A0A077ZIK7_TRITR Loading...

EGF CA and hEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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
1M70.2Confident89.4Confident111 Ų11170.9 Ų70.955%0.54742%0.415SS..  0131.30178166.7-171.700106.5E28 A29M1-E28 HydrophobicContact CE-CB 3.78Å; M1-E28 HydrophobicContact CE-CG 3.63Å; M1-E28 WeakPolarHBondContact CE-O 3.38Å; M1-E28 HydrophobicContact SD-CG 4.37Å; M1-A29 VanDerWaalsContact CE-CA 3.49Å; M1-A29 HydrophobicContact CE-CB 3.57Å
2D86.5Confident88.8Confident131 Ų13181.8 Ų81.870%0.70146%0.459SS*.  trans-107.3123.4-172.3-63-11.6000109.8V4D2-V4 PolarHBondContact O-N 3.14Å
3C92.4Very high87.9Confident19 Ų1987.7 Ų87.713%0.12848%0.477CS..  trans-82.286.7177.7-45.30000109N5 G6 C8 C19C3-N5 PolarHBondContact O-N 3.27Å; C3-G6 WeakPolarHBondContact CB-O 3.45Å; C3-C8 HydrophobicContact CB-CB 4.31Å; C3-C8 WeakPolarHBondContact CB-SG 3.09Å; C3-C8 WeakPolarHBondContact SG-CA 3.48Å; C3-C8 WeakPolarHBondContact SG-CB 3.43Å; C3-C8 PolarHBondContact SG-N 3.47Å; C3-C8 VanDerWaalsContact SG-N 3.35Å; C3-C8 CovalentContact SG-SG 2.03Å; C3-C8 PolarHBondContact SG-SG 2.97Å; C3-C19 HydrophobicContact CB-CB 4.03Å; C3-C19 PolarHBondContact SG-SG 2.75Å
4V94.5Very high86.6Confident93 Ų9390.4 Ų90.456%0.56450%0.497SS*.THydrogen-bonded Turntrans-62.2-50.8-168.2179.60000112.1D2 A29 T31D2-V4 PolarHBondContact O-N 3.14Å; V4-A29 PolarHBondContact N-O 3.32Å; V4-A29 VanDerWaalsContact N-O 3.12Å; V4-T31 HydrophobicContact CB-CG2 3.89Å; V4-T31 HydrophobicContact CG2-CG2 3.58Å
5N94.2Very high85.8Confident42 Ų4298.5 Ų98.523%0.22553%0.526CS..THydrogen-bonded Turntrans-119.449.4174.9-55.6-68.3000110.8C3 Y22 W25 C30C3-N5 PolarHBondContact O-N 3.27Å; N5-Y22 HydrophobicContact CB-CD2 4.35Å; N5-Y22 VanDerWaalsContact O-CD2 3.24Å; N5-Y22 WeakPolarHBondContact O-CD2 3.1Å; N5-Y22 PolarHBondContact O-N 3.38Å; N5-W25 HydrophobicContact CB-CB 4.11Å; N5-W25 HydrophobicContact CB-CD2 3.48Å; N5-W25 VanDerWaalsContact CB-CD2 3.48Å; N5-W25 HydrophobicContact CB-CE3 4.18Å; N5-W25 HydrophobicContact CB-CG 3.4Å; N5-W25 HydrophobicContact CB-CZ2 4.44Å; N5-W25 VanDerWaalsContact ND2-CD2 3.29Å; N5-W25 VanDerWaalsContact ND2-CE3 3.25Å; N5-W25 WeakPolarHBondContact ND2-CH2 3.46Å; N5-W25 WeakPolarHBondContact ND2-CZ2 3.32Å; N5-W25 VanDerWaalsContact ND2-CZ3 3.32Å; N5-W25 WeakPolarHBondContact ND2-CZ3 3.46Å; N5-C30 HydrophobicContact CB-CB 4.45Å; N5-C30 WeakPolarHBondContact CB-O 3.3Å; N5-C30 PolarHBondContact N-O 3.39Å; N5-C30 PolarHBondContact ND2-O 2.81Å; N5-C30 VanDerWaalsContact ND2-O 3.16Å; N5-C30 WeakPolarHBondContact O-CB 3.48Å
6G94.6Very high85.6Confident9 Ų997.4 Ų97.49%0.09352%0.517CS..EExtended strand (participates in β ladder)trans-161.3176.7178.700000112.6C3 K20C3-G6 WeakPolarHBondContact CB-O 3.45Å; G6-K20 CarbonylContact C-O 3.5Å; G6-K20 WeakPolarHBondContact CA-O 3.08Å
7L95Very high85.5Confident95 Ų9596.2 Ų96.250%0.49751%0.514SS..EExtended strand (participates in β ladder)trans-97.8127.9175.3-65.8170000109.6V9 K20 Y22L7-V9 PolarHBondContact O-N 3.29Å; L7-K20 PolarHBondContact N-O 3.3Å; L7-K20 PolarHBondContact O-N 2.03Å; L7-Y22 HydrophobicContact CD1-CE1 4.22Å; L7-Y22 HydrophobicContact CD2-CE1 4.28Å; L7-Y22 VanDerWaalsContact CD2-OH 3.25Å; L7-Y22 WeakPolarHBondContact CD2-OH 3.42Å; L7-Y22 HydrophobicContact CG-CE1 3.79Å
8C92.3Very high85.8Confident77 Ų7794.8 Ų94.852%0.5250%0.504SS..EExtended strand (participates in β ladder)trans-76.5119.8169.8-60.40000109.1C3C3-C8 HydrophobicContact CB-CB 4.31Å; C3-C8 WeakPolarHBondContact CB-SG 3.09Å; C3-C8 WeakPolarHBondContact SG-CA 3.48Å; C3-C8 WeakPolarHBondContact SG-CB 3.43Å; C3-C8 PolarHBondContact SG-N 3.47Å; C3-C8 VanDerWaalsContact SG-N 3.35Å; C3-C8 CovalentContact SG-SG 2.03Å; C3-C8 PolarHBondContact SG-SG 2.97Å
9V91.8Very high86.3Confident40 Ų4091 Ų9124%0.24249%0.485CS..EExtended strand (participates in β ladder)trans-120.3139.3175.4-55.40000109.7L7 V17 E18 K20L7-V9 PolarHBondContact O-N 3.29Å; V9-V17 WeakPolarHBondContact O-CA 3.21Å; V9-E18 HydrophobicContact CG2-CG 3.27Å; V9-E18 WeakPolarHBondContact CG2-OE1 3.02Å; V9-E18 PolarHBondContact N-O 3.21Å; V9-E18 PolarHBondContact O-N 3.32Å; V9-K20 HydrophobicContact CG1-CD 4.19Å; V9-K20 HydrophobicContact CG1-CG 4.48Å; V9-K20 HydrophobicContact CG2-CD 4.08Å; V9-K20 HydrophobicContact CG2-CG 4.01Å
10A87.8Confident86.7Confident87 Ų8792.5 Ų92.572%0.71949%0.487SS*.EExtended strand (participates in β ladder)trans-73.1133.4175.700000109.5
11K83.9Confident87.1Confident76 Ų7690.3 Ų90.333%0.3348%0.479SS..  trans-80.8166171.1-77171.6149.9165.20110.5K13 E16 E18K11-K13 PolarHBondContact O-N 2.85Å; K11-E16 HydrophobicContact CB-CB 4.06Å; K11-E16 HydrophobicContact CB-CG 4.46Å; K11-E16 WeakPolarHBondContact CB-O 3.48Å; K11-E16 HydrophobicContact CD-CB 4.1Å; K11-E16 HydrophobicContact CD-CG 3.57Å; K11-E16 WeakPolarHBondContact CD-OE1 3Å; K11-E16 WeakPolarHBondContact CE-OE1 3.34Å; K11-E16 PolarHBondContact N-O 2.97Å; K11-E16 IonicContact NZ-OE1 2.68Å; K11-E16 PolarHBondContact NZ-OE1 3.04Å; K11-E18 HydrophobicContact CD-CB 3.99Å; K11-E18 HydrophobicContact CD-CG 4.35Å; K11-E18 WeakPolarHBondContact CE-OE2 3.42Å; K11-E18 HydrophobicContact CG-CB 4.06Å; K11-E18 HydrophobicContact CG-CG 3.88Å
12E82.6Confident88.3Confident202 Ų20290.7 Ų90.794%0.94448%0.475SS*.SBendtrans-59.4-30.6-179.8-64.7-177.8162.900113V14E12-V14 PolarHBondContact O-N 2.76Å
13K77.2Confident88.6Confident158 Ų15892.2 Ų92.269%0.68748%0.48SS*.SBendtrans-77.8113.8170.9-69.1-175.6-177.9175.40109.2K11 F15 E16K11-K13 PolarHBondContact O-N 2.85Å; K13-F15 PolarHBondContact O-N 3.35Å; K13-E16 HydrophobicContact CB-CB 4.39Å; K13-E16 PolarHBondContact O-N 3.26Å
14V69.7Low88.6Confident126 Ų12691.5 Ų91.576%0.76448%0.476SS*.THydrogen-bonded Turntrans-48.4126.4171.6-171.10000108.4E12E12-V14 PolarHBondContact O-N 2.76Å
15F73.8Confident88.7Confident211 Ų21188.1 Ų88.193%0.92545%0.453SS*.THydrogen-bonded Turntrans86.3-0.9-174-53.8-77000118.3K13K13-F15 PolarHBondContact O-N 3.35Å
16E82.8Confident88.7Confident82 Ų8287.7 Ų87.738%0.38345%0.453SS..  trans-102.6132.3171.5-158-173.5160.600110.8K11 K13K11-E16 HydrophobicContact CB-CB 4.06Å; K11-E16 HydrophobicContact CB-CG 4.46Å; K11-E16 WeakPolarHBondContact CB-O 3.48Å; K11-E16 HydrophobicContact CD-CB 4.1Å; K11-E16 HydrophobicContact CD-CG 3.57Å; K11-E16 WeakPolarHBondContact CD-OE1 3Å; K11-E16 WeakPolarHBondContact CE-OE1 3.34Å; K11-E16 PolarHBondContact N-O 2.97Å; K11-E16 IonicContact NZ-OE1 2.68Å; K11-E16 PolarHBondContact NZ-OE1 3.04Å; K13-E16 HydrophobicContact CB-CB 4.39Å; K13-E16 PolarHBondContact O-N 3.26Å
17V84.9Confident88.7Confident77 Ų7789.1 Ų89.147%0.46747%0.468SS..EExtended strand (participates in β ladder)trans-118146.9174.6-65.50000109.2V9V9-V17 WeakPolarHBondContact O-CA 3.21Å
18E90.8Very high88.6Confident70 Ų7092.5 Ų92.533%0.32748%0.481SS..EExtended strand (participates in β ladder)trans-125.8150.5170.966.6177.9-163.900110.8V9 K11 K20V9-E18 HydrophobicContact CG2-CG 3.27Å; V9-E18 WeakPolarHBondContact CG2-OE1 3.02Å; V9-E18 PolarHBondContact N-O 3.21Å; V9-E18 PolarHBondContact O-N 3.32Å; K11-E18 HydrophobicContact CD-CB 3.99Å; K11-E18 HydrophobicContact CD-CG 4.35Å; K11-E18 WeakPolarHBondContact CE-OE2 3.42Å; K11-E18 HydrophobicContact CG-CB 4.06Å; K11-E18 HydrophobicContact CG-CG 3.88Å; E18-K20 WeakPolarHBondContact OE1-CE 3.49Å
19C94.8Very high88.7Confident23 Ų2390 Ų9016%0.15547%0.466CS..EExtended strand (participates in β ladder)trans-94.8121.5174.9-490000109.6C3 E28 C30C3-C19 HydrophobicContact CB-CB 4.03Å; C3-C19 PolarHBondContact SG-SG 2.75Å; C19-E28 VanDerWaalsContact CB-O 3.22Å; C19-E28 WeakPolarHBondContact CB-O 3.04Å; C19-E28 PolarHBondContact SG-O 2.91Å; C19-C30 WeakPolarHBondContact CB-SG 3.38Å
20K95.1Very high88.9Confident121 Ų12188 Ų8853%0.52645%0.454SS..EExtended strand (participates in β ladder)trans-92.9104.4165.9-71.6-173.2175.31760109.1G6 L7 V9 E18G6-K20 CarbonylContact C-O 3.5Å; G6-K20 WeakPolarHBondContact CA-O 3.08Å; L7-K20 PolarHBondContact N-O 3.3Å; L7-K20 PolarHBondContact O-N 2.03Å; V9-K20 HydrophobicContact CG1-CD 4.19Å; V9-K20 HydrophobicContact CG1-CG 4.48Å; V9-K20 HydrophobicContact CG2-CD 4.08Å; V9-K20 HydrophobicContact CG2-CG 4.01Å; E18-K20 WeakPolarHBondContact OE1-CE 3.49Å
21C95.4Very high89.2Confident47 Ų4787.7 Ų87.732%0.31844%0.443SS..EExtended strand (participates in β ladder)trans-70.5144.2-174-52.80000112.6W25 C30C21-W25 HydrophobicContact CB-CB 4Å; C21-W25 WeakPolarHBondContact CB-O 3.32Å; C21-C30 WeakPolarHBondContact CA-SG 3.46Å; C21-C30 HydrophobicContact CB-CB 3.7Å; C21-C30 WeakPolarHBondContact CB-SG 3.32Å; C21-C30 PolarHBondContact N-SG 2.94Å; C21-C30 VanDerWaalsContact N-SG 3.4Å; C21-C30 WeakPolarHBondContact SG-CA 3.15Å; C21-C30 WeakPolarHBondContact SG-CB 3.06Å; C21-C30 CovalentContact SG-SG 2.04Å; C21-C30 PolarHBondContact SG-SG 3.02Å
22Y95Very high89.7Confident119 Ų11987.6 Ų87.647%0.46745%0.449SS..PPolyproline II helixtrans-66.5161.9167.3-58.8-47.3000110.4N5 L7 W25N5-Y22 HydrophobicContact CB-CD2 4.35Å; N5-Y22 VanDerWaalsContact O-CD2 3.24Å; N5-Y22 WeakPolarHBondContact O-CD2 3.1Å; N5-Y22 PolarHBondContact O-N 3.38Å; L7-Y22 HydrophobicContact CD1-CE1 4.22Å; L7-Y22 HydrophobicContact CD2-CE1 4.28Å; L7-Y22 VanDerWaalsContact CD2-OH 3.25Å; L7-Y22 WeakPolarHBondContact CD2-OH 3.42Å; L7-Y22 HydrophobicContact CG-CE1 3.79Å; Y22-W25 PolarHBondContact O-N 3.28Å; Y22-W25 VanDerWaalsContact O-N 3.12Å
23M91.2Very high90.3Very high162 Ų16280.6 Ų80.680%0.79842%0.418SS*.THydrogen-bonded Turntrans-53.6143171.965.5-179.771.400110.4W25M23-W25 VanDerWaalsContact C-N 3.34Å; M23-W25 VanDerWaalsContact O-CD1 3.31Å
