A0A096MFJ0_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A096MFJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 110 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
1M53.6Low76.2Confident199 Ų19983.6 Ų83.698%0.9847%0.467SS*.  0111.50-155.8168.7-177.500107.8E6M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 WeakPolarHBondContact CE-OE2 3.32Å; M1-E6 VanDerWaalsContact CG-CD 3.43Å; M1-E6 WeakPolarHBondContact CG-OE1 3.28Å; M1-E6 WeakPolarHBondContact CG-OE2 3.46Å
2C64.5Low77.5Confident24 Ų2480.1 Ų80.116%0.16244%0.443CS..  trans-112.1106.4176.9177.50000107.5Y4 T5 E6 H51C2-Y4 PolarHBondContact O-N 3.14Å; C2-T5 HydrophobicContact CB-CG2 4.26Å; C2-T5 WeakPolarHBondContact CB-OG1 3.23Å; C2-T5 PolarHBondContact O-N 3.19Å; C2-T5 PolarHBondContact O-OG1 3.44Å; C2-E6 PolarHBondContact N-OE1 3.33Å; C2-E6 WeakPolarHBondContact O-CG 3.24Å; C2-E6 PolarHBondContact O-N 2.7Å; C2-H51 VanDerWaalsContact SG-CB 3.56Å
3L71.8Confident78.6Confident91 Ų9176.8 Ų76.848%0.47643%0.428SS..THydrogen-bonded Turntrans-56.9-26.3-176.7-60.9176.6000112.7D7 A8 F12L3-D7 PolarHBondContact O-N 3.14Å; L3-A8 HydrophobicContact CB-CB 4.38Å; L3-A8 HydrophobicContact CD2-CB 3.79Å; L3-A8 PolarHBondContact O-N 3.05Å; L3-F12 HydrophobicContact CB-CD2 3.88Å; L3-F12 HydrophobicContact CB-CE2 3.65Å; L3-F12 HydrophobicContact CD1-CE2 4.48Å
4Y76.1Confident79.7Confident24 Ų2473.2 Ų73.29%0.09441%0.411CS..THydrogen-bonded Turntrans-70.7-47.3174177.5-91.7000112.6C2 E6 D7 F12 K16 D53 Y54 L57C2-Y4 PolarHBondContact O-N 3.14Å; Y4-E6 VanDerWaalsContact C-N 3.29Å; Y4-E6 PolarHBondContact O-N 2.88Å; Y4-D7 PolarHBondContact O-N 3.17Å; Y4-F12 HydrophobicContact CD2-CB 4.02Å; Y4-F12 AromaticContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CE1 4.39Å; Y4-F12 HydrophobicContact CD2-CG 4.03Å; Y4-F12 HydrophobicContact CG-CD1 4.35Å; Y4-K16 HydrophobicContact CE2-CD 4.09Å; Y4-K16 HydrophobicContact CE2-CG 3.89Å; Y4-K16 WeakPolarHBondContact O-CE 3.5Å; Y4-K16 PolarHBondContact O-NZ 3.37Å; Y4-D53 HydrophobicContact CD1-CB 3.72Å; Y4-D53 VanDerWaalsContact CE1-C 3.48Å; Y4-D53 HydrophobicContact CE1-CB 3.33Å; Y4-D53 PolarHBondContact OH-O 2.87Å; Y4-Y54 AromaticContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CD2 3.44Å; Y4-Y54 VanDerWaalsContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CE2 4.31Å; Y4-Y54 AromaticContact CD2-CG 3.86Å; Y4-Y54 HydrophobicContact CD2-CG 3.86Å; Y4-Y54 AromaticContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CE2 4.27Å; Y4-Y54 HydrophobicContact CE2-CG 4.12Å; Y4-Y54 HydrophobicContact CG-CD2 4.38Å; Y4-Y54 HydrophobicContact CG-CG 4.39Å; Y4-L57 HydrophobicContact CE2-CD1 4.25Å; Y4-L57 VanDerWaalsContact OH-CB 3.3Å; Y4-L57 WeakPolarHBondContact OH-CB 3.33Å; Y4-L57 WeakPolarHBondContact OH-CD1 3.23Å
5T73.2Confident80.6Confident70 Ų7068.6 Ų68.643%0.42939%0.385SS..THydrogen-bonded Turntrans-72.1-28-179.1560000112.2C2 D7 D53C2-T5 HydrophobicContact CB-CG2 4.26Å; C2-T5 WeakPolarHBondContact CB-OG1 3.23Å; C2-T5 PolarHBondContact O-N 3.19Å; C2-T5 PolarHBondContact O-OG1 3.44Å; T5-D7 VanDerWaalsContact C-N 3.3Å; T5-D53 VanDerWaalsContact CG2-OD2 3.27Å; T5-D53 WeakPolarHBondContact CG2-OD2 3.04Å
6E77.1Confident81.3Confident85 Ų8568.1 Ų68.140%0.39738%0.377SS..THydrogen-bonded Turntrans-87.80.4-178.7-67.1164.4-153.500113M1 C2 Y4 A8M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 WeakPolarHBondContact CE-OE2 3.32Å; M1-E6 VanDerWaalsContact CG-CD 3.43Å; M1-E6 WeakPolarHBondContact CG-OE1 3.28Å; M1-E6 WeakPolarHBondContact CG-OE2 3.46Å; C2-E6 PolarHBondContact N-OE1 3.33Å; C2-E6 WeakPolarHBondContact O-CG 3.24Å; C2-E6 PolarHBondContact O-N 2.7Å; Y4-E6 VanDerWaalsContact C-N 3.29Å; Y4-E6 PolarHBondContact O-N 2.88Å; E6-A8 HydrophobicContact CB-CB 4.35Å; E6-A8 PolarHBondContact O-N 2.67Å; E6-A8 VanDerWaalsContact O-N 3.08Å
7D78.4Confident82.1Confident81 Ų8175.8 Ų75.843%0.43340%0.399SS..THydrogen-bonded Turntrans48.835.8-174.8-81.6-50.7000113.1L3 Y4 T5 P13 K16L3-D7 PolarHBondContact O-N 3.14Å; Y4-D7 PolarHBondContact O-N 3.17Å; T5-D7 VanDerWaalsContact C-N 3.3Å; D7-P13 HydrophobicContact CB-CG 4.15Å; D7-P13 WeakPolarHBondContact O-CG 3.31Å; D7-K16 VanDerWaalsContact OD1-CD 3.23Å; D7-K16 WeakPolarHBondContact OD1-CD 3.31Å; D7-K16 WeakPolarHBondContact OD1-CE 3.29Å; D7-K16 IonicContact OD1-NZ 3.77Å; D7-K16 PolarHBondContact OD1-NZ 3.48Å; D7-K16 IonicContact OD2-NZ 2.68Å; D7-K16 PolarHBondContact OD2-NZ 3.11Å; D7-K16 VanDerWaalsContact OD2-NZ 3.1Å
8A79.2Confident82.8Confident33 Ų3375.3 Ų75.327%0.27340%0.397SS..  trans-82.7139-175.200000111.4L3 E6L3-A8 HydrophobicContact CB-CB 4.38Å; L3-A8 HydrophobicContact CD2-CB 3.79Å; L3-A8 PolarHBondContact O-N 3.05Å; E6-A8 HydrophobicContact CB-CB 4.35Å; E6-A8 PolarHBondContact O-N 2.67Å; E6-A8 VanDerWaalsContact O-N 3.08Å
9G86.1Confident83.5Confident64 Ų6472.8 Ų72.866%0.6639%0.385SS*.SBendtrans74.6-166.5-179.700000113.4P13G9-P13 WeakPolarHBondContact O-CD 3.27Å; G9-P13 WeakPolarHBondContact O-CG 2.8Å
10T87.4Confident84.2Confident116 Ų11672.5 Ų72.571%0.71239%0.393SS*.SBendtrans-99.2-26.1-175.453.70000113.4S14T10-S14 WeakPolarHBondContact O-CB 3.45Å; T10-S14 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-OG 3.44Å
11Y90.6Very high84.8Confident133 Ų13377.9 Ų77.952%0.52241%0.408SS..Hα-helixtrans-66.6-61.5-171.8177.2-98.8000113S14 I15 Y54Y11-S14 PolarHBondContact O-N 2.85Å; Y11-I15 HydrophobicContact CD1-CD1 4.2Å; Y11-I15 HydrophobicContact CD2-CD1 4.17Å; Y11-I15 HydrophobicContact CE1-CD1 3.63Å; Y11-I15 HydrophobicContact CE2-CD1 3.61Å; Y11-I15 HydrophobicContact CG-CD1 4.45Å; Y11-I15 PolarHBondContact O-N 3.07Å; Y11-I15 VanDerWaalsContact O-N 3.16Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.36Å; Y11-Y54 PolarHBondContact OH-OH 3.21Å; Y11-Y54 VanDerWaalsContact OH-OH 3.09Å
12F91.6Very high86.9Confident41 Ų4173.7 Ų73.718%0.1838%0.382CS..Hα-helixtrans-65-43.6-176.3-62.7-67.6000113L3 Y4 S14 I15 K16 Y54L3-F12 HydrophobicContact CB-CD2 3.88Å; L3-F12 HydrophobicContact CB-CE2 3.65Å; L3-F12 HydrophobicContact CD1-CE2 4.48Å; Y4-F12 HydrophobicContact CD2-CB 4.02Å; Y4-F12 AromaticContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CE1 4.39Å; Y4-F12 HydrophobicContact CD2-CG 4.03Å; Y4-F12 HydrophobicContact CG-CD1 4.35Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.45Å; F12-I15 PolarHBondContact O-N 3.44Å; F12-K16 WeakPolarHBondContact O-CG 3.46Å; F12-K16 PolarHBondContact O-N 3.2Å; F12-Y54 HydrophobicContact CD1-CD2 4.1Å; F12-Y54 HydrophobicContact CD1-CE1 4.46Å; F12-Y54 AromaticContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CG 4.39Å; F12-Y54 AromaticContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD2 4.27Å; F12-Y54 AromaticContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE2 4.18Å; F12-Y54 HydrophobicContact CE1-CG 4.14Å; F12-Y54 AromaticContact CE1-CZ 3.98Å
