63Å
174E81.3Confident77.6Confident95 Ų9566.9 Ų66.944%0.44437%0.368SS..Hα-helixtrans-83-24.9-177.2-72.6-172.2-131.900113.5R114 D172 L176 S177 S178R114-E174 IonicContact CZ-OE1 3.15Å; R114-E174 IonicContact CZ-OE2 3.77Å; R114-E174 IonicContact NE-OE2 3.8Å; R114-E174 PolarHBondContact NE-OE2 2.7Å; R114-E174 VanDerWaalsContact NE-OE2 3.15Å; R114-E174 IonicContact NH1-OE1 3.63Å; R114-E174 PolarHBondContact NH1-OE1 3.47Å; R114-E174 IonicContact NH1-OE2 2.87Å; R114-E174 PolarHBondContact NH1-OE2 3.31Å; R114-E174 IonicContact NH2-OE1 2.82Å; R114-E174 PolarHBondContact NH2-OE1 3.46Å; R114-E174 IonicContact NH2-OE2 3.46Å; R114-E174 PolarHBondContact NH2-OE2 3.39Å; D172-E174 PolarHBondContact O-N 2.91Å; D172-E174 VanDerWaalsContact O-N 3.12Å; D172-E174 PolarHBondContact OD1-N 3.1Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-S177 WeakPolarHBondContact CA-OG 3.46Å; E174-S177 PolarHBondContact O-OG 2.85Å; E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 VanDerWaalsContact O-N 3.13Å; E174-S178 PolarHBondContact O-OG 2.9Å; E174-S178 VanDerWaalsContact O-OG 3.07Å
175F85.4Confident74.4Confident12 Ų1269 Ų695%0.05339%0.387CS..Hα-helixtrans-63.1-42.2166.1179.4-97.4000110.5I7 I9 H83 I169 L170 D172 S178 T179I7-F175 HydrophobicContact CG2-CE1 3.66Å; I7-F175 HydrophobicContact CG2-CZ 3.63Å; I9-F175 HydrophobicContact CD1-CZ 4.35Å; I9-F175 HydrophobicContact CG1-CE2 4.39Å; I9-F175 HydrophobicContact CG1-CZ 3.82Å; H83-F175 AromaticContact CD2-CD2 3.52Å; H83-F175 AromaticContact CD2-CE2 3.45Å; H83-F175 VanDerWaalsContact CD2-CE2 3.45Å; H83-F175 WeakPolarHBondContact CD2-CE2 3.43Å; H83-F175 AromaticContact CG-CE2 3.93Å; H83-F175 AromaticContact NE2-CE2 3.64Å; I169-F175 HydrophobicContact CG2-CB 4.43Å; I169-F175 HydrophobicContact CG2-CD1 4.03Å; I169-F175 HydrophobicContact CG2-CD2 3.77Å; I169-F175 HydrophobicContact CG2-CE1 4.29Å; I169-F175 HydrophobicContact CG2-CE2 4.02Å; I169-F175 HydrophobicContact CG2-CG 3.77Å; I169-F175 HydrophobicContact CG2-CZ 4.27Å; L170-F175 HydrophobicContact CD2-CD1 4.25Å; L170-F175 HydrophobicContact CD2-CE1 3.73Å; D172-F175 HydrophobicContact CB-CB 4.13Å; D172-F175 WeakPolarHBondContact O-CB 3.49Å; D172-F175 PolarHBondContact O-N 3.43Å; D172-F175 VanDerWaalsContact O-N 3.15Å; F175-S178 PolarHBondContact O-OG 2.96Å; F175-T179 HydrophobicContact CE1-CG2 3.93Å; F175-T179 HydrophobicContact CE2-CG2 4.23Å; F175-T179 HydrophobicContact CZ-CG2 3.78Å; F175-T179 PolarHBondContact O-N 2.81Å; F175-T179 VanDerWaalsContact O-N 3.17Å; F175-T179 PolarHBondContact O-OG1 3.46Å
176L79.8Confident71.3Confident60 Ų6074.8 Ų74.831%0.31443%0.425SS..Hα-helixtrans-68.1-37.1178-62178.1000112.7D172 P173 E174 T179 T180D172-L176 PolarHBondContact O-N 2.71Å; P173-L176 PolarHBondContact O-N 3.26Å; E174-L176 VanDerWaalsContact C-N 3.3Å; L176-T179 WeakPolarHBondContact CA-OG1 3.16Å; L176-T179 PolarHBondContact O-OG1 3.43Å; L176-T180 PolarHBondContact O-N 3.05Å; L176-T180 PolarHBondContact O-OG1 3.35Å
177S77.8Confident68.2Low64 Ų6483.9 Ų83.945%0.44847%0.468SS..Hα-helixtrans-68.2-38.7177.564.90000112.6P173 E174 T181P173-S177 PolarHBondContact O-N 2.63Å; E174-S177 WeakPolarHBondContact CA-OG 3.46Å; E174-S177 PolarHBondContact O-OG 2.85Å; S177-T181 PolarHBondContact O-N 3.37Å; S177-T181 PolarHBondContact O-OG1 3.14Å