24G93.6Very high91.2Very high4 Ų476.3 Ų76.34%0.04140%0.399CS..THydrogen-bonded Turntrans89-12.5-171.700000115.2K34 E36G24-K34 PolarHBondContact O-N 3.16Å; G24-E36 VanDerWaalsContact CA-OE1 3.24Å; G24-E36 WeakPolarHBondContact CA-OE1 3.33Å
25W96.7Very high92.4Very high23 Ų2372.3 Ų72.39%0.08737%0.374CS..EExtended strand (participates in β ladder)trans-124.4148-169.6-6194000114.1N5 C21 Y22 M23 C30 V32 D33 K34 K54N5-W25 HydrophobicContact CB-CB 4.11Å; N5-W25 HydrophobicContact CB-CD2 3.48Å; N5-W25 VanDerWaalsContact CB-CD2 3.48Å; N5-W25 HydrophobicContact CB-CE3 4.18Å; N5-W25 HydrophobicContact CB-CG 3.4Å; N5-W25 HydrophobicContact CB-CZ2 4.44Å; N5-W25 VanDerWaalsContact ND2-CD2 3.29Å; N5-W25 VanDerWaalsContact ND2-CE3 3.25Å; N5-W25 WeakPolarHBondContact ND2-CH2 3.46Å; N5-W25 WeakPolarHBondContact ND2-CZ2 3.32Å; N5-W25 VanDerWaalsContact ND2-CZ3 3.32Å; N5-W25 WeakPolarHBondContact ND2-CZ3 3.46Å; C21-W25 HydrophobicContact CB-CB 4Å; C21-W25 WeakPolarHBondContact CB-O 3.32Å; Y22-W25 PolarHBondContact O-N 3.28Å; Y22-W25 VanDerWaalsContact O-N 3.12Å; M23-W25 VanDerWaalsContact C-N 3.34Å; M23-W25 VanDerWaalsContact O-CD1 3.31Å; W25-C30 HydrophobicContact CB-CB 4.43Å; W25-V32 CarbonylContact C-O 3.57Å; W25-V32 WeakPolarHBondContact CA-O 3.35Å; W25-D33 HydrophobicContact CH2-CB 4.43Å; W25-D33 HydrophobicContact CZ3-CB 4.02Å; W25-K34 WeakPolarHBondContact O-CE 3.49Å; W25-K54 HydrophobicContact CH2-CD 4.09Å; W25-K54 VanDerWaalsContact CH2-CE 3.42Å; W25-K54 HydrophobicContact CH2-CG 3.5Å; W25-K54 VanDerWaalsContact CH2-CG 3.5Å; W25-K54 HydrophobicContact CZ2-CG 3.9Å
26S95Very high93.4Very high33 Ų3363.4 Ų63.423%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-145.9-178.5177.370.30000112.1C30 T31 V32S26-C30 CarbonylContact O-C 3.47Å; S26-C30 VanDerWaalsContact O-CA 3.27Å; S26-C30 WeakPolarHBondContact O-CA 3.01Å; S26-T31 PolarHBondContact O-N 3.34Å; S26-V32 PolarHBondContact N-O 3.31Å; S26-V32 WeakPolarHBondContact O-CB 3.43Å; S26-V32 PolarHBondContact O-N 3.49Å; S26-V32 WeakPolarHBondContact OG-CB 3.41Å; S26-V32 WeakPolarHBondContact OG-CG1 2.99Å; S26-V32 PolarHBondContact OG-O 2.87Å
27G93.6Very high94Very high39 Ų3961.3 Ų61.340%0.40233%0.329SS..SBendtrans86.6161.1-17600000112.7A29 C30G27-A29 PolarHBondContact O-N 2.93Å; G27-C30 PolarHBondContact O-N 3.4Å
28E92.3Very high94.4Very high165 Ų16567.8 Ų67.877%0.77135%0.345SS*.THydrogen-bonded Turntrans-58.2-34.7-173.6-156.9-168.3160.100112.3M1 C19M1-E28 HydrophobicContact CE-CB 3.78Å; M1-E28 HydrophobicContact CE-CG 3.63Å; M1-E28 WeakPolarHBondContact CE-O 3.38Å; M1-E28 HydrophobicContact SD-CG 4.37Å; C19-E28 VanDerWaalsContact CB-O 3.22Å; C19-E28 WeakPolarHBondContact CB-O 3.04Å; C19-E28 PolarHBondContact SG-O 2.91Å
29A94.3Very high94.6Very high24 Ų2470.6 Ų70.620%0.19836%0.358CS..THydrogen-bonded Turntrans-99.46.217800000114.3M1 V4 G27 T31M1-A29 VanDerWaalsContact CE-CA 3.49Å; M1-A29 HydrophobicContact CE-CB 3.57Å; V4-A29 PolarHBondContact N-O 3.32Å; V4-A29 VanDerWaalsContact N-O 3.12Å; G27-A29 PolarHBondContact O-N 2.93Å; A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 HydrophobicContact CB-CG2 3.95Å; A29-T31 PolarHBondContact O-N 3.41Å
30C95.7Very high94.4Very high0 Ų072.8 Ų72.80%037%0.371CS..SBendtrans55.339.1-173.3-52.50000113.9N5 C19 C21 W25 S26 G27N5-C30 HydrophobicContact CB-CB 4.45Å; N5-C30 WeakPolarHBondContact CB-O 3.3Å; N5-C30 PolarHBondContact N-O 3.39Å; N5-C30 PolarHBondContact ND2-O 2.81Å; N5-C30 VanDerWaalsContact ND2-O 3.16Å; N5-C30 WeakPolarHBondContact O-CB 3.48Å; C19-C30 WeakPolarHBondContact CB-SG 3.38Å; C21-C30 WeakPolarHBondContact CA-SG 3.46Å; C21-C30 HydrophobicContact CB-CB 3.7Å; C21-C30 WeakPolarHBondContact CB-SG 3.32Å; C21-C30 PolarHBondContact N-SG 2.94Å; C21-C30 VanDerWaalsContact N-SG 3.4Å; C21-C30 WeakPolarHBondContact SG-CA 3.15Å; C21-C30 WeakPolarHBondContact SG-CB 3.06Å; C21-C30 CovalentContact SG-SG 2.04Å; C21-C30 PolarHBondContact SG-SG 3.02Å; W25-C30 HydrophobicContact CB-CB 4.43Å; S26-C30 CarbonylContact O-C 3.47Å; S26-C30 VanDerWaalsContact O-CA 3.27Å; S26-C30 WeakPolarHBondContact O-CA 3.01Å; G27-C30 PolarHBondContact O-N 3.4Å
31T95.1Very high94.3Very high79 Ų7975.2 Ų75.249%0.48538%0.382SS..  trans-105-10.3-179.954.30000113.4V4 S26 A29V4-T31 HydrophobicContact CB-CG2 3.89Å; V4-T31 HydrophobicContact CG2-CG2 3.58Å; S26-T31 PolarHBondContact O-N 3.34Å; A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 HydrophobicContact CB-CG2 3.95Å; A29-T31 PolarHBondContact O-N 3.41Å
32V95.2Very high94.3Very high75 Ų7576.7 Ų76.746%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-90.2116.4179.9-178.70000107.9W25 S26W25-V32 CarbonylContact C-O 3.57Å; W25-V32 WeakPolarHBondContact CA-O 3.35Å; S26-V32 PolarHBondContact N-O 3.31Å; S26-V32 WeakPolarHBondContact O-CB 3.43Å; S26-V32 PolarHBondContact O-N 3.49Å; S26-V32 WeakPolarHBondContact OG-CB 3.41Å; S26-V32 WeakPolarHBondContact OG-CG1 2.99Å; S26-V32 PolarHBondContact OG-O 2.87Å
33D95Very high94.3Very high55 Ų5572.3 Ų72.329%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-68.1128.2171.5-160.737.7000108.8W25 K54 G55W25-D33 HydrophobicContact CH2-CB 4.43Å; W25-D33 HydrophobicContact CZ3-CB 4.02Å; D33-K54 WeakPolarHBondContact OD2-CA 3.47Å; D33-G55 WeakPolarHBondContact OD1-CA 3.05Å; D33-G55 PolarHBondContact OD1-N 3.43Å
34K95.3Very high94.6Very high68 Ų6864.8 Ų64.830%0.29633%0.334SS..PPolyproline II helixtrans-79.7132.8175.9-73.5-179174.3173.80108.4G24 W25 E36G24-K34 PolarHBondContact O-N 3.16Å; W25-K34 WeakPolarHBondContact O-CE 3.49Å; K34-E36 VanDerWaalsContact CB-OE1 3.29Å; K34-E36 WeakPolarHBondContact CB-OE1 3.48Å; K34-E36 PolarHBondContact O-N 3.39Å
35D95Very high94.6Very high42 Ų4266.3 Ų66.323%0.22534%0.344CS..  trans-87.482.4169.8-173.7-29.8000108C37 R38 E39 D52D35-C37 PolarHBondContact O-N 3.16Å; D35-C37 PolarHBondContact OD1-N 2.72Å; D35-R38 HydrophobicContact CB-CB 4.28Å; D35-R38 PolarHBondContact O-N 2.95Å; D35-R38 VanDerWaalsContact O-N 3.1Å; D35-R38 WeakPolarHBondContact OD1-CB 3.21Å; D35-R38 WeakPolarHBondContact OD1-CG 3.39Å; D35-R38 PolarHBondContact OD1-N 3.41Å; D35-R38 WeakPolarHBondContact OD2-CD 3.35Å; D35-R38 VanDerWaalsContact OD2-CG 3.27Å; D35-R38 WeakPolarHBondContact OD2-CG 3.28Å; D35-R38 IonicContact OD2-CZ 3.55Å; D35-R38 IonicContact OD2-NE 3.05Å; D35-R38 PolarHBondContact OD2-NE 3.41Å; D35-E39 WeakPolarHBondContact O-CB 3.29Å; D35-E39 WeakPolarHBondContact O-CG 3.4Å; D35-E39 PolarHBondContact O-N 2.96Å; D35-D52 WeakPolarHBondContact CA-OD2 3.45Å
36E94.8Very high94.6Very high23 Ų2372.9 Ų72.911%0.10737%0.373CS..Hα-helixtrans-60.2-31.7-175.7-84.694.5-160.700111.9G24 K34 R38 E39 T40 L43 D52 Y57G24-E36 VanDerWaalsContact CA-OE1 3.24Å; G24-E36 WeakPolarHBondContact CA-OE1 3.33Å; K34-E36 VanDerWaalsContact CB-OE1 3.29Å; K34-E36 WeakPolarHBondContact CB-OE1 3.48Å; K34-E36 PolarHBondContact O-N 3.39Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.83Å; E36-E39 PolarHBondContact O-N 3.11Å; E36-T40 WeakPolarHBondContact O-CB 3.26Å; E36-T40 PolarHBondContact O-N 3.26Å; E36-L43 HydrophobicContact CB-CD2 3.8Å; E36-D52 PolarHBondContact N-OD1 3.09Å; E36-D52 VanDerWaalsContact N-OD1 3.09Å; E36-Y57 HydrophobicContact CB-CD1 4.25Å; E36-Y57 HydrophobicContact CB-CG 4.23Å; E36-Y57 HydrophobicContact CG-CD1 4.14Å
37C95.2Very high94.7Very high39 Ų3973.2 Ų73.226%0.26437%0.372SS..Hα-helixtrans-65.8-31.7178.4-62.30000113D35 C50 S51D35-C37 PolarHBondContact O-N 3.16Å; D35-C37 PolarHBondContact OD1-N 2.72Å; C37-C50 WeakPolarHBondContact CA-SG 3.16Å; C37-C50 HydrophobicContact CB-CB 3.76Å; C37-C50 WeakPolarHBondContact CB-SG 3.47Å; C37-C50 VanDerWaalsContact SG-C 3.5Å; C37-C50 WeakPolarHBondContact SG-CB 3.01Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.48Å; C37-S51 PolarHBondContact SG-N 2.97Å
38R94.4Very high94.9Very high213 Ų21372.2 Ų72.280%0.80436%0.362SS*.Hα-helixtrans-89.9-34.5174.8-69.5-175.8-163-175-0.8113D35 E36D35-R38 HydrophobicContact CB-CB 4.28Å; D35-R38 PolarHBondContact O-N 2.95Å; D35-R38 VanDerWaalsContact O-N 3.1Å; D35-R38 WeakPolarHBondContact OD1-CB 3.21Å; D35-R38 WeakPolarHBondContact OD1-CG 3.39Å; D35-R38 PolarHBondContact OD1-N 3.41Å; D35-R38 WeakPolarHBondContact OD2-CD 3.35Å; D35-R38 VanDerWaalsContact OD2-CG 3.27Å; D35-R38 WeakPolarHBondContact OD2-CG 3.28Å; D35-R38 IonicContact OD2-CZ 3.55Å; D35-R38 IonicContact OD2-NE 3.05Å; D35-R38 PolarHBondContact OD2-NE 3.41Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.83Å
39E93.1Very high95.2Very high129 Ų12968.7 Ų68.760%0.60335%0.352SS*.Hα-helixtrans-76.5-35.8-176.7-70.6-173-174.900112.4D35 E36D35-E39 WeakPolarHBondContact O-CB 3.29Å; D35-E39 WeakPolarHBondContact O-CG 3.4Å; D35-E39 PolarHBondContact O-N 2.96Å; E36-E39 PolarHBondContact O-N 3.11Å
40T92.3Very high95.3Very high68 Ų6869.3 Ų69.342%0.41735%0.354SS..SBendtrans-110.3103.4-179.1-54.30000111E36 D42 L43E36-T40 WeakPolarHBondContact O-CB 3.26Å; E36-T40 PolarHBondContact O-N 3.26Å; T40-D42 PolarHBondContact O-N 2.83Å; T40-L43 HydrophobicContact CG2-CB 4.04Å; T40-L43 HydrophobicContact CG2-CD1 3.98Å; T40-L43 WeakPolarHBondContact O-CB 3.42Å; T40-L43 PolarHBondContact O-N 2.82Å
41K92.9Very high95.4Very high173 Ų17371.9 Ų71.975%0.75237%0.372SS*.THydrogen-bonded Turntrans-63136.3176.6-174.3-179.5175.9-177.80111.1L43K41-L43 PolarHBondContact O-N 3.38Å
42D93.9Very high95.4Very high78 Ų7870.4 Ų70.442%0.41736%0.361SS..THydrogen-bonded Turntrans57.730.3179.5-57.9-51.8000112.9T40 C44 S45 K46T40-D42 PolarHBondContact O-N 2.83Å; D42-C44 VanDerWaalsContact C-N 3.34Å; D42-C44 PolarHBondContact O-N 2.82Å; D42-S45 VanDerWaalsContact O-CA 3.25Å; D42-S45 WeakPolarHBondContact O-CA 3.45Å; D42-S45 PolarHBondContact O-N 2.03Å; D42-K46 VanDerWaalsContact OD1-CE 3.29Å; D42-K46 WeakPolarHBondContact OD1-CE 3.28Å; D42-K46 IonicContact OD1-NZ 2.9Å