13P92.1Very high88.4Confident37 Ų3774 Ų7424%0.2438%0.382CS..Hα-helixtrans-61.3-37175.6-27.438.5000113D7 G9 K16 R17D7-P13 HydrophobicContact CB-CG 4.15Å; D7-P13 WeakPolarHBondContact O-CG 3.31Å; G9-P13 WeakPolarHBondContact O-CD 3.27Å; G9-P13 WeakPolarHBondContact O-CG 2.8Å; P13-K16 PolarHBondContact O-N 3.2Å; P13-R17 WeakPolarHBondContact O-CB 3.33Å; P13-R17 PolarHBondContact O-N 2.73Å
14S93.8Very high89.7Confident27 Ų2777.7 Ų77.719%0.18940%0.397CS..Hα-helixtrans-64.9-42.6178.2-63.40000112.1T10 Y11 F12 R17 D18T10-S14 WeakPolarHBondContact O-CB 3.45Å; T10-S14 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-OG 3.44Å; Y11-S14 PolarHBondContact O-N 2.85Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.45Å; S14-R17 PolarHBondContact O-N 2.9Å; S14-D18 PolarHBondContact O-N 2.84Å; S14-D18 VanDerWaalsContact O-N 3.11Å
15I94.1Very high90.7Very high4 Ų480.2 Ų80.22%0.02142%0.416CS..Hα-helixtrans-67.7-40.7177.1-65.7175.2000111.2Y11 F12 R17 D18 P19 Y22 L23 Y54 L57 I58Y11-I15 HydrophobicContact CD1-CD1 4.2Å; Y11-I15 HydrophobicContact CD2-CD1 4.17Å; Y11-I15 HydrophobicContact CE1-CD1 3.63Å; Y11-I15 HydrophobicContact CE2-CD1 3.61Å; Y11-I15 HydrophobicContact CG-CD1 4.45Å; Y11-I15 PolarHBondContact O-N 3.07Å; Y11-I15 VanDerWaalsContact O-N 3.16Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.36Å; F12-I15 PolarHBondContact O-N 3.44Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.26Å; I15-D18 CarbonylContact O-C 3.5Å; I15-P19 VanDerWaalsContact O-CA 3.24Å; I15-P19 WeakPolarHBondContact O-CA 3.48Å; I15-P19 WeakPolarHBondContact O-CB 3.46Å; I15-P19 VanDerWaalsContact O-CD 3.28Å; I15-P19 WeakPolarHBondContact O-CD 3.35Å; I15-Y22 HydrophobicContact CB-CD2 4.47Å; I15-Y22 HydrophobicContact CG1-CD2 3.87Å; I15-Y22 HydrophobicContact CG1-CE2 4.43Å; I15-Y22 HydrophobicContact CG1-CG 4.04Å; I15-L23 HydrophobicContact CG2-CD1 4.31Å; I15-Y54 HydrophobicContact CD1-CE2 4.49Å; I15-Y54 VanDerWaalsContact CD1-OH 3.23Å; I15-Y54 WeakPolarHBondContact CD1-OH 3.26Å; I15-Y54 HydrophobicContact CG2-CE2 4.23Å; I15-L57 HydrophobicContact CG2-CD2 3.98Å; I15-I58 HydrophobicContact CG2-CD1 4.32Å
16K91.6Very high91.9Very high61 Ų6178.5 Ų78.527%0.26541%0.407SS..Hα-helixtrans-61.2-40.9175.7-75.5175.6178.1-1760112.3Y4 D7 F12 P13 L57Y4-K16 HydrophobicContact CE2-CD 4.09Å; Y4-K16 HydrophobicContact CE2-CG 3.89Å; Y4-K16 WeakPolarHBondContact O-CE 3.5Å; Y4-K16 PolarHBondContact O-NZ 3.37Å; D7-K16 VanDerWaalsContact OD1-CD 3.23Å; D7-K16 WeakPolarHBondContact OD1-CD 3.31Å; D7-K16 WeakPolarHBondContact OD1-CE 3.29Å; D7-K16 IonicContact OD1-NZ 3.77Å; D7-K16 PolarHBondContact OD1-NZ 3.48Å; D7-K16 IonicContact OD2-NZ 2.68Å; D7-K16 PolarHBondContact OD2-NZ 3.11Å; D7-K16 VanDerWaalsContact OD2-NZ 3.1Å; F12-K16 WeakPolarHBondContact O-CG 3.46Å; F12-K16 PolarHBondContact O-N 3.2Å; P13-K16 PolarHBondContact O-N 3.2Å; K16-L57 HydrophobicContact CB-CD1 4.32Å; K16-L57 HydrophobicContact CG-CD1 3.66Å
17R94.4Very high92.8Very high199 Ų19977.4 Ų77.475%0.75141%0.408SS*.Hα-helixtrans-69.6-42.7-177.6-177.6-179.763.6-170.4-4112.5P13 S14 I15P13-R17 WeakPolarHBondContact O-CB 3.33Å; P13-R17 PolarHBondContact O-N 2.73Å; S14-R17 PolarHBondContact O-N 2.9Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.26Å
18D95.8Very high93.7Very high67 Ų6779 Ų7936%0.35842%0.417SS..  trans-143.876.6-177.1-175.86.2000110.8S14 I15 A20 R21 Y22S14-D18 PolarHBondContact O-N 2.84Å; S14-D18 VanDerWaalsContact O-N 3.11Å; I15-D18 CarbonylContact O-C 3.5Å; D18-A20 PolarHBondContact O-N 3.03Å; D18-R21 HydrophobicContact CB-CB 4.41Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 3Å; D18-R21 PolarHBondContact OD1-N 3.3Å; D18-R21 WeakPolarHBondContact OD2-CB 3.18Å; D18-Y22 VanDerWaalsContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å
19P95.9Very high94.6Very high28 Ų2881.3 Ų81.318%0.18243%0.431CS..G310 helixtrans-63.8-30.9-177.722.1-31.3000112.3I15 R21 Y22 L23 F61I15-P19 VanDerWaalsContact O-CA 3.24Å; I15-P19 WeakPolarHBondContact O-CA 3.48Å; I15-P19 WeakPolarHBondContact O-CB 3.46Å; I15-P19 VanDerWaalsContact O-CD 3.28Å; I15-P19 WeakPolarHBondContact O-CD 3.35Å; P19-R21 PolarHBondContact O-N 3.4Å; P19-Y22 PolarHBondContact O-N 3.36Å; P19-L23 HydrophobicContact CB-CD1 3.91Å; P19-L23 WeakPolarHBondContact O-CB 3.36Å; P19-L23 WeakPolarHBondContact O-CG 3.36Å; P19-L23 PolarHBondContact O-N 3.37Å; P19-F61 HydrophobicContact CB-CD1 4.38Å; P19-F61 HydrophobicContact CB-CD2 3.69Å; P19-F61 HydrophobicContact CB-CE2 3.86Å; P19-F61 HydrophobicContact CB-CG 3.98Å; P19-F61 HydrophobicContact CB-CZ 4.29Å; P19-F61 HydrophobicContact CG-CD2 3.58Å; P19-F61 HydrophobicContact CG-CE2 3.63Å; P19-F61 HydrophobicContact CG-CG 4.36Å; P19-F61 HydrophobicContact CG-CZ 4.44Å
20A97Very high95.2Very high66 Ų6680.7 Ų80.755%0.54541%0.414SS..G310 helixtrans-63.9-24.9-178.800000113.4D18 Y22 F61D18-A20 PolarHBondContact O-N 3.03Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.89Å; A20-F61 VanDerWaalsContact CA-CZ 3.45Å; A20-F61 HydrophobicContact CB-CE2 4.31Å; A20-F61 HydrophobicContact CB-CZ 3.74Å
21R97.4Very high95.6Very high185 Ų18577.7 Ų77.770%0.69839%0.392SS*.G310 helixtrans-69.4-26.3173.8-179173.8-178.7130.72.9113.6D18 P19D18-R21 HydrophobicContact CB-CB 4.41Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 3Å; D18-R21 PolarHBondContact OD1-N 3.3Å; D18-R21 WeakPolarHBondContact OD2-CB 3.18Å; P19-R21 PolarHBondContact O-N 3.4Å
22Y96.5Very high96Very high111 Ų11175.7 Ų75.744%0.43539%0.393SS..THydrogen-bonded Turntrans-118-21.4-171-55.2-77.2000113.6I15 D18 P19 A20I15-Y22 HydrophobicContact CB-CD2 4.47Å; I15-Y22 HydrophobicContact CG1-CD2 3.87Å; I15-Y22 HydrophobicContact CG1-CE2 4.43Å; I15-Y22 HydrophobicContact CG1-CG 4.04Å; D18-Y22 VanDerWaalsContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å; P19-Y22 PolarHBondContact O-N 3.36Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.89Å
23L97.2Very high96.3Very high30 Ų3080.8 Ų80.816%0.15741%0.411CS..  trans-120.9135.9-173-52.4176.4000109.6I15 P19 L57 I58 F61 I62I15-L23 HydrophobicContact CG2-CD1 4.31Å; P19-L23 HydrophobicContact CB-CD1 3.91Å; P19-L23 WeakPolarHBondContact O-CB 3.36Å; P19-L23 WeakPolarHBondContact O-CG 3.36Å; P19-L23 PolarHBondContact O-N 3.37Å; L23-L57 HydrophobicContact CD1-CD2 4.5Å; L23-I58 HydrophobicContact CD1-CD1 3.35Å; L23-I58 HydrophobicContact CD2-CD1 3.63Å; L23-I58 HydrophobicContact CG-CD1 4.11Å; L23-F61 HydrophobicContact CB-CD1 3.6Å; L23-F61 HydrophobicContact CB-CE1 3.71Å; L23-F61 HydrophobicContact CD1-CB 4.32Å; L23-F61 HydrophobicContact CD1-CD1 3.92Å; L23-F61 HydrophobicContact CD1-CG 4.24Å; L23-F61 HydrophobicContact CG-CD1 4.42Å; L23-F61 WeakPolarHBondContact O-CE1 3.43Å; L23-I62 HydrophobicContact CB-CG2 4.06Å
24Q97.4Very high96.6Very high170 Ų17080.1 Ų80.179%0.79441%0.405SS*.PPolyproline II helixtrans-100.8122.2173.5-177.5172.6-18.700109.3C26 I62Q24-C26 PolarHBondContact O-N 2.96Å; Q24-I62 WeakPolarHBondContact O-CG2 3.28Å
