A0A087YHR9_POEFO Loading...

Chromosome 2 open reading frame 76

AlphaFold DB , UniProt , Accession A0A087YHR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 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
1M42.5Very low52.3Low248 Ų248146.7 Ų146.7100%1.22279%0.794SS**  094.50-61.8-169.7-166.200106.9
2A49.3Very low52.7Low101 Ų101144.9 Ų144.984%0.83578%0.782SS**  trans-81.2119.8175.500000106.9E4A2-E4 PolarHBondContact O-N 3.09Å; A2-E4 VanDerWaalsContact O-N 3.09Å
3G51.4Low53.5Low76 Ų76139.3 Ų139.378%0.78475%0.751SS**  trans-61.1112.6178.600000109.6R5G3-R5 PolarHBondContact O-N 3Å
4E53.7Low54.7Low183 Ų183136.1 Ų136.186%0.85574%0.739SS**  trans-59.2106.1168.1-129.6142.370.500107.2A2 L6A2-E4 PolarHBondContact O-N 3.09Å; A2-E4 VanDerWaalsContact O-N 3.09Å; E4-L6 PolarHBondContact O-N 3.26Å
5R54.1Low56.3Low211 Ų211130.8 Ų130.880%0.79671%0.714SS**  trans-70.487.1172.6-175.9165.7157.6178-7.4106.1G3 S7G3-R5 PolarHBondContact O-N 3Å; R5-S7 PolarHBondContact O-N 2.85Å
6L55.3Low58.3Low148 Ų148122.8 Ų122.878%0.77567%0.67SS**  trans-46.6109.1170.6-79.7156.8000107.8E4 Y8E4-L6 PolarHBondContact O-N 3.26Å; L6-Y8 PolarHBondContact O-N 2.95Å
7S50.6Low60.3Low107 Ų107118.1 Ų118.175%0.74865%0.646SS**  trans-59.1101.416741.80000107.3R5R5-S7 PolarHBondContact O-N 2.85Å
8Y56.3Low62.1Low136 Ų136111.5 Ų111.553%0.53361%0.61SS.*  trans-53.8130.4167.310.8-97.3000107.9L6 E10L6-Y8 PolarHBondContact O-N 2.95Å; Y8-E10 HydrophobicContact CD2-CG 4.43Å; Y8-E10 WeakPolarHBondContact CD2-OE2 3.4Å; Y8-E10 PolarHBondContact O-N 2.96Å
9P53.3Low63.8Low105 Ų105107.1 Ų107.168%0.68259%0.587SS**  trans-75.970.2172.832.5-33.6000108.6D11 L12P9-D11 PolarHBondContact O-N 2.88Å; P9-L12 HydrophobicContact CB-CD1 4.02Å; P9-L12 HydrophobicContact CG-CD1 4.42Å
10E54.4Low65.3Low147 Ų147101.7 Ų101.769%0.68756%0.558SS**THydrogen-bonded Turntrans-82.813.2-178.7-93-179.6108.500114.1Y8Y8-E10 HydrophobicContact CD2-CG 4.43Å; Y8-E10 WeakPolarHBondContact CD2-OE2 3.4Å; Y8-E10 PolarHBondContact O-N 2.96Å
11D55Low66.5Low152 Ų15298.4 Ų98.481%0.81354%0.537SS*.THydrogen-bonded Turntrans-132.537.3175.6-75.2-80.6000111.7P9 D13P9-D11 PolarHBondContact O-N 2.88Å; D11-D13 PolarHBondContact O-N 2.62Å; D11-D13 VanDerWaalsContact O-N 3.1Å
12L57Low68.9Low125 Ų12586.6 Ų86.665%0.65448%0.479SS*.  trans-61117.9152.1-90.5102000105.8P9 V14P9-L12 HydrophobicContact CB-CD1 4.02Å; P9-L12 HydrophobicContact CG-CD1 4.42Å; L12-V14 HydrophobicContact CB-CG1 4.17Å; L12-V14 PolarHBondContact O-N 3.48Å
