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Mitotic centromere-associated kinesin

In complex with KIF18B, constitutes the major microtubule plus-end depolymerizing activity in mitotic cells. Regulates the turnover of microtubules at the kinetochore and functions in chromosome segregation during mitosis. Plays a role in chromosome congression and is required for the lateral to end-on conversion of the chromosome-microtubule attachment.

AlphaFold DB , UniProt , Accession Q99PT6, Species MOUSE (Mus musculus, Mouse), Gene KIF2C, Length 155 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
1K91.1Very high91.2Very high188 Ų18888.5 Ų88.582%0.81749%0.491SS*.  0139.40-67.1176.7-179.4173.70107.2K147K1-K147 CarbonylContact C-O 3.1Å; K1-K147 WeakPolarHBondContact CA-O 3.28Å
2A97.1Very high90.8Very high47 Ų4786.3 Ų86.339%0.38849%0.485SS..EExtended strand (participates in β ladder)trans-134.5153.6176.900000110.3K147 F148 S149A2-K147 PolarHBondContact N-O 3.28Å; A2-F148 HydrophobicContact CB-CD2 3.68Å; A2-F148 HydrophobicContact CB-CE2 3.92Å; A2-F148 HydrophobicContact CB-CG 4.18Å; A2-F148 WeakPolarHBondContact O-CA 3.45Å; A2-S149 PolarHBondContact O-N 3.2Å
3T97.3Very high90.5Very high73 Ų7381.8 Ų81.845%0.44847%0.47SS..EExtended strand (participates in β ladder)trans-145.5133.9175-59.20000110.1F5 S149 V151T3-F5 HydrophobicContact CG2-CD2 4.05Å; T3-F5 HydrophobicContact CG2-CE1 4.06Å; T3-F5 HydrophobicContact CG2-CE2 3.43Å; T3-F5 VanDerWaalsContact CG2-CE2 3.43Å; T3-F5 HydrophobicContact CG2-CZ 3.44Å; T3-F5 VanDerWaalsContact CG2-CZ 3.44Å; T3-S149 CarbonylContact C-O 3.58Å; T3-S149 VanDerWaalsContact CA-O 3.22Å; T3-S149 WeakPolarHBondContact CA-O 3.32Å; T3-V151 HydrophobicContact CG2-CG2 3.97Å
4C97.1Very high90.5Very high48 Ų4877.6 Ų77.632%0.32444%0.444SS..EExtended strand (participates in β ladder)trans-118.8134175.2-177.50000108.9F148 S149 L150 V151C4-F148 HydrophobicContact CB-CE2 3.98Å; C4-F148 HydrophobicContact CB-CZ 4.32Å; C4-S149 PolarHBondContact N-O 3.46Å; C4-L150 HydrophobicContact CB-CD2 3.75Å; C4-V151 PolarHBondContact O-N 2.68Å
5F96.3Very high90.3Very high125 Ų12574.7 Ų74.755%0.54843%0.428SS..EExtended strand (participates in β ladder)trans-114.7133.4179.9-63.6-87.2000110.2T3 V151 L153T3-F5 HydrophobicContact CG2-CD2 4.05Å; T3-F5 HydrophobicContact CG2-CE1 4.06Å; T3-F5 HydrophobicContact CG2-CE2 3.43Å; T3-F5 VanDerWaalsContact CG2-CE2 3.43Å; T3-F5 HydrophobicContact CG2-CZ 3.44Å; T3-F5 VanDerWaalsContact CG2-CZ 3.44Å; F5-V151 WeakPolarHBondContact CA-O 3.22Å; F5-V151 HydrophobicContact CD1-CB 3.61Å; F5-V151 HydrophobicContact CD1-CG1 3.82Å; F5-V151 HydrophobicContact CD1-CG2 4.1Å; F5-V151 HydrophobicContact CE1-CB 3.93Å; F5-V151 HydrophobicContact CE1-CG1 4.02Å; F5-V151 HydrophobicContact CE1-CG2 3.93Å; F5-V151 HydrophobicContact CG-CB 4.45Å; F5-L153 HydrophobicContact CB-CD1 4.43Å; F5-L153 HydrophobicContact CD1-CD1 4.04Å; F5-L153 HydrophobicContact CD1-CD2 4.39Å; F5-L153 HydrophobicContact CD1-CG 4.3Å
6A93.6Very high90Very high14 Ų1475.8 Ų75.812%0.11643%0.428CS..EExtended strand (participates in β ladder)trans-94.9113.6159.900000108.4K14 M18 V151 L153A6-K14 HydrophobicContact CB-CB 4.04Å; A6-K14 HydrophobicContact CB-CG 4.32Å; A6-M18 HydrophobicContact CB-CE 4.5Å; A6-M18 HydrophobicContact CB-CG 3.51Å; A6-M18 HydrophobicContact CB-SD 4.01Å; A6-V151 PolarHBondContact N-O 2.81Å; A6-L153 WeakPolarHBondContact O-CB 3.49Å; A6-L153 PolarHBondContact O-N 3.25Å
7Y92.3Very high90.1Very high168 Ų16875.6 Ų75.666%0.65943%0.429SS*.  trans-125.5148.1-179.9179.3-102.9000110.7L153Y7-L153 HydrophobicContact CD2-CD1 3.95Å
8G88.6Confident90.2Very high18 Ų1871.5 Ų71.519%0.18641%0.406CS..  trans151.5167.7-175.800000112.2K14G8-K14 WeakPolarHBondContact O-CE 3.35Å; G8-K14 PolarHBondContact O-NZ 2.8Å
9Q86.8Confident89.9Confident143 Ų14367.9 Ų67.967%0.66839%0.386SS*.SBendtrans-60.9161.2-179.466.6179.651.900113.4G11 S12 K14Q9-G11 PolarHBondContact O-N 3Å; Q9-S12 VanDerWaalsContact O-CB 3.27Å; Q9-S12 WeakPolarHBondContact O-CB 3.35Å; Q9-S12 PolarHBondContact O-N 3.01Å; Q9-S12 VanDerWaalsContact O-N 3.16Å; Q9-S12 PolarHBondContact O-OG 2.86Å; Q9-K14 PolarHBondContact O-NZ 2.78Å
10T82.9Confident89.7Confident73 Ų7364.6 Ų64.645%0.44837%0.367SS..THydrogen-bonded Turntrans-52.8136169.5-69.70000110.6S12 S128T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 3.2Å; T10-S128 WeakPolarHBondContact CG2-OG 3.46Å; T10-S128 WeakPolarHBondContact OG1-CB 3.42Å; T10-S128 PolarHBondContact OG1-OG 3.03Å
11G80.3Confident89Confident77 Ų7763.8 Ų63.879%0.79436%0.362SS*.THydrogen-bonded Turntrans81.1-3.4-179.100000115.7Q9 G13Q9-G11 PolarHBondContact O-N 3Å; G11-G13 PolarHBondContact O-N 2.91Å; G11-G13 VanDerWaalsContact O-N 3.09Å
12S86.4Confident87.7Confident61 Ų6158.6 Ų58.643%0.42734%0.343SS..SBendtrans-74.87.9-179.376.80000115.5Q9 T10Q9-S12 VanDerWaalsContact O-CB 3.27Å; Q9-S12 WeakPolarHBondContact O-CB 3.35Å; Q9-S12 PolarHBondContact O-N 3.01Å; Q9-S12 VanDerWaalsContact O-N 3.16Å; Q9-S12 PolarHBondContact O-OG 2.86Å; T10-S12 VanDerWaalsContact C-N 3.3Å; T10-S12 PolarHBondContact O-N 3.2Å
13G86.9Confident85.6Confident28 Ų2860 Ų6029%0.28935%0.35SS..SBendtrans83.116.7177.200000116.8G11 H16 T17G11-G13 PolarHBondContact O-N 2.91Å; G11-G13 VanDerWaalsContact O-N 3.09Å; G13-H16 WeakPolarHBondContact O-CB 3.44Å; G13-H16 PolarHBondContact O-N 2.9Å; G13-T17 WeakPolarHBondContact O-CB 3.37Å; G13-T17 PolarHBondContact O-N 2.97Å; G13-T17 PolarHBondContact O-OG1 3.38Å
14K90.4Very high83.5Confident23 Ų2359.6 Ų59.610%0.136%0.36CS..Hα-helixtrans-55.4-58.9178.8-62.6-178.3-65.3-69.20113.1A6 G8 Q9 H16 T17 M18 D152 L153A6-K14 HydrophobicContact CB-CB 4.04Å; A6-K14 HydrophobicContact CB-CG 4.32Å; G8-K14 WeakPolarHBondContact O-CE 3.35Å; G8-K14 PolarHBondContact O-NZ 2.8Å; Q9-K14 PolarHBondContact O-NZ 2.78Å; K14-H16 VanDerWaalsContact C-N 3.26Å; K14-H16 PolarHBondContact O-N 2.94Å; K14-T17 PolarHBondContact O-N 3.27Å; K14-T17 VanDerWaalsContact O-N 3.09Å; K14-M18 WeakPolarHBondContact O-CG 3.25Å; K14-M18 PolarHBondContact O-N 3.28Å; K14-D152 WeakPolarHBondContact CB-OD1 3.47Å; K14-L153 WeakPolarHBondContact CD-O 3.11Å; K14-L153 WeakPolarHBondContact CE-O 3.28Å
15T86.4Confident81.2Confident35 Ų3568.1 Ų68.122%0.21539%0.392CS..Hα-helixtrans-63.7-33.8180-47.10000111.9G19 L22 D152T15-G19 WeakPolarHBondContact O-CA 3.38Å; T15-G19 PolarHBondContact O-N 3.42Å; T15-L22 HydrophobicContact CG2-CD1 3.91Å; T15-D152 PolarHBondContact N-OD1 3.34Å; T15-D152 PolarHBondContact OG1-OD1 3.45Å; T15-D152 PolarHBondContact OG1-OD2 3.14Å
16H86.1Confident79.2Confident91 Ų9166.7 Ų66.742%0.42140%0.397SS..Hα-helixtrans-63-43.5173.4178-80.7000111.4G13 K14 G20 D21G13-H16 WeakPolarHBondContact O-CB 3.44Å; G13-H16 PolarHBondContact O-N 2.9Å; K14-H16 VanDerWaalsContact C-N 3.26Å; K14-H16 PolarHBondContact O-N 2.94Å; H16-G20 CarbonylContact O-C 3.55Å; H16-G20 VanDerWaalsContact O-C 3.29Å; H16-G20 WeakPolarHBondContact O-CA 3.48Å; H16-G20 PolarHBondContact O-N 3.12Å; H16-D21 IonicContact CD2-OD1 3.63Å; H16-D21 IonicContact NE2-OD1 2.88Å
17T91.1Very high77.8Confident73 Ų7370.6 Ų70.645%0.44841%0.413SS..Hα-helixtrans-68.1-45.4178.4-540000111.3G13 K14 I33G13-T17 WeakPolarHBondContact O-CB 3.37Å; G13-T17 PolarHBondContact O-N 2.97Å; G13-T17 PolarHBondContact O-OG1 3.38Å; K14-T17 PolarHBondContact O-N 3.27Å; K14-T17 VanDerWaalsContact O-N 3.09Å; T17-I33 HydrophobicContact CG2-CD1 3.73Å; T17-I33 HydrophobicContact CG2-CG1 4.32Å; T17-I33 WeakPolarHBondContact O-CG1 3.27Å; T17-I33 PolarHBondContact O-N 2.93Å; T17-I33 VanDerWaalsContact O-N 3.1Å
18M91.9Very high76.8Confident2 Ų265.1 Ų65.11%0.0140%0.395CS..Hα-helixtrans-72.1-49.3-177.4-68.5-63.5-93.300112.7A6 K14 G32 I33 Y34 L150 V151 D152A6-M18 HydrophobicContact CB-CE 4.5Å; A6-M18 HydrophobicContact CB-CG 3.51Å; A6-M18 HydrophobicContact CB-SD 4.01Å; K14-M18 WeakPolarHBondContact O-CG 3.25Å; K14-M18 PolarHBondContact O-N 3.28Å; M18-G32 CarbonylContact O-C 3.56Å; M18-I33 PolarHBondContact O-N 2.96Å; M18-I33 VanDerWaalsContact O-N 3.09Å; M18-I33 HydrophobicContact SD-CB 4.17Å; M18-I33 HydrophobicContact SD-CD1 3.9Å; M18-I33 HydrophobicContact SD-CG2 4.27Å; M18-Y34 HydrophobicContact CB-CE1 4.04Å; M18-Y34 HydrophobicContact CB-CE2 4.19Å; M18-Y34 HydrophobicContact CE-CE1 3.75Å; M18-Y34 WeakPolarHBondContact O-CD2 3.48Å; M18-Y34 VanDerWaalsContact O-CG 3.31Å; M18-Y34 PolarHBondContact O-N 2.79Å; M18-Y34 VanDerWaalsContact O-N 3.1Å; M18-Y34 HydrophobicContact SD-CE1 4.48Å; M18-L150 VanDerWaalsContact CE-C 3.48Å; M18-L150 HydrophobicContact CE-CB 3.78Å; M18-V151 VanDerWaalsContact CE-N 3.28Å; M18-D152 HydrophobicContact CB-CB 4.29Å; M18-D152 HydrophobicContact CG-CB 4.16Å
19G86.1Confident76.1Confident3 Ų364.5 Ų64.53%0.03139%0.388CS..Hα-helixtrans-90.6-19.5-174.900000115T15 R113T15-G19 WeakPolarHBondContact O-CA 3.38Å; T15-G19 PolarHBondContact O-N 3.42Å; G19-R113 PolarHBondContact O-NH1 3.09Å
20G85.3Confident75.6Confident1 Ų159.5 Ų59.51%0.0137%0.369CS..  trans94-175.8-171.300000112.6H16 L22 G32H16-G20 CarbonylContact O-C 3.55Å; H16-G20 VanDerWaalsContact O-C 3.29Å; H16-G20 WeakPolarHBondContact O-CA 3.48Å; H16-G20 PolarHBondContact O-N 3.12Å; G20-L22 PolarHBondContact O-N 3.31Å; G20-G32 VanDerWaalsContact N-CA 3.33Å
21D75.5Confident75.6Confident48 Ų4863.1 Ų63.126%0.25738%0.379SS..BIsolated β-bridgetrans-60.7127.8-171.6-164.2-9.4000111.4H16 S23 Q27 N28H16-D21 IonicContact CD2-OD1 3.63Å; H16-D21 IonicContact NE2-OD1 2.88Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.86Å; D21-S23 PolarHBondContact OD1-OG 3.5Å; D21-Q27 PolarHBondContact O-OE1 2.9Å; D21-N28 HydrophobicContact CB-CB 4.19Å; D21-N28 PolarHBondContact N-O 3.37Å; D21-N28 PolarHBondContact O-N 2.85Å
22L62.8Low76.1Confident79 Ų7959.5 Ų59.541%0.41434%0.341SS..  trans-101.9-6-179.7-78.3161.8000112.2T15 G20 Q27T15-L22 HydrophobicContact CG2-CD1 3.91Å; G20-L22 PolarHBondContact O-N 3.31Å; L22-Q27 PolarHBondContact O-NE2 3.18Å
23S52.8Low76.5Confident78 Ų7858.5 Ų58.555%0.54533%0.33SS..SBendtrans-99136.2-169.171.40000112.7D21D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 2.86Å; D21-S23 PolarHBondContact OD1-OG 3.5Å
24G53.5Low76.9Confident64 Ų6457.4 Ų57.466%0.6632%0.318SS*.SBendtrans84.7-176.9173.100000116.5S26G24-S26 PolarHBondContact O-N 3.48Å
25K49.9Very low77.1Confident226 Ų22656.4 Ų56.498%0.98331%0.313SS*.SBendtrans-71-6.2-178.3-68.6-176.5178.8179.50113.9