25P97.9Very high96.8Very high76 Ų7685.1 Ų85.149%0.49442%0.42SS..PPolyproline II helixtrans-56.9138.3171.9-25.435.5000111.6F61P25-F61 HydrophobicContact CG-CE1 3.85Å; P25-F61 HydrophobicContact CG-CZ 4.26Å
26C98.1Very high97Very high35 Ų3587.8 Ų87.824%0.23644%0.439CS..PPolyproline II helixtrans-68.1140.5172.2-64.80000109.7Q24 V30 I62 L63Q24-C26 PolarHBondContact O-N 2.96Å; C26-V30 HydrophobicContact CB-CB 4.13Å; C26-V30 HydrophobicContact CB-CG1 4.15Å; C26-I62 VanDerWaalsContact CB-O 3.27Å; C26-I62 WeakPolarHBondContact CB-O 3.32Å; C26-I62 PolarHBondContact N-O 2.86Å; C26-L63 HydrophobicContact CB-CD2 4Å
27S97.3Very high97.3Very high61 Ų6188 Ų8843%0.42744%0.442SS..PPolyproline II helixtrans-61.5158.7173.158.60000111.4S29 V30 K31S27-S29 PolarHBondContact O-N 3.2Å; S27-S29 PolarHBondContact OG-OG 2.9Å; S27-V30 PolarHBondContact O-N 3.22Å; S27-V30 VanDerWaalsContact O-N 3.13Å; S27-K31 PolarHBondContact O-N 2.93Å
28D96.6Very high97.5Very high114 Ų11481.3 Ų81.361%0.6142%0.418SS*.Hα-helixtrans-60.2-28.2174.5-67.5-31000112.6V30 K31 T32D28-V30 PolarHBondContact O-N 3.15Å; D28-K31 PolarHBondContact O-N 2.78Å; D28-K31 WeakPolarHBondContact OD1-CE 3.46Å; D28-K31 IonicContact OD1-NZ 2.88Å; D28-K31 PolarHBondContact OD1-NZ 3.45Å; D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.41Å; D28-T32 PolarHBondContact O-N 3.38Å; D28-T32 PolarHBondContact O-OG1 3.17Å
29S98.1Very high97.5Very high82 Ų8284.2 Ų84.257%0.57344%0.438SS*.Hα-helixtrans-62.6-40175.155.80000113S27 T32 W33S27-S29 PolarHBondContact O-N 3.2Å; S27-S29 PolarHBondContact OG-OG 2.9Å; S29-T32 PolarHBondContact O-N 2.94Å; S29-W33 WeakPolarHBondContact O-CB 3.15Å; S29-W33 PolarHBondContact O-N 3.09Å
30V97.8Very high97.6Very high52 Ų5286.2 Ų86.232%0.31546%0.457SS..Hα-helixtrans-65.3-46.1176.6172.70000110.5C26 S27 D28 T32 W33 L34C26-V30 HydrophobicContact CB-CB 4.13Å; C26-V30 HydrophobicContact CB-CG1 4.15Å; S27-V30 PolarHBondContact O-N 3.22Å; S27-V30 VanDerWaalsContact O-N 3.13Å; D28-V30 PolarHBondContact O-N 3.15Å; V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 2.84Å; V30-W33 PolarHBondContact O-N 2.92Å; V30-L34 HydrophobicContact CG1-CD1 4.33Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.37Å
31K97.4Very high97.7Very high53 Ų5386 Ų8623%0.2346%0.461CS..Hα-helixtrans-63-41.3178.5-66.3175.7-66.9-175.20111.2S27 D28 L34 R35 L63S27-K31 PolarHBondContact O-N 2.93Å; D28-K31 PolarHBondContact O-N 2.78Å; D28-K31 WeakPolarHBondContact OD1-CE 3.46Å; D28-K31 IonicContact OD1-NZ 2.88Å; D28-K31 PolarHBondContact OD1-NZ 3.45Å; K31-L34 PolarHBondContact O-N 2.86Å; K31-R35 WeakPolarHBondContact O-CG 3.48Å; K31-R35 PolarHBondContact O-N 3.45Å; K31-L63 VanDerWaalsContact CD-O 3.24Å; K31-L63 WeakPolarHBondContact CD-O 3.47Å; K31-L63 HydrophobicContact CG-CD2 4.24Å
32T98Very high97.7Very high90 Ų9082.6 Ų82.655%0.55245%0.452SS*.Hα-helixtrans-62.8-43.2176.1-59.50000111.3D28 S29 V30 R35 S36D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.41Å; D28-T32 PolarHBondContact O-N 3.38Å; D28-T32 PolarHBondContact O-OG1 3.17Å; S29-T32 PolarHBondContact O-N 2.94Å; V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 2.84Å; T32-R35 PolarHBondContact O-N 3.17Å; T32-S36 PolarHBondContact O-N 3Å
33W98.4Very high97.8Very high148 Ų14883.3 Ų83.356%0.56146%0.462SS*.Hα-helixtrans-64.5-43.7177.8174.560.4000112.7S29 V30 R35 S36 M37S29-W33 WeakPolarHBondContact O-CB 3.15Å; S29-W33 PolarHBondContact O-N 3.09Å; V30-W33 PolarHBondContact O-N 2.92Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.06Å; W33-S36 WeakPolarHBondContact CA-OG 3.22Å; W33-S36 PolarHBondContact O-N 2.79Å; W33-S36 PolarHBondContact O-OG 2.84Å; W33-M37 VanDerWaalsContact O-CG 3.29Å; W33-M37 WeakPolarHBondContact O-CG 3.37Å; W33-M37 PolarHBondContact O-N 3.47Å
34L98.3Very high97.8Very high23 Ų2382.8 Ų82.812%0.1246%0.459CS..Hα-helixtrans-59.1-43.6174.3-68.3171.4000111.3V30 K31 M37 K38 L44 L63 L70 F71V30-L34 HydrophobicContact CG1-CD1 4.33Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.37Å; K31-L34 PolarHBondContact O-N 2.86Å; L34-M37 PolarHBondContact O-N 2.73Å; L34-K38 PolarHBondContact O-N 3.27Å; L34-L44 HydrophobicContact CB-CD2 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.88Å; L34-L44 WeakPolarHBondContact O-CD2 3.43Å; L34-L63 HydrophobicContact CD1-CD2 4.07Å; L34-L70 HydrophobicContact CB-CD2 4.48Å; L34-L70 HydrophobicContact CD1-CD1 4.12Å; L34-F71 HydrophobicContact CD1-CZ 4.47Å
35R97.9Very high97.9Very high133 Ų13378.9 Ų78.950%0.50244%0.443SS..Hα-helixtrans-62.9-44.3175.3-70.8-179.6-179.2-168.50.2111.9K31 T32 W33 M37 K38 T39 D66 L70K31-R35 WeakPolarHBondContact O-CG 3.48Å; K31-R35 PolarHBondContact O-N 3.45Å; T32-R35 PolarHBondContact O-N 3.17Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.06Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.13Å; R35-K38 PolarHBondContact O-N 3.31Å; R35-K38 VanDerWaalsContact O-N 3.15Å; R35-T39 PolarHBondContact O-N 3.49Å; R35-T39 PolarHBondContact O-OG1 3.22Å; R35-D66 IonicContact NH2-OD2 2.78Å; R35-D66 PolarHBondContact NH2-OD2 3.23Å; R35-L70 HydrophobicContact CG-CD2 3.62Å
36S98.4Very high97.9Very high59 Ų5977.2 Ų77.241%0.41343%0.429SS..Hα-helixtrans-63.6-35.6179.269.10000112.3T32 W33 T39 A40T32-S36 PolarHBondContact O-N 3Å; W33-S36 WeakPolarHBondContact CA-OG 3.22Å; W33-S36 PolarHBondContact O-N 2.79Å; W33-S36 PolarHBondContact O-OG 2.84Å; S36-T39 PolarHBondContact O-N 3.43Å; S36-A40 WeakPolarHBondContact O-CB 3.27Å; S36-A40 PolarHBondContact O-N 3.32Å
37M98.4Very high97.8Very high65 Ų6577.6 Ų77.632%0.3243%0.429SS..Hα-helixtrans-62.5-43.5174.4-70.1-70.3-75.100111.3W33 L34 R35 A40 K42 L44W33-M37 VanDerWaalsContact O-CG 3.29Å; W33-M37 WeakPolarHBondContact O-CG 3.37Å; W33-M37 PolarHBondContact O-N 3.47Å; L34-M37 PolarHBondContact O-N 2.73Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.13Å; M37-A40 PolarHBondContact O-N 3.41Å; M37-K42 HydrophobicContact CB-CB 4.44Å; M37-K42 HydrophobicContact CE-CB 4.36Å; M37-K42 HydrophobicContact CE-CG 3.92Å; M37-K42 VanDerWaalsContact O-CB 3.23Å; M37-K42 WeakPolarHBondContact O-CB 3.41Å; M37-K42 WeakPolarHBondContact O-CG 3.3Å; M37-K42 PolarHBondContact O-N 3.18Å; M37-K42 HydrophobicContact SD-CG 4.39Å; M37-L44 HydrophobicContact CB-CD1 3.92Å; M37-L44 HydrophobicContact CB-CD2 4.19Å
38K96.8Very high97.7Very high59 Ų5976.1 Ų76.126%0.25742%0.417SS..Hα-helixtrans-62.4-46.8173.3-74.2-168.169.5155.20112.1L34 R35 A40 G41 L44 Q69 L70 F71 D72L34-K38 PolarHBondContact O-N 3.27Å; R35-K38 PolarHBondContact O-N 3.31Å; R35-K38 VanDerWaalsContact O-N 3.15Å; K38-A40 PolarHBondContact O-N 3.39Å; K38-G41 PolarHBondContact O-N 3.12Å; K38-L44 HydrophobicContact CG-CD1 3.64Å; K38-L44 HydrophobicContact CG-CD2 4.06Å; K38-L44 HydrophobicContact CG-CG 4.28Å; K38-Q69 WeakPolarHBondContact CD-O 3.23Å; K38-Q69 PolarHBondContact NZ-O 2.94Å; K38-L70 WeakPolarHBondContact CD-O 3.01Å; K38-F71 PolarHBondContact NZ-O 2.82Å; K38-F71 VanDerWaalsContact NZ-O 3.09Å; K38-D72 WeakPolarHBondContact CE-OD1 3.29Å; K38-D72 IonicContact NZ-OD1 2.67Å; K38-D72 PolarHBondContact NZ-OD1 2.87Å