13D62.7Low70.8Confident72 Ų7281.8 Ų81.839%0.38544%0.439SS..  trans-57.278.3164.9-169.6-106000106.6D11 P15 S40 N42D11-D13 PolarHBondContact O-N 2.62Å; D11-D13 VanDerWaalsContact O-N 3.1Å; D13-P15 VanDerWaalsContact O-CD 3.24Å; D13-P15 WeakPolarHBondContact O-CD 3.21Å; D13-P15 VanDerWaalsContact O-N 3.16Å; D13-S40 WeakPolarHBondContact OD1-CB 3.45Å; D13-S40 PolarHBondContact OD1-OG 3.23Å; D13-N42 PolarHBondContact OD2-ND2 3.47Å
14V69.8Low72.6Confident95 Ų9582.7 Ų82.758%0.57642%0.419SS*.PPolyproline II helixtrans-68.5119.7-176.9-76.10000105.2L12 A16L12-V14 HydrophobicContact CB-CG1 4.17Å; L12-V14 PolarHBondContact O-N 3.48Å; V14-A16 PolarHBondContact O-N 3.13Å
15P79.2Confident74Confident56 Ų5674.8 Ų74.836%0.36438%0.384SS..PPolyproline II helixtrans-58.2117.6-177.416.6-27.9000109.4D13 Q38D13-P15 VanDerWaalsContact O-CD 3.24Å; D13-P15 WeakPolarHBondContact O-CD 3.21Å; D13-P15 VanDerWaalsContact O-N 3.16Å; P15-Q38 VanDerWaalsContact CB-CA 3.5Å; P15-Q38 HydrophobicContact CB-CB 4.07Å; P15-Q38 HydrophobicContact CB-CG 4.25Å; P15-Q38 VanDerWaalsContact CG-NE2 3.27Å
16A89Confident75.3Confident2 Ų265.1 Ų65.12%0.01735%0.347CS..EExtended strand (participates in β ladder)trans-81.6148.4177.400000110.3V14 V18 Q38 V39 L41 N113V14-A16 PolarHBondContact O-N 3.13Å; A16-V18 HydrophobicContact CB-CG2 4.49Å; A16-Q38 PolarHBondContact O-N 2.93Å; A16-V39 WeakPolarHBondContact CB-O 3.29Å; A16-V39 PolarHBondContact N-O 3.32Å; A16-V39 WeakPolarHBondContact O-CB 3.3Å; A16-V39 PolarHBondContact O-N 2.77Å; A16-L41 HydrophobicContact CB-CD1 3.89Å; A16-L41 HydrophobicContact CB-CD2 3.55Å; A16-L41 HydrophobicContact CB-CG 3.61Å; A16-N113 HydrophobicContact CB-CB 4.43Å
17V91.8Very high76.5Confident43 Ų4360.2 Ų60.226%0.26132%0.32SS..EExtended strand (participates in β ladder)trans-96.6120.8167.3-177.70000107.6V35 F36 Q37 N113 E114V17-V35 HydrophobicContact CG1-CG1 3.61Å; V17-F36 WeakPolarHBondContact CA-O 3.45Å; V17-Q37 HydrophobicContact CG1-CG 4.49Å; V17-Q37 HydrophobicContact CG2-CG 4.49Å; V17-N113 PolarHBondContact N-OD1 3.38Å; V17-E114 VanDerWaalsContact O-CA 3.22Å; V17-E114 WeakPolarHBondContact O-CA 3.15Å; V17-E114 PolarHBondContact O-N 3.1Å
18V92.8Very high77.8Confident0 Ų060.2 Ų60.20%031%0.309CS..EExtended strand (participates in β ladder)trans-120.8128.4178.2-178.90000108.6A16 V20 F36 V39 F48 V111 V117A16-V18 HydrophobicContact CB-CG2 4.49Å; V18-V20 HydrophobicContact CG1-CG2 4.36Å; V18-F36 PolarHBondContact N-O 3.28Å; V18-F36 PolarHBondContact O-N 3.26Å; V18-V39 HydrophobicContact CB-CG2 4.17Å; V18-V39 HydrophobicContact CG2-CB 4.02Å; V18-V39 HydrophobicContact CG2-CG1 4.01Å; V18-V39 HydrophobicContact CG2-CG2 4.13Å; V18-F48 HydrophobicContact CB-CZ 4.29Å; V18-F48 HydrophobicContact CG1-CE1 4.33Å; V18-F48 HydrophobicContact CG1-CZ 4.12Å; V18-V111 HydrophobicContact CG1-CG1 4.38Å; V18-V111 HydrophobicContact CG2-CG1 3.83Å; V18-V117 HydrophobicContact CG1-CG1 4.39Å; V18-V117 HydrophobicContact CG1-CG2 3.96Å