178S75.7Confident65.1Low57 Ų5783.5 Ų83.540%0.39949%0.487SS..Hα-helixtrans-70-36.4178.858.40000113.1E174 F175 T181 T182E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 VanDerWaalsContact O-N 3.13Å; E174-S178 PolarHBondContact O-OG 2.9Å; E174-S178 VanDerWaalsContact O-OG 3.07Å; F175-S178 PolarHBondContact O-OG 2.96Å; S178-T181 PolarHBondContact O-N 2.69Å; S178-T182 PolarHBondContact O-OG1 3.45Å
179T68.2Low62.1Low49 Ų4986.1 Ų86.130%0.30151%0.51SS..Hα-helixtrans-67.5-35176.541.10000112.6I7 F175 L176 T181 T182I7-T179 HydrophobicContact CG2-CG2 4.44Å; F175-T179 HydrophobicContact CE1-CG2 3.93Å; F175-T179 HydrophobicContact CE2-CG2 4.23Å; F175-T179 HydrophobicContact CZ-CG2 3.78Å; F175-T179 PolarHBondContact O-N 2.81Å; F175-T179 VanDerWaalsContact O-N 3.17Å; F175-T179 PolarHBondContact O-OG1 3.46Å; L176-T179 WeakPolarHBondContact CA-OG1 3.16Å; L176-T179 PolarHBondContact O-OG1 3.43Å; T179-T181 VanDerWaalsContact C-N 3.25Å; T179-T181 PolarHBondContact O-N 2.99Å; T179-T182 PolarHBondContact O-N 2.8Å
180T57.8Low59.3Low107 Ų10790.8 Ų90.866%0.65654%0.542SS*.Hα-helixtrans-69.9-22.1177.7-450000112.9L176L176-T180 PolarHBondContact O-N 3.05Å; L176-T180 PolarHBondContact O-OG1 3.35Å
181T48.9Very low56.3Low110 Ų11098.1 Ų98.168%0.67558%0.581SS**Hα-helixtrans-88.2-16.3-176.7-42.30000112.8S177 S178 T179 S183S177-T181 PolarHBondContact O-N 3.37Å; S177-T181 PolarHBondContact O-OG1 3.14Å; S178-T181 PolarHBondContact O-N 2.69Å; T179-T181 VanDerWaalsContact C-N 3.25Å; T179-T181 PolarHBondContact O-N 2.99Å; T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.33Å
182T47.6Very low53.7Low108 Ų108100.2 Ų100.266%0.66359%0.591SS**THydrogen-bonded Turntrans-87.410.3-173.3-37.80000113.4S178 T179 Q184S178-T182 PolarHBondContact O-OG1 3.45Å; T179-T182 PolarHBondContact O-N 2.8Å; T182-Q184 PolarHBondContact O-N 3.39Å
183S40.1Very low51.2Low84 Ų84103.9 Ų103.959%0.58762%0.619SS**THydrogen-bonded Turntrans-76-2.1174.4-390000113.9T181T181-S183 VanDerWaalsContact C-N 3.27Å; T181-S183 PolarHBondContact O-N 3.33Å
184Q29.1Very low48.9Very low169 Ų169105.5 Ų105.579%0.7963%0.627SS**SBendtrans-98.2122.8168.2-76.2-168.4-25.800109.8T182T182-Q184 PolarHBondContact O-N 3.39Å
185P29.6Very low47Very low109 Ų109108.9 Ų108.971%0.70864%0.643SS**PPolyproline II helixtrans-60.9141.6172.524.7-27.8000108.4Q187P185-Q187 PolarHBondContact O-N 2.59Å; P185-Q187 VanDerWaalsContact O-N 3.11Å
186P34Very low44.9Very low122 Ų122114.6 Ų114.679%0.79268%0.681SS**PPolyproline II helixtrans-57.6124.7169.225.2-29.8000106.6G188P186-G188 PolarHBondContact O-N 2.66Å
187Q30.9Very low42.8Very low191 Ų191117.5 Ų117.589%0.89371%0.706SS**  trans-53.6107.3170.4-76-178-7.500106.8P185 V189P185-Q187 PolarHBondContact O-N 2.59Å; P185-Q187 VanDerWaalsContact O-N 3.11Å; Q187-V189 PolarHBondContact O-N 3.24Å; Q187-V189 VanDerWaalsContact O-N 3.15Å
188G32.3Very low41Very low67 Ų67117.4 Ų117.469%0.69172%0.715SS**  trans-56.5121.6177.500000107.7P186 S190P186-G188 PolarHBondContact O-N 2.66Å; G188-S190 VanDerWaalsContact C-N 3.31Å; G188-S190 PolarHBondContact O-N 3.08Å