39T97.1Very high97.6Very high128 Ų12873 Ų7379%0.78540%0.404SS*.Hα-helixtrans-60.4-32.7177.5-57.20000112.2R35 S36 G41R35-T39 PolarHBondContact O-N 3.49Å; R35-T39 PolarHBondContact O-OG1 3.22Å; S36-T39 PolarHBondContact O-N 3.43Å; T39-G41 PolarHBondContact O-N 3.42Å
40A98.3Very high97.4Very high70 Ų7071 Ų7158%0.57939%0.39SS*.THydrogen-bonded Turntrans-76.19.8173.900000114S36 M37 K38 K42S36-A40 WeakPolarHBondContact O-CB 3.27Å; S36-A40 PolarHBondContact O-N 3.32Å; M37-A40 PolarHBondContact O-N 3.41Å; K38-A40 PolarHBondContact O-N 3.39Å; A40-K42 PolarHBondContact O-N 3.43Å
41G97.9Very high97.1Very high61 Ų6171.2 Ų71.263%0.62939%0.388SS*.THydrogen-bonded Turntrans76.117.9177.500000114.4K38 T39K38-G41 PolarHBondContact O-N 3.12Å; T39-G41 PolarHBondContact O-N 3.42Å
42K98.4Very high96.9Very high114 Ų11469.2 Ų69.250%0.49638%0.38SS..PPolyproline II helixtrans-81.2143.1174.2-52.8-58.2-178.5-173.50110.1M37 A40 L44M37-K42 HydrophobicContact CB-CB 4.44Å; M37-K42 HydrophobicContact CE-CB 4.36Å; M37-K42 HydrophobicContact CE-CG 3.92Å; M37-K42 VanDerWaalsContact O-CB 3.23Å; M37-K42 WeakPolarHBondContact O-CB 3.41Å; M37-K42 WeakPolarHBondContact O-CG 3.3Å; M37-K42 PolarHBondContact O-N 3.18Å; M37-K42 HydrophobicContact SD-CG 4.39Å; A40-K42 PolarHBondContact O-N 3.43Å; K42-L44 HydrophobicContact CB-CD1 3.88Å; K42-L44 VanDerWaalsContact O-CD1 3.23Å; K42-L44 WeakPolarHBondContact O-CD1 3.41Å
43I98.1Very high96.6Very high127 Ų12768.1 Ų68.165%0.65137%0.371SS*.PPolyproline II helixtrans-88.9119.1171.4-55.4-57.7000108.7I45 D72I43-I45 HydrophobicContact CG2-CD1 4.42Å; I43-I45 HydrophobicContact CG2-CG1 4.14Å; I43-D72 WeakPolarHBondContact CA-OD2 3.14Å; I43-D72 HydrophobicContact CG2-CB 4.09Å
44L98.3Very high96.4Very high18 Ų1862.1 Ų62.19%0.09435%0.349CS..PPolyproline II helixtrans-103.9127.8-179.3-76.970.5000109.9L34 M37 K38 K42 L70 F71 D72 V73L34-L44 HydrophobicContact CB-CD2 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.88Å; L34-L44 WeakPolarHBondContact O-CD2 3.43Å; M37-L44 HydrophobicContact CB-CD1 3.92Å; M37-L44 HydrophobicContact CB-CD2 4.19Å; K38-L44 HydrophobicContact CG-CD1 3.64Å; K38-L44 HydrophobicContact CG-CD2 4.06Å; K38-L44 HydrophobicContact CG-CG 4.28Å; K42-L44 HydrophobicContact CB-CD1 3.88Å; K42-L44 VanDerWaalsContact O-CD1 3.23Å; K42-L44 WeakPolarHBondContact O-CD1 3.41Å; L44-L70 WeakPolarHBondContact CD2-O 2.94Å; L44-F71 HydrophobicContact CB-CD1 4.12Å; L44-D72 PolarHBondContact N-OD2 3.37Å; L44-D72 PolarHBondContact O-N 3.18Å; L44-V73 PolarHBondContact O-N 3.28Å
45I97.8Very high96.3Very high89 Ų8961.5 Ų61.546%0.45635%0.346SS..EExtended strand (participates in β ladder)trans-126129.4-178.1-52.1179.1000109.7I43 I47 V73 I75I43-I45 HydrophobicContact CG2-CD1 4.42Å; I43-I45 HydrophobicContact CG2-CG1 4.14Å; I45-I47 HydrophobicContact CG2-CD1 4Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I45-V73 WeakPolarHBondContact CA-O 3.13Å; I45-V73 HydrophobicContact CG1-CB 4.25Å; I45-V73 HydrophobicContact CG2-CB 4.09Å; I45-V73 HydrophobicContact CG2-CG1 4.4Å; I45-I75 HydrophobicContact CG2-CD1 4.47Å
46L97.7Very high96.2Very high40 Ų4059.4 Ų59.421%0.20934%0.34CS..EExtended strand (participates in β ladder)trans-100.6121.8169.7174.459.6000109.7F71 V73 I74 I75L46-F71 HydrophobicContact CB-CD1 3.88Å; L46-F71 HydrophobicContact CB-CD2 4.36Å; L46-F71 HydrophobicContact CB-CE1 4.05Å; L46-F71 HydrophobicContact CB-CG 4.05Å; L46-F71 HydrophobicContact CB-CZ 4.36Å; L46-F71 HydrophobicContact CD2-CE2 4.28Å; L46-V73 PolarHBondContact N-O 2.98Å; L46-I74 HydrophobicContact CB-CG1 4.22Å; L46-I74 HydrophobicContact CB-CG2 4.45Å; L46-I74 HydrophobicContact CD2-CG2 4.12Å; L46-I74 HydrophobicContact CG-CG2 4.42Å; L46-I75 PolarHBondContact O-N 3.09Å
47I96.8Very high96.1Very high44 Ų4458.1 Ų58.123%0.22633%0.329CS..EExtended strand (participates in β ladder)trans-124.3107.3179.3-50.5-179.5000110.7I45 I75 A78 K80 F83 F84I45-I47 HydrophobicContact CG2-CD1 4Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I47-I75 WeakPolarHBondContact CA-O 3.5Å; I47-I75 HydrophobicContact CD1-CD1 4.45Å; I47-I75 HydrophobicContact CG1-CB 4.37Å; I47-I75 HydrophobicContact CG1-CD1 4.31Å; I47-I75 HydrophobicContact CG2-CB 4.39Å; I47-A78 HydrophobicContact CG2-CB 3.57Å; I47-K80 PolarHBondContact O-NZ 3.25Å; I47-F83 HydrophobicContact CD1-CE1 3.9Å; I47-F83 HydrophobicContact CD1-CZ 4.49Å; I47-F83 HydrophobicContact CG2-CD1 4.18Å; I47-F83 HydrophobicContact CG2-CE1 4.16Å; I47-F83 HydrophobicContact CG2-CZ 4.48Å; I47-F84 HydrophobicContact CD1-CE1 4.13Å; I47-F84 HydrophobicContact CD1-CZ 4.03Å; I47-F84 HydrophobicContact CG2-CZ 4.34Å
48T96.3Very high96Very high29 Ų2956.4 Ų56.418%0.17832%0.321CS..  trans-122143.4-178.9-172.40000112.4S50 C55 I75 T76 N77 A78T48-S50 WeakPolarHBondContact OG1-CB 3.45Å; T48-S50 PolarHBondContact OG1-N 3.39Å; T48-S50 PolarHBondContact OG1-OG 3.25Å; T48-C55 HydrophobicContact CG2-CB 4.02Å; T48-I75 PolarHBondContact N-O 3.4Å; T48-T76 HydrophobicContact CG2-CG2 3.93Å; T48-T76 CarbonylContact O-C 3.37Å; T48-T76 WeakPolarHBondContact O-CA 3.46Å; T48-N77 PolarHBondContact O-N 3.05Å; T48-N77 VanDerWaalsContact O-N 3.15Å; T48-A78 VanDerWaalsContact O-CB 3.32Å; T48-A78 WeakPolarHBondContact O-CB 3.32Å; T48-A78 PolarHBondContact O-N 3.04Å
49S94.4Very high96Very high48 Ų4854.1 Ų54.134%0.33631%0.312SS..SBendtrans-78.7-9.1171.7-610000112.5K80S49-K80 PolarHBondContact OG-N 3.04Å; S49-K80 VanDerWaalsContact OG-N 3.13Å
50S92.9Very high96.1Very high40 Ų4051.2 Ų51.228%0.2829%0.289SS..SBendtrans-70.8156.7-179.8-63.90000112.3T48 N77T48-S50 WeakPolarHBondContact OG1-CB 3.45Å; T48-S50 PolarHBondContact OG1-N 3.39Å; T48-S50 PolarHBondContact OG1-OG 3.25Å; S50-N77 PolarHBondContact O-N 3.46Å; S50-N77 PolarHBondContact O-OD1 2.98Å
51H92.3Very high96.1Very high58 Ų5851 Ų5127%0.26928%0.275SS..  trans-61.3152.1169.5-157.6-99.5000111.4C2 D53 Y54 C55 N77C2-H51 VanDerWaalsContact SG-CB 3.56Å; H51-D53 VanDerWaalsContact C-N 3.32Å; H51-D53 IonicContact CE1-OD2 3.23Å; H51-D53 PolarHBondContact CE1-OD2 3.37Å; H51-D53 VanDerWaalsContact CE1-OD2 3.23Å; H51-D53 IonicContact ND1-OD2 3Å; H51-D53 PolarHBondContact ND1-OD2 3.44Å; H51-D53 PolarHBondContact O-N 2.89Å; H51-Y54 PolarHBondContact O-N 2.79Å; H51-C55 PolarHBondContact O-N 3.31Å; H51-N77 WeakPolarHBondContact CA-OD1 3.23Å; H51-N77 PolarHBondContact CD2-ND2 2.83Å
52S92.9Very high96.1Very high11 Ų1149.8 Ų49.88%0.07725%0.254CS..Hα-helixtrans-56-43.8-179.351.60000113.2Y54 C55 K56S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.35Å; S52-C55 WeakPolarHBondContact O-CB 3.33Å; S52-C55 PolarHBondContact O-N 3.28Å; S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 PolarHBondContact O-N 3.45Å