26S54.4Low77.5Confident95 Ų9558.7 Ų58.766%0.66432%0.323SS*.SBendtrans-127.286.9-179.3-169.60000109.9G24 N28G24-S26 PolarHBondContact O-N 3.48Å; S26-N28 PolarHBondContact O-N 2.88Å; S26-N28 VanDerWaalsContact O-N 3.14Å
27Q63.7Low78Confident97 Ų9755.5 Ų55.545%0.45331%0.309SS..  trans-61.8111.6173-68-74.4-35.500109D21 L22 T29D21-Q27 PolarHBondContact O-OE1 2.9Å; L22-Q27 PolarHBondContact O-NE2 3.18Å; Q27-T29 PolarHBondContact O-N 2.88Å
28N70.5Confident78.2Confident52 Ų5252.2 Ų52.228%0.27829%0.289SS..BIsolated β-bridgetrans-102.579.4-176.4-164.2-6.2000112.3D21 S26 S30 K31D21-N28 HydrophobicContact CB-CB 4.19Å; D21-N28 PolarHBondContact N-O 3.37Å; D21-N28 PolarHBondContact O-N 2.85Å; S26-N28 PolarHBondContact O-N 2.88Å; S26-N28 VanDerWaalsContact O-N 3.14Å; N28-S30 PolarHBondContact O-N 3.25Å; N28-S30 VanDerWaalsContact O-N 3.17Å; N28-S30 VanDerWaalsContact OD1-CB 3.28Å; N28-S30 WeakPolarHBondContact OD1-CB 3.21Å; N28-S30 PolarHBondContact OD1-N 2.97Å; N28-S30 VanDerWaalsContact OD1-N 3.15Å; N28-S30 PolarHBondContact OD1-OG 2.77Å; N28-K31 PolarHBondContact O-N 2.93Å
29T74.4Confident78.4Confident5 Ų557.4 Ų57.43%0.03131%0.309CS..G310 helixtrans-62.6-18.2175-51.30000112.6Q27 K31 G32 T35 I109 N110 R113Q27-T29 PolarHBondContact O-N 2.88Å; T29-K31 PolarHBondContact O-N 3.19Å; T29-G32 PolarHBondContact O-N 3.14Å; T29-T35 VanDerWaalsContact O-CB 3.28Å; T29-T35 WeakPolarHBondContact O-CB 3.31Å; T29-T35 PolarHBondContact O-OG1 3.32Å; T29-I109 HydrophobicContact CG2-CB 4.22Å; T29-I109 HydrophobicContact CG2-CG2 3.54Å; T29-N110 WeakPolarHBondContact CB-OD1 3.48Å; T29-N110 PolarHBondContact OG1-OD1 3.35Å; T29-R113 PolarHBondContact OG1-NH1 3.4Å; T29-R113 VanDerWaalsContact OG1-NH1 3.11Å
30S76.1Confident78.9Confident39 Ų3961.4 Ų61.427%0.27333%0.33SS..G310 helixtrans-67.5-18.3-177.279.40000114.5N28 R39N28-S30 PolarHBondContact O-N 3.25Å; N28-S30 VanDerWaalsContact O-N 3.17Å; N28-S30 VanDerWaalsContact OD1-CB 3.28Å; N28-S30 WeakPolarHBondContact OD1-CB 3.21Å; N28-S30 PolarHBondContact OD1-N 2.97Å; N28-S30 VanDerWaalsContact OD1-N 3.15Å; N28-S30 PolarHBondContact OD1-OG 2.77Å; S30-R39 PolarHBondContact O-NH1 3.15Å
31K82.9Confident79.5Confident149 Ų14962.6 Ų62.665%0.64834%0.337SS*.G310 helixtrans-97.4-0.5178.3-64.6-172.1176.9-1770114.1N28 T29N28-K31 PolarHBondContact O-N 2.93Å; T29-K31 PolarHBondContact O-N 3.19Å
32G91.6Very high80.5Confident0 Ų061.1 Ų61.10%033%0.328CS..SBendtrans-81.3150178.800000113M18 G20 T29 Y34 T35 M36M18-G32 CarbonylContact O-C 3.56Å; G20-G32 VanDerWaalsContact N-CA 3.33Å; T29-G32 PolarHBondContact O-N 3.14Å; G32-Y34 PolarHBondContact O-N 2.9Å; G32-T35 PolarHBondContact O-N 2.91Å; G32-M36 WeakPolarHBondContact O-CG 3.23Å; G32-M36 PolarHBondContact O-N 2.95Å
33I94.9Very high82.2Confident41 Ų4162 Ų6221%0.2133%0.332CS..Hα-helixtrans-53.1-40.2176.3-69.9177.6000111.6T17 M18 T35 M36 V37 L150T17-I33 HydrophobicContact CG2-CD1 3.73Å; T17-I33 HydrophobicContact CG2-CG1 4.32Å; T17-I33 WeakPolarHBondContact O-CG1 3.27Å; T17-I33 PolarHBondContact O-N 2.93Å; T17-I33 VanDerWaalsContact O-N 3.1Å; M18-I33 PolarHBondContact O-N 2.96Å; M18-I33 VanDerWaalsContact O-N 3.09Å; M18-I33 HydrophobicContact SD-CB 4.17Å; M18-I33 HydrophobicContact SD-CD1 3.9Å; M18-I33 HydrophobicContact SD-CG2 4.27Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 2.82Å; I33-M36 HydrophobicContact CG1-CE 4.08Å; I33-M36 PolarHBondContact O-N 2.79Å; I33-V37 HydrophobicContact CG2-CG2 3.85Å; I33-V37 WeakPolarHBondContact O-CB 3.21Å; I33-V37 VanDerWaalsContact O-CG2 3.29Å; I33-V37 WeakPolarHBondContact O-CG2 3.08Å; I33-V37 PolarHBondContact O-N 2.87Å; I33-L150 HydrophobicContact CG2-CD1 4.27Å; I33-L150 HydrophobicContact CG2-CD2 4.18Å
34Y94.4Very high84.2Confident5 Ų562.3 Ų62.32%0.0233%0.328CS..Hα-helixtrans-54.8-45.6177.8-57.5-32.4000112.3M18 G32 S38 F61 I109 F134 L150M18-Y34 HydrophobicContact CB-CE1 4.04Å; M18-Y34 HydrophobicContact CB-CE2 4.19Å; M18-Y34 HydrophobicContact CE-CE1 3.75Å; M18-Y34 WeakPolarHBondContact O-CD2 3.48Å; M18-Y34 VanDerWaalsContact O-CG 3.31Å; M18-Y34 PolarHBondContact O-N 2.79Å; M18-Y34 VanDerWaalsContact O-N 3.1Å; M18-Y34 HydrophobicContact SD-CE1 4.48Å; G32-Y34 PolarHBondContact O-N 2.9Å; Y34-S38 WeakPolarHBondContact O-CB 3.39Å; Y34-S38 PolarHBondContact O-N 3.26Å; Y34-S38 PolarHBondContact O-OG 3.47Å; Y34-F61 HydrophobicContact CE2-CZ 4.12Å; Y34-I109 HydrophobicContact CD2-CG2 4.15Å; Y34-F134 HydrophobicContact CD1-CB 3.89Å; Y34-F134 AromaticContact CD1-CD1 3.88Å; Y34-F134 HydrophobicContact CD1-CD1 3.88Å; Y34-F134 HydrophobicContact CD1-CG 4.15Å; Y34-F134 HydrophobicContact CE1-CB 3.72Å; Y34-F134 HydrophobicContact CE1-CG 4.47Å; Y34-F134 HydrophobicContact CE2-CB 4.49Å; Y34-F134 HydrophobicContact CG-CB 4.35Å; Y34-F134 HydrophobicContact CG-CD1 4.11Å; Y34-F134 HydrophobicContact CG-CG 4.31Å; Y34-L150 HydrophobicContact CD1-CB 3.73Å; Y34-L150 HydrophobicContact CD1-CD1 3.74Å; Y34-L150 HydrophobicContact CD1-CG 4.38Å; Y34-L150 HydrophobicContact CE1-CB 3.55Å; Y34-L150 HydrophobicContact CE1-CD1 4.45Å
35T93.9Very high86.2Confident1 Ų161.3 Ų61.31%0.00631%0.305CS..Hα-helixtrans-74.3-43.2-179.1-55.60000112.1T29 G32 I33 S38 R39 V106T29-T35 VanDerWaalsContact O-CB 3.28Å; T29-T35 WeakPolarHBondContact O-CB 3.31Å; T29-T35 PolarHBondContact O-OG1 3.32Å; G32-T35 PolarHBondContact O-N 2.91Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 2.82Å; T35-S38 PolarHBondContact O-N 3.15Å; T35-R39 WeakPolarHBondContact O-CG 3.28Å; T35-R39 PolarHBondContact O-N 3.11Å; T35-V106 HydrophobicContact CG2-CG2 3.51Å
36M95.4Very high88.3Confident84 Ų8455.6 Ų55.641%0.41429%0.285SS..Hα-helixtrans-60.8-49.4179.8-67.6-171.3-68.200111G32 I33 S38 R39 D40G32-M36 WeakPolarHBondContact O-CG 3.23Å; G32-M36 PolarHBondContact O-N 2.95Å; I33-M36 HydrophobicContact CG1-CE 4.08Å; I33-M36 PolarHBondContact O-N 2.79Å; M36-S38 VanDerWaalsContact C-N 3.29Å; M36-S38 PolarHBondContact O-N 3.21Å; M36-R39 WeakPolarHBondContact O-CB 3.48Å; M36-R39 PolarHBondContact O-N 3.03Å; M36-D40 PolarHBondContact O-N 2.91Å
37V96.6Very high90.3Very high24 Ų2455.2 Ų55.215%0.14527%0.273CS..Hα-helixtrans-60.9-40.1176.7174.70000111.2I33 R39 D40 V41 I136 F148 L150I33-V37 HydrophobicContact CG2-CG2 3.85Å; I33-V37 WeakPolarHBondContact O-CB 3.21Å; I33-V37 VanDerWaalsContact O-CG2 3.29Å; I33-V37 WeakPolarHBondContact O-CG2 3.08Å; I33-V37 PolarHBondContact O-N 2.87Å; V37-R39 PolarHBondContact O-N 2.85Å; V37-D40 PolarHBondContact O-N 2.73Å; V37-V41 HydrophobicContact CG1-CG2 4.3Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.02Å; V37-I136 HydrophobicContact CB-CD1 4.45Å; V37-I136 HydrophobicContact CG1-CD1 3.74Å; V37-F148 HydrophobicContact CG1-CD1 3.72Å; V37-F148 HydrophobicContact CG1-CE1 3.75Å; V37-F148 HydrophobicContact CG2-CE1 4.38Å; V37-L150 HydrophobicContact CB-CD1 4.14Å; V37-L150 HydrophobicContact CG1-CD1 4.27Å; V37-L150 HydrophobicContact CG2-CD1 4.21Å
38S96.1Very high91.7Very high3 Ų355.3 Ų55.32%0.02128%0.284CS..Hα-helixtrans-62.9-42.8178.3-59.60000111.9Y34 T35 M36 V41 F42 V105Y34-S38 WeakPolarHBondContact O-CB 3.39Å; Y34-S38 PolarHBondContact O-N 3.26Å; Y34-S38 PolarHBondContact O-OG 3.47Å; T35-S38 PolarHBondContact O-N 3.15Å; M36-S38 VanDerWaalsContact C-N 3.29Å; M36-S38 PolarHBondContact O-N 3.21Å; S38-V41 PolarHBondContact O-N 2.87Å; S38-F42 VanDerWaalsContact O-CD2 3.22Å; S38-F42 WeakPolarHBondContact O-CD2 3.34Å; S38-F42 PolarHBondContact O-N 2.84Å; S38-V105 WeakPolarHBondContact OG-CG1 3.25Å
39R96.1Very high92.8Very high111 Ų11157 Ų5742%0.41930%0.298SS..Hα-helixtrans-60.4-46.3174.6-73173.3174.7168.6-3.3111.4S30 T35 M36 V37 V41 F42 L43 A102S30-R39 PolarHBondContact O-NH1 3.15Å; T35-R39 WeakPolarHBondContact O-CG 3.28Å; T35-R39 PolarHBondContact O-N 3.11Å; M36-R39 WeakPolarHBondContact O-CB 3.48Å; M36-R39 PolarHBondContact O-N 3.03Å; V37-R39 PolarHBondContact O-N 2.85Å; R39-V41 VanDerWaalsContact C-N 3.33Å; R39-V41 PolarHBondContact O-N 3.35Å; R39-F42 PolarHBondContact O-N 3.2Å; R39-L43 WeakPolarHBondContact O-CB 3.41Å; R39-L43 PolarHBondContact O-N 3.18Å; R39-A102 HydrophobicContact CG-CB 3.79Å
40D97.1Very high93.8Very high88 Ų8862 Ų6247%0.47132%0.317SS..Hα-helixtrans-62.4-40.9178.5-67.2-14.8000111.5M36 V37 F42 L43 L44M36-D40 PolarHBondContact O-N 2.91Å; V37-D40 PolarHBondContact O-N 2.73Å; D40-F42 PolarHBondContact O-N 3.02Å; D40-L43 PolarHBondContact O-N 3.11Å; D40-L44 VanDerWaalsContact O-CB 3.29Å; D40-L44 WeakPolarHBondContact O-CB 3.42Å; D40-L44 WeakPolarHBondContact O-CG 3.42Å; D40-L44 PolarHBondContact O-N 3.29Å
41V97.3Very high94.6Very high26 Ų2667.5 Ų67.516%0.15833%0.332CS..Hα-helixtrans-60-46.3175.3166.90000111.3V37 S38 R39 L43 K45 V57 I136 L138V37-V41 HydrophobicContact CG1-CG2 4.3Å; V37-V41 VanDerWaalsContact O-CG2 3.29Å; V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.02Å; S38-V41 PolarHBondContact O-N 2.87Å; R39-V41 VanDerWaalsContact C-N 3.33Å; R39-V41 PolarHBondContact O-N 3.35Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 2.91Å; V41-K45 WeakPolarHBondContact O-CB 3.44Å; V41-K45 PolarHBondContact O-N 2.91Å; V41-V57 HydrophobicContact CG1-CG1 4.39Å; V41-V57 HydrophobicContact CG1-CG2 4.09Å; V41-I136 HydrophobicContact CG1-CG2 4.33Å; V41-I136 HydrophobicContact CG2-CD1 4.46Å; V41-I136 HydrophobicContact CG2-CG2 4.48Å; V41-L138 HydrophobicContact CG1-CD2 3.85Å
42F97.1Very high95.2Very high17 Ų1765 Ų658%0.07533%0.326CS..Hα-helixtrans-66.8-34.2177.8-84-73.3000113S38 R39 D40 K45 N46 V57 A99 T100 C101 A102 V105S38-F42 VanDerWaalsContact O-CD2 3.22Å; S38-F42 WeakPolarHBondContact O-CD2 3.34Å; S38-F42 PolarHBondContact O-N 2.84Å; R39-F42 PolarHBondContact O-N 3.2Å; D40-F42 PolarHBondContact O-N 3.02Å; F42-K45 HydrophobicContact CD1-CD 4.26Å; F42-N46 PolarHBondContact O-ND2 2.79Å; F42-N46 VanDerWaalsContact O-ND2 3.14Å; F42-V57 HydrophobicContact CD1-CG2 4.43Å; F42-V57 HydrophobicContact CE1-CB 4.19Å; F42-V57 HydrophobicContact CE1-CG2 3.87Å; F42-V57 HydrophobicContact CE2-CB 4.45Å; F42-V57 HydrophobicContact CE2-CG1 4.18Å; F42-V57 HydrophobicContact CZ-CB 3.8Å; F42-V57 HydrophobicContact CZ-CG1 4.01Å; F42-V57 HydrophobicContact CZ-CG2 3.92Å; F42-A99 HydrophobicContact CE2-CB 4.38Å; F42-A99 HydrophobicContact CZ-CB 3.93Å; F42-A99 WeakPolarHBondContact CZ-O 3.39Å; F42-T100 VanDerWaalsContact CE1-C 3.45Å; F42-T100 VanDerWaalsContact CE1-O 3.24Å; F42-T100 WeakPolarHBondContact CE1-O 3.22Å; F42-C101 VanDerWaalsContact CE2-O 3.31Å; F42-C101 WeakPolarHBondContact CE2-O 3.43Å; F42-C101 VanDerWaalsContact CZ-C 3.46Å; F42-C101 WeakPolarHBondContact CZ-O 3.4Å; F42-A102 HydrophobicContact CD2-CB 4.01Å; F42-V105 HydrophobicContact CE2-CG2 3.82Å