43L95.6Very high95.3Very high26 Ų2669.6 Ų69.614%0.13636%0.358CS..THydrogen-bonded Turntrans-53.9-44.7178.9178.760.2000113.3E36 T40 K41 S45 Y57 N69E36-L43 HydrophobicContact CB-CD2 3.8Å; T40-L43 HydrophobicContact CG2-CB 4.04Å; T40-L43 HydrophobicContact CG2-CD1 3.98Å; T40-L43 WeakPolarHBondContact O-CB 3.42Å; T40-L43 PolarHBondContact O-N 2.82Å; K41-L43 PolarHBondContact O-N 3.38Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-Y57 HydrophobicContact CD1-CE2 3.96Å; L43-Y57 HydrophobicContact CD2-CD1 4.19Å; L43-Y57 HydrophobicContact CD2-CD2 3.45Å; L43-Y57 VanDerWaalsContact CD2-CD2 3.45Å; L43-Y57 HydrophobicContact CD2-CE1 4.4Å; L43-Y57 HydrophobicContact CD2-CE2 3.7Å; L43-Y57 HydrophobicContact CD2-CG 3.72Å; L43-Y57 HydrophobicContact CG-CD2 3.99Å; L43-Y57 HydrophobicContact CG-CE2 3.76Å; L43-N69 WeakPolarHBondContact O-CB 3.41Å
44C97.4Very high95.3Very high5 Ų575.1 Ų75.13%0.03438%0.379CS..THydrogen-bonded Turntrans-90.126.4174.5-57.80000112.6D42 G48 C50 C59 N69D42-C44 VanDerWaalsContact C-N 3.34Å; D42-C44 PolarHBondContact O-N 2.82Å; C44-G48 PolarHBondContact O-N 3.48Å; C44-C50 HydrophobicContact CB-CB 4.45Å; C44-C50 WeakPolarHBondContact SG-CA 3.24Å; C44-C50 WeakPolarHBondContact SG-CB 3.49Å; C44-C59 WeakPolarHBondContact CA-SG 3Å; C44-C59 HydrophobicContact CB-CB 3.59Å; C44-C59 WeakPolarHBondContact CB-SG 3.49Å; C44-C59 WeakPolarHBondContact SG-CA 3.3Å; C44-C59 WeakPolarHBondContact SG-CB 3.47Å; C44-C59 CovalentContact SG-SG 2.02Å; C44-C59 PolarHBondContact SG-SG 2.79Å; C44-N69 CarbonylContact C-O 3.58Å; C44-N69 WeakPolarHBondContact CA-O 3.43Å
45S94.9Very high95.1Very high36 Ų3672.7 Ų72.725%0.25237%0.373SS..THydrogen-bonded Turntrans53.9-165.7-167.5-540000111.2D42 L43 N47 N69D42-S45 VanDerWaalsContact O-CA 3.25Å; D42-S45 WeakPolarHBondContact O-CA 3.45Å; D42-S45 PolarHBondContact O-N 2.03Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-N47 PolarHBondContact O-N 3.15Å; S45-N69 PolarHBondContact N-O 3.04Å; S45-N69 PolarHBondContact OG-O 2.5Å
46K95.7Very high95Very high160 Ų16074 Ų7470%0.69638%0.38SS*.THydrogen-bonded Turntrans-78.9-0.7166.3-64.6-84.4176.4175.50112.3D42D42-K46 VanDerWaalsContact OD1-CE 3.29Å; D42-K46 WeakPolarHBondContact OD1-CE 3.28Å; D42-K46 IonicContact OD1-NZ 2.9Å
47N97.5Very high95.1Very high40 Ų4074.7 Ų74.721%0.21438%0.382CS..SBendtrans-110.115.3-162.6-59.1-29.8000112.6S45 N62 Y65 C70S45-N47 PolarHBondContact O-N 3.15Å; N47-N62 VanDerWaalsContact C-ND2 3.3Å; N47-N62 VanDerWaalsContact O-CB 3.27Å; N47-N62 WeakPolarHBondContact O-CB 3.02Å; N47-N62 VanDerWaalsContact O-CG 3.28Å; N47-N62 PolarHBondContact O-N 3.12Å; N47-N62 PolarHBondContact O-ND2 2.85Å; N47-Y65 HydrophobicContact CB-CD1 3.79Å; N47-Y65 HydrophobicContact CB-CD2 3.7Å; N47-Y65 HydrophobicContact CB-CE1 4.08Å; N47-Y65 HydrophobicContact CB-CE2 3.96Å; N47-Y65 HydrophobicContact CB-CG 3.58Å; N47-Y65 VanDerWaalsContact CG-CE1 3.45Å; N47-Y65 VanDerWaalsContact CG-CZ 3.49Å; N47-Y65 WeakPolarHBondContact ND2-CD1 3.37Å; N47-Y65 WeakPolarHBondContact ND2-CE1 2.99Å; N47-C70 HydrophobicContact CB-CB 4.22Å
48G97.6Very high95.2Very high18 Ų1875.9 Ų75.919%0.18639%0.388CS..EExtended strand (participates in β ladder)trans-161.8170.5178.500000112.5C44 T60C44-G48 PolarHBondContact O-N 3.48Å; G48-T60 CarbonylContact C-O 3.55Å; G48-T60 WeakPolarHBondContact CA-O 3.42Å
49V97.8Very high95.3Very high91 Ų9166.9 Ų66.955%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-106125.1176.1-178.50000108.7T60V49-T60 PolarHBondContact N-O 3.06Å; V49-T60 PolarHBondContact O-N 2.82Å
50C97.8Very high95.6Very high37 Ų3765.1 Ų65.125%0.2536%0.356CS..EExtended strand (participates in β ladder)trans-80.7137.9176.8-166.20000110.9C37 C44C37-C50 WeakPolarHBondContact CA-SG 3.16Å; C37-C50 HydrophobicContact CB-CB 3.76Å; C37-C50 WeakPolarHBondContact CB-SG 3.47Å; C37-C50 VanDerWaalsContact SG-C 3.5Å; C37-C50 WeakPolarHBondContact SG-CB 3.01Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.48Å; C44-C50 HydrophobicContact CB-CB 4.45Å; C44-C50 WeakPolarHBondContact SG-CA 3.24Å; C44-C50 WeakPolarHBondContact SG-CB 3.49Å
51S97.5Very high95.9Very high54 Ų5463.9 Ų63.938%0.37835%0.349SS..EExtended strand (participates in β ladder)trans-132.6137.8170.5-67.30000109.5C37 P53 Y57 T58C37-S51 PolarHBondContact SG-N 2.97Å; S51-P53 WeakPolarHBondContact O-CD 3.07Å; S51-Y57 CarbonylContact O-C 3.49Å; S51-Y57 WeakPolarHBondContact O-CA 3.38Å; S51-T58 PolarHBondContact N-O 2.87Å; S51-T58 PolarHBondContact O-N 2.77Å; S51-T58 PolarHBondContact O-OG1 3.29Å
52D94.6Very high96.2Very high49 Ų4959.2 Ų59.226%0.26233%0.333SS..  trans-114.275.4-170.6-169.568.7000110.2D35 E36D35-D52 WeakPolarHBondContact CA-OD2 3.45Å; E36-D52 PolarHBondContact N-OD1 3.09Å; E36-D52 VanDerWaalsContact N-OD1 3.09Å
53P94Very high96.3Very high58 Ų5858.5 Ų58.538%0.37734%0.337SS..  trans-73.3147.8170.831.7-35.5000110.8S51 G55 N56 T58S51-P53 WeakPolarHBondContact O-CD 3.07Å; P53-G55 PolarHBondContact O-N 2.04Å; P53-G55 VanDerWaalsContact O-N 3.09Å; P53-N56 VanDerWaalsContact CD-O 3.27Å; P53-N56 WeakPolarHBondContact CD-O 3.11Å; P53-N56 HydrophobicContact CG-CB 4.49Å; P53-N56 CarbonylContact O-C 3.45Å; P53-N56 PolarHBondContact O-N 3.28Å; P53-T58 HydrophobicContact CG-CG2 4.32Å
54K93.8Very high96.4Very high171 Ų17157.5 Ų57.574%0.74333%0.334SS*.THydrogen-bonded Turntrans-46.2118.2-178.2-171.2174.2-178.9176.90114.5W25 D33W25-K54 HydrophobicContact CH2-CD 4.09Å; W25-K54 VanDerWaalsContact CH2-CE 3.42Å; W25-K54 HydrophobicContact CH2-CG 3.5Å; W25-K54 VanDerWaalsContact CH2-CG 3.5Å; W25-K54 HydrophobicContact CZ2-CG 3.9Å; D33-K54 WeakPolarHBondContact OD2-CA 3.47Å
55G91.3Very high96.5Very high16 Ų1659.9 Ų59.917%0.16534%0.342CS..THydrogen-bonded Turntrans82.310.3176.700000115.2D33 P53D33-G55 WeakPolarHBondContact OD1-CA 3.05Å; D33-G55 PolarHBondContact OD1-N 3.43Å; P53-G55 PolarHBondContact O-N 2.04Å; P53-G55 VanDerWaalsContact O-N 3.09Å
56N93.5Very high96.6Very high71 Ų7161.7 Ų61.738%0.3835%0.352SS..  trans-160.9173.2179.8-162.112.4000111.8P53P53-N56 VanDerWaalsContact CD-O 3.27Å; P53-N56 WeakPolarHBondContact CD-O 3.11Å; P53-N56 HydrophobicContact CG-CB 4.49Å; P53-N56 CarbonylContact O-C 3.45Å; P53-N56 PolarHBondContact O-N 3.28Å
57Y95.6Very high96.7Very high37 Ų3755.4 Ų55.415%0.14533%0.333CS..  trans-125157.5164.777.5-83.9000110.7E36 L43 S51 Q68 N69E36-Y57 HydrophobicContact CB-CD1 4.25Å; E36-Y57 HydrophobicContact CB-CG 4.23Å; E36-Y57 HydrophobicContact CG-CD1 4.14Å; L43-Y57 HydrophobicContact CD1-CE2 3.96Å; L43-Y57 HydrophobicContact CD2-CD1 4.19Å; L43-Y57 HydrophobicContact CD2-CD2 3.45Å; L43-Y57 VanDerWaalsContact CD2-CD2 3.45Å; L43-Y57 HydrophobicContact CD2-CE1 4.4Å; L43-Y57 HydrophobicContact CD2-CE2 3.7Å; L43-Y57 HydrophobicContact CD2-CG 3.72Å; L43-Y57 HydrophobicContact CG-CD2 3.99Å; L43-Y57 HydrophobicContact CG-CE2 3.76Å; S51-Y57 CarbonylContact O-C 3.49Å; S51-Y57 WeakPolarHBondContact O-CA 3.38Å; Y57-Q68 PolarHBondContact OH-NE2 2.03Å; Y57-N69 VanDerWaalsContact CE2-OD1 3.25Å; Y57-N69 WeakPolarHBondContact CE2-OD1 3.06Å; Y57-N69 PolarHBondContact OH-OD1 3.21Å
58T97.1Very high96.7Very high64 Ų6459.8 Ų59.839%0.39335%0.352SS..EExtended strand (participates in β ladder)trans-136.8142.6174.156.10000109.9S51 P53S51-T58 PolarHBondContact N-O 2.87Å; S51-T58 PolarHBondContact O-N 2.77Å; S51-T58 PolarHBondContact O-OG1 3.29Å; P53-T58 HydrophobicContact CG-CG2 4.32Å
59C98.3Very high96.7Very high24 Ų2461 Ų6116%0.16235%0.354CS..EExtended strand (participates in β ladder)trans-109.4124.3172.8-62.80000109.5C44 Q68C44-C59 WeakPolarHBondContact CA-SG 3Å; C44-C59 HydrophobicContact CB-CB 3.59Å; C44-C59 WeakPolarHBondContact CB-SG 3.49Å; C44-C59 WeakPolarHBondContact SG-CA 3.3Å; C44-C59 WeakPolarHBondContact SG-CB 3.47Å; C44-C59 CovalentContact SG-SG 2.02Å; C44-C59 PolarHBondContact SG-SG 2.79Å; C59-Q68 VanDerWaalsContact CB-O 3.29Å; C59-Q68 WeakPolarHBondContact CB-O 3.28Å; C59-Q68 PolarHBondContact SG-O 2.9Å; C59-Q68 VanDerWaalsContact SG-O 3.33Å
60T98.4Very high96.7Very high92 Ų9256.7 Ų56.756%0.56433%0.328SS*.EExtended strand (participates in β ladder)trans-92.8107.3166.5-58.70000108G48 V49G48-T60 CarbonylContact C-O 3.55Å; G48-T60 WeakPolarHBondContact CA-O 3.42Å; V49-T60 PolarHBondContact N-O 3.06Å; V49-T60 PolarHBondContact O-N 2.82Å
61C98.6Very high96.7Very high41 Ų4159.2 Ų59.228%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-73.3142-176.7-54.40000112.1Y65 C70C61-Y65 WeakPolarHBondContact CB-O 3.49Å; C61-C70 WeakPolarHBondContact CA-SG 3.32Å; C61-C70 HydrophobicContact CB-CB 3.74Å; C61-C70 WeakPolarHBondContact CB-SG 3.38Å; C61-C70 PolarHBondContact N-SG 3.27Å; C61-C70 WeakPolarHBondContact SG-CA 3.34Å; C61-C70 WeakPolarHBondContact SG-CB 3.42Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.03Å
62N98.4Very high96.7Very high76 Ų7662.6 Ų62.641%0.40634%0.344SS..PPolyproline II helixtrans-62155.2166-63.1-22.6000109N47 G64 Y65N47-N62 VanDerWaalsContact C-ND2 3.3Å; N47-N62 VanDerWaalsContact O-CB 3.27Å; N47-N62 WeakPolarHBondContact O-CB 3.02Å; N47-N62 VanDerWaalsContact O-CG 3.28Å; N47-N62 PolarHBondContact O-N 3.12Å; N47-N62 PolarHBondContact O-ND2 2.85Å; N62-G64 PolarHBondContact O-N 2.88Å; N62-Y65 HydrophobicContact CB-CD2 4.24Å; N62-Y65 PolarHBondContact O-N 3.27Å; N62-Y65 VanDerWaalsContact O-N 3.13Å
63A97.8Very high96.9Very high62 Ų6263.6 Ų63.651%0.51235%0.347SS..THydrogen-bonded Turntrans-56138.9178.200000110.8N92A63-N92 HydrophobicContact CB-CB 4.12Å; A63-N92 VanDerWaalsContact CB-CG 3.43Å; A63-N92 WeakPolarHBondContact CB-OD1 3.19Å