53D92.1Very high96.1Very high67 Ų6745.1 Ų45.136%0.35824%0.235SC..Hα-helixtrans-68.8-34.5-177-48.6-49.5000112.2Y4 T5 H51 L57Y4-D53 HydrophobicContact CD1-CB 3.72Å; Y4-D53 VanDerWaalsContact CE1-C 3.48Å; Y4-D53 HydrophobicContact CE1-CB 3.33Å; Y4-D53 PolarHBondContact OH-O 2.87Å; T5-D53 VanDerWaalsContact CG2-OD2 3.27Å; T5-D53 WeakPolarHBondContact CG2-OD2 3.04Å; H51-D53 VanDerWaalsContact C-N 3.32Å; H51-D53 IonicContact CE1-OD2 3.23Å; H51-D53 PolarHBondContact CE1-OD2 3.37Å; H51-D53 VanDerWaalsContact CE1-OD2 3.23Å; H51-D53 IonicContact ND1-OD2 3Å; H51-D53 PolarHBondContact ND1-OD2 3.44Å; H51-D53 PolarHBondContact O-N 2.89Å; D53-L57 PolarHBondContact O-N 3.32Å
54Y93.8Very high96Very high22 Ų2240.1 Ų40.19%0.08622%0.215CC..Hα-helixtrans-71.9-43.3174.7-172.7-132000111Y4 Y11 F12 I15 H51 S52 K56 L57 I58Y4-Y54 AromaticContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CD2 3.44Å; Y4-Y54 VanDerWaalsContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CE2 4.31Å; Y4-Y54 AromaticContact CD2-CG 3.86Å; Y4-Y54 HydrophobicContact CD2-CG 3.86Å; Y4-Y54 AromaticContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CE2 4.27Å; Y4-Y54 HydrophobicContact CE2-CG 4.12Å; Y4-Y54 HydrophobicContact CG-CD2 4.38Å; Y4-Y54 HydrophobicContact CG-CG 4.39Å; Y11-Y54 PolarHBondContact OH-OH 3.21Å; Y11-Y54 VanDerWaalsContact OH-OH 3.09Å; F12-Y54 HydrophobicContact CD1-CD2 4.1Å; F12-Y54 HydrophobicContact CD1-CE1 4.46Å; F12-Y54 AromaticContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CG 4.39Å; F12-Y54 AromaticContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD2 4.27Å; F12-Y54 AromaticContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE2 4.18Å; F12-Y54 HydrophobicContact CE1-CG 4.14Å; F12-Y54 AromaticContact CE1-CZ 3.98Å; I15-Y54 HydrophobicContact CD1-CE2 4.49Å; I15-Y54 VanDerWaalsContact CD1-OH 3.23Å; I15-Y54 WeakPolarHBondContact CD1-OH 3.26Å; I15-Y54 HydrophobicContact CG2-CE2 4.23Å; H51-Y54 PolarHBondContact O-N 2.79Å; S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.35Å; Y54-K56 VanDerWaalsContact C-N 3.25Å; Y54-K56 PolarHBondContact O-N 3.37Å; Y54-L57 PolarHBondContact O-N 3.16Å; Y54-I58 HydrophobicContact CD2-CD1 4.37Å; Y54-I58 HydrophobicContact CD2-CG1 4.08Å; Y54-I58 HydrophobicContact CE1-CG1 4.23Å; Y54-I58 HydrophobicContact CE2-CD1 3.66Å; Y54-I58 HydrophobicContact CE2-CG1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.45Å; Y54-I58 VanDerWaalsContact O-CG1 3.32Å; Y54-I58 WeakPolarHBondContact O-CG1 3.24Å; Y54-I58 PolarHBondContact O-N 3.3Å
55C96.1Very high95.9Very high9 Ų947.9 Ų47.96%0.06125%0.247CC..Hα-helixtrans-54.8-45.5173.1-175.80000111T48 H51 S52 I58 C59 T76T48-C55 HydrophobicContact CG2-CB 4.02Å; H51-C55 PolarHBondContact O-N 3.31Å; S52-C55 WeakPolarHBondContact O-CB 3.33Å; S52-C55 PolarHBondContact O-N 3.28Å; C55-I58 PolarHBondContact O-N 2.81Å; C55-C59 VanDerWaalsContact O-CB 3.29Å; C55-C59 WeakPolarHBondContact O-CB 3.43Å; C55-C59 PolarHBondContact O-N 3.49Å; C55-C59 PolarHBondContact O-SG 2.96Å; C55-T76 HydrophobicContact CB-CG2 3.85Å
56K95.4Very high95.8Very high89 Ų8946.3 Ų46.339%0.38724%0.24SC..Hα-helixtrans-60.7-50.8177.8-175.9176.5176.8-175.80111.4S52 Y54 I58 C59 E60 F67S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 PolarHBondContact O-N 3.45Å; Y54-K56 VanDerWaalsContact C-N 3.25Å; Y54-K56 PolarHBondContact O-N 3.37Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.01Å; K56-C59 PolarHBondContact O-N 3.42Å; K56-E60 WeakPolarHBondContact CE-OE1 3.23Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.86Å; K56-E60 VanDerWaalsContact O-CB 3.31Å; K56-E60 WeakPolarHBondContact O-CB 3.33Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.11Å; K56-F67 HydrophobicContact CG-CE1 4.32Å
57L95.6Very high95.8Very high32 Ų3244.7 Ų44.717%0.16823%0.231CC..Hα-helixtrans-56.4-48.4178.4177148.8000112Y4 I15 K16 L23 D53 Y54 F61Y4-L57 HydrophobicContact CE2-CD1 4.25Å; Y4-L57 VanDerWaalsContact OH-CB 3.3Å; Y4-L57 WeakPolarHBondContact OH-CB 3.33Å; Y4-L57 WeakPolarHBondContact OH-CD1 3.23Å; I15-L57 HydrophobicContact CG2-CD2 3.98Å; K16-L57 HydrophobicContact CB-CD1 4.32Å; K16-L57 HydrophobicContact CG-CD1 3.66Å; L23-L57 HydrophobicContact CD1-CD2 4.5Å; D53-L57 PolarHBondContact O-N 3.32Å; Y54-L57 PolarHBondContact O-N 3.16Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 2.96Å
58I96.9Very high95.8Very high30 Ų3046.7 Ų46.715%0.15424%0.239CC..Hα-helixtrans-61.4-55.4179.8-63.1-60.6000109.4I15 L23 Y54 C55 K56 E60 F61 I62I15-I58 HydrophobicContact CG2-CD1 4.32Å; L23-I58 HydrophobicContact CD1-CD1 3.35Å; L23-I58 HydrophobicContact CD2-CD1 3.63Å; L23-I58 HydrophobicContact CG-CD1 4.11Å; Y54-I58 HydrophobicContact CD2-CD1 4.37Å; Y54-I58 HydrophobicContact CD2-CG1 4.08Å; Y54-I58 HydrophobicContact CE1-CG1 4.23Å; Y54-I58 HydrophobicContact CE2-CD1 3.66Å; Y54-I58 HydrophobicContact CE2-CG1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.45Å; Y54-I58 VanDerWaalsContact O-CG1 3.32Å; Y54-I58 WeakPolarHBondContact O-CG1 3.24Å; Y54-I58 PolarHBondContact O-N 3.3Å; C55-I58 PolarHBondContact O-N 2.81Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.01Å; I58-E60 PolarHBondContact O-N 3.41Å; I58-F61 WeakPolarHBondContact O-CB 3.38Å; I58-F61 PolarHBondContact O-N 3.1Å; I58-F61 VanDerWaalsContact O-N 3.12Å; I58-I62 HydrophobicContact CG2-CD1 4.26Å; I58-I62 HydrophobicContact CG2-CG1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 3.46Å
59C97.9Very high95.9Very high10 Ų1051.7 Ų51.77%0.06826%0.261CS..Hα-helixtrans-65.3-38.5-174.1-67.90000113C55 K56 F61 I62 L63 G64 F67C55-C59 VanDerWaalsContact O-CB 3.29Å; C55-C59 WeakPolarHBondContact O-CB 3.43Å; C55-C59 PolarHBondContact O-N 3.49Å; C55-C59 PolarHBondContact O-SG 2.96Å; K56-C59 PolarHBondContact O-N 3.42Å; C59-F61 VanDerWaalsContact C-N 3.26Å; C59-F61 PolarHBondContact O-N 3.36Å; C59-I62 PolarHBondContact O-N 2.68Å; C59-L63 WeakPolarHBondContact O-CA 3.27Å; C59-L63 WeakPolarHBondContact O-CB 3.33Å; C59-L63 PolarHBondContact O-N 2.7Å; C59-G64 PolarHBondContact O-N 3.48Å; C59-F67 HydrophobicContact CB-CB 4.16Å; C59-F67 HydrophobicContact CB-CD1 3.78Å; C59-F67 HydrophobicContact CB-CD2 3.31Å; C59-F67 HydrophobicContact CB-CE1 3.97Å; C59-F67 HydrophobicContact CB-CE2 3.49Å; C59-F67 VanDerWaalsContact CB-CE2 3.49Å; C59-F67 HydrophobicContact CB-CG 3.45Å; C59-F67 VanDerWaalsContact CB-CG 3.45Å; C59-F67 HydrophobicContact CB-CZ 3.83Å
60E97.6Very high96Very high68 Ų6849.6 Ų49.632%0.31825%0.246SC..Hα-helixtrans-60.7-38.8174.1-73.5-173.3163.700111.5K56 I58 G64 F67K56-E60 WeakPolarHBondContact CE-OE1 3.23Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.86Å; K56-E60 VanDerWaalsContact O-CB 3.31Å; K56-E60 WeakPolarHBondContact O-CB 3.33Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.11Å; I58-E60 PolarHBondContact O-N 3.41Å; E60-G64 WeakPolarHBondContact CA-O 3.48Å; E60-G64 CarbonylContact O-C 3.36Å; E60-G64 VanDerWaalsContact O-CA 3.23Å; E60-G64 WeakPolarHBondContact O-CA 3.46Å; E60-G64 PolarHBondContact O-N 3.34Å; E60-F67 HydrophobicContact CG-CD1 4.01Å; E60-F67 HydrophobicContact CG-CE1 3.96Å