43L96.6Very high95.3Very high96 Ų9668.3 Ų68.350%0.50334%0.343SS..Hα-helixtrans-66.8-53.9174.2-178.865.9000110.9R39 D40 V41 K45 N46 Q47R39-L43 WeakPolarHBondContact O-CB 3.41Å; R39-L43 PolarHBondContact O-N 3.18Å; D40-L43 PolarHBondContact O-N 3.11Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 2.91Å; L43-K45 PolarHBondContact O-N 2.84Å; L43-N46 PolarHBondContact O-N 2.9Å; L43-Q47 WeakPolarHBondContact O-CG 3.4Å
44L96.6Very high95.2Very high86 Ų8672.4 Ų72.445%0.4537%0.365SS..Hα-helixtrans-66.6-38.6-174.5-69.9170.7000112.5D40 N46 Q47 Y50D40-L44 VanDerWaalsContact O-CB 3.29Å; D40-L44 WeakPolarHBondContact O-CB 3.42Å; D40-L44 WeakPolarHBondContact O-CG 3.42Å; D40-L44 PolarHBondContact O-N 3.29Å; L44-N46 PolarHBondContact O-N 2.79Å; L44-N46 VanDerWaalsContact O-N 3.14Å; L44-Q47 PolarHBondContact O-N 2.91Å; L44-Y50 WeakPolarHBondContact O-CD2 3.3Å
45K95.1Very high95.4Very high42 Ų4273 Ų7318%0.18337%0.369CS..Hα-helixtrans-62.2-24.9-179.583.1173.9-135.1-74.70112.9V41 F42 L43 Y50 W51 L55 V57V41-K45 WeakPolarHBondContact O-CB 3.44Å; V41-K45 PolarHBondContact O-N 2.91Å; F42-K45 HydrophobicContact CD1-CD 4.26Å; L43-K45 PolarHBondContact O-N 2.84Å; K45-Y50 CarbonylContact O-C 3.29Å; K45-W51 WeakPolarHBondContact O-CA 3.45Å; K45-W51 PolarHBondContact O-N 2.85Å; K45-L55 VanDerWaalsContact CE-O 3.25Å; K45-L55 WeakPolarHBondContact CE-O 3.33Å; K45-V57 HydrophobicContact CD-CG2 3.66Å
46N93.5Very high95.6Very high106 Ų10676.7 Ų76.757%0.56739%0.386SS*.THydrogen-bonded Turntrans-93.12.1179.8-65.3-21.3000112.7F42 L43 L44F42-N46 PolarHBondContact O-ND2 2.79Å; F42-N46 VanDerWaalsContact O-ND2 3.14Å; L43-N46 PolarHBondContact O-N 2.9Å; L44-N46 PolarHBondContact O-N 2.79Å; L44-N46 VanDerWaalsContact O-N 3.14Å
47Q95.9Very high95.7Very high88 Ų8872.9 Ų72.941%0.41137%0.367SS..SBendtrans-107.6163-179.7-71.1177-8.400111.7L43 L44 Y50 W51L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L44-Q47 PolarHBondContact O-N 2.91Å; Q47-Y50 CarbonylContact O-C 3.59Å; Q47-Y50 WeakPolarHBondContact O-CA 3.35Å; Q47-Y50 PolarHBondContact O-N 2.89Å; Q47-W51 PolarHBondContact O-N 2.96Å
48S93.8Very high95.8Very high99 Ų9973.9 Ų73.969%0.69237%0.369SS*.THydrogen-bonded Turntrans-66.2138.7170.7-171.30000110.9
49P93.5Very high95.9Very high88 Ų8873.8 Ų73.857%0.57137%0.368SS*.THydrogen-bonded Turncis-90.15.23.436.2-36.4000114.7
50Y95.3Very high96Very high109 Ų10968.5 Ų68.543%0.42735%0.348SS..THydrogen-bonded Turntrans-84.8-21.4-166.2-52-64.4000115.3L44 K45 Q47 N52 L53L44-Y50 WeakPolarHBondContact O-CD2 3.3Å; K45-Y50 CarbonylContact O-C 3.29Å; Q47-Y50 CarbonylContact O-C 3.59Å; Q47-Y50 WeakPolarHBondContact O-CA 3.35Å; Q47-Y50 PolarHBondContact O-N 2.89Å; Y50-N52 PolarHBondContact O-N 2.9Å; Y50-N52 VanDerWaalsContact O-N 3.11Å; Y50-L53 HydrophobicContact CD1-CD1 3.94Å; Y50-L53 VanDerWaalsContact O-CB 3.27Å; Y50-L53 WeakPolarHBondContact O-CB 3.39Å; Y50-L53 WeakPolarHBondContact O-CG 3.29Å; Y50-L53 PolarHBondContact O-N 2.83Å
51W93.4Very high96Very high154 Ų15464.4 Ų64.458%0.58333%0.326SS*.G310 helixtrans-55.3-33.8-17477.5-83.1000114.1K45 Q47 L53K45-W51 WeakPolarHBondContact O-CA 3.45Å; K45-W51 PolarHBondContact O-N 2.85Å; Q47-W51 PolarHBondContact O-N 2.96Å; W51-L53 VanDerWaalsContact C-N 3.28Å; W51-L53 PolarHBondContact O-N 3.38Å
52N94.3Very high95.9Very high96 Ų9664.3 Ų64.351%0.51332%0.324SS..G310 helixtrans-76.9-9178.8-77.5-39.9000114.5Y50 N54Y50-N52 PolarHBondContact O-N 2.9Å; Y50-N52 VanDerWaalsContact O-N 3.11Å; N52-N54 VanDerWaalsContact C-N 3.26Å; N52-N54 PolarHBondContact O-N 2.78Å
53L94.8Very high95.8Very high71 Ų7164 Ų6437%0.37232%0.324SS..G310 helixtrans-80.6-8.3-176.3-61.6178.5000113Y50 W51 L55Y50-L53 HydrophobicContact CD1-CD1 3.94Å; Y50-L53 VanDerWaalsContact O-CB 3.27Å; Y50-L53 WeakPolarHBondContact O-CB 3.39Å; Y50-L53 WeakPolarHBondContact O-CG 3.29Å; Y50-L53 PolarHBondContact O-N 2.83Å; W51-L53 VanDerWaalsContact C-N 3.28Å; W51-L53 PolarHBondContact O-N 3.38Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 HydrophobicContact CB-CD1 4.2Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 3.73Å; L53-L55 HydrophobicContact CD1-CD1 4.21Å; L53-L55 PolarHBondContact O-N 3.4Å
54N93.5Very high95.6Very high126 Ų12662.5 Ų62.567%0.67432%0.315SS*.  trans48.749.5-179.5-63.9-47.5000112.2N52 E56N52-N54 VanDerWaalsContact C-N 3.26Å; N52-N54 PolarHBondContact O-N 2.78Å; N54-E56 PolarHBondContact O-N 3.13Å
55L97.3Very high95.2Very high18 Ų1862.3 Ų62.39%0.09431%0.309CS..PPolyproline II helixtrans-76.1124.4-175-64.1175.2000111.7K45 L53 L138 R139 A140 H145K45-L55 VanDerWaalsContact CE-O 3.25Å; K45-L55 WeakPolarHBondContact CE-O 3.33Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 HydrophobicContact CB-CD1 4.2Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 3.73Å; L53-L55 HydrophobicContact CD1-CD1 4.21Å; L53-L55 PolarHBondContact O-N 3.4Å; L55-L138 HydrophobicContact CD1-CD1 4.3Å; L55-L138 HydrophobicContact CD2-CB 4.5Å; L55-R139 WeakPolarHBondContact CA-O 3.31Å; L55-A140 HydrophobicContact CD2-CB 3.97Å; L55-H145 HydrophobicContact CD2-CB 3.96Å
56E97.7Very high94.9Very high79 Ų7966.5 Ų66.537%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-89.4137.4167.8-64.2175133.300109.6N54 Y58 L98 L138 R139N54-E56 PolarHBondContact O-N 3.13Å; E56-Y58 HydrophobicContact CB-CD2 4.21Å; E56-Y58 HydrophobicContact CB-CE2 3.61Å; E56-L98 HydrophobicContact CB-CD1 4.15Å; E56-L138 WeakPolarHBondContact O-CA 3.41Å; E56-R139 PolarHBondContact N-O 3.48Å; E56-R139 PolarHBondContact O-N 3.18Å
57V98.3Very high94.5Very high3 Ų365.1 Ų65.12%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-103.2119.4-180-175.30000108.6V41 F42 K45 A99 I136 L138V41-V57 HydrophobicContact CG1-CG1 4.39Å; V41-V57 HydrophobicContact CG1-CG2 4.09Å; F42-V57 HydrophobicContact CD1-CG2 4.43Å; F42-V57 HydrophobicContact CE1-CB 4.19Å; F42-V57 HydrophobicContact CE1-CG2 3.87Å; F42-V57 HydrophobicContact CE2-CB 4.45Å; F42-V57 HydrophobicContact CE2-CG1 4.18Å; F42-V57 HydrophobicContact CZ-CB 3.8Å; F42-V57 HydrophobicContact CZ-CG1 4.01Å; F42-V57 HydrophobicContact CZ-CG2 3.92Å; K45-V57 HydrophobicContact CD-CG2 3.66Å; V57-A99 PolarHBondContact O-N 3.48Å; V57-I136 HydrophobicContact CG1-CG2 3.87Å; V57-L138 HydrophobicContact CG2-CD2 3.85Å
58Y98.4Very high94.3Very high46 Ų4665.7 Ų65.718%0.1835%0.345CS..EExtended strand (participates in β ladder)trans-113.2153.1172-67.9-100.1000109.8E56 E96 Y97 L98 L137 R139E56-Y58 HydrophobicContact CB-CD2 4.21Å; E56-Y58 HydrophobicContact CB-CE2 3.61Å; Y58-E96 HydrophobicContact CD1-CB 4.06Å; Y58-Y97 CarbonylContact C-O 3.52Å; Y58-Y97 VanDerWaalsContact CA-O 3.24Å; Y58-Y97 WeakPolarHBondContact CA-O 3.35Å; Y58-L98 HydrophobicContact CD1-CB 4.15Å; Y58-L98 HydrophobicContact CD2-CD1 4.37Å; Y58-L98 HydrophobicContact CE1-CB 3.84Å; Y58-L98 HydrophobicContact CE1-CD1 4.14Å; Y58-L98 HydrophobicContact CE2-CD1 3.96Å; Y58-L137 PolarHBondContact N-O 3.45Å; Y58-L137 PolarHBondContact O-N 3.02Å; Y58-R139 HydrophobicContact CD2-CB 4.17Å; Y58-R139 HydrophobicContact CD2-CG 3.96Å; Y58-R139 HydrophobicContact CE2-CB 4Å; Y58-R139 HydrophobicContact CE2-CG 4.11Å
59V98.4Very high94.3Very high0 Ų061.5 Ų61.50%032%0.316CS..EExtended strand (participates in β ladder)trans-130.3151.1173.3-54.70000111.8L73 Y97 V105 M108 F134 Q135 I136V59-L73 HydrophobicContact CG2-CD1 4.4Å; V59-Y97 PolarHBondContact N-O 2.84Å; V59-Y97 PolarHBondContact O-N 2.82Å; V59-V105 HydrophobicContact CG1-CG1 4.14Å; V59-V105 HydrophobicContact CG1-CG2 4Å; V59-M108 HydrophobicContact CG2-CB 4.29Å; V59-M108 HydrophobicContact CG2-CE 3.27Å; V59-M108 HydrophobicContact CG2-CG 4.45Å; V59-M108 HydrophobicContact CG2-SD 3.3Å; V59-M108 WeakPolarHBondContact CG2-SD 2.96Å; V59-F134 HydrophobicContact CB-CE2 3.93Å; V59-F134 HydrophobicContact CB-CZ 3.86Å; V59-F134 HydrophobicContact CG1-CE2 4.36Å; V59-F134 HydrophobicContact CG1-CZ 3.78Å; V59-F134 HydrophobicContact CG2-CE2 4.33Å; V59-Q135 WeakPolarHBondContact CA-O 3.43Å; V59-I136 HydrophobicContact CG1-CG1 4.4Å
60T98.1Very high94.4Very high0 Ų059.4 Ų59.40%030%0.297CS..EExtended strand (participates in β ladder)trans-130.1152.3168.271.60000108.6L94 Q95 E96 F134 Q135 L137T60-L94 HydrophobicContact CG2-CD2 3.93Å; T60-L94 HydrophobicContact CG2-CG 4.03Å; T60-Q95 WeakPolarHBondContact CG2-O 3.24Å; T60-E96 HydrophobicContact CG2-CB 4.36Å; T60-E96 HydrophobicContact CG2-CG 3.64Å; T60-F134 WeakPolarHBondContact O-CD2 3.4Å; T60-Q135 PolarHBondContact N-O 3.46Å; T60-Q135 PolarHBondContact O-N 3.32Å; T60-Q135 VanDerWaalsContact OG1-CB 3.3Å; T60-Q135 WeakPolarHBondContact OG1-CB 3.33Å; T60-Q135 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q135 PolarHBondContact OG1-OE1 3.25Å; T60-L137 HydrophobicContact CG2-CD1 3.76Å
61F97.2Very high94.5Very high3 Ų354.2 Ų54.21%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-142.5120172.3-158.3179.6000109.6Y34 L72 L73 R113 A132 C133 F134Y34-F61 HydrophobicContact CE2-CZ 4.12Å; F61-L72 HydrophobicContact CB-CB 4.33Å; F61-L72 HydrophobicContact CD1-CD1 4.33Å; F61-L72 HydrophobicContact CD2-CD1 3.79Å; F61-L72 HydrophobicContact CE1-CD1 4.38Å; F61-L72 HydrophobicContact CE2-CD1 3.9Å; F61-L72 HydrophobicContact CG-CB 4.32Å; F61-L72 HydrophobicContact CG-CD1 4.03Å; F61-L72 HydrophobicContact CZ-CD1 4.18Å; F61-L72 WeakPolarHBondContact O-CB 3.2Å; F61-L72 PolarHBondContact O-N 2.82Å; F61-L73 HydrophobicContact CB-CD1 4.04Å; F61-L73 HydrophobicContact CB-CD2 3.93Å; F61-L73 HydrophobicContact CB-CG 3.74Å; F61-L73 HydrophobicContact CD1-CD2 4.48Å; F61-R113 HydrophobicContact CE1-CG 4.42Å; F61-A132 HydrophobicContact CE2-CB 4.06Å; F61-C133 WeakPolarHBondContact CD2-O 3.37Å; F61-F134 HydrophobicContact CB-CD2 3.98Å; F61-F134 HydrophobicContact CD1-CD2 4.1Å; F61-F134 HydrophobicContact CD2-CB 3.92Å; F61-F134 HydrophobicContact CD2-CD2 4.17Å; F61-F134 HydrophobicContact CE2-CB 3.99Å; F61-F134 HydrophobicContact CG-CB 4.46Å; F61-F134 AromaticContact CG-CD2 3.84Å; F61-F134 HydrophobicContact CG-CD2 3.84Å