64G97.8Very high97.1Very high6 Ų663.2 Ų63.26%0.06234%0.344CS..THydrogen-bonded Turntrans84.61.7-174.100000115.4N62 E73 V74 N92N62-G64 PolarHBondContact O-N 2.88Å; G64-E73 WeakPolarHBondContact O-CA 3.36Å; G64-V74 PolarHBondContact O-N 2.79Å; G64-N92 PolarHBondContact N-OD1 2.83Å
65Y98.6Very high97.3Very high55 Ų5559.2 Ų59.222%0.21633%0.33CS..EExtended strand (participates in β ladder)trans-124.9152.3177.6-62.2-84.9000112.8N47 C61 N62 K72 E73 V91N47-Y65 HydrophobicContact CB-CD1 3.79Å; N47-Y65 HydrophobicContact CB-CD2 3.7Å; N47-Y65 HydrophobicContact CB-CE1 4.08Å; N47-Y65 HydrophobicContact CB-CE2 3.96Å; N47-Y65 HydrophobicContact CB-CG 3.58Å; N47-Y65 VanDerWaalsContact CG-CE1 3.45Å; N47-Y65 VanDerWaalsContact CG-CZ 3.49Å; N47-Y65 WeakPolarHBondContact ND2-CD1 3.37Å; N47-Y65 WeakPolarHBondContact ND2-CE1 2.99Å; C61-Y65 WeakPolarHBondContact CB-O 3.49Å; N62-Y65 HydrophobicContact CB-CD2 4.24Å; N62-Y65 PolarHBondContact O-N 3.27Å; N62-Y65 VanDerWaalsContact O-N 3.13Å; Y65-K72 CarbonylContact C-O 3.47Å; Y65-K72 VanDerWaalsContact CA-O 3.31Å; Y65-K72 WeakPolarHBondContact CA-O 3.47Å; Y65-E73 HydrophobicContact CD1-CB 4.04Å; Y65-E73 HydrophobicContact CD1-CG 4.48Å; Y65-E73 HydrophobicContact CE1-CB 3.92Å; Y65-E73 HydrophobicContact CE1-CG 4.17Å; Y65-V91 HydrophobicContact CD2-CG1 4.43Å; Y65-V91 HydrophobicContact CE2-CG1 3.57Å; Y65-V91 WeakPolarHBondContact OH-CG2 3.36Å
66T97.9Very high97.6Very high74 Ų7460.1 Ų60.145%0.45433%0.33SS..EExtended strand (participates in β ladder)trans-149.2179.9-178.3-164.30000111.4C70 E71 K72 V74T66-C70 CarbonylContact O-C 3.6Å; T66-C70 VanDerWaalsContact O-CA 3.32Å; T66-C70 WeakPolarHBondContact O-CA 3.29Å; T66-E71 PolarHBondContact O-N 3.18Å; T66-K72 HydrophobicContact CG2-CB 3.91Å; T66-K72 PolarHBondContact N-O 2.85Å; T66-K72 PolarHBondContact O-N 3.07Å; T66-V74 HydrophobicContact CG2-CG2 3.83Å
67G97.8Very high97.8Very high28 Ų2858.2 Ų58.229%0.28932%0.322SS..SBendtrans95.7164.2-170.700000111.9N69 C70 E71G67-N69 PolarHBondContact O-N 3.39Å; G67-C70 PolarHBondContact O-N 3.26Å; G67-E71 WeakPolarHBondContact CA-OE2 3.48Å
68Q96.3Very high97.9Very high132 Ų13260 Ų6062%0.61734%0.344SS*.THydrogen-bonded Turntrans-61.9-29.6-178.5-178.2177.4-5.100111.7Y57 C59 E71Y57-Q68 PolarHBondContact OH-NE2 2.03Å; C59-Q68 VanDerWaalsContact CB-O 3.29Å; C59-Q68 WeakPolarHBondContact CB-O 3.28Å; C59-Q68 PolarHBondContact SG-O 2.9Å; C59-Q68 VanDerWaalsContact SG-O 3.33Å; Q68-E71 PolarHBondContact N-OE2 3.45Å
69N97.8Very high97.7Very high44 Ų4464.2 Ų64.224%0.23536%0.364CS..THydrogen-bonded Turntrans-117.618.6-174.7-69-10.7000111.6L43 C44 S45 Y57 G67 E71L43-N69 WeakPolarHBondContact O-CB 3.41Å; C44-N69 CarbonylContact C-O 3.58Å; C44-N69 WeakPolarHBondContact CA-O 3.43Å; S45-N69 PolarHBondContact N-O 3.04Å; S45-N69 PolarHBondContact OG-O 2.5Å; Y57-N69 VanDerWaalsContact CE2-OD1 3.25Å; Y57-N69 WeakPolarHBondContact CE2-OD1 3.06Å; Y57-N69 PolarHBondContact OH-OD1 3.21Å; G67-N69 PolarHBondContact O-N 3.39Å; N69-E71 VanDerWaalsContact C-OE2 3.24Å; N69-E71 VanDerWaalsContact CA-OE2 3.31Å; N69-E71 WeakPolarHBondContact CA-OE2 3.19Å; N69-E71 WeakPolarHBondContact CB-OE2 3.49Å; N69-E71 PolarHBondContact N-OE2 3.5Å; N69-E71 PolarHBondContact O-N 3.22Å; N69-E71 VanDerWaalsContact O-N 3.1Å
70C98.3Very high97.6Very high0 Ų064.2 Ų64.20%037%0.367CS..SBendtrans52.132.6-177.3-48.80000113.3N47 C61 T66 G67N47-C70 HydrophobicContact CB-CB 4.22Å; C61-C70 WeakPolarHBondContact CA-SG 3.32Å; C61-C70 HydrophobicContact CB-CB 3.74Å; C61-C70 WeakPolarHBondContact CB-SG 3.38Å; C61-C70 PolarHBondContact N-SG 3.27Å; C61-C70 WeakPolarHBondContact SG-CA 3.34Å; C61-C70 WeakPolarHBondContact SG-CB 3.42Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.03Å; T66-C70 CarbonylContact O-C 3.6Å; T66-C70 VanDerWaalsContact O-CA 3.32Å; T66-C70 WeakPolarHBondContact O-CA 3.29Å; G67-C70 PolarHBondContact O-N 3.26Å
71E97.4Very high97.5Very high90 Ų9064.8 Ų64.842%0.42137%0.366SS..  trans-86.8-13.3-170.975.4-70.7171.500113T66 G67 Q68 N69T66-E71 PolarHBondContact O-N 3.18Å; G67-E71 WeakPolarHBondContact CA-OE2 3.48Å; Q68-E71 PolarHBondContact N-OE2 3.45Å; N69-E71 VanDerWaalsContact C-OE2 3.24Å; N69-E71 VanDerWaalsContact CA-OE2 3.31Å; N69-E71 WeakPolarHBondContact CA-OE2 3.19Å; N69-E71 WeakPolarHBondContact CB-OE2 3.49Å; N69-E71 PolarHBondContact N-OE2 3.5Å; N69-E71 PolarHBondContact O-N 3.22Å; N69-E71 VanDerWaalsContact O-N 3.1Å
72K98.2Very high97.5Very high124 Ų12464 Ų6454%0.53936%0.361SS..EExtended strand (participates in β ladder)trans-110.5129-178.7-58.8-178.3-173.4173.40109.1Y65 T66Y65-K72 CarbonylContact C-O 3.47Å; Y65-K72 VanDerWaalsContact CA-O 3.31Å; Y65-K72 WeakPolarHBondContact CA-O 3.47Å; T66-K72 HydrophobicContact CG2-CB 3.91Å; T66-K72 PolarHBondContact N-O 2.85Å; T66-K72 PolarHBondContact O-N 3.07Å
73E97.9Very high97.4Very high70 Ų7064 Ų6433%0.32736%0.363SS..EExtended strand (participates in β ladder)trans-75143.2164.5-173.9-99.9-152.900108.8G64 Y65G64-E73 WeakPolarHBondContact O-CA 3.36Å; Y65-E73 HydrophobicContact CD1-CB 4.04Å; Y65-E73 HydrophobicContact CD1-CG 4.48Å; Y65-E73 HydrophobicContact CE1-CB 3.92Å; Y65-E73 HydrophobicContact CE1-CG 4.17Å
74V98.4Very high97.4Very high51 Ų5163.3 Ų63.331%0.30935%0.351SS..  trans-80.9122.3-178.9172.70000107.5G64 T66 E76G64-V74 PolarHBondContact O-N 2.79Å; T66-V74 HydrophobicContact CG2-CG2 3.83Å; V74-E76 WeakPolarHBondContact CB-OE1 3.46Å; V74-E76 HydrophobicContact CG1-CG 4.43Å; V74-E76 WeakPolarHBondContact CG1-OE1 3.39Å; V74-E76 PolarHBondContact O-N 3.05Å; V74-E76 VanDerWaalsContact O-OE2 3.08Å
75N97.8Very high97.5Very high87 Ų8763.5 Ų63.547%0.46535%0.353SS..  trans-75.394.4173.8-178.6-26.9000110C77 A78 D89N75-C77 PolarHBondContact O-N 2.96Å; N75-C77 VanDerWaalsContact OD1-CA 3.29Å; N75-C77 WeakPolarHBondContact OD1-CA 3.31Å; N75-C77 WeakPolarHBondContact OD1-CB 3.46Å; N75-C77 PolarHBondContact OD1-N 3.25Å; N75-A78 WeakPolarHBondContact O-CB 3.48Å; N75-A78 PolarHBondContact O-N 3.41Å; N75-A78 PolarHBondContact OD1-N 3.33Å; N75-D89 WeakPolarHBondContact CA-OD1 3.27Å; N75-D89 WeakPolarHBondContact CA-OD2 3.4Å
76E97.9Very high97.4Very high35 Ų3566.3 Ų66.316%0.16436%0.364CS..G310 helixtrans-70.6-21.8176.3-78.593.9-161.800112.2V74 A78 N79 A80 D89 N92 G93 Y94V74-E76 WeakPolarHBondContact CB-OE1 3.46Å; V74-E76 HydrophobicContact CG1-CG 4.43Å; V74-E76 WeakPolarHBondContact CG1-OE1 3.39Å; V74-E76 PolarHBondContact O-N 3.05Å; V74-E76 VanDerWaalsContact O-OE2 3.08Å; E76-A78 PolarHBondContact O-N 3.45Å; E76-N79 PolarHBondContact O-N 3.01Å; E76-A80 PolarHBondContact O-N 3.29Å; E76-D89 PolarHBondContact N-OD1 3.17Å; E76-N92 PolarHBondContact OE2-N 3.36Å; E76-G93 VanDerWaalsContact CD-N 3.29Å; E76-G93 PolarHBondContact OE2-N 3.32Å; E76-G93 VanDerWaalsContact OE2-O 3.12Å; E76-Y94 HydrophobicContact CB-CD1 4.14Å
77C98.1Very high97.5Very high31 Ų3164.6 Ų64.621%0.20936%0.355CS..G310 helixtrans-63.5-20.7172.3-70.60000114.3N75 N79 A80 C87 D89N75-C77 PolarHBondContact O-N 2.96Å; N75-C77 VanDerWaalsContact OD1-CA 3.29Å; N75-C77 WeakPolarHBondContact OD1-CA 3.31Å; N75-C77 WeakPolarHBondContact OD1-CB 3.46Å; N75-C77 PolarHBondContact OD1-N 3.25Å; C77-N79 PolarHBondContact O-N 2.91Å; C77-A80 PolarHBondContact O-N 3.43Å; C77-C87 WeakPolarHBondContact CA-SG 3.16Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.39Å; C77-C87 VanDerWaalsContact SG-C 3.53Å; C77-C87 WeakPolarHBondContact SG-CB 3.18Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.96Å; C77-D89 PolarHBondContact N-OD1 2.03Å; C77-D89 PolarHBondContact SG-N 3.21Å
78A96.8Very high97.5Very high74 Ų7465.9 Ų65.961%0.61236%0.355SS*.G310 helixtrans-61-25.3178.200000113.3N75 E76N75-A78 WeakPolarHBondContact O-CB 3.48Å; N75-A78 PolarHBondContact O-N 3.41Å; N75-A78 PolarHBondContact OD1-N 3.33Å; E76-A78 PolarHBondContact O-N 3.45Å
79N94Very high97.6Very high152 Ų15262 Ų6281%0.81334%0.338SS*.G310 helixtrans-121.312.7176.8-61.1-61.7000112.7E76 C77E76-N79 PolarHBondContact O-N 3.01Å; C77-N79 PolarHBondContact O-N 2.91Å
80A95.2Very high97.6Very high25 Ų2563.8 Ų63.821%0.20735%0.347CS..  trans-73143.3-179.400000111.7E76 C77 C87 Y94E76-A80 PolarHBondContact O-N 3.29Å; C77-A80 PolarHBondContact O-N 3.43Å; A80-C87 HydrophobicContact CB-CB 4.28Å; A80-C87 WeakPolarHBondContact CB-SG 3.31Å; A80-Y94 HydrophobicContact CB-CD1 4.17Å; A80-Y94 HydrophobicContact CB-CD2 3.51Å; A80-Y94 HydrophobicContact CB-CE1 4.1Å; A80-Y94 HydrophobicContact CB-CE2 3.44Å; A80-Y94 VanDerWaalsContact CB-CE2 3.44Å; A80-Y94 HydrophobicContact CB-CG 3.89Å
81D96.3Very high97.5Very high104 Ų10467.8 Ų67.856%0.55637%0.372SS*.  trans-105.764.1177.7-170.217.2000110.7V83 S106D81-V83 PolarHBondContact O-N 2.84Å; D81-S106 WeakPolarHBondContact O-CA 3.47Å; D81-S106 WeakPolarHBondContact O-CB 3.06Å
82C98.1Very high97.5Very high25 Ų2568.2 Ų68.217%0.16938%0.377CS..  trans-85.687.1174.2-59.30000109.9N84 C96C82-N84 PolarHBondContact O-N 2.9Å; C82-C96 WeakPolarHBondContact CA-SG 3.42Å; C82-C96 HydrophobicContact CB-CB 3.79Å; C82-C96 WeakPolarHBondContact CB-SG 3.42Å; C82-C96 VanDerWaalsContact SG-CA 3.54Å; C82-C96 WeakPolarHBondContact SG-CB 3.46Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 3.1Å
83V98.2Very high97.4Very high75 Ų7563.3 Ų63.346%0.45536%0.362SS..THydrogen-bonded Turntrans-62.1-46.1-170.2-173.90000112.6D81 S106 A108D81-V83 PolarHBondContact O-N 2.84Å; V83-S106 PolarHBondContact N-O 2.04Å; V83-A108 HydrophobicContact CB-CB 4.34Å; V83-A108 HydrophobicContact CG2-CB 3.96Å