61F98.2Very high96.3Very high64 Ų6449 Ų4928%0.28124%0.238SC..Hα-helixtrans-71.3-47.1177.4-172-90.8000112.4P19 A20 L23 P25 L57 I58 C59P19-F61 HydrophobicContact CB-CD1 4.38Å; P19-F61 HydrophobicContact CB-CD2 3.69Å; P19-F61 HydrophobicContact CB-CE2 3.86Å; P19-F61 HydrophobicContact CB-CG 3.98Å; P19-F61 HydrophobicContact CB-CZ 4.29Å; P19-F61 HydrophobicContact CG-CD2 3.58Å; P19-F61 HydrophobicContact CG-CE2 3.63Å; P19-F61 HydrophobicContact CG-CG 4.36Å; P19-F61 HydrophobicContact CG-CZ 4.44Å; A20-F61 VanDerWaalsContact CA-CZ 3.45Å; A20-F61 HydrophobicContact CB-CE2 4.31Å; A20-F61 HydrophobicContact CB-CZ 3.74Å; L23-F61 HydrophobicContact CB-CD1 3.6Å; L23-F61 HydrophobicContact CB-CE1 3.71Å; L23-F61 HydrophobicContact CD1-CB 4.32Å; L23-F61 HydrophobicContact CD1-CD1 3.92Å; L23-F61 HydrophobicContact CD1-CG 4.24Å; L23-F61 HydrophobicContact CG-CD1 4.42Å; L23-F61 WeakPolarHBondContact O-CE1 3.43Å; P25-F61 HydrophobicContact CG-CE1 3.85Å; P25-F61 HydrophobicContact CG-CZ 4.26Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 2.96Å; I58-F61 WeakPolarHBondContact O-CB 3.38Å; I58-F61 PolarHBondContact O-N 3.1Å; I58-F61 VanDerWaalsContact O-N 3.12Å; C59-F61 VanDerWaalsContact C-N 3.26Å; C59-F61 PolarHBondContact O-N 3.36Å
62I98.2Very high96.6Very high37 Ų3749.7 Ų49.719%0.1924%0.244CC..Hα-helixtrans-86.6-31.1-171.662.9151.5000114.3L23 Q24 C26 I58 C59L23-I62 HydrophobicContact CB-CG2 4.06Å; Q24-I62 WeakPolarHBondContact O-CG2 3.28Å; C26-I62 VanDerWaalsContact CB-O 3.27Å; C26-I62 WeakPolarHBondContact CB-O 3.32Å; C26-I62 PolarHBondContact N-O 2.86Å; I58-I62 HydrophobicContact CG2-CD1 4.26Å; I58-I62 HydrophobicContact CG2-CG1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 3.46Å; C59-I62 PolarHBondContact O-N 2.68Å
63L98.1Very high96.8Very high16 Ų1652.3 Ų52.38%0.08426%0.26CS..Hα-helixtrans-114.8-17-174.3-68.4168.4000112.9C26 K31 L34 C59 F67 L70 F71C26-L63 HydrophobicContact CB-CD2 4Å; K31-L63 VanDerWaalsContact CD-O 3.24Å; K31-L63 WeakPolarHBondContact CD-O 3.47Å; K31-L63 HydrophobicContact CG-CD2 4.24Å; L34-L63 HydrophobicContact CD1-CD2 4.07Å; C59-L63 WeakPolarHBondContact O-CA 3.27Å; C59-L63 WeakPolarHBondContact O-CB 3.33Å; C59-L63 PolarHBondContact O-N 2.7Å; L63-F67 HydrophobicContact CB-CB 3.79Å; L63-F67 HydrophobicContact CD1-CB 4.41Å; L63-L70 HydrophobicContact CB-CD1 4.04Å; L63-L70 HydrophobicContact CD1-CD1 4.4Å; L63-L70 HydrophobicContact CD2-CD1 4.24Å; L63-L70 HydrophobicContact CG-CD1 4.46Å; L63-F71 HydrophobicContact CD1-CE2 4.05Å; L63-F71 HydrophobicContact CD1-CZ 4.22Å
64G97.4Very high97Very high22 Ų2252 Ų5223%0.22726%0.257CS..  trans107.3163-178.100000113.1C59 E60 D66 F67C59-G64 PolarHBondContact O-N 3.48Å; E60-G64 WeakPolarHBondContact CA-O 3.48Å; E60-G64 CarbonylContact O-C 3.36Å; E60-G64 VanDerWaalsContact O-CA 3.23Å; E60-G64 WeakPolarHBondContact O-CA 3.46Å; E60-G64 PolarHBondContact O-N 3.34Å; G64-D66 PolarHBondContact O-N 3.05Å; G64-D66 VanDerWaalsContact O-N 3.14Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 3Å
65K96.4Very high97.1Very high181 Ų18152.5 Ų52.579%0.78726%0.261SS*.THydrogen-bonded Turntrans-61.7-23.5-176.3-66.3-173178.7-178.90113.7
66D95.6Very high97.1Very high56 Ų5653.7 Ų53.730%0.29927%0.268SS..THydrogen-bonded Turntrans-92.213.8178.164.6-40.8000113.2R35 G64 E68 Q69R35-D66 IonicContact NH2-OD2 2.78Å; R35-D66 PolarHBondContact NH2-OD2 3.23Å; G64-D66 PolarHBondContact O-N 3.05Å; G64-D66 VanDerWaalsContact O-N 3.14Å; D66-E68 PolarHBondContact O-N 2.97Å; D66-Q69 HydrophobicContact CB-CG 4.42Å; D66-Q69 VanDerWaalsContact O-CB 3.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.19Å; D66-Q69 WeakPolarHBondContact O-CG 3.45Å; D66-Q69 PolarHBondContact O-N 2.99Å
67F97.7Very high97Very high5 Ų553 Ų532%0.02227%0.268CS..G310 helixtrans-53.6-30.2-175.781.8-83000113.9K56 C59 E60 L63 G64 Q69 L70 F71 I74K56-F67 HydrophobicContact CG-CE1 4.32Å; C59-F67 HydrophobicContact CB-CB 4.16Å; C59-F67 HydrophobicContact CB-CD1 3.78Å; C59-F67 HydrophobicContact CB-CD2 3.31Å; C59-F67 HydrophobicContact CB-CE1 3.97Å; C59-F67 HydrophobicContact CB-CE2 3.49Å; C59-F67 VanDerWaalsContact CB-CE2 3.49Å; C59-F67 HydrophobicContact CB-CG 3.45Å; C59-F67 VanDerWaalsContact CB-CG 3.45Å; C59-F67 HydrophobicContact CB-CZ 3.83Å; E60-F67 HydrophobicContact CG-CD1 4.01Å; E60-F67 HydrophobicContact CG-CE1 3.96Å; L63-F67 HydrophobicContact CB-CB 3.79Å; L63-F67 HydrophobicContact CD1-CB 4.41Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 3Å; F67-Q69 PolarHBondContact O-N 2.93Å; F67-Q69 VanDerWaalsContact O-N 3.17Å; F67-L70 HydrophobicContact CB-CD1 4.45Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.49Å; F67-L70 PolarHBondContact O-N 3.5Å; F67-F71 HydrophobicContact CD2-CE2 4.49Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; F67-I74 HydrophobicContact CD2-CD1 4.31Å; F67-I74 HydrophobicContact CE2-CD1 3.77Å
68E96.9Very high96.8Very high86 Ų8651.7 Ų51.740%0.40226%0.262SS..G310 helixtrans-57.4-29.8177.8-65.6-176.2160.600111.4D66 L70 F71 I74 K98D66-E68 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.08Å; E68-F71 PolarHBondContact O-N 2.79Å; E68-F71 VanDerWaalsContact O-O 3.1Å; E68-I74 HydrophobicContact CB-CD1 4.24Å; E68-I74 HydrophobicContact CG-CD1 4.06Å; E68-K98 VanDerWaalsContact CD-NZ 3.25Å; E68-K98 IonicContact OE1-NZ 3Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 IonicContact OE2-NZ 3.1Å; E68-K98 PolarHBondContact OE2-NZ 3.33Å
69Q97.1Very high96.4Very high135 Ų13555 Ų5563%0.63128%0.28SS*.G310 helixtrans-70.7-21.2177.5-56.8-178.314.500112.9K38 D66 F67 F71K38-Q69 WeakPolarHBondContact CD-O 3.23Å; K38-Q69 PolarHBondContact NZ-O 2.94Å; D66-Q69 HydrophobicContact CB-CG 4.42Å; D66-Q69 VanDerWaalsContact O-CB 3.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.19Å; D66-Q69 WeakPolarHBondContact O-CG 3.45Å; D66-Q69 PolarHBondContact O-N 2.99Å; F67-Q69 PolarHBondContact O-N 2.93Å; F67-Q69 VanDerWaalsContact O-N 3.17Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-F71 PolarHBondContact O-N 2.64Å
70L97.9Very high96.1Very high3 Ų359.3 Ų59.32%0.01630%0.298CS..G310 helixtrans-77-12.4-179.3-56.7175.5000113.2L34 R35 K38 L44 L63 F67 E68L34-L70 HydrophobicContact CB-CD2 4.48Å; L34-L70 HydrophobicContact CD1-CD1 4.12Å; R35-L70 HydrophobicContact CG-CD2 3.62Å; K38-L70 WeakPolarHBondContact CD-O 3.01Å; L44-L70 WeakPolarHBondContact CD2-O 2.94Å; L63-L70 HydrophobicContact CB-CD1 4.04Å; L63-L70 HydrophobicContact CD1-CD1 4.4Å; L63-L70 HydrophobicContact CD2-CD1 4.24Å; L63-L70 HydrophobicContact CG-CD1 4.46Å; F67-L70 HydrophobicContact CB-CD1 4.45Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.49Å; F67-L70 PolarHBondContact O-N 3.5Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.08Å