62F96.1Very high94.6Very high23 Ų2347 Ų4710%0.10125%0.25CC..EExtended strand (participates in β ladder)trans-139162.3179.563.4-91.8000111.7I64 V69 F70 L94 C133 Q135F62-I64 HydrophobicContact CD2-CG1 4.37Å; F62-I64 HydrophobicContact CE2-CD1 4.42Å; F62-I64 HydrophobicContact CE2-CG1 4.24Å; F62-V69 HydrophobicContact CB-CG1 4.24Å; F62-V69 HydrophobicContact CD2-CG1 3.62Å; F62-V69 HydrophobicContact CE2-CG1 4.25Å; F62-V69 HydrophobicContact CG-CG1 4.17Å; F62-F70 CarbonylContact C-O 3.56Å; F62-F70 WeakPolarHBondContact CA-O 3.3Å; F62-F70 VanDerWaalsContact CB-O 3.23Å; F62-F70 WeakPolarHBondContact CB-O 3.27Å; F62-L94 HydrophobicContact CB-CD1 4.06Å; F62-L94 HydrophobicContact CD1-CD1 3.95Å; F62-L94 HydrophobicContact CD1-CD2 3.88Å; F62-L94 HydrophobicContact CE1-CD2 4.06Å; F62-L94 HydrophobicContact CG-CD1 4.37Å; F62-C133 HydrophobicContact CD1-CB 4.34Å; F62-C133 HydrophobicContact CD2-CB 4.06Å; F62-C133 HydrophobicContact CE1-CB 3.85Å; F62-C133 HydrophobicContact CE2-CB 3.55Å; F62-C133 HydrophobicContact CG-CB 4.44Å; F62-C133 HydrophobicContact CZ-CB 3.44Å; F62-C133 VanDerWaalsContact CZ-CB 3.44Å; F62-C133 VanDerWaalsContact CZ-SG 3.51Å; F62-C133 PolarHBondContact N-O 3.11Å; F62-C133 PolarHBondContact O-N 2.77Å; F62-Q135 HydrophobicContact CE1-CG 4.16Å
63V93.8Very high94.6Very high12 Ų1242.9 Ų42.97%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-121.8142.4176.868.70000110.2V69 F70 L72 S130 H131V63-V69 CarbonylContact O-C 3.52Å; V63-V69 WeakPolarHBondContact O-CA 3.32Å; V63-F70 HydrophobicContact CG1-CB 3.89Å; V63-F70 HydrophobicContact CG1-CD2 4.28Å; V63-F70 PolarHBondContact N-O 3.46Å; V63-F70 PolarHBondContact O-N 3.48Å; V63-L72 HydrophobicContact CB-CD1 4.11Å; V63-L72 HydrophobicContact CB-CD2 4.08Å; V63-L72 HydrophobicContact CB-CG 4.17Å; V63-L72 HydrophobicContact CG1-CD2 3.71Å; V63-L72 HydrophobicContact CG1-CG 4.2Å; V63-S130 VanDerWaalsContact CG2-CB 3.48Å; V63-H131 CarbonylContact C-O 3.56Å; V63-H131 WeakPolarHBondContact CA-O 3.35Å; V63-H131 VanDerWaalsContact CG2-O 3.29Å; V63-H131 WeakPolarHBondContact CG2-O 3.39Å
64I92.9Very high94.7Very high64 Ų6442.3 Ų42.333%0.32823%0.225SC..EExtended strand (participates in β ladder)trans-104.5117.4168.9-50.6178.7000107.1F62 K68 V69 S130 H131F62-I64 HydrophobicContact CD2-CG1 4.37Å; F62-I64 HydrophobicContact CE2-CD1 4.42Å; F62-I64 HydrophobicContact CE2-CG1 4.24Å; I64-K68 CarbonylContact C-O 3.5Å; I64-K68 VanDerWaalsContact CA-O 3.31Å; I64-K68 WeakPolarHBondContact CA-O 3.36Å; I64-V69 HydrophobicContact CG1-CG2 4.31Å; I64-S130 CarbonylContact O-C 3.6Å; I64-S130 WeakPolarHBondContact O-CA 3.43Å; I64-H131 HydrophobicContact CB-CB 4.34Å; I64-H131 PolarHBondContact N-O 3.33Å; I64-H131 PolarHBondContact O-N 3.01Å
65Y89.1Confident94.5Very high82 Ų8245.4 Ų45.432%0.32223%0.232SC..EExtended strand (participates in β ladder)trans-134.6124.3179.3175.8-102000109.4G67 K68 A123 C129Y65-G67 VanDerWaalsContact C-N 3.29Å; Y65-G67 PolarHBondContact O-N 2.87Å; Y65-K68 PolarHBondContact N-O 3.47Å; Y65-K68 WeakPolarHBondContact O-CB 3.37Å; Y65-K68 PolarHBondContact O-N 3.06Å; Y65-A123 HydrophobicContact CE1-CB 4.47Å; Y65-A123 PolarHBondContact OH-O 2.94Å; Y65-C129 VanDerWaalsContact CD2-O 3.28Å; Y65-C129 WeakPolarHBondContact CD2-O 3.49Å; Y65-C129 HydrophobicContact CE2-CB 4.09Å
66N87.3Confident94.1Very high130 Ų13047.9 Ų47.970%0.69524%0.244SC*.THydrogen-bonded Turntrans48.549.1-179.8-165.621000113K68N66-K68 PolarHBondContact O-N 2.83Å; N66-K68 VanDerWaalsContact O-N 3.12Å
67G86.6Confident93.9Very high76 Ų7645.7 Ų45.778%0.78424%0.239SC*.THydrogen-bonded Turntrans69.72.7-17900000115.8Y65Y65-G67 VanDerWaalsContact C-N 3.29Å; Y65-G67 PolarHBondContact O-N 2.87Å
68K90.8Very high93.8Very high100 Ų10050.8 Ų50.844%0.43526%0.261SS..EExtended strand (participates in β ladder)trans-109.6147.5179.6-63.6170.5-174170.50110.5I64 Y65 N66 F70I64-K68 CarbonylContact C-O 3.5Å; I64-K68 VanDerWaalsContact CA-O 3.31Å; I64-K68 WeakPolarHBondContact CA-O 3.36Å; Y65-K68 PolarHBondContact N-O 3.47Å; Y65-K68 WeakPolarHBondContact O-CB 3.37Å; Y65-K68 PolarHBondContact O-N 3.06Å; N66-K68 PolarHBondContact O-N 2.83Å; N66-K68 VanDerWaalsContact O-N 3.12Å; K68-F70 HydrophobicContact CB-CD2 4.47Å; K68-F70 HydrophobicContact CB-CE2 3.55Å; K68-F70 HydrophobicContact CB-CZ 3.74Å; K68-F70 HydrophobicContact CD-CZ 4.21Å
69V94.8Very high93.6Very high12 Ų1249.1 Ų49.17%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-106.9135.7-179.6-1710000109.9F62 V63 I64 L79 V81F62-V69 HydrophobicContact CB-CG1 4.24Å; F62-V69 HydrophobicContact CD2-CG1 3.62Å; F62-V69 HydrophobicContact CE2-CG1 4.25Å; F62-V69 HydrophobicContact CG-CG1 4.17Å; V63-V69 CarbonylContact O-C 3.52Å; V63-V69 WeakPolarHBondContact O-CA 3.32Å; I64-V69 HydrophobicContact CG1-CG2 4.31Å; V69-L79 HydrophobicContact CB-CB 4.16Å; V69-L79 HydrophobicContact CG1-CB 4.21Å; V69-L79 HydrophobicContact CG1-CD1 3.98Å; V69-L79 PolarHBondContact O-N 2.97Å; V69-V81 HydrophobicContact CB-CG2 4.28Å; V69-V81 HydrophobicContact CG2-CG2 3.43Å; V69-V81 VanDerWaalsContact CG2-CG2 3.43Å
70F94.8Very high93.4Very high44 Ų4456.2 Ų56.219%0.19328%0.283CS..EExtended strand (participates in β ladder)trans-133.3133.5179.3-54.6-91.4000111.1F62 V63 K68 L72 Q76 A77 K78F62-F70 CarbonylContact C-O 3.56Å; F62-F70 WeakPolarHBondContact CA-O 3.3Å; F62-F70 VanDerWaalsContact CB-O 3.23Å; F62-F70 WeakPolarHBondContact CB-O 3.27Å; V63-F70 HydrophobicContact CG1-CB 3.89Å; V63-F70 HydrophobicContact CG1-CD2 4.28Å; V63-F70 PolarHBondContact N-O 3.46Å; V63-F70 PolarHBondContact O-N 3.48Å; K68-F70 HydrophobicContact CB-CD2 4.47Å; K68-F70 HydrophobicContact CB-CE2 3.55Å; K68-F70 HydrophobicContact CB-CZ 3.74Å; K68-F70 HydrophobicContact CD-CZ 4.21Å; F70-L72 PolarHBondContact O-N 2.88Å; F70-Q76 HydrophobicContact CB-CB 4.45Å; F70-Q76 WeakPolarHBondContact CD1-O 3.41Å; F70-A77 CarbonylContact C-O 3.54Å; F70-A77 WeakPolarHBondContact CA-O 3.33Å; F70-K78 HydrophobicContact CD1-CB 4.05Å; F70-K78 HydrophobicContact CD1-CG 4.37Å; F70-K78 HydrophobicContact CE1-CB 4.01Å; F70-K78 HydrophobicContact CE1-CG 4.05Å
71D96.4Very high93.2Very high0 Ų060 Ų600%031%0.306CS..EExtended strand (participates in β ladder)trans-77.9115177.5-168.1-32.6000110.9L73 N74 Q76 A77 L79 L94 Q95D71-L73 VanDerWaalsContact C-N 3.35Å; D71-L73 PolarHBondContact OD1-N 3.5Å; D71-N74 HydrophobicContact CB-CB 4.02Å; D71-N74 CarbonylContact O-C 3.59Å; D71-N74 PolarHBondContact OD1-N 3.48Å; D71-Q76 WeakPolarHBondContact O-CA 3.4Å; D71-Q76 PolarHBondContact O-N 3.13Å; D71-A77 HydrophobicContact CB-CB 4.4Å; D71-A77 PolarHBondContact N-O 3.36Å; D71-L79 HydrophobicContact CB-CD1 4.09Å; D71-L79 HydrophobicContact CB-CD2 4.25Å; D71-L79 HydrophobicContact CB-CG 4.28Å; D71-L94 HydrophobicContact CB-CD1 4.43Å; D71-Q95 PolarHBondContact OD2-N 3.11Å
72L95.6Very high92.9Very high2 Ų264.7 Ų64.71%0.0133%0.331CS..THydrogen-bonded Turntrans-79.5-17.3-178.2-64.1177.4000113.2F61 V63 F70 C115 R116F61-L72 HydrophobicContact CB-CB 4.33Å; F61-L72 HydrophobicContact CD1-CD1 4.33Å; F61-L72 HydrophobicContact CD2-CD1 3.79Å; F61-L72 HydrophobicContact CE1-CD1 4.38Å; F61-L72 HydrophobicContact CE2-CD1 3.9Å; F61-L72 HydrophobicContact CG-CB 4.32Å; F61-L72 HydrophobicContact CG-CD1 4.03Å; F61-L72 HydrophobicContact CZ-CD1 4.18Å; F61-L72 WeakPolarHBondContact O-CB 3.2Å; F61-L72 PolarHBondContact O-N 2.82Å; V63-L72 HydrophobicContact CB-CD1 4.11Å; V63-L72 HydrophobicContact CB-CD2 4.08Å; V63-L72 HydrophobicContact CB-CG 4.17Å; V63-L72 HydrophobicContact CG1-CD2 3.71Å; V63-L72 HydrophobicContact CG1-CG 4.2Å; F70-L72 PolarHBondContact O-N 2.88Å; L72-C115 HydrophobicContact CD2-CB 4.44Å; L72-C115 WeakPolarHBondContact O-CB 3.46Å; L72-R116 HydrophobicContact CD1-CB 4.15Å; L72-R116 HydrophobicContact CD2-CB 4.02Å
73L96.1Very high92.7Very high10 Ų1069.4 Ų69.45%0.05235%0.353CS..THydrogen-bonded Turntrans-92-17.3175.9-56.8-176.2000111.6V59 F61 D71 Y97 M108V59-L73 HydrophobicContact CG2-CD1 4.4Å; F61-L73 HydrophobicContact CB-CD1 4.04Å; F61-L73 HydrophobicContact CB-CD2 3.93Å; F61-L73 HydrophobicContact CB-CG 3.74Å; F61-L73 HydrophobicContact CD1-CD2 4.48Å; D71-L73 VanDerWaalsContact C-N 3.35Å; D71-L73 PolarHBondContact OD1-N 3.5Å; L73-Y97 HydrophobicContact CB-CD2 3.9Å; L73-Y97 HydrophobicContact CB-CE2 3.33Å; L73-Y97 HydrophobicContact CD1-CD2 3.52Å; L73-Y97 HydrophobicContact CD1-CE2 3.89Å; L73-Y97 HydrophobicContact CD1-CG 4.3Å; L73-Y97 HydrophobicContact CG-CD2 4.35Å; L73-Y97 HydrophobicContact CG-CE2 4.25Å; L73-Y97 PolarHBondContact O-OH 2.88Å; L73-M108 HydrophobicContact CD1-CB 4.45Å; L73-M108 HydrophobicContact CD1-SD 4.36Å; L73-M108 HydrophobicContact CD2-CB 4.13Å; L73-M108 VanDerWaalsContact CD2-O 3.27Å; L73-M108 WeakPolarHBondContact CD2-O 3.41Å
74N94.9Very high92.4Very high59 Ų5971.4 Ų71.432%0.31636%0.363SS..THydrogen-bonded Turntrans-115.458176.7-169.422.4000112.6D71 Q76 A77 Q95D71-N74 HydrophobicContact CB-CB 4.02Å; D71-N74 CarbonylContact O-C 3.59Å; D71-N74 PolarHBondContact OD1-N 3.48Å; N74-Q76 VanDerWaalsContact C-N 3.28Å; N74-Q76 PolarHBondContact O-N 3.06Å; N74-Q76 VanDerWaalsContact O-N 3.11Å; N74-A77 HydrophobicContact CB-CB 4.35Å; N74-A77 VanDerWaalsContact O-CB 3.25Å; N74-A77 WeakPolarHBondContact O-CB 3.36Å; N74-A77 PolarHBondContact O-N 3.11Å; N74-Q95 HydrophobicContact CB-CG 4.13Å
75K89.5Confident92.2Very high190 Ų19074.4 Ų74.483%0.82639%0.39SS*.THydrogen-bonded Turntrans51.538.1170.9-56.5-179.3-178.5177.50114.9A77K75-A77 VanDerWaalsContact C-N 3.26Å; K75-A77 PolarHBondContact O-N 3.12Å
76Q89.9Confident92.1Very high71 Ų7180.2 Ų80.233%0.33241%0.411SS..THydrogen-bonded Turntrans59.531.9-175.3-49.6-175.9-5.500113.9F70 D71 N74 K78 C115 G119F70-Q76 HydrophobicContact CB-CB 4.45Å; F70-Q76 WeakPolarHBondContact CD1-O 3.41Å; D71-Q76 WeakPolarHBondContact O-CA 3.4Å; D71-Q76 PolarHBondContact O-N 3.13Å; N74-Q76 VanDerWaalsContact C-N 3.28Å; N74-Q76 PolarHBondContact O-N 3.06Å; N74-Q76 VanDerWaalsContact O-N 3.11Å; Q76-K78 PolarHBondContact O-N 3.36Å; Q76-C115 WeakPolarHBondContact CG-SG 3.47Å; Q76-C115 PolarHBondContact NE2-O 3.37Å; Q76-G119 VanDerWaalsContact NE2-N 3.2Å