84N97.6Very high97.5Very high47 Ų4764.8 Ų64.825%0.25137%0.365SS..THydrogen-bonded Turntrans-132.454.9178.9-59.5-79.7000111.1C82 Y99 F102 C107C82-N84 PolarHBondContact O-N 2.9Å; N84-Y99 HydrophobicContact CB-CD2 4.44Å; N84-Y99 VanDerWaalsContact O-CD2 3.24Å; N84-Y99 WeakPolarHBondContact O-CD2 3.32Å; N84-Y99 PolarHBondContact O-N 2.99Å; N84-F102 HydrophobicContact CB-CB 4.09Å; N84-F102 HydrophobicContact CB-CD1 3.51Å; N84-F102 HydrophobicContact CB-CD2 3.64Å; N84-F102 HydrophobicContact CB-CE1 3.69Å; N84-F102 HydrophobicContact CB-CE2 3.83Å; N84-F102 HydrophobicContact CB-CG 3.47Å; N84-F102 VanDerWaalsContact CB-CG 3.47Å; N84-F102 HydrophobicContact CB-CZ 3.84Å; N84-F102 WeakPolarHBondContact ND2-CD1 3.37Å; N84-F102 WeakPolarHBondContact ND2-CE1 3.14Å; N84-C107 HydrophobicContact CB-CB 4.47Å; N84-C107 WeakPolarHBondContact CB-O 3.48Å; N84-C107 PolarHBondContact ND2-O 2.94Å
85G98.2Very high97.5Very high11 Ų1167.4 Ų67.411%0.11337%0.372CS..EExtended strand (participates in β ladder)trans-162.9-178.7177.400000111.2E97G85-E97 CarbonylContact C-O 3.04Å; G85-E97 WeakPolarHBondContact CA-O 3.44Å
86Y98Very high97.5Very high113 Ų11363.8 Ų63.844%0.44335%0.353SS..EExtended strand (participates in β ladder)trans-104.4148.4166.657.9-87.5000110.2I88 C96 E97 Y99Y86-I88 HydrophobicContact CD2-CG1 4.12Å; Y86-I88 HydrophobicContact CE2-CD1 4.07Å; Y86-I88 HydrophobicContact CE2-CG1 3.97Å; Y86-C96 WeakPolarHBondContact O-CA 2.99Å; Y86-E97 HydrophobicContact CD1-CB 4.32Å; Y86-E97 HydrophobicContact CD2-CB 4.14Å; Y86-E97 HydrophobicContact CE1-CB 3.84Å; Y86-E97 HydrophobicContact CE2-CB 3.62Å; Y86-E97 HydrophobicContact CE2-CG 4.04Å; Y86-E97 WeakPolarHBondContact CE2-OE2 3.01Å; Y86-E97 HydrophobicContact CG-CB 4.47Å; Y86-E97 VanDerWaalsContact CZ-CB 3.47Å; Y86-E97 PolarHBondContact N-O 3.49Å; Y86-E97 PolarHBondContact O-N 2.88Å; Y86-E97 PolarHBondContact OH-OE2 3.2Å; Y86-Y99 AromaticContact CD1-CE1 3.94Å; Y86-Y99 HydrophobicContact CD1-CE1 3.94Å
87C98.6Very high97.5Very high39 Ų3964.9 Ų64.926%0.26436%0.359SS..EExtended strand (participates in β ladder)trans-86.3135.9177.2-1730000110.5C77 A80C77-C87 WeakPolarHBondContact CA-SG 3.16Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.39Å; C77-C87 VanDerWaalsContact SG-C 3.53Å; C77-C87 WeakPolarHBondContact SG-CB 3.18Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.96Å; A80-C87 HydrophobicContact CB-CB 4.28Å; A80-C87 WeakPolarHBondContact CB-SG 3.31Å
88I98.5Very high97.6Very high54 Ų5465.6 Ų65.628%0.27736%0.364SS..EExtended strand (participates in β ladder)trans-108119.2166.9-60.6-175000107.5Y86 L90 Y94 K95 E97Y86-I88 HydrophobicContact CD2-CG1 4.12Å; Y86-I88 HydrophobicContact CE2-CD1 4.07Å; Y86-I88 HydrophobicContact CE2-CG1 3.97Å; I88-L90 HydrophobicContact CG2-CD2 3.9Å; I88-L90 HydrophobicContact CG2-CG 4.46Å; I88-Y94 CarbonylContact O-C 2.97Å; I88-Y94 VanDerWaalsContact O-CA 3.28Å; I88-Y94 WeakPolarHBondContact O-CA 3.37Å; I88-Y94 WeakPolarHBondContact O-CB 3Å; I88-K95 PolarHBondContact N-O 3.06Å; I88-K95 PolarHBondContact O-N 2.77Å; I88-E97 HydrophobicContact CD1-CG 3.51Å; I88-E97 WeakPolarHBondContact CD1-OE1 3.29Å; I88-E97 WeakPolarHBondContact CD1-OE2 3.02Å; I88-E97 HydrophobicContact CG1-CG 4.11Å
89D97.8Very high97.6Very high51 Ų5168 Ų6827%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-72132.4174.1-146.728.2000109.1N75 E76 C77N75-D89 WeakPolarHBondContact CA-OD1 3.27Å; N75-D89 WeakPolarHBondContact CA-OD2 3.4Å; E76-D89 PolarHBondContact N-OD1 3.17Å; C77-D89 PolarHBondContact N-OD1 2.03Å; C77-D89 PolarHBondContact SG-N 3.21Å
90L97.9Very high97.6Very high81 Ų8166.4 Ų66.442%0.42435%0.354SS..EExtended strand (participates in β ladder)trans-131.9159.4-179.8-57.8174.6000107.9I88 N92 G93 K95I88-L90 HydrophobicContact CG2-CD2 3.9Å; I88-L90 HydrophobicContact CG2-CG 4.46Å; L90-N92 PolarHBondContact O-N 3.41Å; L90-G93 CarbonylContact C-O 3.48Å; L90-G93 WeakPolarHBondContact CA-O 3.25Å; L90-G93 WeakPolarHBondContact CB-O 3.29Å; L90-G93 PolarHBondContact N-O 3.45Å; L90-G93 PolarHBondContact O-N 3.13Å; L90-K95 HydrophobicContact CD1-CB 3.94Å
91V96.8Very high97.6Very high85 Ų8565.6 Ų65.652%0.51535%0.348SS..THydrogen-bonded Turntrans-61.6116.3173.9179.90000110.1Y65Y65-V91 HydrophobicContact CD2-CG1 4.43Å; Y65-V91 HydrophobicContact CE2-CG1 3.57Å; Y65-V91 WeakPolarHBondContact OH-CG2 3.36Å
92N97.2Very high97.7Very high98 Ų9862.1 Ų62.152%0.52433%0.328SS..THydrogen-bonded Turntrans63.438.4178.1-169.652.2000113.2A63 G64 E76 L90A63-N92 HydrophobicContact CB-CB 4.12Å; A63-N92 VanDerWaalsContact CB-CG 3.43Å; A63-N92 WeakPolarHBondContact CB-OD1 3.19Å; G64-N92 PolarHBondContact N-OD1 2.83Å; E76-N92 PolarHBondContact OE2-N 3.36Å; L90-N92 PolarHBondContact O-N 3.41Å
93G97.2Very high97.6Very high22 Ų2263.9 Ų63.923%0.22734%0.338CS..EExtended strand (participates in β ladder)trans168.3-175.1176.700000113E76 L90E76-G93 VanDerWaalsContact CD-N 3.29Å; E76-G93 PolarHBondContact OE2-N 3.32Å; E76-G93 VanDerWaalsContact OE2-O 3.12Å; L90-G93 CarbonylContact C-O 3.48Å; L90-G93 WeakPolarHBondContact CA-O 3.25Å; L90-G93 WeakPolarHBondContact CB-O 3.29Å; L90-G93 PolarHBondContact N-O 3.45Å; L90-G93 PolarHBondContact O-N 3.13Å
94Y98.2Very high97.6Very high101 Ų10162 Ų6240%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-146.1164.4176.470.2-85.9000110.4E76 A80 I88E76-Y94 HydrophobicContact CB-CD1 4.14Å; A80-Y94 HydrophobicContact CB-CD1 4.17Å; A80-Y94 HydrophobicContact CB-CD2 3.51Å; A80-Y94 HydrophobicContact CB-CE1 4.1Å; A80-Y94 HydrophobicContact CB-CE2 3.44Å; A80-Y94 VanDerWaalsContact CB-CE2 3.44Å; A80-Y94 HydrophobicContact CB-CG 3.89Å; I88-Y94 CarbonylContact O-C 2.97Å; I88-Y94 VanDerWaalsContact O-CA 3.28Å; I88-Y94 WeakPolarHBondContact O-CA 3.37Å; I88-Y94 WeakPolarHBondContact O-CB 3Å
95K98.4Very high97.6Very high105 Ų10564.3 Ų64.346%0.45736%0.359SS..EExtended strand (participates in β ladder)trans-133.2131.6172.7179-170170.3-150.10109.2I88 L90 E97I88-K95 PolarHBondContact N-O 3.06Å; I88-K95 PolarHBondContact O-N 2.77Å; L90-K95 HydrophobicContact CD1-CB 3.94Å; K95-E97 IonicContact NZ-OE1 2.77Å; K95-E97 PolarHBondContact NZ-OE1 3.26Å
96C98.8Very high97.6Very high11 Ų1165.7 Ų65.77%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-82.2131167.3-55.80000110.2C82 Y86 A105 C107C82-C96 WeakPolarHBondContact CA-SG 3.42Å; C82-C96 HydrophobicContact CB-CB 3.79Å; C82-C96 WeakPolarHBondContact CB-SG 3.42Å; C82-C96 VanDerWaalsContact SG-CA 3.54Å; C82-C96 WeakPolarHBondContact SG-CB 3.46Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 3.1Å; Y86-C96 WeakPolarHBondContact O-CA 2.99Å; C96-A105 VanDerWaalsContact CB-O 3.3Å; C96-A105 WeakPolarHBondContact CB-O 3.25Å; C96-A105 PolarHBondContact SG-O 3.48Å; C96-C107 WeakPolarHBondContact CB-SG 3.33Å
97E98.6Very high97.6Very high59 Ų5960.3 Ų60.328%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-99.5112164.8-66.7-156.3151.700109.4G85 Y86 I88 K95G85-E97 CarbonylContact C-O 3.04Å; G85-E97 WeakPolarHBondContact CA-O 3.44Å; Y86-E97 HydrophobicContact CD1-CB 4.32Å; Y86-E97 HydrophobicContact CD2-CB 4.14Å; Y86-E97 HydrophobicContact CE1-CB 3.84Å; Y86-E97 HydrophobicContact CE2-CB 3.62Å; Y86-E97 HydrophobicContact CE2-CG 4.04Å; Y86-E97 WeakPolarHBondContact CE2-OE2 3.01Å; Y86-E97 HydrophobicContact CG-CB 4.47Å; Y86-E97 VanDerWaalsContact CZ-CB 3.47Å; Y86-E97 PolarHBondContact N-O 3.49Å; Y86-E97 PolarHBondContact O-N 2.88Å; Y86-E97 PolarHBondContact OH-OE2 3.2Å; I88-E97 HydrophobicContact CD1-CG 3.51Å; I88-E97 WeakPolarHBondContact CD1-OE1 3.29Å; I88-E97 WeakPolarHBondContact CD1-OE2 3.02Å; I88-E97 HydrophobicContact CG1-CG 4.11Å; K95-E97 IonicContact NZ-OE1 2.77Å; K95-E97 PolarHBondContact NZ-OE1 3.26Å
98C98.5Very high97.6Very high46 Ų4661 Ų6131%0.31135%0.354SS..EExtended strand (participates in β ladder)trans-75.1139-170.9-53.40000111.6F102 G104 C107C98-F102 HydrophobicContact CB-CB 4.17Å; C98-F102 WeakPolarHBondContact CB-O 3.06Å; C98-G104 PolarHBondContact SG-O 3.34Å; C98-C107 WeakPolarHBondContact CA-SG 3.25Å; C98-C107 HydrophobicContact CB-CB 3.66Å; C98-C107 WeakPolarHBondContact CB-SG 3.24Å; C98-C107 PolarHBondContact N-SG 3.25Å; C98-C107 VanDerWaalsContact N-SG 3.39Å; C98-C107 WeakPolarHBondContact SG-CA 3.42Å; C98-C107 WeakPolarHBondContact SG-CB 3.04Å; C98-C107 CovalentContact SG-SG 2.03Å; C98-C107 PolarHBondContact SG-SG 3.42Å
99Y97.4Very high97.5Very high125 Ų12562.4 Ų62.449%0.4937%0.365SS..PPolyproline II helixtrans-63.6156.9167.4-60.2-47.4000110.4N84 Y86 G101 F102N84-Y99 HydrophobicContact CB-CD2 4.44Å; N84-Y99 VanDerWaalsContact O-CD2 3.24Å; N84-Y99 WeakPolarHBondContact O-CD2 3.32Å; N84-Y99 PolarHBondContact O-N 2.99Å; Y86-Y99 AromaticContact CD1-CE1 3.94Å; Y86-Y99 HydrophobicContact CD1-CE1 3.94Å; Y99-G101 PolarHBondContact O-N 3.24Å; Y99-F102 PolarHBondContact O-N 2.9Å
100T94.5Very high97.4Very high118 Ų11865.4 Ų65.472%0.72438%0.378SS*.THydrogen-bonded Turntrans-53.2129.8178.6-55.40000111.1Y116T100-Y116 HydrophobicContact CG2-CD2 3.71Å; T100-Y116 HydrophobicContact CG2-CE2 3.56Å
101G95.1Very high97.3Very high8 Ų864.5 Ų64.58%0.08237%0.373CS..THydrogen-bonded Turntrans90.95.8-177.200000114.8Y99 L111Y99-G101 PolarHBondContact O-N 3.24Å; G101-L111 PolarHBondContact O-N 3.36Å