71F98.1Very high95.8Very high27 Ų2761 Ų6112%0.11832%0.315CS..  trans-126.3154.6-178.6-56.4-81.2000109.9L34 K38 L44 L46 L63 F67 E68 Q69 I74L34-F71 HydrophobicContact CD1-CZ 4.47Å; K38-F71 PolarHBondContact NZ-O 2.82Å; K38-F71 VanDerWaalsContact NZ-O 3.09Å; L44-F71 HydrophobicContact CB-CD1 4.12Å; L46-F71 HydrophobicContact CB-CD1 3.88Å; L46-F71 HydrophobicContact CB-CD2 4.36Å; L46-F71 HydrophobicContact CB-CE1 4.05Å; L46-F71 HydrophobicContact CB-CG 4.05Å; L46-F71 HydrophobicContact CB-CZ 4.36Å; L46-F71 HydrophobicContact CD2-CE2 4.28Å; L63-F71 HydrophobicContact CD1-CE2 4.05Å; L63-F71 HydrophobicContact CD1-CZ 4.22Å; F67-F71 HydrophobicContact CD2-CE2 4.49Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; E68-F71 PolarHBondContact O-N 2.79Å; E68-F71 VanDerWaalsContact O-O 3.1Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-F71 PolarHBondContact O-N 2.64Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG1 3.88Å; F71-I74 HydrophobicContact CD2-CD1 4.37Å; F71-I74 HydrophobicContact CD2-CG1 4.38Å; F71-I74 HydrophobicContact CG-CG1 4.35Å
72D98Very high95.2Very high74 Ų7458.4 Ų58.440%0.39631%0.305SS..SBendtrans-92.6-31.3173.3-57-62.6000110.7K38 I43 L44K38-D72 WeakPolarHBondContact CE-OD1 3.29Å; K38-D72 IonicContact NZ-OD1 2.67Å; K38-D72 PolarHBondContact NZ-OD1 2.87Å; I43-D72 WeakPolarHBondContact CA-OD2 3.14Å; I43-D72 HydrophobicContact CG2-CB 4.09Å; L44-D72 PolarHBondContact N-OD2 3.37Å; L44-D72 PolarHBondContact O-N 3.18Å
73V97.1Very high94.8Very high66 Ų6659 Ų5940%0.431%0.306SS..EExtended strand (participates in β ladder)trans-137.7132.7176.3-174.80000109.9L44 I45 L46 I75L44-V73 PolarHBondContact O-N 3.28Å; I45-V73 WeakPolarHBondContact CA-O 3.13Å; I45-V73 HydrophobicContact CG1-CB 4.25Å; I45-V73 HydrophobicContact CG2-CB 4.09Å; I45-V73 HydrophobicContact CG2-CG1 4.4Å; L46-V73 PolarHBondContact N-O 2.98Å; V73-I75 HydrophobicContact CG1-CD1 4.17Å; V73-I75 HydrophobicContact CG1-CG1 3.78Å
74I97.6Very high94.4Very high60 Ų6064.8 Ų64.831%0.30833%0.331SS..EExtended strand (participates in β ladder)trans-119.8119.5172.9-61.5166.3000108.1L46 F67 E68 F71 T76L46-I74 HydrophobicContact CB-CG1 4.22Å; L46-I74 HydrophobicContact CB-CG2 4.45Å; L46-I74 HydrophobicContact CD2-CG2 4.12Å; L46-I74 HydrophobicContact CG-CG2 4.42Å; F67-I74 HydrophobicContact CD2-CD1 4.31Å; F67-I74 HydrophobicContact CE2-CD1 3.77Å; E68-I74 HydrophobicContact CB-CD1 4.24Å; E68-I74 HydrophobicContact CG-CD1 4.06Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG1 3.88Å; F71-I74 HydrophobicContact CD2-CD1 4.37Å; F71-I74 HydrophobicContact CD2-CG1 4.38Å; F71-I74 HydrophobicContact CG-CG1 4.35Å; I74-T76 HydrophobicContact CG2-CG2 4.25Å
75I95.9Very high93.9Very high32 Ų3267.8 Ų67.816%0.16435%0.349CS..EExtended strand (participates in β ladder)trans-115111.9-179.8-53-178.3000108.3I45 L46 I47 T48 V73 A78 F83 F93I45-I75 HydrophobicContact CG2-CD1 4.47Å; L46-I75 PolarHBondContact O-N 3.09Å; I47-I75 WeakPolarHBondContact CA-O 3.5Å; I47-I75 HydrophobicContact CD1-CD1 4.45Å; I47-I75 HydrophobicContact CG1-CB 4.37Å; I47-I75 HydrophobicContact CG1-CD1 4.31Å; I47-I75 HydrophobicContact CG2-CB 4.39Å; T48-I75 PolarHBondContact N-O 3.4Å; V73-I75 HydrophobicContact CG1-CD1 4.17Å; V73-I75 HydrophobicContact CG1-CG1 3.78Å; I75-A78 HydrophobicContact CG2-CB 4.48Å; I75-F83 HydrophobicContact CD1-CE2 4.35Å; I75-F83 HydrophobicContact CD1-CZ 3.71Å; I75-F83 HydrophobicContact CG2-CE2 3.79Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; I75-F93 HydrophobicContact CD1-CE1 4.22Å
76T95.5Very high93.2Very high35 Ų3562.5 Ų62.522%0.21533%0.329CS..  trans-100.5168.3174.1610000109.9T48 C55 I74 A78T48-T76 HydrophobicContact CG2-CG2 3.93Å; T48-T76 CarbonylContact O-C 3.37Å; T48-T76 WeakPolarHBondContact O-CA 3.46Å; C55-T76 HydrophobicContact CB-CG2 3.85Å; I74-T76 HydrophobicContact CG2-CG2 4.25Å; T76-A78 PolarHBondContact O-N 3.08Å; T76-A78 VanDerWaalsContact O-N 3.08Å
77N92.6Very high92.1Very high73 Ų7364.7 Ų64.739%0.3934%0.339SS..  trans51.833.8-178.6-58.655.7000112.9T48 S50 H51 L79T48-N77 PolarHBondContact O-N 3.05Å; T48-N77 VanDerWaalsContact O-N 3.15Å; S50-N77 PolarHBondContact O-N 3.46Å; S50-N77 PolarHBondContact O-OD1 2.98Å; H51-N77 WeakPolarHBondContact CA-OD1 3.23Å; H51-N77 PolarHBondContact CD2-ND2 2.83Å; N77-L79 WeakPolarHBondContact O-CG 3.48Å; N77-L79 PolarHBondContact O-N 3.03Å; N77-L79 VanDerWaalsContact O-N 3.16Å
78A92.1Very high90.8Very high5 Ų568.9 Ų68.94%0.04137%0.368CS..  trans-61.4-27.8-177.200000112.4I47 T48 I75 T76 K80 F83I47-A78 HydrophobicContact CG2-CB 3.57Å; T48-A78 VanDerWaalsContact O-CB 3.32Å; T48-A78 WeakPolarHBondContact O-CB 3.32Å; T48-A78 PolarHBondContact O-N 3.04Å; I75-A78 HydrophobicContact CG2-CB 4.48Å; T76-A78 PolarHBondContact O-N 3.08Å; T76-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 HydrophobicContact CB-CG 4.15Å; A78-K80 PolarHBondContact O-N 3.33Å; A78-F83 HydrophobicContact CB-CB 4.2Å; A78-F83 HydrophobicContact CB-CD2 3.85Å; A78-F83 HydrophobicContact CB-CE2 4.5Å; A78-F83 HydrophobicContact CB-CG 4.02Å; A78-F83 VanDerWaalsContact O-CB 3.3Å; A78-F83 WeakPolarHBondContact O-CB 3.3Å
79L89.2Confident89.5Confident100 Ų10072.8 Ų72.852%0.52439%0.385SS..  trans52.851.7179.6-62.5174.2000111.7N77 G82 R91N77-L79 WeakPolarHBondContact O-CG 3.48Å; N77-L79 PolarHBondContact O-N 3.03Å; N77-L79 VanDerWaalsContact O-N 3.16Å; L79-G82 PolarHBondContact O-N 3.41Å; L79-R91 VanDerWaalsContact CB-NH1 3.26Å; L79-R91 PolarHBondContact O-NH1 2.87Å
80K91.2Very high88.4Confident101 Ų10172.1 Ų72.144%0.43938%0.382SS..THydrogen-bonded Turntrans-59.4148.9175.6-64.5178.4-68.4-167.50111.2I47 S49 A78 G82 F83 F84I47-K80 PolarHBondContact O-NZ 3.25Å; S49-K80 PolarHBondContact OG-N 3.04Å; S49-K80 VanDerWaalsContact OG-N 3.13Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 HydrophobicContact CB-CG 4.15Å; A78-K80 PolarHBondContact O-N 3.33Å; K80-G82 VanDerWaalsContact C-N 3.33Å; K80-F83 HydrophobicContact CG-CB 4.19Å; K80-F84 HydrophobicContact CD-CE2 3.71Å; K80-F84 HydrophobicContact CG-CD2 4.34Å; K80-F84 HydrophobicContact CG-CE2 3.87Å
81P91Very high87.2Confident104 Ų10476.6 Ų76.668%0.67540%0.399SS*.THydrogen-bonded Turncis-78.5-12.33.332.7-36000113.9F83 F84P81-F83 PolarHBondContact O-N 2.88Å; P81-F84 PolarHBondContact O-N 2.97Å
82G86.4Confident86.5Confident8 Ų879.6 Ų79.68%0.08242%0.421CS..Hα-helixtrans-55.1-25.2-17300000115.5L79 K80 F84 S85 L86L79-G82 PolarHBondContact O-N 3.41Å; K80-G82 VanDerWaalsContact C-N 3.33Å; G82-F84 PolarHBondContact O-N 3.16Å; G82-S85 WeakPolarHBondContact CA-OG 3.38Å; G82-S85 PolarHBondContact O-N 3.15Å; G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CG 3.4Å; G82-L86 PolarHBondContact O-N 2.94Å