77A93.9Very high92Very high33 Ų3381.1 Ų81.127%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-55125.3173.100000109.8F70 D71 N74 K75 L79F70-A77 CarbonylContact C-O 3.54Å; F70-A77 WeakPolarHBondContact CA-O 3.33Å; D71-A77 HydrophobicContact CB-CB 4.4Å; D71-A77 PolarHBondContact N-O 3.36Å; N74-A77 HydrophobicContact CB-CB 4.35Å; N74-A77 VanDerWaalsContact O-CB 3.25Å; N74-A77 WeakPolarHBondContact O-CB 3.36Å; N74-A77 PolarHBondContact O-N 3.11Å; K75-A77 VanDerWaalsContact C-N 3.26Å; K75-A77 PolarHBondContact O-N 3.12Å; A77-L79 PolarHBondContact O-N 3.12Å
78K94.4Very high91.9Very high110 Ų11081.9 Ų81.948%0.47839%0.394SS..EExtended strand (participates in β ladder)trans-69.1131.1178.1-174.5-174.9176-167.20109.5F70 Q76F70-K78 HydrophobicContact CD1-CB 4.05Å; F70-K78 HydrophobicContact CD1-CG 4.37Å; F70-K78 HydrophobicContact CE1-CB 4.01Å; F70-K78 HydrophobicContact CE1-CG 4.05Å; Q76-K78 PolarHBondContact O-N 3.36Å
79L96Very high91.7Very high11 Ų1181.8 Ų81.86%0.05840%0.402CS..EExtended strand (participates in β ladder)trans-106.7151.6-179.6-55.2180000111V69 D71 A77 A91 L94V69-L79 HydrophobicContact CB-CB 4.16Å; V69-L79 HydrophobicContact CG1-CB 4.21Å; V69-L79 HydrophobicContact CG1-CD1 3.98Å; V69-L79 PolarHBondContact O-N 2.97Å; D71-L79 HydrophobicContact CB-CD1 4.09Å; D71-L79 HydrophobicContact CB-CD2 4.25Å; D71-L79 HydrophobicContact CB-CG 4.28Å; A77-L79 PolarHBondContact O-N 3.12Å; L79-A91 HydrophobicContact CD1-CB 4.21Å; L79-L94 HydrophobicContact CD1-CB 3.82Å; L79-L94 HydrophobicContact CD1-CD1 3.58Å; L79-L94 HydrophobicContact CD1-CG 4.26Å
80Y93.1Very high91.4Very high149 Ų14986 Ų8658%0.58442%0.421SS*.EExtended strand (participates in β ladder)trans-100.8130.1172.9-65.9-85.4000109.5A91 V92Y80-A91 CarbonylContact O-C 3.58Å; Y80-A91 WeakPolarHBondContact O-CA 3.46Å; Y80-V92 PolarHBondContact O-N 2.83Å
81V93.1Very high91.3Very high79 Ų7985.3 Ų85.348%0.47942%0.424SS..EExtended strand (participates in β ladder)trans-96.4112175.4-177.80000107.6V69 V89 Q90V69-V81 HydrophobicContact CB-CG2 4.28Å; V69-V81 HydrophobicContact CG2-CG2 3.43Å; V69-V81 VanDerWaalsContact CG2-CG2 3.43Å; V81-V89 HydrophobicContact CG1-CG1 3.31Å; V81-Q90 WeakPolarHBondContact CA-O 3.4Å
82L91.4Very high91.2Very high102 Ų10288.7 Ų88.753%0.53444%0.444SS..EExtended strand (participates in β ladder)trans-122.4153.1-179.6-58.6-177.9000109.9V89 Q90 V92L82-V89 CarbonylContact O-C 3.59Å; L82-V89 WeakPolarHBondContact O-CA 3.49Å; L82-Q90 PolarHBondContact N-O 2.77Å; L82-Q90 PolarHBondContact O-N 2.77Å; L82-V92 HydrophobicContact CB-CG2 4.22Å; L82-V92 HydrophobicContact CD1-CG2 3.81Å; L82-V92 HydrophobicContact CG-CG2 4.04Å
83E92.1Very high91.1Very high122 Ų12290.8 Ų90.857%0.5747%0.466SS*.EExtended strand (participates in β ladder)trans-106.2130.4173.6-170.8176.2172.900109.1Q87 V89E83-Q87 VanDerWaalsContact OE1-CA 3.22Å; E83-Q87 WeakPolarHBondContact OE1-CA 3.5Å; E83-Q87 VanDerWaalsContact OE1-CB 3.32Å; E83-Q87 WeakPolarHBondContact OE1-CB 3.43Å; E83-V89 HydrophobicContact CG-CG2 4.46Å
84D87.1Confident91.1Very high54 Ų5492 Ų9229%0.28947%0.472SS..  trans-84175.3177.270.820.4000112.7R86 Q87 Q88 Q90D84-R86 PolarHBondContact O-N 3.19Å; D84-R86 VanDerWaalsContact OD1-C 3.3Å; D84-R86 VanDerWaalsContact OD1-CA 3.28Å; D84-R86 WeakPolarHBondContact OD1-CA 3.4Å; D84-R86 WeakPolarHBondContact OD1-CB 2.85Å; D84-R86 PolarHBondContact OD1-N 3.09Å; D84-Q87 PolarHBondContact O-N 2.72Å; D84-Q87 PolarHBondContact OD1-N 3.01Å; D84-Q88 PolarHBondContact N-O 3.33Å; D84-Q88 PolarHBondContact OD1-N 2.85Å; D84-Q90 PolarHBondContact OD2-NE2 3.25Å
85S88.7Confident91.1Very high127 Ų12793.3 Ų93.389%0.88848%0.476SS*.THydrogen-bonded Turntrans-63.9-817957.10000114.5
86R88.2Confident91.5Very high204 Ų20487.6 Ų87.677%0.7745%0.453SS*.THydrogen-bonded Turntrans-104.817.1176.2-57.4-179.2176.3-168.5-1.5111.9D84 Q88D84-R86 PolarHBondContact O-N 3.19Å; D84-R86 VanDerWaalsContact OD1-C 3.3Å; D84-R86 VanDerWaalsContact OD1-CA 3.28Å; D84-R86 WeakPolarHBondContact OD1-CA 3.4Å; D84-R86 WeakPolarHBondContact OD1-CB 2.85Å; D84-R86 PolarHBondContact OD1-N 3.09Å; R86-Q88 HydrophobicContact CB-CG 4.41Å; R86-Q88 PolarHBondContact O-N 2.93Å
87Q85.7Confident91.9Very high149 Ų14987.9 Ų87.970%0.69645%0.451SS*.SBendtrans56.630.2-177.6-59-179.4-1600112.9E83 D84E83-Q87 VanDerWaalsContact OE1-CA 3.22Å; E83-Q87 WeakPolarHBondContact OE1-CA 3.5Å; E83-Q87 VanDerWaalsContact OE1-CB 3.32Å; E83-Q87 WeakPolarHBondContact OE1-CB 3.43Å; D84-Q87 PolarHBondContact O-N 2.72Å; D84-Q87 PolarHBondContact OD1-N 3.01Å
88Q83.9Confident92.1Very high91 Ų9190.4 Ų90.443%0.42546%0.46SS..  trans-98120.6172.6-59.7-61-74.600109.7D84 R86D84-Q88 PolarHBondContact N-O 3.33Å; D84-Q88 PolarHBondContact OD1-N 2.85Å; R86-Q88 HydrophobicContact CB-CG 4.41Å; R86-Q88 PolarHBondContact O-N 2.93Å
89V87Confident92.2Very high98 Ų9885.3 Ų85.359%0.59444%0.438SS*.EExtended strand (participates in β ladder)trans-75.6128.6173.6-179.80000110V81 L82 E83V81-V89 HydrophobicContact CG1-CG1 3.31Å; L82-V89 CarbonylContact O-C 3.59Å; L82-V89 WeakPolarHBondContact O-CA 3.49Å; E83-V89 HydrophobicContact CG-CG2 4.46Å
90Q87.6Confident92.3Very high101 Ų10189.7 Ų89.747%0.47247%0.465SS..EExtended strand (participates in β ladder)trans-129.7136.1-179-54.5-169.922.100110.9V81 L82 D84 V92V81-Q90 WeakPolarHBondContact CA-O 3.4Å; L82-Q90 PolarHBondContact N-O 2.77Å; L82-Q90 PolarHBondContact O-N 2.77Å; D84-Q90 PolarHBondContact OD2-NE2 3.25Å; Q90-V92 PolarHBondContact O-N 2.98Å
91A93.3Very high92.4Very high30 Ų3084.8 Ų84.825%0.24845%0.452CS..EExtended strand (participates in β ladder)trans-86.597.3168.600000108.5L79 Y80 G93 L94L79-A91 HydrophobicContact CD1-CB 4.21Å; Y80-A91 CarbonylContact O-C 3.58Å; Y80-A91 WeakPolarHBondContact O-CA 3.46Å; A91-G93 PolarHBondContact O-N 3.16Å; A91-L94 HydrophobicContact CB-CB 4.19Å; A91-L94 HydrophobicContact CB-CD2 4.38Å; A91-L94 WeakPolarHBondContact O-CB 3.27Å; A91-L94 PolarHBondContact O-N 3.4Å
92V93.1Very high92.4Very high71 Ų7181.8 Ų81.843%0.4344%0.436SS..EExtended strand (participates in β ladder)trans-66.9128.3-176.6-178.80000110Y80 L82 Q90Y80-V92 PolarHBondContact O-N 2.83Å; L82-V92 HydrophobicContact CB-CG2 4.22Å; L82-V92 HydrophobicContact CD1-CG2 3.81Å; L82-V92 HydrophobicContact CG-CG2 4.04Å; Q90-V92 PolarHBondContact O-N 2.98Å
93G93.1Very high92.4Very high45 Ų4581.8 Ų81.846%0.46444%0.436SS..THydrogen-bonded Turntrans88.2-1.1-179.400000115.1A91 Q95A91-G93 PolarHBondContact O-N 3.16Å; G93-Q95 PolarHBondContact O-N 3.44Å; G93-Q95 PolarHBondContact O-NE2 3.4Å
94L96.7Very high92.6Very high35 Ų3577.7 Ų77.718%0.18342%0.418CS..PPolyproline II helixtrans-59.8124.9174.6-177.463.2000109.9T60 F62 D71 L79 A91T60-L94 HydrophobicContact CG2-CD2 3.93Å; T60-L94 HydrophobicContact CG2-CG 4.03Å; F62-L94 HydrophobicContact CB-CD1 4.06Å; F62-L94 HydrophobicContact CD1-CD1 3.95Å; F62-L94 HydrophobicContact CD1-CD2 3.88Å; F62-L94 HydrophobicContact CE1-CD2 4.06Å; F62-L94 HydrophobicContact CG-CD1 4.37Å; D71-L94 HydrophobicContact CB-CD1 4.43Å; L79-L94 HydrophobicContact CD1-CB 3.82Å; L79-L94 HydrophobicContact CD1-CD1 3.58Å; L79-L94 HydrophobicContact CD1-CG 4.26Å; A91-L94 HydrophobicContact CB-CB 4.19Å; A91-L94 HydrophobicContact CB-CD2 4.38Å; A91-L94 WeakPolarHBondContact O-CB 3.27Å; A91-L94 PolarHBondContact O-N 3.4Å
95Q96.1Very high93Very high88 Ų8875.1 Ų75.141%0.41141%0.405SS..PPolyproline II helixtrans-84.3127.9-178.3-67-63.1-44.600111.2T60 D71 N74 G93 Y97T60-Q95 WeakPolarHBondContact CG2-O 3.24Å; D71-Q95 PolarHBondContact OD2-N 3.11Å; N74-Q95 HydrophobicContact CB-CG 4.13Å; G93-Q95 PolarHBondContact O-N 3.44Å; G93-Q95 PolarHBondContact O-NE2 3.4Å; Q95-Y97 HydrophobicContact CB-CD2 4.15Å; Q95-Y97 HydrophobicContact CB-CE2 3.37Å; Q95-Y97 HydrophobicContact CG-CE2 4.47Å
96E97Very high93.1Very high70 Ų7070.3 Ų70.333%0.32737%0.37SS..PPolyproline II helixtrans-96.7122.4170.2-69.9-176.5-160.100109.6Y58 T60 L137 R139Y58-E96 HydrophobicContact CD1-CB 4.06Å; T60-E96 HydrophobicContact CG2-CB 4.36Å; T60-E96 HydrophobicContact CG2-CG 3.64Å; E96-L137 HydrophobicContact CG-CD1 4.48Å; E96-R139 IonicContact OE1-CZ 3.87Å; E96-R139 IonicContact OE1-NH2 2.79Å; E96-R139 PolarHBondContact OE1-NH2 3.33Å; E96-R139 IonicContact OE2-CZ 3.21Å; E96-R139 IonicContact OE2-NE 2.79Å; E96-R139 PolarHBondContact OE2-NE 2.99Å; E96-R139 IonicContact OE2-NH2 2.82Å; E96-R139 PolarHBondContact OE2-NH2 2.71Å
97Y97.9Very high93.4Very high77 Ų7766.9 Ų66.930%0.30236%0.361SS..EExtended strand (participates in β ladder)trans-106.5125.8-179.3-68.3-97.2000110.4Y58 V59 L73 Q95 A99 M108Y58-Y97 CarbonylContact C-O 3.52Å; Y58-Y97 VanDerWaalsContact CA-O 3.24Å; Y58-Y97 WeakPolarHBondContact CA-O 3.35Å; V59-Y97 PolarHBondContact N-O 2.84Å; V59-Y97 PolarHBondContact O-N 2.82Å; L73-Y97 HydrophobicContact CB-CD2 3.9Å; L73-Y97 HydrophobicContact CB-CE2 3.33Å; L73-Y97 HydrophobicContact CD1-CD2 3.52Å; L73-Y97 HydrophobicContact CD1-CE2 3.89Å; L73-Y97 HydrophobicContact CD1-CG 4.3Å; L73-Y97 HydrophobicContact CG-CD2 4.35Å; L73-Y97 HydrophobicContact CG-CE2 4.25Å; L73-Y97 PolarHBondContact O-OH 2.88Å; Q95-Y97 HydrophobicContact CB-CD2 4.15Å; Q95-Y97 HydrophobicContact CB-CE2 3.37Å; Q95-Y97 HydrophobicContact CG-CE2 4.47Å; Y97-A99 PolarHBondContact O-N 2.92Å; Y97-M108 WeakPolarHBondContact CB-SD 3.35Å; Y97-M108 HydrophobicContact CG-SD 3.99Å
98L97.9Very high93.8Very high86 Ų8660.8 Ų60.845%0.4533%0.332SS..EExtended strand (participates in β ladder)trans-67129.7174.5-179.867.9000109.9E56 Y58E56-L98 HydrophobicContact CB-CD1 4.15Å; Y58-L98 HydrophobicContact CD1-CB 4.15Å; Y58-L98 HydrophobicContact CD2-CD1 4.37Å; Y58-L98 HydrophobicContact CE1-CB 3.84Å; Y58-L98 HydrophobicContact CE1-CD1 4.14Å; Y58-L98 HydrophobicContact CE2-CD1 3.96Å
99A97.8Very high94.2Very high2 Ų256.4 Ų56.42%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-113128.1171.100000109.5F42 V57 Y97 D104 V105 M108F42-A99 HydrophobicContact CE2-CB 4.38Å; F42-A99 HydrophobicContact CZ-CB 3.93Å; F42-A99 WeakPolarHBondContact CZ-O 3.39Å; V57-A99 PolarHBondContact O-N 3.48Å; Y97-A99 PolarHBondContact O-N 2.92Å; A99-D104 HydrophobicContact CB-CB 4.18Å; A99-V105 HydrophobicContact CB-CG2 3.48Å; A99-V105 VanDerWaalsContact CB-CG2 3.48Å; A99-M108 HydrophobicContact CB-CE 3.77Å
100T97Very high94.4Very high103 Ų10355.1 Ų55.163%0.63230%0.301SS*.SBendtrans-95.4-22.6179.565.40000112.4F42 D104F42-T100 VanDerWaalsContact CE1-C 3.45Å; F42-T100 VanDerWaalsContact CE1-O 3.24Å; F42-T100 WeakPolarHBondContact CE1-O 3.22Å; T100-D104 PolarHBondContact N-OD2 2.88Å; T100-D104 PolarHBondContact OG1-OD2 3.38Å