102F97.4Very high97.2Very high31 Ų3163.8 Ų63.814%0.13637%0.366CS..EExtended strand (participates in β ladder)trans-128155.4176.2-59.2-89.8000112.2N84 C98 Y99 C107 V109 E110N84-F102 HydrophobicContact CB-CB 4.09Å; N84-F102 HydrophobicContact CB-CD1 3.51Å; N84-F102 HydrophobicContact CB-CD2 3.64Å; N84-F102 HydrophobicContact CB-CE1 3.69Å; N84-F102 HydrophobicContact CB-CE2 3.83Å; N84-F102 HydrophobicContact CB-CG 3.47Å; N84-F102 VanDerWaalsContact CB-CG 3.47Å; N84-F102 HydrophobicContact CB-CZ 3.84Å; N84-F102 WeakPolarHBondContact ND2-CD1 3.37Å; N84-F102 WeakPolarHBondContact ND2-CE1 3.14Å; C98-F102 HydrophobicContact CB-CB 4.17Å; C98-F102 WeakPolarHBondContact CB-O 3.06Å; Y99-F102 PolarHBondContact O-N 2.9Å; F102-C107 HydrophobicContact CB-CB 4.42Å; F102-V109 CarbonylContact C-O 3.39Å; F102-V109 VanDerWaalsContact CA-O 3.28Å; F102-V109 WeakPolarHBondContact CA-O 3.41Å; F102-E110 HydrophobicContact CD1-CG 3.79Å; F102-E110 HydrophobicContact CE1-CG 3.44Å; F102-E110 VanDerWaalsContact CE1-CG 3.44Å; F102-E110 HydrophobicContact CZ-CG 4.37Å
103T97.5Very high97.2Very high62 Ų6259.4 Ų59.438%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-150.7176.6179.6-1650000112.3C107 V109 L111T103-C107 CarbonylContact O-C 3.52Å; T103-C107 VanDerWaalsContact O-CA 3.28Å; T103-C107 WeakPolarHBondContact O-CA 3.27Å; T103-V109 HydrophobicContact CG2-CB 3.82Å; T103-V109 HydrophobicContact CG2-CG1 3.9Å; T103-V109 PolarHBondContact N-O 3.45Å; T103-V109 WeakPolarHBondContact O-CB 3.41Å; T103-V109 PolarHBondContact O-N 3.25Å; T103-L111 HydrophobicContact CG2-CD2 3.53Å; T103-L111 HydrophobicContact CG2-CG 4.07Å
104G97.8Very high97.1Very high36 Ų3659.4 Ų59.437%0.37134%0.339SS..SBendtrans92.8168.1-177.500000113C98 S106 C107C98-G104 PolarHBondContact SG-O 3.34Å; G104-S106 VanDerWaalsContact C-N 3.25Å; G104-S106 PolarHBondContact O-N 3.33Å; G104-C107 PolarHBondContact O-N 2.77Å; G104-C107 VanDerWaalsContact O-N 3.07Å
105A97.2Very high96.8Very high95 Ų9560.3 Ų60.379%0.78535%0.351SS*.THydrogen-bonded Turntrans-60.6-33.6-175.500000113.3C96C96-A105 VanDerWaalsContact CB-O 3.3Å; C96-A105 WeakPolarHBondContact CB-O 3.25Å; C96-A105 PolarHBondContact SG-O 3.48Å
106S98Very high96.5Very high40 Ų4058.6 Ų58.628%0.2834%0.342SS..THydrogen-bonded Turntrans-100.93.3176.455.50000113.7D81 V83 G104 A108D81-S106 WeakPolarHBondContact O-CA 3.47Å; D81-S106 WeakPolarHBondContact O-CB 3.06Å; V83-S106 PolarHBondContact N-O 2.04Å; G104-S106 VanDerWaalsContact C-N 3.25Å; G104-S106 PolarHBondContact O-N 3.33Å; S106-A108 PolarHBondContact O-N 2.9Å; S106-A108 VanDerWaalsContact O-N 3.12Å; S106-A108 WeakPolarHBondContact OG-CB 3.24Å
107C98.5Very high96.2Very high0 Ų061.8 Ų61.80%036%0.358CS..SBendtrans5625.7-173.4-520000114.3N84 C96 C98 F102 T103 G104N84-C107 HydrophobicContact CB-CB 4.47Å; N84-C107 WeakPolarHBondContact CB-O 3.48Å; N84-C107 PolarHBondContact ND2-O 2.94Å; C96-C107 WeakPolarHBondContact CB-SG 3.33Å; C98-C107 WeakPolarHBondContact CA-SG 3.25Å; C98-C107 HydrophobicContact CB-CB 3.66Å; C98-C107 WeakPolarHBondContact CB-SG 3.24Å; C98-C107 PolarHBondContact N-SG 3.25Å; C98-C107 VanDerWaalsContact N-SG 3.39Å; C98-C107 WeakPolarHBondContact SG-CA 3.42Å; C98-C107 WeakPolarHBondContact SG-CB 3.04Å; C98-C107 CovalentContact SG-SG 2.03Å; C98-C107 PolarHBondContact SG-SG 3.42Å; F102-C107 HydrophobicContact CB-CB 4.42Å; T103-C107 CarbonylContact O-C 3.52Å; T103-C107 VanDerWaalsContact O-CA 3.28Å; T103-C107 WeakPolarHBondContact O-CA 3.27Å; G104-C107 PolarHBondContact O-N 2.77Å; G104-C107 VanDerWaalsContact O-N 3.07Å
108A98.3Very high95.8Very high53 Ų5366.8 Ų66.844%0.43839%0.386SS..  trans-84-11.4-178.700000113.5V83 S106V83-A108 HydrophobicContact CB-CB 4.34Å; V83-A108 HydrophobicContact CG2-CB 3.96Å; S106-A108 PolarHBondContact O-N 2.9Å; S106-A108 VanDerWaalsContact O-N 3.12Å; S106-A108 WeakPolarHBondContact OG-CB 3.24Å
109V96.8Very high95.5Very high83 Ų8367.3 Ų67.350%0.50338%0.382SS..EExtended strand (participates in β ladder)trans-95.8117.5-176.9-176.80000109.6F102 T103F102-V109 CarbonylContact C-O 3.39Å; F102-V109 VanDerWaalsContact CA-O 3.28Å; F102-V109 WeakPolarHBondContact CA-O 3.41Å; T103-V109 HydrophobicContact CG2-CB 3.82Å; T103-V109 HydrophobicContact CG2-CG1 3.9Å; T103-V109 PolarHBondContact N-O 3.45Å; T103-V109 WeakPolarHBondContact O-CB 3.41Å; T103-V109 PolarHBondContact O-N 3.25Å
110E95.5Very high95.4Very high115 Ų11566.8 Ų66.854%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-72.6132.8171.8-71.6-166.2167.700110.8F102 K131F102-E110 HydrophobicContact CD1-CG 3.79Å; F102-E110 HydrophobicContact CE1-CG 3.44Å; F102-E110 VanDerWaalsContact CE1-CG 3.44Å; F102-E110 HydrophobicContact CZ-CG 4.37Å; E110-K131 VanDerWaalsContact OE1-CE 3.29Å; E110-K131 WeakPolarHBondContact OE1-CE 3.37Å; E110-K131 IonicContact OE1-NZ 3.71Å; E110-K131 PolarHBondContact OE1-NZ 2.87Å
111L96.3Very high95.5Very high62 Ų6261.6 Ų61.633%0.32536%0.356SS..PPolyproline II helixtrans-83.6146.6172.6-67.4172.5000110.1G101 T103 Y116G101-L111 PolarHBondContact O-N 3.36Å; T103-L111 HydrophobicContact CG2-CD2 3.53Å; T103-L111 HydrophobicContact CG2-CG 4.07Å; L111-Y116 HydrophobicContact CB-CD1 3.65Å; L111-Y116 HydrophobicContact CB-CE1 4.21Å; L111-Y116 HydrophobicContact CB-CG 4.47Å; L111-Y116 HydrophobicContact CD1-CD1 4.47Å
112N95.3Very high95.5Very high69 Ų6963.4 Ų63.437%0.36937%0.37SS..PPolyproline II helixtrans-65.2127.6171.3-179.4-19.4000109.4C114 D115 Y116N112-C114 PolarHBondContact O-N 2.65Å; N112-C114 VanDerWaalsContact O-N 3.09Å; N112-C114 WeakPolarHBondContact OD1-CB 3.35Å; N112-C114 PolarHBondContact OD1-N 3.26Å; N112-D115 HydrophobicContact CB-CB 4.46Å; N112-D115 WeakPolarHBondContact CB-OD2 3.18Å; N112-D115 WeakPolarHBondContact O-CB 3.18Å; N112-D115 PolarHBondContact O-N 2.91Å; N112-Y116 VanDerWaalsContact O-CD1 3.26Å; N112-Y116 WeakPolarHBondContact O-CD1 3.29Å
113P95.5Very high95.5Very high6 Ų666.8 Ų66.84%0.03938%0.384CS..Hα-helixtrans-57-25.7179.423.2-35000114.3D115 Y116 L117 A128 P133P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 PolarHBondContact O-N 2.02Å; P113-Y116 HydrophobicContact CB-CE1 4.14Å; P113-L117 HydrophobicContact CB-CD1 4.01Å; P113-L117 VanDerWaalsContact O-CB 3.32Å; P113-L117 WeakPolarHBondContact O-CB 3.47Å; P113-L117 PolarHBondContact O-N 2.86Å; P113-A128 HydrophobicContact CG-CB 3.59Å; P113-P133 HydrophobicContact CB-CB 4.25Å; P113-P133 HydrophobicContact CB-CG 4.44Å
114C95.1Very high95.4Very high23 Ų2364.8 Ų64.816%0.15538%0.377CS..Hα-helixtrans-67.8-25173.9-67.20000113.5N112 C126 V127N112-C114 PolarHBondContact O-N 2.65Å; N112-C114 VanDerWaalsContact O-N 3.09Å; N112-C114 WeakPolarHBondContact OD1-CB 3.35Å; N112-C114 PolarHBondContact OD1-N 3.26Å; C114-C126 WeakPolarHBondContact CA-SG 3.5Å; C114-C126 HydrophobicContact CB-CB 3.71Å; C114-C126 WeakPolarHBondContact CB-SG 3.48Å; C114-C126 WeakPolarHBondContact SG-CB 3.36Å; C114-C126 CovalentContact SG-SG 2.04Å; C114-C126 PolarHBondContact SG-SG 2.03Å; C114-V127 VanDerWaalsContact SG-C 3.52Å; C114-V127 PolarHBondContact SG-N 3.21Å; C114-V127 VanDerWaalsContact SG-N 3.38Å
115D92.2Very high95.4Very high119 Ų11966.6 Ų66.664%0.63638%0.383SS*.Hα-helixtrans-89.8-30.6-173.4-61.9-18.5000112.3N112 P113N112-D115 HydrophobicContact CB-CB 4.46Å; N112-D115 WeakPolarHBondContact CB-OD2 3.18Å; N112-D115 WeakPolarHBondContact O-CB 3.18Å; N112-D115 PolarHBondContact O-N 2.91Å; P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 PolarHBondContact O-N 2.02Å
116Y93.2Very high95.4Very high69 Ų6963.9 Ų63.927%0.27136%0.358SS..Hα-helixtrans-109.9-18-174.178.8-95.9000115.4T100 L111 N112 P113T100-Y116 HydrophobicContact CG2-CD2 3.71Å; T100-Y116 HydrophobicContact CG2-CE2 3.56Å; L111-Y116 HydrophobicContact CB-CD1 3.65Å; L111-Y116 HydrophobicContact CB-CE1 4.21Å; L111-Y116 HydrophobicContact CB-CG 4.47Å; L111-Y116 HydrophobicContact CD1-CD1 4.47Å; N112-Y116 VanDerWaalsContact O-CD1 3.26Å; N112-Y116 WeakPolarHBondContact O-CD1 3.29Å; P113-Y116 HydrophobicContact CB-CE1 4.14Å
117L92.2Very high95.3Very high79 Ų7964 Ų6441%0.41436%0.358SS..SBendtrans-88.8-0.6179.6-68.4172.7000114.1P113 Y119 P133P113-L117 HydrophobicContact CB-CD1 4.01Å; P113-L117 VanDerWaalsContact O-CB 3.32Å; P113-L117 WeakPolarHBondContact O-CB 3.47Å; P113-L117 PolarHBondContact O-N 2.86Å; L117-Y119 PolarHBondContact O-N 3.35Å; L117-P133 HydrophobicContact CD1-CG 3.78Å
118L89.7Confident95.2Very high164 Ų16466.1 Ų66.186%0.85938%0.375SS*.  trans50.440.5-175.3-61173.7000112.3D120L118-D120 PolarHBondContact O-N 3.37Å; L118-D120 VanDerWaalsContact O-N 3.15Å
119Y93Very high94.9Very high56 Ų5670.3 Ų70.322%0.2238%0.383CS..  trans-79.199.5-173.9-157.8-107.3000110.8L117 C121 P133 C135 L144 H145L117-Y119 PolarHBondContact O-N 3.35Å; Y119-C121 PolarHBondContact O-N 3.49Å; Y119-P133 HydrophobicContact CD1-CB 3.7Å; Y119-P133 HydrophobicContact CD1-CG 3.83Å; Y119-P133 HydrophobicContact CD2-CB 4.48Å; Y119-P133 HydrophobicContact CD2-CG 3.75Å; Y119-P133 HydrophobicContact CE1-CB 4.29Å; Y119-P133 HydrophobicContact CE1-CG 4.24Å; Y119-P133 HydrophobicContact CE2-CG 4.21Å; Y119-P133 HydrophobicContact CG-CB 3.79Å; Y119-P133 HydrophobicContact CG-CG 3.54Å; Y119-C135 VanDerWaalsContact CE1-SG 3.53Å; Y119-L144 VanDerWaalsContact OH-CG 3.32Å; Y119-L144 WeakPolarHBondContact OH-CG 3.39Å; Y119-H145 AromaticContact CE1-CD2 3.76Å; Y119-H145 AromaticContact CE2-CD2 3.95Å; Y119-H145 AromaticContact CE2-NE2 3.3Å; Y119-H145 VanDerWaalsContact CE2-NE2 3.3Å; Y119-H145 WeakPolarHBondContact CE2-NE2 3.37Å; Y119-H145 AromaticContact CZ-CD2 3.4Å; Y119-H145 VanDerWaalsContact CZ-CD2 3.4Å; Y119-H145 AromaticContact CZ-NE2 3.18Å; Y119-H145 PolarHBondContact OH-CD2 2.85Å; Y119-H145 VanDerWaalsContact OH-CD2 3.26Å; Y119-H145 PolarHBondContact OH-NE2 3.3Å
120D95.3Very high94.6Very high115 Ų11569.4 Ų69.462%0.61539%0.39SS*.  trans-77.9119.2-178.1-177.315000111.6L118 A122 H145L118-D120 PolarHBondContact O-N 3.37Å; L118-D120 VanDerWaalsContact O-N 3.15Å; D120-A122 PolarHBondContact OD1-N 2.82Å; D120-H145 WeakPolarHBondContact O-CB 3.42Å