19T93.4Very high78.8Confident27 Ų2759.8 Ų59.817%0.16631%0.306CS..EExtended strand (participates in β ladder)trans-95.4117.1174.4-59.90000109.1P33 V35 T115 E116 V117T19-P33 HydrophobicContact CG2-CB 4.16Å; T19-V35 HydrophobicContact CG2-CG2 4.37Å; T19-T115 PolarHBondContact N-O 3.47Å; T19-E116 CarbonylContact O-C 3Å; T19-E116 VanDerWaalsContact O-CA 3.32Å; T19-E116 WeakPolarHBondContact O-CA 3.4Å; T19-V117 PolarHBondContact O-N 2.98Å
20V93.7Very high80.2Confident0 Ų057.4 Ų57.40%029%0.288CS..EExtended strand (participates in β ladder)trans-100.1113.4177.5-176.60000109.2V18 L22 V34 F36 F48 V52 M74 V117 F119V18-V20 HydrophobicContact CG1-CG2 4.36Å; V20-L22 HydrophobicContact CG1-CD2 4.11Å; V20-L22 PolarHBondContact O-N 3.12Å; V20-V34 PolarHBondContact N-O 2.94Å; V20-V34 PolarHBondContact O-N 3.18Å; V20-F36 HydrophobicContact CB-CD2 3.94Å; V20-F36 HydrophobicContact CB-CE2 3.81Å; V20-F36 HydrophobicContact CG2-CD2 3.5Å; V20-F36 VanDerWaalsContact CG2-CD2 3.5Å; V20-F36 HydrophobicContact CG2-CE2 3.75Å; V20-F36 HydrophobicContact CG2-CG 4.5Å; V20-F48 HydrophobicContact CG2-CE1 3.9Å; V20-F48 HydrophobicContact CG2-CZ 3.76Å; V20-V52 HydrophobicContact CG1-CG1 4.18Å; V20-V52 HydrophobicContact CG2-CG2 4.2Å; V20-M74 HydrophobicContact CG1-CE 4.39Å; V20-V117 CarbonylContact C-O 3.58Å; V20-V117 WeakPolarHBondContact CA-O 3.27Å; V20-V117 HydrophobicContact CB-CG2 4.24Å; V20-V117 HydrophobicContact CG1-CG2 4.3Å; V20-V117 HydrophobicContact CG2-CG2 3.75Å; V20-F119 HydrophobicContact CG1-CB 3.61Å; V20-F119 HydrophobicContact CG1-CG 4.42Å
21R91.9Very high81.8Confident33 Ų3353.2 Ų53.213%0.12527%0.267CS..EExtended strand (participates in β ladder)trans-85.3107.1171.3-63-170.6-175.5-178.94.5108.9I23 F31 P33 I77 E116 V117 G118 F119R21-I23 PolarHBondContact O-N 3.15Å; R21-I23 VanDerWaalsContact O-N 3.12Å; R21-F31 HydrophobicContact CB-CD2 4.07Å; R21-F31 HydrophobicContact CG-CD2 4.08Å; R21-F31 HydrophobicContact CG-CE2 4.34Å; R21-P33 HydrophobicContact CG-CB 4.37Å; R21-I77 HydrophobicContact CB-CD1 4.14Å; R21-I77 HydrophobicContact CG-CD1 4.29Å; R21-E116 IonicContact CZ-OE1 2.71Å; R21-E116 VanDerWaalsContact CZ-OE1 3.22Å; R21-E116 IonicContact NE-OE1 3.32Å; R21-E116 PolarHBondContact NE-OE1 2.85Å; R21-E116 IonicContact NH2-OE1 2.94Å; R21-E116 PolarHBondContact NH2-OE1 2.99Å; R21-E116 IonicContact NH2-OE2 3.48Å; R21-E116 PolarHBondContact NH2-OE2 2.88Å; R21-V117 PolarHBondContact N-O 3.12Å; R21-G118 CarbonylContact O-C 3.52Å; R21-G118 WeakPolarHBondContact O-CA 3.37Å; R21-F119 PolarHBondContact O-N 2.76Å