189V31.2Very low39.4Very low134 Ų134120.2 Ų120.281%0.81274%0.735SS**  trans-65.7100.5165.3-167.50000105.2Q187 L191Q187-V189 PolarHBondContact O-N 3.24Å; Q187-V189 VanDerWaalsContact O-N 3.15Å; V189-L191 PolarHBondContact O-N 3.39Å
190S35.8Very low38.4Very low100 Ų100125.7 Ų125.770%0.69976%0.762SS**  trans-60.7108.2168.6-79.20000107.6G188 E192G188-S190 VanDerWaalsContact C-N 3.31Å; G188-S190 PolarHBondContact O-N 3.08Å; S190-E192 PolarHBondContact O-N 2.87Å
191L31.7Very low38.1Very low168 Ų168126.3 Ų126.388%0.8877%0.765SS**  trans-72.484160.4-75.1160000106.4V189 S193V189-L191 PolarHBondContact O-N 3.39Å; L191-S193 PolarHBondContact O-N 3.16Å
192E37Very low37.8Very low168 Ų168127.2 Ų127.279%0.78577%0.774SS**  trans-62.4107.2162.9-92.5167.5128.100107.7S190 T194S190-E192 PolarHBondContact O-N 2.87Å; E192-T194 VanDerWaalsContact C-N 3.29Å; E192-T194 PolarHBondContact O-N 3.06Å
193S36.7Very low38.3Very low110 Ų110127.6 Ų127.677%0.76978%0.779SS**  trans-61.893.5164.754.10000108.3L191 Q195L191-S193 PolarHBondContact O-N 3.16Å; S193-Q195 PolarHBondContact O-N 3.26Å
194T37.1Very low38.8Very low132 Ų132133.5 Ų133.581%0.8182%0.818SS**  trans-65.6103.2166.3-36.60000107.4E192E192-T194 VanDerWaalsContact C-N 3.29Å; E192-T194 PolarHBondContact O-N 3.06Å
195Q41.5Very low39.2Very low166 Ų166131.7 Ų131.778%0.77682%0.819SS**  trans-59.3128.3164.5-75.7-179.1-35.300108.3S193 S197S193-Q195 PolarHBondContact O-N 3.26Å; Q195-S197 PolarHBondContact O-N 2.72Å; Q195-S197 VanDerWaalsContact O-N 3.1Å
196P39.3Very low39.7Very low131 Ų131132.9 Ų132.985%0.85183%0.825SS**  trans-79.593.9168.629.6-26.9000108.5G198P196-G198 VanDerWaalsContact C-N 3.33Å; P196-G198 PolarHBondContact O-N 3.47Å
197S36.4Very low40.1Very low122 Ų122133.5 Ų133.585%0.85383%0.827SS**  trans-79.985.7158.444.70000108.5Q195Q195-S197 PolarHBondContact O-N 2.72Å; Q195-S197 VanDerWaalsContact O-N 3.1Å
198G39.4Very low40.6Very low61 Ų61130.1 Ų130.163%0.62982%0.823SS**  trans-137.885.2177.300000110.9P196 L200P196-G198 VanDerWaalsContact C-N 3.33Å; P196-G198 PolarHBondContact O-N 3.47Å; G198-L200 PolarHBondContact O-N 3.46Å; G198-L200 VanDerWaalsContact O-N 3.08Å
199S43.4Very low41.1Very low117 Ų117134.1 Ų134.182%0.81883%0.831SS**  trans-63.5100.4163.953.50000109.2T201S199-T201 PolarHBondContact O-N 3.48Å
200L46.7Very low41.8Very low164 Ų164134.1 Ų134.186%0.85983%0.833SS**  trans-88.493.8166.9-83.4155.1000108.5G198 C202G198-L200 PolarHBondContact O-N 3.46Å; G198-L200 VanDerWaalsContact O-N 3.08Å; L200-C202 PolarHBondContact O-N 3.5Å
201T51.5Low42.2Very low120 Ų120136.5 Ų136.574%0.73684%0.842SS**  trans-64.5119151.146.70000107.9S199 P203S199-T201 PolarHBondContact O-N 3.48Å; T201-P203 WeakPolarHBondContact O-CD 3.38Å
202C42.7Very low43Very low128 Ų128134.1 Ų134.187%0.86584%0.839SS**  trans-84.5127.1162.4-82.40000109.3L200L200-C202 PolarHBondContact O-N 3.5Å
203P58.4Low43.5Very low117 Ų117131.3 Ų131.376%0.7684%0.844SS**  trans-130.5104.4152.532.7-15.9000111T201T201-P203 WeakPolarHBondContact O-CD 3.38Å
204C49.4Very low44.2Very low207 Ų207133.2 Ų133.2100%1.39985%0.85SS**  trans-168.20139.232.80000110.2

Retrieved 204 of 204 residues in 285.7 ms (Link to these results)

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