121C96Very high94.3Very high8 Ų869.9 Ų69.95%0.05439%0.391CS..  trans-99.613.8176.6-67.10000113.6Y119 K123 G124 C126 C135 H145 C146Y119-C121 PolarHBondContact O-N 3.49Å; C121-K123 CarbonylContact O-C 3.38Å; C121-K123 PolarHBondContact O-N 3.41Å; C121-G124 WeakPolarHBondContact O-CA 3.27Å; C121-G124 PolarHBondContact O-N 3.5Å; C121-C126 VanDerWaalsContact SG-CA 3.56Å; C121-C135 WeakPolarHBondContact CA-SG 3.39Å; C121-C135 HydrophobicContact CB-CB 3.65Å; C121-C135 WeakPolarHBondContact CB-SG 3.32Å; C121-C135 WeakPolarHBondContact SG-CA 3.08Å; C121-C135 WeakPolarHBondContact SG-CB 3.16Å; C121-C135 CovalentContact SG-SG 2.03Å; C121-C135 PolarHBondContact SG-SG 2.97Å; C121-H145 CarbonylContact C-O 3.53Å; C121-C146 WeakPolarHBondContact O-CB 3.4Å
122A95.8Very high94.1Very high46 Ų4671.8 Ų71.838%0.3840%0.4SS..SBendtrans42.4-84.4175.800000115.4D120 H145D120-A122 PolarHBondContact OD1-N 2.82Å; A122-H145 WeakPolarHBondContact CB-O 3.39Å
123K95.8Very high94.1Very high102 Ų10269.1 Ų69.144%0.44339%0.387SS..SBendtrans-111.453.2175-61.5-69.3175-70.70111.2C121 L138 Y141C121-K123 CarbonylContact O-C 3.38Å; C121-K123 PolarHBondContact O-N 3.41Å; K123-L138 HydrophobicContact CB-CD1 4.49Å; K123-L138 WeakPolarHBondContact O-CB 3.43Å; K123-L138 WeakPolarHBondContact O-CG 2.97Å; K123-L138 PolarHBondContact O-N 3.09Å; K123-Y141 HydrophobicContact CB-CD1 3.67Å; K123-Y141 HydrophobicContact CB-CD2 3.89Å; K123-Y141 HydrophobicContact CB-CE1 3.82Å; K123-Y141 HydrophobicContact CB-CE2 4.01Å; K123-Y141 HydrophobicContact CB-CG 3.71Å; K123-Y141 HydrophobicContact CG-CD1 3.96Å; K123-Y141 HydrophobicContact CG-CE1 3.62Å; K123-Y141 HydrophobicContact CG-CE2 4.31Å; K123-Y141 HydrophobicContact CG-CG 4.45Å
124G96Very high94.1Very high21 Ų2173.4 Ų73.422%0.21641%0.405CS..EExtended strand (participates in β ladder)trans-163.1177.6-177.900000111.7C121 L136C121-G124 WeakPolarHBondContact O-CA 3.27Å; C121-G124 PolarHBondContact O-N 3.5Å; G124-L136 CarbonylContact C-O 3.39Å; G124-L136 WeakPolarHBondContact CA-O 3.41Å
125S96.7Very high94.3Very high73 Ų7372.6 Ų72.651%0.5140%0.399SS..EExtended strand (participates in β ladder)trans-113.4131.6176.6-58.10000109.9L136S125-L136 PolarHBondContact N-O 3.2Å; S125-L136 PolarHBondContact O-N 2.9Å
126C97.5Very high94.5Very high39 Ų3971.1 Ų71.126%0.26439%0.391SS..EExtended strand (participates in β ladder)trans-72.1134.2172.2-171.40000109.9C114 C121C114-C126 WeakPolarHBondContact CA-SG 3.5Å; C114-C126 HydrophobicContact CB-CB 3.71Å; C114-C126 WeakPolarHBondContact CB-SG 3.48Å; C114-C126 WeakPolarHBondContact SG-CB 3.36Å; C114-C126 CovalentContact SG-SG 2.04Å; C114-C126 PolarHBondContact SG-SG 2.03Å; C121-C126 VanDerWaalsContact SG-CA 3.56Å
127V96.6Very high94.7Very high43 Ų4370.1 Ų70.126%0.26139%0.394SS..EExtended strand (participates in β ladder)trans-131.7144.5170.3-60.50000109.9C114 F134 L136C114-V127 VanDerWaalsContact SG-C 3.52Å; C114-V127 PolarHBondContact SG-N 3.21Å; C114-V127 VanDerWaalsContact SG-N 3.38Å; V127-F134 HydrophobicContact CG2-CB 4.28Å; V127-F134 HydrophobicContact CG2-CD1 4.17Å; V127-F134 WeakPolarHBondContact CG2-O 3.42Å; V127-F134 PolarHBondContact N-O 3.39Å; V127-F134 PolarHBondContact O-N 3.49Å; V127-L136 HydrophobicContact CG1-CD1 3.65Å; V127-L136 HydrophobicContact CG1-CG 4.07Å; V127-L136 HydrophobicContact CG2-CD1 4.06Å; V127-L136 HydrophobicContact CG2-CD2 4.3Å; V127-L136 HydrophobicContact CG2-CG 3.82Å
128A95.3Very high94.8Very high44 Ų4470.6 Ų70.636%0.36440%0.396SS..EExtended strand (participates in β ladder)trans-78.1131.9174.500000111.2P113P113-A128 HydrophobicContact CG-CB 3.59Å
129K92.8Very high95.1Very high140 Ų14068.6 Ų68.661%0.60939%0.393SS*.EExtended strand (participates in β ladder)trans-11479.9165.6-67.7-66-175.2-178.70108K131 I132 F134K129-K131 PolarHBondContact O-N 3.44Å; K129-I132 PolarHBondContact N-O 2.91Å; K129-I132 PolarHBondContact O-N 3.09Å; K129-F134 HydrophobicContact CG-CB 3.88Å; K129-F134 HydrophobicContact CG-CG 4.41Å
130G89.9Confident95.1Very high64 Ų6467.7 Ų67.766%0.6640%0.401SS*.THydrogen-bonded Turntrans66-125-166.500000110.1I132G130-I132 VanDerWaalsContact C-N 3.31Å; G130-I132 PolarHBondContact O-N 2.68Å
131K89.9Confident95.1Very high125 Ų12566.2 Ų66.254%0.54339%0.387SS..THydrogen-bonded Turntrans-86.85.1-179.2-56.8-165.5176.1-1560114.4E110 K129E110-K131 VanDerWaalsContact OE1-CE 3.29Å; E110-K131 WeakPolarHBondContact OE1-CE 3.37Å; E110-K131 IonicContact OE1-NZ 3.71Å; E110-K131 PolarHBondContact OE1-NZ 2.87Å; K129-K131 PolarHBondContact O-N 3.44Å
132I91.6Very high95Very high103 Ų10368.6 Ų68.653%0.52840%0.402SS..EExtended strand (participates in β ladder)trans-115.2130.3-175.6-56.8176000109.2K129 G130K129-I132 PolarHBondContact N-O 2.91Å; K129-I132 PolarHBondContact O-N 3.09Å; G130-I132 VanDerWaalsContact C-N 3.31Å; G130-I132 PolarHBondContact O-N 2.68Å
133P95.9Very high94.8Very high12 Ų1267.7 Ų67.78%0.07840%0.397CS..EExtended strand (participates in β ladder)trans-77.2145172.732.9-32.3000110.6P113 L117 Y119P113-P133 HydrophobicContact CB-CB 4.25Å; P113-P133 HydrophobicContact CB-CG 4.44Å; L117-P133 HydrophobicContact CD1-CG 3.78Å; Y119-P133 HydrophobicContact CD1-CB 3.7Å; Y119-P133 HydrophobicContact CD1-CG 3.83Å; Y119-P133 HydrophobicContact CD2-CB 4.48Å; Y119-P133 HydrophobicContact CD2-CG 3.75Å; Y119-P133 HydrophobicContact CE1-CB 4.29Å; Y119-P133 HydrophobicContact CE1-CG 4.24Å; Y119-P133 HydrophobicContact CE2-CG 4.21Å; Y119-P133 HydrophobicContact CG-CB 3.79Å; Y119-P133 HydrophobicContact CG-CG 3.54Å
134F96.1Very high94.6Very high96 Ų9668.2 Ų68.242%0.42140%0.404SS..EExtended strand (participates in β ladder)trans-138.7137.7179.5-178.2-101000110.3V127 K129 L136V127-F134 HydrophobicContact CG2-CB 4.28Å; V127-F134 HydrophobicContact CG2-CD1 4.17Å; V127-F134 WeakPolarHBondContact CG2-O 3.42Å; V127-F134 PolarHBondContact N-O 3.39Å; V127-F134 PolarHBondContact O-N 3.49Å; K129-F134 HydrophobicContact CG-CB 3.88Å; K129-F134 HydrophobicContact CG-CG 4.41Å; F134-L136 HydrophobicContact CD1-CD2 3.97Å; F134-L136 HydrophobicContact CE1-CD2 3.77Å
135C97.8Very high94.6Very high6 Ų670.6 Ų70.64%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-92.2125.5179.2-60.70000112Y119 C121 L144 C146Y119-C135 VanDerWaalsContact CE1-SG 3.53Å; C121-C135 WeakPolarHBondContact CA-SG 3.39Å; C121-C135 HydrophobicContact CB-CB 3.65Å; C121-C135 WeakPolarHBondContact CB-SG 3.32Å; C121-C135 WeakPolarHBondContact SG-CA 3.08Å; C121-C135 WeakPolarHBondContact SG-CB 3.16Å; C121-C135 CovalentContact SG-SG 2.03Å; C121-C135 PolarHBondContact SG-SG 2.97Å; C135-L144 WeakPolarHBondContact CB-O 3.5Å; C135-C146 VanDerWaalsContact CB-SG 3.51Å
136L97.6Very high94.6Very high88 Ų8867.1 Ų67.146%0.46139%0.385SS..EExtended strand (participates in β ladder)trans-90.6107.2165.1-61.4-178.7000108.9G124 S125 V127 F134G124-L136 CarbonylContact C-O 3.39Å; G124-L136 WeakPolarHBondContact CA-O 3.41Å; S125-L136 PolarHBondContact N-O 3.2Å; S125-L136 PolarHBondContact O-N 2.9Å; V127-L136 HydrophobicContact CG1-CD1 3.65Å; V127-L136 HydrophobicContact CG1-CG 4.07Å; V127-L136 HydrophobicContact CG2-CD1 4.06Å; V127-L136 HydrophobicContact CG2-CD2 4.3Å; V127-L136 HydrophobicContact CG2-CG 3.82Å; F134-L136 HydrophobicContact CD1-CD2 3.97Å; F134-L136 HydrophobicContact CE1-CD2 3.77Å
137C96.5Very high94.5Very high48 Ų4870 Ų7032%0.32439%0.394SS..EExtended strand (participates in β ladder)trans-74.1140.5-176.4-54.10000112.6C146C137-C146 WeakPolarHBondContact CA-SG 3.43Å; C137-C146 HydrophobicContact CB-CB 3.65Å; C137-C146 WeakPolarHBondContact CB-SG 3.16Å; C137-C146 PolarHBondContact N-SG 3.5Å; C137-C146 VanDerWaalsContact N-SG 3.39Å; C137-C146 WeakPolarHBondContact SG-CA 3.02Å; C137-C146 WeakPolarHBondContact SG-CB 3.42Å; C137-C146 CovalentContact SG-SG 2.03Å; C137-C146 PolarHBondContact SG-SG 2.89Å
138L95.4Very high94.3Very high89 Ų8972.7 Ų72.747%0.46640%0.404SS..PPolyproline II helixtrans-61.4153.9167.8-66.3175000110.3K123 G140 Y141K123-L138 HydrophobicContact CB-CD1 4.49Å; K123-L138 WeakPolarHBondContact O-CB 3.43Å; K123-L138 WeakPolarHBondContact O-CG 2.97Å; K123-L138 PolarHBondContact O-N 3.09Å; L138-G140 PolarHBondContact O-N 3.4Å; L138-Y141 HydrophobicContact CB-CD2 4Å; L138-Y141 PolarHBondContact O-N 2.9Å
139P94.8Very high94Very high123 Ų12371.8 Ų71.880%0.79940%0.399SS*.THydrogen-bonded Turntrans-52.2134.8176.2-27.235.4000112.1
140G93.2Very high93.6Very high37 Ų3770.4 Ų70.438%0.38139%0.393SS..THydrogen-bonded Turntrans86.3-1.7-176.300000115.2L138 G149 K150L138-G140 PolarHBondContact O-N 3.4Å; G140-G149 CarbonylContact O-C 3.57Å; G140-G149 WeakPolarHBondContact O-CA 3.03Å; G140-K150 WeakPolarHBondContact O-CG 3.15Å; G140-K150 PolarHBondContact O-N 3.12Å
141Y95.2Very high92.6Very high83 Ų8371.7 Ų71.733%0.32539%0.392SS..EExtended strand (participates in β ladder)trans-114.3153176.6-62.8-89.1000112.9K123 L138 Q148 K150K123-Y141 HydrophobicContact CB-CD1 3.67Å; K123-Y141 HydrophobicContact CB-CD2 3.89Å; K123-Y141 HydrophobicContact CB-CE1 3.82Å; K123-Y141 HydrophobicContact CB-CE2 4.01Å; K123-Y141 HydrophobicContact CB-CG 3.71Å; K123-Y141 HydrophobicContact CG-CD1 3.96Å; K123-Y141 HydrophobicContact CG-CE1 3.62Å; K123-Y141 HydrophobicContact CG-CE2 4.31Å; K123-Y141 HydrophobicContact CG-CG 4.45Å; L138-Y141 HydrophobicContact CB-CD2 4Å; L138-Y141 PolarHBondContact O-N 2.9Å; Y141-Q148 CarbonylContact C-O 3.51Å; Y141-Q148 WeakPolarHBondContact CA-O 3.44Å; Y141-K150 WeakPolarHBondContact O-CE 3.49Å