22L91.9Very high83.4Confident0 Ų050.8 Ų50.80%025%0.249CC..EExtended strand (participates in β ladder)trans-72102172.9-56.6178.7000108.5V20 F31 K32 V34 V52 I56 L62 F66 Y71 F119V20-L22 HydrophobicContact CG1-CD2 4.11Å; V20-L22 PolarHBondContact O-N 3.12Å; L22-F31 CarbonylContact O-C 3.47Å; L22-F31 WeakPolarHBondContact O-CA 3.37Å; L22-F31 WeakPolarHBondContact O-CB 3.36Å; L22-K32 PolarHBondContact N-O 3.31Å; L22-K32 PolarHBondContact O-N 3.42Å; L22-V34 HydrophobicContact CD1-CG2 3.7Å; L22-V34 HydrophobicContact CG-CG2 3.99Å; L22-V52 HydrophobicContact CD2-CG1 4.4Å; L22-I56 HydrophobicContact CD1-CB 4.39Å; L22-I56 HydrophobicContact CD1-CG2 3.67Å; L22-I56 HydrophobicContact CD2-CD1 4.37Å; L22-I56 HydrophobicContact CD2-CG2 4Å; L22-I56 HydrophobicContact CG-CG2 4.43Å; L22-L62 HydrophobicContact CD1-CD1 4.26Å; L22-L62 HydrophobicContact CD1-CD2 3.86Å; L22-F66 HydrophobicContact CB-CD1 3.93Å; L22-F66 HydrophobicContact CB-CE1 4.46Å; L22-F66 WeakPolarHBondContact O-CE1 3.29Å; L22-Y71 HydrophobicContact CB-CE1 4.03Å; L22-Y71 HydrophobicContact CD2-CE1 4.37Å; L22-Y71 HydrophobicContact CD2-CE2 4.47Å; L22-F119 HydrophobicContact CD2-CB 4.33Å; L22-F119 HydrophobicContact CD2-CD1 3.9Å
23I90.3Very high85Confident0 Ų048 Ų480%024%0.239CC..EExtended strand (participates in β ladder)trans-93.7114.5-179.3-59.4163.5000108R21 F26 F31 I77 V89 M90 F119 F120R21-I23 PolarHBondContact O-N 3.15Å; R21-I23 VanDerWaalsContact O-N 3.12Å; I23-F26 HydrophobicContact CD1-CE1 4.22Å; I23-F26 HydrophobicContact CG2-CD1 4.04Å; I23-F26 HydrophobicContact CG2-CD2 4.43Å; I23-F26 HydrophobicContact CG2-CE1 3.84Å; I23-F26 HydrophobicContact CG2-CE2 4.25Å; I23-F26 HydrophobicContact CG2-CG 4.33Å; I23-F26 HydrophobicContact CG2-CZ 3.94Å; I23-F31 HydrophobicContact CG1-CB 3.99Å; I23-I77 HydrophobicContact CD1-CD1 4.38Å; I23-V89 HydrophobicContact CD1-CG1 4.33Å; I23-V89 HydrophobicContact CG2-CG1 4.02Å; I23-M90 HydrophobicContact CD1-CB 4.05Å; I23-M90 HydrophobicContact CD1-CE 3.88Å; I23-M90 HydrophobicContact CD1-SD 4.12Å; I23-F119 PolarHBondContact N-O 3.46Å; I23-F120 HydrophobicContact CB-CB 4.11Å; I23-F120 HydrophobicContact CD1-CD1 4.49Å
24R88Confident86.4Confident95 Ų9544.9 Ų44.936%0.35822%0.223SC..EExtended strand (participates in β ladder)trans-96.5-29.5179.3-177.5-94.2178167.31.8112.2N30 F66 Y69R24-N30 PolarHBondContact N-O 3.44Å; R24-F66 HydrophobicContact CB-CD1 4.24Å; R24-F66 HydrophobicContact CB-CE1 3.89Å; R24-F66 HydrophobicContact CB-CZ 4.37Å; R24-Y69 HydrophobicContact CG-CD2 4.18Å; R24-Y69 HydrophobicContact CG-CE2 4.39Å
25S83.1Confident87.4Confident17 Ų1743.8 Ų43.812%0.11922%0.216CC..EExtended strand (participates in β ladder)trans-151.6122.2178-179.50000110.8Q28 R29 N30S25-Q28 PolarHBondContact OG-N 3.34Å; S25-R29 PolarHBondContact O-N 3.33Å; S25-N30 PolarHBondContact N-O 3.03Å; S25-N30 PolarHBondContact O-N 2.85Å