101C95.8Very high94.5Very high46 Ų4655.6 Ų55.631%0.31131%0.305SS..SBendtrans-14617217569.90000112F42 D103 D104F42-C101 VanDerWaalsContact CE2-O 3.31Å; F42-C101 WeakPolarHBondContact CE2-O 3.43Å; F42-C101 VanDerWaalsContact CZ-C 3.46Å; F42-C101 WeakPolarHBondContact CZ-O 3.4Å; C101-D103 PolarHBondContact O-N 3.43Å; C101-D104 PolarHBondContact N-OD2 3.38Å; C101-D104 PolarHBondContact O-N 2.98Å
102A93.2Very high94.4Very high17 Ų1754.1 Ų54.114%0.1429%0.293CS..Hα-helixtrans-62.2-31.9178.700000112.7R39 F42 D104 V105 V106R39-A102 HydrophobicContact CG-CB 3.79Å; F42-A102 HydrophobicContact CD2-CB 4.01Å; A102-D104 VanDerWaalsContact C-N 3.34Å; A102-D104 PolarHBondContact O-N 3.06Å; A102-V105 WeakPolarHBondContact O-CB 3.02Å; A102-V105 PolarHBondContact O-N 3.36Å; A102-V106 WeakPolarHBondContact O-CG2 3.27Å; A102-V106 PolarHBondContact O-N 3.14Å
103D91.9Very high94.1Very high101 Ų10152.2 Ų52.254%0.5428%0.278SS..Hα-helixtrans-69.1-32.3180-65.6-34.7000112.5C101 V105 V106 K107C101-D103 PolarHBondContact O-N 3.43Å; D103-V105 VanDerWaalsContact C-N 3.27Å; D103-V105 PolarHBondContact O-N 2.89Å; D103-V106 PolarHBondContact O-N 3.47Å; D103-K107 WeakPolarHBondContact O-CG 3.29Å; D103-K107 PolarHBondContact O-N 3.34Å
104D95.9Very high93.7Very high36 Ų3652.8 Ų52.819%0.19328%0.279CS..Hα-helixtrans-61.2-41.2172-67.1-22.5000110.7A99 T100 C101 A102 K107 M108A99-D104 HydrophobicContact CB-CB 4.18Å; T100-D104 PolarHBondContact N-OD2 2.88Å; T100-D104 PolarHBondContact OG1-OD2 3.38Å; C101-D104 PolarHBondContact N-OD2 3.38Å; C101-D104 PolarHBondContact O-N 2.98Å; A102-D104 VanDerWaalsContact C-N 3.34Å; A102-D104 PolarHBondContact O-N 3.06Å; D104-K107 WeakPolarHBondContact O-CB 3.48Å; D104-K107 PolarHBondContact O-N 3.3Å; D104-K107 IonicContact OD1-NZ 3.97Å; D104-K107 PolarHBondContact OD1-NZ 2.85Å; D104-M108 HydrophobicContact CB-CE 4.43Å; D104-M108 WeakPolarHBondContact O-CG 3.19Å; D104-M108 PolarHBondContact O-N 3.09Å; D104-M108 VanDerWaalsContact O-N 3.09Å
105V94.5Very high93.2Very high1 Ų152.2 Ų52.21%0.00628%0.277CS..Hα-helixtrans-65-42.1176-176.10000111.3S38 F42 V59 A99 A102 D103 K107 M108 I109 F134S38-V105 WeakPolarHBondContact OG-CG1 3.25Å; F42-V105 HydrophobicContact CE2-CG2 3.82Å; V59-V105 HydrophobicContact CG1-CG1 4.14Å; V59-V105 HydrophobicContact CG1-CG2 4Å; A99-V105 HydrophobicContact CB-CG2 3.48Å; A99-V105 VanDerWaalsContact CB-CG2 3.48Å; A102-V105 WeakPolarHBondContact O-CB 3.02Å; A102-V105 PolarHBondContact O-N 3.36Å; D103-V105 VanDerWaalsContact C-N 3.27Å; D103-V105 PolarHBondContact O-N 2.89Å; V105-K107 VanDerWaalsContact C-N 3.31Å; V105-K107 PolarHBondContact O-N 3.49Å; V105-M108 PolarHBondContact O-N 2.88Å; V105-M108 VanDerWaalsContact O-N 3.14Å; V105-I109 HydrophobicContact CG1-CD1 3.81Å; V105-I109 HydrophobicContact CG1-CG1 4.23Å; V105-I109 VanDerWaalsContact O-CG1 3.31Å; V105-I109 WeakPolarHBondContact O-CG1 3.31Å; V105-I109 PolarHBondContact O-N 3.34Å; V105-F134 HydrophobicContact CG1-CE1 4.23Å; V105-F134 HydrophobicContact CG1-CE2 4.42Å; V105-F134 HydrophobicContact CG1-CZ 3.53Å
106V92.1Very high92.5Very high26 Ų2649.1 Ų49.116%0.15826%0.262CS..Hα-helixtrans-59.3-42175.7173.80000111.4T35 A102 D103 M108 I109 N110T35-V106 HydrophobicContact CG2-CG2 3.51Å; A102-V106 WeakPolarHBondContact O-CG2 3.27Å; A102-V106 PolarHBondContact O-N 3.14Å; D103-V106 PolarHBondContact O-N 3.47Å; V106-M108 VanDerWaalsContact C-N 3.34Å; V106-M108 PolarHBondContact O-N 3.4Å; V106-I109 PolarHBondContact O-N 3.5Å; V106-N110 VanDerWaalsContact O-CG 3.28Å; V106-N110 PolarHBondContact O-N 3.38Å; V106-N110 PolarHBondContact O-ND2 2.95Å
107K92.9Very high91.4Very high132 Ų13249.9 Ų49.957%0.57427%0.271SS*.Hα-helixtrans-59.8-44.2174.7-67.3167.9-165.7159.30111.4D103 D104 V105 N110 M111D103-K107 WeakPolarHBondContact O-CG 3.29Å; D103-K107 PolarHBondContact O-N 3.34Å; D104-K107 WeakPolarHBondContact O-CB 3.48Å; D104-K107 PolarHBondContact O-N 3.3Å; D104-K107 IonicContact OD1-NZ 3.97Å; D104-K107 PolarHBondContact OD1-NZ 2.85Å; V105-K107 VanDerWaalsContact C-N 3.31Å; V105-K107 PolarHBondContact O-N 3.49Å; K107-N110 PolarHBondContact O-N 3.3Å; K107-M111 WeakPolarHBondContact O-CB 3.21Å; K107-M111 PolarHBondContact O-N 3.39Å
108M94.9Very high89.8Confident20 Ų2049.6 Ų49.610%0.09928%0.281CS..Hα-helixtrans-67.8-39178.7-70.2-172.8-86.200112.8V59 L73 Y97 A99 D104 V105 V106 N110 M111 G112V59-M108 HydrophobicContact CG2-CB 4.29Å; V59-M108 HydrophobicContact CG2-CE 3.27Å; V59-M108 HydrophobicContact CG2-CG 4.45Å; V59-M108 HydrophobicContact CG2-SD 3.3Å; V59-M108 WeakPolarHBondContact CG2-SD 2.96Å; L73-M108 HydrophobicContact CD1-CB 4.45Å; L73-M108 HydrophobicContact CD1-SD 4.36Å; L73-M108 HydrophobicContact CD2-CB 4.13Å; L73-M108 VanDerWaalsContact CD2-O 3.27Å; L73-M108 WeakPolarHBondContact CD2-O 3.41Å; Y97-M108 WeakPolarHBondContact CB-SD 3.35Å; Y97-M108 HydrophobicContact CG-SD 3.99Å; A99-M108 HydrophobicContact CB-CE 3.77Å; D104-M108 HydrophobicContact CB-CE 4.43Å; D104-M108 WeakPolarHBondContact O-CG 3.19Å; D104-M108 PolarHBondContact O-N 3.09Å; D104-M108 VanDerWaalsContact O-N 3.09Å; V105-M108 PolarHBondContact O-N 2.88Å; V105-M108 VanDerWaalsContact O-N 3.14Å; V106-M108 VanDerWaalsContact C-N 3.34Å; V106-M108 PolarHBondContact O-N 3.4Å; M108-N110 VanDerWaalsContact C-N 3.34Å; M108-N110 PolarHBondContact O-N 3.44Å; M108-M111 PolarHBondContact O-N 3.41Å; M108-G112 PolarHBondContact O-N 2.98Å
109I92.4Very high88Confident0 Ų046.5 Ų46.50%027%0.269CS..Hα-helixtrans-59.6-47.4172.6-67.3160.2000109.9T29 Y34 V105 V106 M111 G112 R113 F134T29-I109 HydrophobicContact CG2-CB 4.22Å; T29-I109 HydrophobicContact CG2-CG2 3.54Å; Y34-I109 HydrophobicContact CD2-CG2 4.15Å; V105-I109 HydrophobicContact CG1-CD1 3.81Å; V105-I109 HydrophobicContact CG1-CG1 4.23Å; V105-I109 VanDerWaalsContact O-CG1 3.31Å; V105-I109 WeakPolarHBondContact O-CG1 3.31Å; V105-I109 PolarHBondContact O-N 3.34Å; V106-I109 PolarHBondContact O-N 3.5Å; I109-M111 PolarHBondContact O-N 2.96Å; I109-G112 PolarHBondContact O-N 3.16Å; I109-R113 HydrophobicContact CG2-CG 4.29Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 WeakPolarHBondContact O-CG 3.44Å; I109-R113 PolarHBondContact O-N 2.81Å; I109-F134 HydrophobicContact CD1-CZ 4.41Å; I109-F134 HydrophobicContact CG1-CD2 4.43Å; I109-F134 HydrophobicContact CG1-CE2 3.98Å; I109-F134 HydrophobicContact CG1-CZ 4.1Å
110N90.3Very high86.1Confident70 Ų7047.9 Ų47.937%0.37428%0.276SS..Hα-helixtrans-63.2-42.5179.2-70.8-23.3000111.9T29 V106 K107 M108 R113 A114T29-N110 WeakPolarHBondContact CB-OD1 3.48Å; T29-N110 PolarHBondContact OG1-OD1 3.35Å; V106-N110 VanDerWaalsContact O-CG 3.28Å; V106-N110 PolarHBondContact O-N 3.38Å; V106-N110 PolarHBondContact O-ND2 2.95Å; K107-N110 PolarHBondContact O-N 3.3Å; M108-N110 VanDerWaalsContact C-N 3.34Å; M108-N110 PolarHBondContact O-N 3.44Å; N110-R113 PolarHBondContact O-N 2.94Å; N110-A114 WeakPolarHBondContact O-CB 3.49Å; N110-A114 PolarHBondContact O-N 3.44Å
111M91.3Very high84Confident111 Ų11148.2 Ų48.255%0.54728%0.278SS..Hα-helixtrans-59-52.7174.7-178.9-173.2-67.900111.5K107 M108 I109 R113 A114 C115K107-M111 WeakPolarHBondContact O-CB 3.21Å; K107-M111 PolarHBondContact O-N 3.39Å; M108-M111 PolarHBondContact O-N 3.41Å; I109-M111 PolarHBondContact O-N 2.96Å; M111-R113 VanDerWaalsContact C-N 3.31Å; M111-R113 PolarHBondContact O-N 2.82Å; M111-A114 PolarHBondContact O-N 3.01Å; M111-C115 WeakPolarHBondContact O-CB 3.29Å; M111-C115 PolarHBondContact O-N 3.14Å
112G91.3Very high81.6Confident0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-65.3-33.9-179.300000113M108 I109 C115 R116M108-G112 PolarHBondContact O-N 2.98Å; I109-G112 PolarHBondContact O-N 3.16Å; G112-C115 WeakPolarHBondContact O-CB 3.33Å; G112-C115 PolarHBondContact O-N 2.75Å; G112-R116 WeakPolarHBondContact O-CB 3.46Å; G112-R116 PolarHBondContact O-N 2.91Å
113R85.4Confident79.4Confident30 Ų3056.6 Ų56.611%0.11331%0.313CS..Hα-helixtrans-63.7-51.1172.4-77.5175.869.3171.9-1.8111.9G19 T29 F61 I109 N110 M111 C115 R116 T117G19-R113 PolarHBondContact O-NH1 3.09Å; T29-R113 PolarHBondContact OG1-NH1 3.4Å; T29-R113 VanDerWaalsContact OG1-NH1 3.11Å; F61-R113 HydrophobicContact CE1-CG 4.42Å; I109-R113 HydrophobicContact CG2-CG 4.29Å; I109-R113 WeakPolarHBondContact O-CB 3.45Å; I109-R113 WeakPolarHBondContact O-CG 3.44Å; I109-R113 PolarHBondContact O-N 2.81Å; N110-R113 PolarHBondContact O-N 2.94Å; M111-R113 VanDerWaalsContact C-N 3.31Å; M111-R113 PolarHBondContact O-N 2.82Å; R113-C115 PolarHBondContact O-N 2.88Å; R113-R116 PolarHBondContact O-N 2.81Å; R113-R116 VanDerWaalsContact O-N 3.13Å; R113-T117 PolarHBondContact O-N 3.49Å; R113-T117 PolarHBondContact O-OG1 3.34Å
114A85.5Confident77.2Confident58 Ų5858.1 Ų58.148%0.47932%0.321SS..Hα-helixtrans-57.3-43.1177.100000110.6N110 M111 R116 T117 S118N110-A114 WeakPolarHBondContact O-CB 3.49Å; N110-A114 PolarHBondContact O-N 3.44Å; M111-A114 PolarHBondContact O-N 3.01Å; A114-R116 PolarHBondContact O-N 3.47Å; A114-T117 PolarHBondContact O-N 3.44Å; A114-S118 PolarHBondContact O-N 3.34Å; A114-S118 PolarHBondContact O-OG 3.26Å; A114-S118 VanDerWaalsContact O-OG 3.09Å
115C86.4Confident74.9Confident22 Ų2261.4 Ų61.415%0.14935%0.347CS..Hα-helixtrans-59.1-47.3175-164.10000112.1L72 Q76 M111 G112 R113 T117 S118 G119L72-C115 HydrophobicContact CD2-CB 4.44Å; L72-C115 WeakPolarHBondContact O-CB 3.46Å; Q76-C115 WeakPolarHBondContact CG-SG 3.47Å; Q76-C115 PolarHBondContact NE2-O 3.37Å; M111-C115 WeakPolarHBondContact O-CB 3.29Å; M111-C115 PolarHBondContact O-N 3.14Å; G112-C115 WeakPolarHBondContact O-CB 3.33Å; G112-C115 PolarHBondContact O-N 2.75Å; R113-C115 PolarHBondContact O-N 2.88Å; C115-T117 PolarHBondContact O-N 3.3Å; C115-S118 PolarHBondContact O-N 3.49Å; C115-G119 PolarHBondContact O-N 2.95Å
116R81.9Confident72.7Confident23 Ų2365.3 Ų65.39%0.08737%0.368CS..Hα-helixtrans-60.8-44.5178.1-173.2179.9-180-164.21.3111.9L72 G112 R113 A114 G119 Q120 S130 A132 D152L72-R116 HydrophobicContact CD1-CB 4.15Å; L72-R116 HydrophobicContact CD2-CB 4.02Å; G112-R116 WeakPolarHBondContact O-CB 3.46Å; G112-R116 PolarHBondContact O-N 2.91Å; R113-R116 PolarHBondContact O-N 2.81Å; R113-R116 VanDerWaalsContact O-N 3.13Å; A114-R116 PolarHBondContact O-N 3.47Å; R116-G119 PolarHBondContact O-N 3.23Å; R116-Q120 WeakPolarHBondContact O-CG 3.29Å; R116-Q120 PolarHBondContact O-N 3.48Å; R116-Q120 VanDerWaalsContact O-N 3.12Å; R116-S130 PolarHBondContact NH2-O 2.9Å; R116-A132 VanDerWaalsContact CZ-CB 3.41Å; R116-A132 VanDerWaalsContact NH1-CB 3.27Å; R116-D152 IonicContact CZ-OD2 3.75Å; R116-D152 IonicContact NH1-OD2 3.35Å; R116-D152 PolarHBondContact NH1-OD2 2.82Å; R116-D152 IonicContact NH2-OD2 3.38Å; R116-D152 PolarHBondContact NH2-OD2 3.06Å