142T93.5Very high91Very high59 Ų5972.5 Ų72.536%0.36240%0.398SS..EExtended strand (participates in β ladder)trans-151.1177.8-179.8-167.60000110.1C146 E147 Q148 K150T142-C146 CarbonylContact O-C 3.45Å; T142-C146 WeakPolarHBondContact O-CA 3.22Å; T142-E147 PolarHBondContact O-N 3.1Å; T142-Q148 HydrophobicContact CG2-CB 3.83Å; T142-Q148 PolarHBondContact N-O 3.44Å; T142-Q148 WeakPolarHBondContact O-CB 3.27Å; T142-Q148 PolarHBondContact O-N 2.88Å; T142-K150 HydrophobicContact CG2-CG 4.28Å
143G91.7Very high89.2Confident27 Ų2777.4 Ų77.428%0.27841%0.41SS..SBendtrans101.6166.7-17200000111.4H145 C146G143-H145 PolarHBondContact O-N 2.9Å; G143-C146 PolarHBondContact O-N 2.93Å
144L93Very high87Confident112 Ų11283.3 Ų83.359%0.58644%0.441SS*.THydrogen-bonded Turntrans-64.8-33.3-179.9-17964.5000111.3Y119 C135Y119-L144 VanDerWaalsContact OH-CG 3.32Å; Y119-L144 WeakPolarHBondContact OH-CG 3.39Å; C135-L144 WeakPolarHBondContact CB-O 3.5Å
145H96Very high84.7Confident72 Ų7283 Ų8333%0.33345%0.447SS..THydrogen-bonded Turntrans-112.717.8-179.3-60.3160.1000112Y119 D120 C121 A122 G143 E147Y119-H145 AromaticContact CE1-CD2 3.76Å; Y119-H145 AromaticContact CE2-CD2 3.95Å; Y119-H145 AromaticContact CE2-NE2 3.3Å; Y119-H145 VanDerWaalsContact CE2-NE2 3.3Å; Y119-H145 WeakPolarHBondContact CE2-NE2 3.37Å; Y119-H145 AromaticContact CZ-CD2 3.4Å; Y119-H145 VanDerWaalsContact CZ-CD2 3.4Å; Y119-H145 AromaticContact CZ-NE2 3.18Å; Y119-H145 PolarHBondContact OH-CD2 2.85Å; Y119-H145 VanDerWaalsContact OH-CD2 3.26Å; Y119-H145 PolarHBondContact OH-NE2 3.3Å; D120-H145 WeakPolarHBondContact O-CB 3.42Å; C121-H145 CarbonylContact C-O 3.53Å; A122-H145 WeakPolarHBondContact CB-O 3.39Å; G143-H145 PolarHBondContact O-N 2.9Å; H145-E147 VanDerWaalsContact C-OE2 3.3Å; H145-E147 WeakPolarHBondContact CA-OE2 3.11Å; H145-E147 PolarHBondContact N-OE2 3.16Å; H145-E147 VanDerWaalsContact N-OE2 3.11Å; H145-E147 PolarHBondContact O-N 3.44Å; H145-E147 VanDerWaalsContact O-N 3.16Å
146C96.5Very high82.2Confident0 Ų089 Ų890%049%0.488CS..SBendtrans55.131-179.7-50.60000114.3C121 C135 C137 T142 G143C121-C146 WeakPolarHBondContact O-CB 3.4Å; C135-C146 VanDerWaalsContact CB-SG 3.51Å; C137-C146 WeakPolarHBondContact CA-SG 3.43Å; C137-C146 HydrophobicContact CB-CB 3.65Å; C137-C146 WeakPolarHBondContact CB-SG 3.16Å; C137-C146 PolarHBondContact N-SG 3.5Å; C137-C146 VanDerWaalsContact N-SG 3.39Å; C137-C146 WeakPolarHBondContact SG-CA 3.02Å; C137-C146 WeakPolarHBondContact SG-CB 3.42Å; C137-C146 CovalentContact SG-SG 2.03Å; C137-C146 PolarHBondContact SG-SG 2.89Å; T142-C146 CarbonylContact O-C 3.45Å; T142-C146 WeakPolarHBondContact O-CA 3.22Å; G143-C146 PolarHBondContact O-N 2.93Å
147E95.1Very high79.8Confident98 Ų9890.5 Ų90.546%0.45850%0.5SS..  trans-82.8-16.9-174.674.5-70.9173.200113.3T142 H145T142-E147 PolarHBondContact O-N 3.1Å; H145-E147 VanDerWaalsContact C-OE2 3.3Å; H145-E147 WeakPolarHBondContact CA-OE2 3.11Å; H145-E147 PolarHBondContact N-OE2 3.16Å; H145-E147 VanDerWaalsContact N-OE2 3.11Å; H145-E147 PolarHBondContact O-N 3.44Å; H145-E147 VanDerWaalsContact O-N 3.16Å
148Q92.8Very high77.6Confident101 Ų10193.1 Ų93.147%0.47252%0.519SS..EExtended strand (participates in β ladder)trans-104.8133-170.4-53.4173.912.300111.5Y141 T142Y141-Q148 CarbonylContact C-O 3.51Å; Y141-Q148 WeakPolarHBondContact CA-O 3.44Å; T142-Q148 HydrophobicContact CG2-CB 3.83Å; T142-Q148 PolarHBondContact N-O 3.44Å; T142-Q148 WeakPolarHBondContact O-CB 3.27Å; T142-Q148 PolarHBondContact O-N 2.88Å
149G88.7Confident75.2Confident25 Ų2596.2 Ų96.226%0.25854%0.536SS..EExtended strand (participates in β ladder)trans-81.5132.2170.900000112G140 S151 Q152G140-G149 CarbonylContact O-C 3.57Å; G140-G149 WeakPolarHBondContact O-CA 3.03Å; G149-S151 PolarHBondContact O-N 2.85Å; G149-Q152 WeakPolarHBondContact O-CB 3.05Å; G149-Q152 PolarHBondContact O-N 3.35Å
150K84.7Confident72.8Confident111 Ų111101.8 Ų101.848%0.48354%0.541SS..G310 helixtrans-63.9-24.5178.2-67-178-172.5-176.70113.4G140 Y141 T142 Q152 W153G140-K150 WeakPolarHBondContact O-CG 3.15Å; G140-K150 PolarHBondContact O-N 3.12Å; Y141-K150 WeakPolarHBondContact O-CE 3.49Å; T142-K150 HydrophobicContact CG2-CG 4.28Å; K150-Q152 PolarHBondContact O-N 2.04Å; K150-W153 WeakPolarHBondContact O-CA 3.42Å; K150-W153 WeakPolarHBondContact O-CB 3.21Å; K150-W153 PolarHBondContact O-N 2.77Å
151S68.6Low70.4Confident90 Ų90109.2 Ų109.263%0.62957%0.566SS**G310 helixtrans-65.5-23.1176.757.20000113.4G149 W153 N154G149-S151 PolarHBondContact O-N 2.85Å; S151-W153 PolarHBondContact O-N 3.33Å; S151-N154 PolarHBondContact O-N 2.03Å
152Q57.1Low67.9Low143 Ų143112.9 Ų112.967%0.66859%0.588SS**G310 helixtrans-71.2-22.2172.2-62.8-81.2-53.700111.6G149 K150 N154 T155G149-Q152 WeakPolarHBondContact O-CB 3.05Å; G149-Q152 PolarHBondContact O-N 3.35Å; K150-Q152 PolarHBondContact O-N 2.04Å; Q152-N154 PolarHBondContact O-N 3.12Å; Q152-T155 PolarHBondContact O-N 3.36Å; Q152-T155 VanDerWaalsContact O-N 3.14Å; Q152-T155 PolarHBondContact O-OG1 2.99Å
153W53.7Low65.4Low205 Ų205116.1 Ų116.178%0.77761%0.61SS**G310 helixtrans-71.5-11.2177.3-145.275.9000112.9K150 S151 T155K150-W153 WeakPolarHBondContact O-CA 3.42Å; K150-W153 WeakPolarHBondContact O-CB 3.21Å; K150-W153 PolarHBondContact O-N 2.77Å; S151-W153 PolarHBondContact O-N 3.33Å; W153-T155 PolarHBondContact O-N 2.88Å
154N49.7Very low62.9Low137 Ų137122.4 Ų122.473%0.73363%0.629SS**G310 helixtrans-74.8-2.5170.8-63-2.3000112.7S151 Q152S151-N154 PolarHBondContact O-N 2.03Å; Q152-N154 PolarHBondContact O-N 3.12Å
155T47.3Very low60.4Low89 Ų89119.7 Ų119.755%0.54662%0.62SS.*SBendtrans-93.3100167.662.70000108.4Q152 W153 T157Q152-T155 PolarHBondContact O-N 3.36Å; Q152-T155 VanDerWaalsContact O-N 3.14Å; Q152-T155 PolarHBondContact O-OG1 2.99Å; W153-T155 PolarHBondContact O-N 2.88Å; T155-T157 PolarHBondContact O-N 3.18Å
156C45.1Very low58Low133 Ų133121 Ų12190%0.89964%0.635SS**  trans-60.781.3161.9-65.80000108.5
157T48.1Very low55.5Low118 Ų118127.6 Ų127.672%0.72467%0.67SS**  trans-85.9105.3155.747.30000105.2T155T155-T157 PolarHBondContact O-N 3.18Å
158S49.4Very low53.2Low103 Ų103128.9 Ų128.972%0.7268%0.676SS**SBendtrans-44.5135.9175.751.50000111.5
159D45.7Very low50.7Low154 Ų154131.5 Ų131.582%0.82469%0.688SS**  trans69.556.4158-62.7-41000119.7
160R43.9Very low48.4Very low241 Ų241140.7 Ų140.791%0.90972%0.715SS**  trans-125.7102.1143.2-69.3-171.5-163.9-178.36.2110.8M162R160-M162 PolarHBondContact O-N 3.29Å
161Q42.6Very low46.3Very low192 Ų192139.3 Ų139.390%0.89772%0.719SS**  trans-42.2128.6162.5-84.8159.9-32.300109.5
162M42.5Very low45.2Very low161 Ų161142.7 Ų142.779%0.79373%0.729SS**PPolyproline II helixtrans-50.4127.9172.5-60.7176.982.300108R160 K164R160-M162 PolarHBondContact O-N 3.29Å; M162-K164 PolarHBondContact O-N 3.09Å
163P40.8Very low44.3Very low126 Ų126146.6 Ų146.682%0.81874%0.738SS**PPolyproline II helixtrans-58116.8168.322.4-28.6000106.5S165P163-S165 PolarHBondContact O-N 3Å
164K40.1Very low43.8Very low159 Ų159144.9 Ų144.969%0.69174%0.739SS**PPolyproline II helixtrans-52134.6170.3-70.6-173.5178.4-179.40106.7M162M162-K164 PolarHBondContact O-N 3.09Å
165S40.8Very low43.3Very low56 Ų56148.8 Ų148.839%0.39274%0.743SS.*PPolyproline II helixtrans-52.7138.9176.969.80000108.9P163 L167 Q168P163-S165 PolarHBondContact O-N 3Å; S165-L167 PolarHBondContact O-N 3.18Å; S165-Q168 PolarHBondContact O-N 2.94Å
166P45.5Very low42.8Very low98 Ų98155.6 Ų155.664%0.63676%0.759SS**G310 helixtrans-52.5-24.8177.9-28.634.9000113.7Q168 E169P166-Q168 VanDerWaalsContact C-N 3.26Å; P166-Q168 PolarHBondContact O-N 3.24Å; P166-E169 PolarHBondContact O-N 2.88Å
167L43.6Very low42.4Very low140 Ų140160 Ų16073%0.73376%0.756SS**G310 helixtrans-66.4-20.3176.9-71.9166.6000114.4S165S165-L167 PolarHBondContact O-N 3.18Å
168Q45.7Very low42.4Very low125 Ų125160.3 Ų160.358%0.58475%0.754SS**G310 helixtrans-86.2-14.7177-69.5-168.7-62.200113.3S165 P166 S171S165-Q168 PolarHBondContact O-N 2.94Å; P166-Q168 VanDerWaalsContact C-N 3.26Å; P166-Q168 PolarHBondContact O-N 3.24Å; Q168-S171 PolarHBondContact O-OG 3.35Å
169E42.1Very low42.1Very low155 Ų155167.9 Ų167.972%0.72478%0.778SS**G310 helixtrans-87.4-11.8-174.5-151.5148.4-143.700113.6P166P166-E169 PolarHBondContact O-N 2.88Å
170W38.8Very low41.9Very low218 Ų218168.6 Ų168.683%0.82678%0.776SS**G310 helixtrans-88.32.3177.3-70.892.8000114.9
171S41.5Very low41.8Very low83 Ų83164.8 Ų164.858%0.5877%0.769SS**G310 helixtrans-97.33.9-17664.40000115.7Q168Q168-S171 PolarHBondContact O-OG 3.35Å
172L44.5Very low41.8Very low160 Ų160163.3 Ų163.384%0.83876%0.761SS**SBendtrans-123.816.2-178.9-68.6176.8000115.4
173R39.3Very low41.7Very low226 Ų226163.4 Ų163.485%0.85376%0.76SS**  trans-103.457.1165.8-68.4-172.9-168.8-105.71.9110.7
174E42.3Very low41.8Very low169 Ų169165.8 Ų165.879%0.7976%0.756SS**  trans-89.7109160-74-171.5170.900109.2R176E174-R176 PolarHBondContact O-N 2.68Å
175W39.6Very low41.9Very low218 Ų218166.2 Ų166.283%0.82676%0.76SS**  trans3582.4140.4-54.990.4000116.8R177W175-R177 PolarHBondContact O-N 3.24Å
176R37.4Very low42Very low233 Ų233174.1 Ų174.188%0.87979%0.787SS**  trans-71.485150.7-147.8-177-65.5-148.10.9107.3E174 D178E174-R176 PolarHBondContact O-N 2.68Å; R176-D178 VanDerWaalsContact C-N 3.31Å; R176-D178 PolarHBondContact O-N 2.96Å
177R37Very low41.7Very low224 Ų224179.9 Ų179.985%0.84580%0.798SS**  trans-94.471167.4-159.3-170.5-110.3-168.7-0.8106.3W175W175-R177 PolarHBondContact O-N 3.24Å
178D46.4Very low41.5Very low125 Ų125183.3 Ų183.367%0.66880%0.804SS**  trans-106.2119.4166-84.6-46.7000107.4R176R176-D178 VanDerWaalsContact C-N 3.31Å; R176-D178 PolarHBondContact O-N 2.96Å
179Q43.8Very low41.2Very low263 Ų263188.5 Ų188.5100%1.22982%0.823SS**  trans80.60166.7-50.6-81.2-7800116.7

Retrieved 179 of 179 residues in 208.8 ms (Link to these results)

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