83F88.7Confident85.9Confident49 Ų4983.6 Ų83.622%0.21544%0.435CS..Hα-helixtrans-51.3-40.8170.4-171.3-100.9000113.8I47 I75 A78 K80 P81 F93I47-F83 HydrophobicContact CD1-CE1 3.9Å; I47-F83 HydrophobicContact CD1-CZ 4.49Å; I47-F83 HydrophobicContact CG2-CD1 4.18Å; I47-F83 HydrophobicContact CG2-CE1 4.16Å; I47-F83 HydrophobicContact CG2-CZ 4.48Å; I75-F83 HydrophobicContact CD1-CE2 4.35Å; I75-F83 HydrophobicContact CD1-CZ 3.71Å; I75-F83 HydrophobicContact CG2-CE2 3.79Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; A78-F83 HydrophobicContact CB-CB 4.2Å; A78-F83 HydrophobicContact CB-CD2 3.85Å; A78-F83 HydrophobicContact CB-CE2 4.5Å; A78-F83 HydrophobicContact CB-CG 4.02Å; A78-F83 VanDerWaalsContact O-CB 3.3Å; A78-F83 WeakPolarHBondContact O-CB 3.3Å; K80-F83 HydrophobicContact CG-CB 4.19Å; P81-F83 PolarHBondContact O-N 2.88Å; F83-F93 AromaticContact CE2-CE1 3.56Å; F83-F93 HydrophobicContact CE2-CE1 3.56Å; F83-F93 AromaticContact CE2-CZ 3.92Å; F83-F93 HydrophobicContact CE2-CZ 3.92Å; F83-F93 AromaticContact CZ-CE1 3.79Å; F83-F93 HydrophobicContact CZ-CE1 3.79Å; F83-F93 AromaticContact CZ-CZ 3.91Å; F83-F93 HydrophobicContact CZ-CZ 3.91Å
84F89.8Confident85.5Confident138 Ų13891 Ų9161%0.60546%0.456SS*.Hα-helixtrans-98.6-17.1-173.4-59.6-73.2000113.1I47 K80 P81 G82I47-F84 HydrophobicContact CD1-CE1 4.13Å; I47-F84 HydrophobicContact CD1-CZ 4.03Å; I47-F84 HydrophobicContact CG2-CZ 4.34Å; K80-F84 HydrophobicContact CD-CE2 3.71Å; K80-F84 HydrophobicContact CG-CD2 4.34Å; K80-F84 HydrophobicContact CG-CE2 3.87Å; P81-F84 PolarHBondContact O-N 2.97Å; G82-F84 PolarHBondContact O-N 3.16Å
85S87.3Confident85.2Confident86 Ų8694.6 Ų94.660%0.60148%0.481SS*.Hα-helixtrans-112.5-17.8-169.968.50000114.3G82G82-S85 WeakPolarHBondContact CA-OG 3.38Å; G82-S85 PolarHBondContact O-N 3.15Å
86L80.8Confident84.7Confident70 Ų7098.1 Ų98.137%0.36650%0.499SS..SBendtrans-94.4150.5-178.9-61.5173.8000111.2G82G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CG 3.4Å; G82-L86 PolarHBondContact O-N 2.94Å
87I74.2Confident84.3Confident101 Ų101103.6 Ų103.652%0.51853%0.526SS..  trans-70.4137.3-177.6-42.4170.4000108.5H89 Q90I87-H89 PolarHBondContact O-N 3.16Å; I87-Q90 WeakPolarHBondContact O-CB 3.49Å; I87-Q90 PolarHBondContact O-N 3.13Å
88P69.5Low83.4Confident94 Ų94105.9 Ų105.961%0.6153%0.532SS*.G310 helixtrans-51.7-34-171.6-31.435.7000115.6Q90 R91P88-Q90 PolarHBondContact O-N 3.4Å; P88-Q90 VanDerWaalsContact O-N 3.16Å; P88-R91 CarbonylContact O-C 3.27Å; P88-R91 VanDerWaalsContact O-C 3.27Å; P88-R91 PolarHBondContact O-N 3.25Å
89H70.4Confident82.1Confident168 Ų168110 Ų11078%0.77857%0.566SS**G310 helixtrans-62.5-23.1179.9-36.8-58.9000113.1I87I87-H89 PolarHBondContact O-N 3.16Å
90Q72.4Confident80.1Confident120 Ų120112.4 Ų112.456%0.56158%0.58SS**G310 helixtrans-83.5-14.8179.3-60.1179.5-48.500112.3I87 P88I87-Q90 WeakPolarHBondContact O-CB 3.49Å; I87-Q90 PolarHBondContact O-N 3.13Å; P88-Q90 PolarHBondContact O-N 3.4Å; P88-Q90 VanDerWaalsContact O-N 3.16Å
91R73.1Confident77.9Confident98 Ų98112.8 Ų112.837%0.3760%0.602SS.*SBendtrans-148.782.4-177.2-70.1-165.5175.1-177.82111.5L79 P88L79-R91 VanDerWaalsContact CB-NH1 3.26Å; L79-R91 PolarHBondContact O-NH1 2.87Å; P88-R91 CarbonylContact O-C 3.27Å; P88-R91 VanDerWaalsContact O-C 3.27Å; P88-R91 PolarHBondContact O-N 3.25Å
92P83.1Confident75.4Confident90 Ų90117 Ų11758%0.58461%0.609SS**  trans-66.6141.4178.327.7-34.4000111.4
93F87.1Confident73.3Confident158 Ų158126 Ų12669%0.69365%0.649SS**  trans-65.6138.9168.4-71.1-76.1000110.3I75 F83I75-F93 HydrophobicContact CD1-CE1 4.22Å; F83-F93 AromaticContact CE2-CE1 3.56Å; F83-F93 HydrophobicContact CE2-CE1 3.56Å; F83-F93 AromaticContact CE2-CZ 3.92Å; F83-F93 HydrophobicContact CE2-CZ 3.92Å; F83-F93 AromaticContact CZ-CE1 3.79Å; F83-F93 HydrophobicContact CZ-CE1 3.79Å; F83-F93 AromaticContact CZ-CZ 3.91Å; F83-F93 HydrophobicContact CZ-CZ 3.91Å
94R88.5Confident70.8Confident222 Ų222132 Ų13284%0.83868%0.678SS**  trans-122.2133.9174.6-64.4-179.4-178.9-102.70.6108.9
95T90.1Very high68.2Low135 Ų135130 Ų13083%0.82868%0.681SS**PPolyproline II helixtrans-77.6128.2173.1-550000109.3I97T95-I97 PolarHBondContact O-N 2.85Å
96L86.7Confident65.8Low105 Ų105134.1 Ų134.155%0.5570%0.695SS.*PPolyproline II helixtrans-72.6119173.3-176.271.3000109.5
97I87Confident63.8Low150 Ų150138.8 Ų138.877%0.76972%0.715SS**PPolyproline II helixtrans-93.2116.8173-56-178.3000108T95 A99T95-I97 PolarHBondContact O-N 2.85Å; I97-A99 PolarHBondContact O-N 2.92Å
98K73.8Confident62.1Low122 Ų122139.9 Ų139.953%0.5373%0.729SS.*  trans-71.6110.9170.4-66.7-178.5179.7176.70107.3E68 N100E68-K98 VanDerWaalsContact CD-NZ 3.25Å; E68-K98 IonicContact OE1-NZ 3Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 IonicContact OE2-NZ 3.1Å; E68-K98 PolarHBondContact OE2-NZ 3.33Å; K98-N100 PolarHBondContact O-N 2.97Å; K98-N100 VanDerWaalsContact O-N 3.14Å
99A63.3Low60.8Low91 Ų91140.5 Ų140.575%0.75274%0.736SS**  trans-63.1116.6172.600000108.4I97 A101I97-A99 PolarHBondContact O-N 2.92Å; A99-A101 PolarHBondContact O-N 3.07Å
100N48.1Very low59.4Low151 Ų151144.2 Ų144.281%0.80776%0.76SS**  trans-60.5130168.8-73.6-36.4000107.5K98 K102K98-N100 PolarHBondContact O-N 2.97Å; K98-N100 VanDerWaalsContact O-N 3.14Å; N100-K102 PolarHBondContact O-N 3.46Å
101A45Very low58.7Low109 Ų109145.4 Ų145.490%0.90177%0.77SS**SBendtrans-6770.5177.900000111.3A99A99-A101 PolarHBondContact O-N 3.07Å
102K38.7Very low57.9Low193 Ų193147.9 Ų147.984%0.83979%0.791SS**  trans-154.373.1163-73.9-159.4-178.9-174.60109N100N100-K102 PolarHBondContact O-N 3.46Å
103Q41.2Very low56.5Low196 Ų196151.1 Ų151.192%0.91680%0.802SS**  trans-11285.7143.9-89179.3-78.800106.4S105Q103-S105 PolarHBondContact O-N 3.29Å
104Q37Very low54.7Low175 Ų175150.7 Ų150.782%0.81881%0.809SS**  trans-59.6128.1162.3-170.7160.61.100106.7L106Q104-L106 PolarHBondContact O-N 3.04Å
105S35.3Very low52.6Low95 Ų95146.3 Ų146.366%0.66481%0.807SS**  trans-40.5109.2174.648.80000111.8Q103 Q107Q103-S105 PolarHBondContact O-N 3.29Å; S105-Q107 VanDerWaalsContact C-N 3.25Å; S105-Q107 PolarHBondContact O-N 2.92Å; S105-Q107 VanDerWaalsContact O-N 3.11Å
106L36.8Very low50.1Low173 Ų173147 Ų14791%0.90681%0.805SS**  trans-73.193.3151-88.789.3000106.1Q104Q104-L106 PolarHBondContact O-N 3.04Å
107Q37.8Very low47.5Very low168 Ų168150 Ų15079%0.78582%0.824SS**  trans-71.6127.5150.7-71.6-168.5-11.100106.6S105 S109S105-Q107 VanDerWaalsContact C-N 3.25Å; S105-Q107 PolarHBondContact O-N 2.92Å; S105-Q107 VanDerWaalsContact O-N 3.11Å; Q107-S109 PolarHBondContact O-N 3Å
108P39.7Very low44.5Very low125 Ų125150 Ų15081%0.81283%0.828SS**  trans-67.4115.5167.320.9-19.3000108
109S41.8Very low42.1Very low107 Ų107152.3 Ų152.375%0.74885%0.853SS**  trans-76.9126.6162.7500000109Q107Q107-S109 PolarHBondContact O-N 3Å
110L40Very low40.1Very low245 Ų245157.9 Ų157.9100%1.28386%0.862SS**  trans80.90179.6-68.7134.3000116.2

Retrieved 110 of 110 residues in 133.8 ms (Link to these results)