117T73.6Confident70.9Confident86 Ų8667 Ų6753%0.52838%0.381SS..Hα-helixtrans-63.1-44.9178-55.20000111.6R113 A114 C115 G119 Q120 T121R113-T117 PolarHBondContact O-N 3.49Å; R113-T117 PolarHBondContact O-OG1 3.34Å; A114-T117 PolarHBondContact O-N 3.44Å; C115-T117 PolarHBondContact O-N 3.3Å; T117-G119 VanDerWaalsContact C-N 3.28Å; T117-G119 PolarHBondContact O-N 3.35Å; T117-Q120 WeakPolarHBondContact O-CB 3.21Å; T117-Q120 PolarHBondContact O-N 3.3Å; T117-Q120 VanDerWaalsContact O-N 3.11Å; T117-T121 PolarHBondContact O-N 2.87Å; T117-T121 VanDerWaalsContact O-N 3.12Å; T117-T121 PolarHBondContact O-OG1 3.26Å
118S64.4Low69.2Low72 Ų7261.2 Ų61.250%0.50336%0.357SS..Hα-helixtrans-63.6-32.9177.8-59.80000113A114 C115 T121A114-S118 PolarHBondContact O-N 3.34Å; A114-S118 PolarHBondContact O-OG 3.26Å; A114-S118 VanDerWaalsContact O-OG 3.09Å; C115-S118 PolarHBondContact O-N 3.49Å; S118-T121 VanDerWaalsContact C-OG1 3.29Å; S118-T121 WeakPolarHBondContact CA-OG1 3.49Å; S118-T121 PolarHBondContact O-OG1 2.66Å
119G60Low68.1Low20 Ų2063.4 Ų63.421%0.20637%0.374CS..Hα-helixtrans-67.4-37172.500000113.1Q76 C115 R116 T117 F122Q76-G119 VanDerWaalsContact NE2-N 3.2Å; C115-G119 PolarHBondContact O-N 2.95Å; R116-G119 PolarHBondContact O-N 3.23Å; T117-G119 VanDerWaalsContact C-N 3.28Å; T117-G119 PolarHBondContact O-N 3.35Å; G119-F122 PolarHBondContact O-N 3.17Å
120Q58.3Low67.6Low32 Ų3263.7 Ų63.715%0.1538%0.376CS..Hα-helixtrans-68.2-35176.9-71.2171.95.200112.2R116 T117 F122 A123 N124 S130R116-Q120 WeakPolarHBondContact O-CG 3.29Å; R116-Q120 PolarHBondContact O-N 3.48Å; R116-Q120 VanDerWaalsContact O-N 3.12Å; T117-Q120 WeakPolarHBondContact O-CB 3.21Å; T117-Q120 PolarHBondContact O-N 3.3Å; T117-Q120 VanDerWaalsContact O-N 3.11Å; Q120-F122 PolarHBondContact O-N 2.93Å; Q120-A123 PolarHBondContact O-N 3.23Å; Q120-A123 VanDerWaalsContact O-N 3.15Å; Q120-N124 CarbonylContact O-C 3.58Å; Q120-N124 PolarHBondContact O-N 3.1Å; Q120-S130 PolarHBondContact NE2-OG 3.09Å
121T51.7Low67.6Low110 Ų11063.6 Ų63.668%0.67537%0.373SS*.Hα-helixtrans-61.9-23173.732.20000114.1T117 S118T117-T121 PolarHBondContact O-N 2.87Å; T117-T121 VanDerWaalsContact O-N 3.12Å; T117-T121 PolarHBondContact O-OG1 3.26Å; S118-T121 VanDerWaalsContact C-OG1 3.29Å; S118-T121 WeakPolarHBondContact CA-OG1 3.49Å; S118-T121 PolarHBondContact O-OG1 2.66Å
122F46Very low67.7Low199 Ų19958.3 Ų58.387%0.87335%0.347SS*.Hα-helixtrans-87.7-16.9176-102.2-92.6000114.2G119 Q120G119-F122 PolarHBondContact O-N 3.17Å; Q120-F122 PolarHBondContact O-N 2.93Å
123A45.8Very low67.9Low39 Ų3959 Ų5932%0.32235%0.351SS..Hα-helixtrans-141.331.9-166.700000115.2Y65 Q120Y65-A123 HydrophobicContact CE1-CB 4.47Å; Y65-A123 PolarHBondContact OH-O 2.94Å; Q120-A123 PolarHBondContact O-N 3.23Å; Q120-A123 VanDerWaalsContact O-N 3.15Å
124N46.3Very low68.5Low133 Ų13357.5 Ų57.571%0.71135%0.346SS*.  trans87130.1-170.4-65.6-25.9000114.5Q120 N126Q120-N124 CarbonylContact O-C 3.58Å; Q120-N124 PolarHBondContact O-N 3.1Å; N124-N126 PolarHBondContact O-N 3.35Å
125S46.9Very low69.1Low105 Ų10555.7 Ų55.773%0.73433%0.328SS*.SBendtrans-70.210.8-171.654.90000116.1
126N50.1Low69.7Low84 Ų8454.9 Ų54.945%0.44932%0.321SS..  trans-96.1111.9-172.5-128.740.2000111.1N124 S128 C129N124-N126 PolarHBondContact O-N 3.35Å; N126-S128 PolarHBondContact ND2-OG 3.09Å; N126-S128 PolarHBondContact O-N 3.3Å; N126-C129 PolarHBondContact O-N 3.1Å; N126-C129 VanDerWaalsContact O-N 3.13Å
127S53.6Low70.5Confident60 Ų6054.1 Ų54.142%0.4232%0.319SS..G310 helixtrans-55.5-16.5170.954.50000113.4C129S127-C129 VanDerWaalsContact C-N 3.31Å; S127-C129 PolarHBondContact O-N 2.81Å
128S57.4Low71.6Confident11 Ų1151.7 Ų51.78%0.07730%0.303CS..G310 helixtrans-69.9-12.6175.3-48.50000115.7T10 N126 A154 W155T10-S128 WeakPolarHBondContact CG2-OG 3.46Å; T10-S128 WeakPolarHBondContact OG1-CB 3.42Å; T10-S128 PolarHBondContact OG1-OG 3.03Å; N126-S128 PolarHBondContact ND2-OG 3.09Å; N126-S128 PolarHBondContact O-N 3.3Å; S128-A154 WeakPolarHBondContact O-CB 3.37Å; S128-W155 PolarHBondContact O-N 2.55Å
129C71.5Confident73.2Confident67 Ų6750.7 Ų50.745%0.45329%0.288SS..G310 helixtrans-98.41.3-170.4-62.80000114.9Y65 N126 S127Y65-C129 VanDerWaalsContact CD2-O 3.28Å; Y65-C129 WeakPolarHBondContact CD2-O 3.49Å; Y65-C129 HydrophobicContact CE2-CB 4.09Å; N126-C129 PolarHBondContact O-N 3.1Å; N126-C129 VanDerWaalsContact O-N 3.13Å; S127-C129 VanDerWaalsContact C-N 3.31Å; S127-C129 PolarHBondContact O-N 2.81Å
130S81.4Confident74.9Confident6 Ų650.9 Ų50.94%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-141.5131.6-175.467.10000113V63 I64 R116 Q120 A154V63-S130 VanDerWaalsContact CG2-CB 3.48Å; I64-S130 CarbonylContact O-C 3.6Å; I64-S130 WeakPolarHBondContact O-CA 3.43Å; R116-S130 PolarHBondContact NH2-O 2.9Å; Q120-S130 PolarHBondContact NE2-OG 3.09Å; S130-A154 VanDerWaalsContact N-CB 3.31Å; S130-A154 WeakPolarHBondContact O-CB 3.36Å
131H90.9Very high76.5Confident67 Ų6758 Ų5831%0.3132%0.321SS..EExtended strand (participates in β ladder)trans-86.7130.4175.4-49.4-90.2000109.2V63 I64 D152 L153 A154V63-H131 CarbonylContact C-O 3.56Å; V63-H131 WeakPolarHBondContact CA-O 3.35Å; V63-H131 VanDerWaalsContact CG2-O 3.29Å; V63-H131 WeakPolarHBondContact CG2-O 3.39Å; I64-H131 HydrophobicContact CB-CB 4.34Å; I64-H131 PolarHBondContact N-O 3.33Å; I64-H131 PolarHBondContact O-N 3.01Å; H131-D152 CarbonylContact C-O 3.56Å; H131-D152 WeakPolarHBondContact CA-O 3.48Å; H131-L153 HydrophobicContact CB-CD2 4.45Å; H131-L153 WeakPolarHBondContact ND1-CD2 3.28Å; H131-A154 PolarHBondContact CE1-O 2.96Å; H131-A154 PolarHBondContact ND1-N 3.14Å
132A93.3Very high78.3Confident1 Ų155 Ų551%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-106.5140.9175.900000111F61 R116 V151 D152F61-A132 HydrophobicContact CE2-CB 4.06Å; R116-A132 VanDerWaalsContact CZ-CB 3.41Å; R116-A132 VanDerWaalsContact NH1-CB 3.27Å; A132-V151 CarbonylContact O-C 3.54Å; A132-V151 WeakPolarHBondContact O-CA 3.45Å; A132-D152 HydrophobicContact CB-CB 4.34Å; A132-D152 PolarHBondContact N-O 3.22Å; A132-D152 PolarHBondContact O-N 2.68Å
133C96.4Very high80.6Confident13 Ų1355.2 Ų55.29%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-131112.1178.5-174.80000109.2F61 F62F61-C133 WeakPolarHBondContact CD2-O 3.37Å; F62-C133 HydrophobicContact CD1-CB 4.34Å; F62-C133 HydrophobicContact CD2-CB 4.06Å; F62-C133 HydrophobicContact CE1-CB 3.85Å; F62-C133 HydrophobicContact CE2-CB 3.55Å; F62-C133 HydrophobicContact CG-CB 4.44Å; F62-C133 HydrophobicContact CZ-CB 3.44Å; F62-C133 VanDerWaalsContact CZ-CB 3.44Å; F62-C133 VanDerWaalsContact CZ-SG 3.51Å; F62-C133 PolarHBondContact N-O 3.11Å; F62-C133 PolarHBondContact O-N 2.77Å
134F97.4Very high83Confident0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-99.6128.1171.1-179.8-104.2000108.5Y34 V59 T60 F61 V105 I109 I136 L150Y34-F134 HydrophobicContact CD1-CB 3.89Å; Y34-F134 AromaticContact CD1-CD1 3.88Å; Y34-F134 HydrophobicContact CD1-CD1 3.88Å; Y34-F134 HydrophobicContact CD1-CG 4.15Å; Y34-F134 HydrophobicContact CE1-CB 3.72Å; Y34-F134 HydrophobicContact CE1-CG 4.47Å; Y34-F134 HydrophobicContact CE2-CB 4.49Å; Y34-F134 HydrophobicContact CG-CB 4.35Å; Y34-F134 HydrophobicContact CG-CD1 4.11Å; Y34-F134 HydrophobicContact CG-CG 4.31Å; V59-F134 HydrophobicContact CB-CE2 3.93Å; V59-F134 HydrophobicContact CB-CZ 3.86Å; V59-F134 HydrophobicContact CG1-CE2 4.36Å; V59-F134 HydrophobicContact CG1-CZ 3.78Å; V59-F134 HydrophobicContact CG2-CE2 4.33Å; T60-F134 WeakPolarHBondContact O-CD2 3.4Å; F61-F134 HydrophobicContact CB-CD2 3.98Å; F61-F134 HydrophobicContact CD1-CD2 4.1Å; F61-F134 HydrophobicContact CD2-CB 3.92Å; F61-F134 HydrophobicContact CD2-CD2 4.17Å; F61-F134 HydrophobicContact CE2-CB 3.99Å; F61-F134 HydrophobicContact CG-CB 4.46Å; F61-F134 AromaticContact CG-CD2 3.84Å; F61-F134 HydrophobicContact CG-CD2 3.84Å; V105-F134 HydrophobicContact CG1-CE1 4.23Å; V105-F134 HydrophobicContact CG1-CE2 4.42Å; V105-F134 HydrophobicContact CG1-CZ 3.53Å; I109-F134 HydrophobicContact CD1-CZ 4.41Å; I109-F134 HydrophobicContact CG1-CD2 4.43Å; I109-F134 HydrophobicContact CG1-CE2 3.98Å; I109-F134 HydrophobicContact CG1-CZ 4.1Å; F134-I136 HydrophobicContact CD1-CG1 4.33Å; F134-I136 HydrophobicContact CE1-CD1 4.05Å; F134-I136 HydrophobicContact CE1-CG1 3.6Å; F134-I136 HydrophobicContact CZ-CG1 4.27Å; F134-L150 HydrophobicContact CD1-CD1 4.21Å; F134-L150 PolarHBondContact N-O 3.28Å; F134-L150 PolarHBondContact O-N 3.3Å
135Q98.2Very high85.4Confident20 Ų2055.9 Ų55.99%0.09330%0.301CS..EExtended strand (participates in β ladder)trans-118.5139.8179.8-49.1179.4-53.500110.6V59 T60 F62 L137 F148 S149V59-Q135 WeakPolarHBondContact CA-O 3.43Å; T60-Q135 PolarHBondContact N-O 3.46Å; T60-Q135 PolarHBondContact O-N 3.32Å; T60-Q135 VanDerWaalsContact OG1-CB 3.3Å; T60-Q135 WeakPolarHBondContact OG1-CB 3.33Å; T60-Q135 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q135 PolarHBondContact OG1-OE1 3.25Å; F62-Q135 HydrophobicContact CE1-CG 4.16Å; Q135-L137 HydrophobicContact CB-CD1 4.11Å; Q135-F148 WeakPolarHBondContact CA-O 3.45Å; Q135-S149 PolarHBondContact NE2-OG 3.3Å
136I98.3Very high87.7Confident4 Ų451.8 Ų51.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-109.6124.9166.4-56.5169.1000106.9V37 V41 V57 V59 F134 K147 F148V37-I136 HydrophobicContact CB-CD1 4.45Å; V37-I136 HydrophobicContact CG1-CD1 3.74Å; V41-I136 HydrophobicContact CG1-CG2 4.33Å; V41-I136 HydrophobicContact CG2-CD1 4.46Å; V41-I136 HydrophobicContact CG2-CG2 4.48Å; V57-I136 HydrophobicContact CG1-CG2 3.87Å; V59-I136 HydrophobicContact CG1-CG1 4.4Å; F134-I136 HydrophobicContact CD1-CG1 4.33Å; F134-I136 HydrophobicContact CE1-CD1 4.05Å; F134-I136 HydrophobicContact CE1-CG1 3.6Å; F134-I136 HydrophobicContact CZ-CG1 4.27Å; I136-K147 WeakPolarHBondContact O-CA 3.46Å; I136-F148 PolarHBondContact N-O 3.17Å; I136-F148 PolarHBondContact O-N 3.15Å