26F82.1Confident88.1Confident7 Ų742.3 Ų42.33%0.03120%0.204CC..THydrogen-bonded Turntrans-70.2-43.8172.9-63.6-83.4000111.6I23 Q28 R29 V89 M90 F120 D124 Y125 Y128I23-F26 HydrophobicContact CD1-CE1 4.22Å; I23-F26 HydrophobicContact CG2-CD1 4.04Å; I23-F26 HydrophobicContact CG2-CD2 4.43Å; I23-F26 HydrophobicContact CG2-CE1 3.84Å; I23-F26 HydrophobicContact CG2-CE2 4.25Å; I23-F26 HydrophobicContact CG2-CG 4.33Å; I23-F26 HydrophobicContact CG2-CZ 3.94Å; F26-Q28 PolarHBondContact O-N 3.05Å; F26-R29 PolarHBondContact O-N 3.27Å; F26-V89 HydrophobicContact CD1-CG1 3.7Å; F26-V89 HydrophobicContact CE1-CG1 4.23Å; F26-M90 HydrophobicContact CE1-CB 4.29Å; F26-M90 HydrophobicContact CE1-SD 4.01Å; F26-F120 HydrophobicContact CE2-CB 3.97Å; F26-F120 HydrophobicContact CE2-CD2 4.11Å; F26-F120 HydrophobicContact CE2-CG 4.23Å; F26-F120 HydrophobicContact CZ-CB 3.55Å; F26-F120 HydrophobicContact CZ-CD1 4.17Å; F26-F120 AromaticContact CZ-CD2 3.63Å; F26-F120 HydrophobicContact CZ-CD2 3.63Å; F26-F120 HydrophobicContact CZ-CE2 4.32Å; F26-F120 AromaticContact CZ-CG 3.53Å; F26-F120 HydrophobicContact CZ-CG 3.53Å; F26-D124 HydrophobicContact CD2-CB 4.5Å; F26-D124 HydrophobicContact CE2-CB 4.44Å; F26-Y125 HydrophobicContact CD1-CD2 4.4Å; F26-Y125 AromaticContact CE1-CD2 3.73Å; F26-Y125 HydrophobicContact CE1-CD2 3.73Å; F26-Y125 HydrophobicContact CE1-CE2 4.45Å; F26-Y125 HydrophobicContact CE2-CD2 4.24Å; F26-Y125 AromaticContact CZ-CD2 3.63Å; F26-Y125 HydrophobicContact CZ-CD2 3.63Å; F26-Y125 HydrophobicContact CZ-CG 4.24Å; F26-Y128 HydrophobicContact CB-CD1 3.63Å; F26-Y128 HydrophobicContact CB-CD2 3.61Å; F26-Y128 HydrophobicContact CB-CE1 4.04Å; F26-Y128 HydrophobicContact CB-CE2 4.02Å; F26-Y128 HydrophobicContact CB-CG 3.4Å; F26-Y128 HydrophobicContact CD1-CD1 4.37Å; F26-Y128 HydrophobicContact CG-CD1 4.11Å; F26-Y128 HydrophobicContact CG-CG 4.13Å
27E79.3Confident88.1Confident45 Ų4549.3 Ų49.321%0.2124%0.236CC..THydrogen-bonded Turntrans-60.2-44.4-179.6-62.5-175.893.900112.6R29 Y128 K133 K135E27-R29 VanDerWaalsContact C-N 3.31Å; E27-Y128 HydrophobicContact CG-CD2 3.95Å; E27-Y128 HydrophobicContact CG-CE2 4.38Å; E27-K133 WeakPolarHBondContact CG-O 3.4Å; E27-K135 PolarHBondContact O-N 3.03Å; E27-K135 WeakPolarHBondContact OE1-CE 3.31Å; E27-K135 IonicContact OE1-NZ 3.9Å
28Q77.9Confident88Confident108 Ų10854 Ų5451%0.50526%0.255SS..THydrogen-bonded Turntrans-88.4-0.4-177.9-62177.6-6.400113.1S25 F26 N30S25-Q28 PolarHBondContact OG-N 3.34Å; F26-Q28 PolarHBondContact O-N 3.05Å; Q28-N30 HydrophobicContact CB-CB 4.26Å; Q28-N30 PolarHBondContact O-N 3.38Å; Q28-N30 VanDerWaalsContact O-N 3.16Å
29R78.6Confident87.8Confident126 Ų12654.4 Ų54.448%0.47526%0.257SS..THydrogen-bonded Turntrans51.536.6-173.5-52.3-172.3179.9-176-2.4114.4S25 F26 E27 V89 S134S25-R29 PolarHBondContact O-N 3.33Å; F26-R29 PolarHBondContact O-N 3.27Å; E27-R29 VanDerWaalsContact C-N 3.31Å; R29-V89 HydrophobicContact CB-CG2 3.29Å; R29-V89 HydrophobicContact CG-CG2 3.62Å; R29-S134 PolarHBondContact NH2-OG 3.37Å
30N82.3Confident87.7Confident55 Ų5555.3 Ų55.329%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-93.8107.8-173.2-170.57.7000110.4R24 S25 Q28 F66R24-N30 PolarHBondContact N-O 3.44Å; S25-N30 PolarHBondContact N-O 3.03Å; S25-N30 PolarHBondContact O-N 2.85Å; Q28-N30 HydrophobicContact CB-CB 4.26Å; Q28-N30 PolarHBondContact O-N 3.38Å; Q28-N30 VanDerWaalsContact O-N 3.16Å; N30-F66 WeakPolarHBondContact OD1-CZ 3.26Å
31F88Confident87.6Confident59 Ų5955.9 Ų55.926%0.25927%0.268SS..EExtended strand (participates in β ladder)trans-138.2157.4175.772.7-85.5000112.4R21 L22 I23 L88 V89R21-F31 HydrophobicContact CB-CD2 4.07Å; R21-F31 HydrophobicContact CG-CD2 4.08Å; R21-F31 HydrophobicContact CG-CE2 4.34Å; L22-F31 CarbonylContact O-C 3.47Å; L22-F31 WeakPolarHBondContact O-CA 3.37Å; L22-F31 WeakPolarHBondContact O-CB 3.36Å; I23-F31 HydrophobicContact CG1-CB 3.99Å; F31-L88 WeakPolarHBondContact CE1-O 3.48Å; F31-V89 HydrophobicContact CD1-CG2 4.4Å
32K89.3Confident87.5Confident101 Ų10158.8 Ų58.844%0.43929%0.286SS..EExtended strand (participates in β ladder)trans-127.6117.4173.3-170.970.9176.1178.80109.8L22 L62 F66L22-K32 PolarHBondContact N-O 3.31Å; L22-K32 PolarHBondContact O-N 3.42Å; K32-L62 HydrophobicContact CG-CD2 3.93Å; K32-F66 HydrophobicContact CB-CD1 3.96Å; K32-F66 HydrophobicContact CB-CE1 3.68Å; K32-F66 HydrophobicContact CB-CG 4.5Å; K32-F66 HydrophobicContact CB-CZ 3.98Å
33P90.3Very high87.5Confident68 Ų6860.8 Ų60.844%0.44230%0.295SS..EExtended strand (participates in β ladder)trans-73.9137.2174.530.1-33.2000110.5T19 R21T19-P33 HydrophobicContact CG2-CB 4.16Å; R21-P33 HydrophobicContact CG-CB 4.37Å
34V91.6Very high87.7Confident6 Ų663.1 Ų63.14%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-133.5118.9178.2-176.90000107.8V20 L22 F36 R59 L62V20-V34 PolarHBondContact N-O 2.94Å; V20-V34 PolarHBondContact O-N 3.18Å; L22-V34 HydrophobicContact CD1-CG2 3.7Å; L22-V34 HydrophobicContact CG-CG2 3.99Å; V34-F36 HydrophobicContact CB-CE2 3.9Å; V34-F36 HydrophobicContact CG1-CD2 4.15Å; V34-F36 HydrophobicContact CG1-CE2 3.44Å; V34-F36 VanDerWaalsContact CG1-CE2 3.44Å; V34-F36 HydrophobicContact CG1-CZ 3.81Å; V34-R59 VanDerWaalsContact CG1-CZ 3.48Å; V34-L62 HydrophobicContact CG2-CD1 4.42Å; V34-L62 HydrophobicContact CG2-CD2 4.43Å