137L98.2Very high90Very high7 Ų750.9 Ų50.94%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-114.5132.6178.3-54.892.5000108.9Y58 T60 E96 Q135 L144 G146 K147Y58-L137 PolarHBondContact N-O 3.45Å; Y58-L137 PolarHBondContact O-N 3.02Å; T60-L137 HydrophobicContact CG2-CD1 3.76Å; E96-L137 HydrophobicContact CG-CD1 4.48Å; Q135-L137 HydrophobicContact CB-CD1 4.11Å; L137-L144 HydrophobicContact CB-CD1 4Å; L137-L144 HydrophobicContact CD2-CD1 3.91Å; L137-L144 HydrophobicContact CG-CD1 4.42Å; L137-G146 WeakPolarHBondContact CA-O 3.37Å; L137-K147 HydrophobicContact CD2-CD 4.27Å; L137-K147 HydrophobicContact CG-CD 4.46Å; L137-K147 HydrophobicContact CG-CG 4.33Å
138L98.1Very high92.1Very high35 Ų3551 Ų5118%0.18326%0.26CS..EExtended strand (participates in β ladder)trans-104124.9172.2-61.5175.2000107.7V41 L55 E56 V57 H145 G146V41-L138 HydrophobicContact CG1-CD2 3.85Å; L55-L138 HydrophobicContact CD1-CD1 4.3Å; L55-L138 HydrophobicContact CD2-CB 4.5Å; E56-L138 WeakPolarHBondContact O-CA 3.41Å; V57-L138 HydrophobicContact CG2-CD2 3.85Å; L138-H145 HydrophobicContact CB-CB 4.42Å; L138-H145 WeakPolarHBondContact O-CA 3.43Å; L138-H145 WeakPolarHBondContact O-CB 3.42Å; L138-H145 PolarHBondContact O-N 3.06Å; L138-G146 PolarHBondContact N-O 3.46Å; L138-G146 PolarHBondContact O-N 2.87Å; L138-G146 VanDerWaalsContact O-N 3.11Å
139R97.5Very high94Very high52 Ų5251 Ų5120%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-117.2141.2176.1-67.9-176.2175.8-88.3-1.3110.3L55 E56 Y58 E96 G142 R143L55-R139 WeakPolarHBondContact CA-O 3.31Å; E56-R139 PolarHBondContact N-O 3.48Å; E56-R139 PolarHBondContact O-N 3.18Å; Y58-R139 HydrophobicContact CD2-CB 4.17Å; Y58-R139 HydrophobicContact CD2-CG 3.96Å; Y58-R139 HydrophobicContact CE2-CB 4Å; Y58-R139 HydrophobicContact CE2-CG 4.11Å; E96-R139 IonicContact OE1-CZ 3.87Å; E96-R139 IonicContact OE1-NH2 2.79Å; E96-R139 PolarHBondContact OE1-NH2 3.33Å; E96-R139 IonicContact OE2-CZ 3.21Å; E96-R139 IonicContact OE2-NE 2.79Å; E96-R139 PolarHBondContact OE2-NE 2.99Å; E96-R139 IonicContact OE2-NH2 2.82Å; E96-R139 PolarHBondContact OE2-NH2 2.71Å; R139-G142 PolarHBondContact NH1-O 3Å; R139-R143 CarbonylContact C-O 3.6Å; R139-R143 WeakPolarHBondContact CA-O 3.24Å
140A96.1Very high95.3Very high24 Ų2447.8 Ų47.820%0.19824%0.238CC..EExtended strand (participates in β ladder)trans-122.9118.2170.500000107.1L55 G142 R143 H145L55-A140 HydrophobicContact CD2-CB 3.97Å; A140-G142 VanDerWaalsContact C-N 3.26Å; A140-G142 PolarHBondContact O-N 3.35Å; A140-R143 PolarHBondContact N-O 3.01Å; A140-R143 PolarHBondContact O-N 2.91Å; A140-H145 HydrophobicContact CB-CB 4.48Å
141Q91.8Very high96Very high182 Ų18248.3 Ų48.385%0.8524%0.241SC*.THydrogen-bonded Turntrans51.845.8179.9-57.4174.9-16.600112.2R143Q141-R143 PolarHBondContact O-N 3.19Å; Q141-R143 VanDerWaalsContact O-N 3.14Å
142G90Very high96Very high47 Ų4745.1 Ų45.149%0.48523%0.227SC..THydrogen-bonded Turntrans76.1-11.5-178.600000116R139 A140R139-G142 PolarHBondContact NH1-O 3Å; A140-G142 VanDerWaalsContact C-N 3.26Å; A140-G142 PolarHBondContact O-N 3.35Å
143R94.3Very high95.8Very high202 Ų20247 Ų4776%0.76224%0.236SC*.EExtended strand (participates in β ladder)trans-91.1138.7-179.9-58.9179.9107.9148.13.3111R139 A140 Q141 H145R139-R143 CarbonylContact C-O 3.6Å; R139-R143 WeakPolarHBondContact CA-O 3.24Å; A140-R143 PolarHBondContact N-O 3.01Å; A140-R143 PolarHBondContact O-N 2.91Å; Q141-R143 PolarHBondContact O-N 3.19Å; Q141-R143 VanDerWaalsContact O-N 3.14Å; R143-H145 PolarHBondContact O-N 3.2Å; R143-H145 VanDerWaalsContact O-N 3.15Å
144L95.1Very high95.2Very high80 Ų8046.8 Ų46.842%0.41924%0.236SC..EExtended strand (participates in β ladder)trans-65.9113.6176.1-17667.2000110.1L137 G146L137-L144 HydrophobicContact CB-CD1 4Å; L137-L144 HydrophobicContact CD2-CD1 3.91Å; L137-L144 HydrophobicContact CG-CD1 4.42Å; L144-G146 VanDerWaalsContact CD1-O 3.27Å; L144-G146 WeakPolarHBondContact CD1-O 3.22Å
145H96.2Very high93.5Very high107 Ų10756.6 Ų56.650%0.49527%0.273SS..EExtended strand (participates in β ladder)trans-92-42.5176.7-174.580.8000111.3L55 L138 A140 R143L55-H145 HydrophobicContact CD2-CB 3.96Å; L138-H145 HydrophobicContact CB-CB 4.42Å; L138-H145 WeakPolarHBondContact O-CA 3.43Å; L138-H145 WeakPolarHBondContact O-CB 3.42Å; L138-H145 PolarHBondContact O-N 3.06Å; A140-H145 HydrophobicContact CB-CB 4.48Å; R143-H145 PolarHBondContact O-N 3.2Å; R143-H145 VanDerWaalsContact O-N 3.15Å
146G96.3Very high93.2Very high18 Ų1858.4 Ų58.419%0.18628%0.282CS..EExtended strand (participates in β ladder)trans-149.9153.2-17700000112.3L137 L138 L144L137-G146 WeakPolarHBondContact CA-O 3.37Å; L138-G146 PolarHBondContact N-O 3.46Å; L138-G146 PolarHBondContact O-N 2.87Å; L138-G146 VanDerWaalsContact O-N 3.11Å; L144-G146 VanDerWaalsContact CD1-O 3.27Å; L144-G146 WeakPolarHBondContact CD1-O 3.22Å
147K97.3Very high93Very high65 Ų6561.3 Ų61.328%0.28330%0.296SS..EExtended strand (participates in β ladder)trans-142.1129.5172.2-176.917071.5174.30109.5K1 A2 I136 L137K1-K147 CarbonylContact C-O 3.1Å; K1-K147 WeakPolarHBondContact CA-O 3.28Å; A2-K147 PolarHBondContact N-O 3.28Å; I136-K147 WeakPolarHBondContact O-CA 3.46Å; L137-K147 HydrophobicContact CD2-CD 4.27Å; L137-K147 HydrophobicContact CG-CD 4.46Å; L137-K147 HydrophobicContact CG-CG 4.33Å
148F98.1Very high92.7Very high62 Ų6264.3 Ų64.327%0.27231%0.31SS..EExtended strand (participates in β ladder)trans-120.9116172.1-163.4178000109.2A2 C4 V37 Q135 I136 L150A2-F148 HydrophobicContact CB-CD2 3.68Å; A2-F148 HydrophobicContact CB-CE2 3.92Å; A2-F148 HydrophobicContact CB-CG 4.18Å; A2-F148 WeakPolarHBondContact O-CA 3.45Å; C4-F148 HydrophobicContact CB-CE2 3.98Å; C4-F148 HydrophobicContact CB-CZ 4.32Å; V37-F148 HydrophobicContact CG1-CD1 3.72Å; V37-F148 HydrophobicContact CG1-CE1 3.75Å; V37-F148 HydrophobicContact CG2-CE1 4.38Å; Q135-F148 WeakPolarHBondContact CA-O 3.45Å; I136-F148 PolarHBondContact N-O 3.17Å; I136-F148 PolarHBondContact O-N 3.15Å; F148-L150 HydrophobicContact CD2-CD2 4.11Å; F148-L150 HydrophobicContact CE1-CD2 4.22Å; F148-L150 HydrophobicContact CE2-CD2 3.69Å; F148-L150 HydrophobicContact CZ-CD2 3.76Å
149S98.1Very high92.4Very high11 Ų1166 Ų668%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-98.8127.9175.6-53.70000110.3A2 T3 C4 Q135A2-S149 PolarHBondContact O-N 3.2Å; T3-S149 CarbonylContact C-O 3.58Å; T3-S149 VanDerWaalsContact CA-O 3.22Å; T3-S149 WeakPolarHBondContact CA-O 3.32Å; C4-S149 PolarHBondContact N-O 3.46Å; Q135-S149 PolarHBondContact NE2-OG 3.3Å
150L97.5Very high92.1Very high0 Ų066.9 Ų66.90%033%0.325CS..EExtended strand (participates in β ladder)trans-113.1111.9177-60.9174.1000107.5C4 M18 I33 Y34 V37 F134 F148C4-L150 HydrophobicContact CB-CD2 3.75Å; M18-L150 VanDerWaalsContact CE-C 3.48Å; M18-L150 HydrophobicContact CE-CB 3.78Å; I33-L150 HydrophobicContact CG2-CD1 4.27Å; I33-L150 HydrophobicContact CG2-CD2 4.18Å; Y34-L150 HydrophobicContact CD1-CB 3.73Å; Y34-L150 HydrophobicContact CD1-CD1 3.74Å; Y34-L150 HydrophobicContact CD1-CG 4.38Å; Y34-L150 HydrophobicContact CE1-CB 3.55Å; Y34-L150 HydrophobicContact CE1-CD1 4.45Å; V37-L150 HydrophobicContact CB-CD1 4.14Å; V37-L150 HydrophobicContact CG1-CD1 4.27Å; V37-L150 HydrophobicContact CG2-CD1 4.21Å; F134-L150 HydrophobicContact CD1-CD1 4.21Å; F134-L150 PolarHBondContact N-O 3.28Å; F134-L150 PolarHBondContact O-N 3.3Å; F148-L150 HydrophobicContact CD2-CD2 4.11Å; F148-L150 HydrophobicContact CE1-CD2 4.22Å; F148-L150 HydrophobicContact CE2-CD2 3.69Å; F148-L150 HydrophobicContact CZ-CD2 3.76Å
151V96.3Very high91.8Very high17 Ų1769.7 Ų69.710%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-114.8116.9-166.8-173.40000111.4T3 C4 F5 A6 M18 A132 L153T3-V151 HydrophobicContact CG2-CG2 3.97Å; C4-V151 PolarHBondContact O-N 2.68Å; F5-V151 WeakPolarHBondContact CA-O 3.22Å; F5-V151 HydrophobicContact CD1-CB 3.61Å; F5-V151 HydrophobicContact CD1-CG1 3.82Å; F5-V151 HydrophobicContact CD1-CG2 4.1Å; F5-V151 HydrophobicContact CE1-CB 3.93Å; F5-V151 HydrophobicContact CE1-CG1 4.02Å; F5-V151 HydrophobicContact CE1-CG2 3.93Å; F5-V151 HydrophobicContact CG-CB 4.45Å; A6-V151 PolarHBondContact N-O 2.81Å; M18-V151 VanDerWaalsContact CE-N 3.28Å; A132-V151 CarbonylContact O-C 3.54Å; A132-V151 WeakPolarHBondContact O-CA 3.45Å; V151-L153 HydrophobicContact CG1-CD2 3.61Å; V151-L153 HydrophobicContact CG1-CG 4.1Å
152D92.7Very high91.8Very high1 Ų161.7 Ų61.71%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-95.7103.3172.2174.434.9000109K14 T15 M18 R116 H131 A132K14-D152 WeakPolarHBondContact CB-OD1 3.47Å; T15-D152 PolarHBondContact N-OD1 3.34Å; T15-D152 PolarHBondContact OG1-OD1 3.45Å; T15-D152 PolarHBondContact OG1-OD2 3.14Å; M18-D152 HydrophobicContact CB-CB 4.29Å; M18-D152 HydrophobicContact CG-CB 4.16Å; R116-D152 IonicContact CZ-OD2 3.75Å; R116-D152 IonicContact NH1-OD2 3.35Å; R116-D152 PolarHBondContact NH1-OD2 2.82Å; R116-D152 IonicContact NH2-OD2 3.38Å; R116-D152 PolarHBondContact NH2-OD2 3.06Å; H131-D152 CarbonylContact C-O 3.56Å; H131-D152 WeakPolarHBondContact CA-O 3.48Å; A132-D152 HydrophobicContact CB-CB 4.34Å; A132-D152 PolarHBondContact N-O 3.22Å; A132-D152 PolarHBondContact O-N 2.68Å
153L88.8Confident91.9Very high39 Ų3962.8 Ų62.820%0.20428%0.282CS..  trans-81.8134.2-174.7-64.7173.7000111.7F5 A6 Y7 K14 H131 V151F5-L153 HydrophobicContact CB-CD1 4.43Å; F5-L153 HydrophobicContact CD1-CD1 4.04Å; F5-L153 HydrophobicContact CD1-CD2 4.39Å; F5-L153 HydrophobicContact CD1-CG 4.3Å; A6-L153 WeakPolarHBondContact O-CB 3.49Å; A6-L153 PolarHBondContact O-N 3.25Å; Y7-L153 HydrophobicContact CD2-CD1 3.95Å; K14-L153 WeakPolarHBondContact CD-O 3.11Å; K14-L153 WeakPolarHBondContact CE-O 3.28Å; H131-L153 HydrophobicContact CB-CD2 4.45Å; H131-L153 WeakPolarHBondContact ND1-CD2 3.28Å; V151-L153 HydrophobicContact CG1-CD2 3.61Å; V151-L153 HydrophobicContact CG1-CG 4.1Å
154A82.9Confident91.7Very high10 Ų1051.3 Ų51.38%0.08324%0.242CC..  trans-74.8163.5159.800000111.8S128 S130 H131S128-A154 WeakPolarHBondContact O-CB 3.37Å; S130-A154 VanDerWaalsContact N-CB 3.31Å; S130-A154 WeakPolarHBondContact O-CB 3.36Å; H131-A154 PolarHBondContact CE1-O 2.96Å; H131-A154 PolarHBondContact ND1-N 3.14Å
155W61.5Low91.4Very high205 Ų20548.6 Ų48.678%0.77723%0.226SC*.  trans-111.90174.6-134.379.9000109S128S128-W155 PolarHBondContact O-N 2.55Å

Retrieved 155 of 155 residues in 335.6 ms (Link to these results)

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