35V91.8Very high87.9Confident72 Ų7258.6 Ų58.644%0.43629%0.293SS..EExtended strand (participates in β ladder)trans-88.2127.4-179.6-175.20000109.4V17 T19 Q37V17-V35 HydrophobicContact CG1-CG1 3.61Å; T19-V35 HydrophobicContact CG2-CG2 4.37Å; V35-Q37 HydrophobicContact CG1-CG 4.3Å
36F92.2Very high88.4Confident25 Ų2562.8 Ų62.811%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-108.5118.7172.3-69.8-93.9000108.2V17 V18 V20 V34 V39 F48 V52 D55V17-F36 WeakPolarHBondContact CA-O 3.45Å; V18-F36 PolarHBondContact N-O 3.28Å; V18-F36 PolarHBondContact O-N 3.26Å; V20-F36 HydrophobicContact CB-CD2 3.94Å; V20-F36 HydrophobicContact CB-CE2 3.81Å; V20-F36 HydrophobicContact CG2-CD2 3.5Å; V20-F36 VanDerWaalsContact CG2-CD2 3.5Å; V20-F36 HydrophobicContact CG2-CE2 3.75Å; V20-F36 HydrophobicContact CG2-CG 4.5Å; V34-F36 HydrophobicContact CB-CE2 3.9Å; V34-F36 HydrophobicContact CG1-CD2 4.15Å; V34-F36 HydrophobicContact CG1-CE2 3.44Å; V34-F36 VanDerWaalsContact CG1-CE2 3.44Å; V34-F36 HydrophobicContact CG1-CZ 3.81Å; F36-V39 HydrophobicContact CB-CG2 3.66Å; F36-F48 HydrophobicContact CB-CE2 4.47Å; F36-V52 HydrophobicContact CD1-CG2 4.4Å; F36-V52 HydrophobicContact CD2-CG2 4.35Å; F36-V52 HydrophobicContact CE1-CG2 4Å; F36-V52 HydrophobicContact CE2-CG1 4.12Å; F36-V52 HydrophobicContact CE2-CG2 3.95Å; F36-V52 HydrophobicContact CZ-CB 4.1Å; F36-V52 HydrophobicContact CZ-CG1 3.87Å; F36-V52 HydrophobicContact CZ-CG2 3.77Å; F36-D55 HydrophobicContact CE1-CB 3.74Å; F36-D55 HydrophobicContact CZ-CB 4.16Å
37Q90.2Very high89Confident148 Ų14864.7 Ų64.769%0.69232%0.321SS*.EExtended strand (participates in β ladder)trans-99.6156.1175.4-59.7178.1-67.700108.5V17 V35 V39V17-Q37 HydrophobicContact CG1-CG 4.49Å; V17-Q37 HydrophobicContact CG2-CG 4.49Å; V35-Q37 HydrophobicContact CG1-CG 4.3Å; Q37-V39 VanDerWaalsContact C-N 3.34Å
38Q88.4Confident89.7Confident143 Ų14362.8 Ų62.867%0.66831%0.312SS*.EExtended strand (participates in β ladder)trans65.236179.4-47.5-70.4-68.200114P15 A16 S40P15-Q38 VanDerWaalsContact CB-CA 3.5Å; P15-Q38 HydrophobicContact CB-CB 4.07Å; P15-Q38 HydrophobicContact CB-CG 4.25Å; P15-Q38 VanDerWaalsContact CG-NE2 3.27Å; A16-Q38 PolarHBondContact O-N 2.93Å; Q38-S40 PolarHBondContact O-N 2.9Å
39V90.5Very high90.4Very high7 Ų758.5 Ų58.54%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-81.5115.9176.1-176.50000109.1A16 V18 F36 Q37 L41 Q43 F48 L106A16-V39 WeakPolarHBondContact CB-O 3.29Å; A16-V39 PolarHBondContact N-O 3.32Å; A16-V39 WeakPolarHBondContact O-CB 3.3Å; A16-V39 PolarHBondContact O-N 2.77Å; V18-V39 HydrophobicContact CB-CG2 4.17Å; V18-V39 HydrophobicContact CG2-CB 4.02Å; V18-V39 HydrophobicContact CG2-CG1 4.01Å; V18-V39 HydrophobicContact CG2-CG2 4.13Å; F36-V39 HydrophobicContact CB-CG2 3.66Å; Q37-V39 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.09Å; V39-Q43 VanDerWaalsContact CG1-NE2 3.31Å; V39-F48 HydrophobicContact CB-CE2 4.34Å; V39-F48 HydrophobicContact CG1-CD2 3.8Å; V39-F48 HydrophobicContact CG1-CE2 3.56Å; V39-F48 HydrophobicContact CG1-CZ 4.25Å; V39-F48 HydrophobicContact CG2-CE2 3.76Å; V39-F48 HydrophobicContact CG2-CZ 4.35Å; V39-L106 HydrophobicContact CG1-CD1 3.49Å; V39-L106 VanDerWaalsContact CG1-CD1 3.49Å
40S91.3Very high91.1Very high46 Ų4658.6 Ų58.632%0.32229%0.292SS..  trans-70.9117.6170.6-67.10000109.8D13 Q38 N42 Q43D13-S40 WeakPolarHBondContact OD1-CB 3.45Å; D13-S40 PolarHBondContact OD1-OG 3.23Å; Q38-S40 PolarHBondContact O-N 2.9Å; S40-N42 PolarHBondContact O-N 3.43Å; S40-Q43 WeakPolarHBondContact O-CG 2.97Å; S40-Q43 PolarHBondContact O-N 2.87Å; S40-Q43 PolarHBondContact O-NE2 2.78Å
41L89.9Confident91.6Very high13 Ų1358.8 Ų58.87%0.06830%0.297CS..THydrogen-bonded Turntrans-71.7-13.1-180-62.1178000113.1A16 V39 L106 R107 V111A16-L41 HydrophobicContact CB-CD1 3.89Å; A16-L41 HydrophobicContact CB-CD2 3.55Å; A16-L41 HydrophobicContact CB-CG 3.61Å; V39-L41 PolarHBondContact O-N 3.09Å; L41-L106 HydrophobicContact CD2-CB 4.3Å; L41-L106 PolarHBondContact O-N 3.08Å; L41-R107 HydrophobicContact CB-CB 4.06Å; L41-R107 WeakPolarHBondContact O-CB 3.22Å; L41-R107 PolarHBondContact O-N 3.35Å; L41-V111 HydrophobicContact CD2-CB 4.42Å; L41-V111 HydrophobicContact CD2-CG1 3.94Å
42N90.3Very high91.8Very high93 Ų9356 Ų5650%0.49729%0.285SS..THydrogen-bonded Turntrans-83.5-11.7176.8-66.8-41.6000113.3D13 S40 T105D13-N42 PolarHBondContact OD2-ND2 3.47Å; S40-N42 PolarHBondContact O-N 3.43Å; N42-T105 VanDerWaalsContact O-CG2 3.31Å; N42-T105 WeakPolarHBondContact O-CG2 3.15Å
43Q91.8Very high91.9Very high42 Ų4256.9 Ų56.920%0.19629%0.286CS..SBendtrans-71.3155.6173.884.7-166.2-72.800110.6V39 S40 F48 T105 L106V39-Q43 VanDerWaalsContact CG1-NE2 3.31Å; S40-Q43 WeakPolarHBondContact O-CG 2.97Å; S40-Q43 PolarHBondContact O-N 2.87Å; S40-Q43 PolarHBondContact O-NE2 2.78Å; Q43-F48 HydrophobicContact CG-CB 4.14Å; Q43-T105 VanDerWaalsContact O-CA 3.3Å; Q43-T105 WeakPolarHBondContact O-CA 3.21Å; Q43-L106 HydrophobicContact CG-CD1 3.77Å; Q43-L106 HydrophobicContact CG-CG 4.26Å; Q43-L106 PolarHBondContact O-N 3.33Å
44T94.4Very high91.9Very high50 Ų5059.4 Ų59.431%0.30730%0.295SS..BIsolated β-bridgetrans-72.7152.317663.10000110.9Q46 D47 F48 Q104T44-Q46 PolarHBondContact O-N 3.45Å; T44-D47 PolarHBondContact O-N 3.37Å; T44-D47 VanDerWaalsContact O-N 3.15Å; T44-D47 WeakPolarHBondContact OG1-CB 3.39Å; T44-D47 PolarHBondContact OG1-N 2.63Å; T44-F48 PolarHBondContact O-N 3.45Å; T44-Q104 WeakPolarHBondContact CA-O 3.47Å
45V93.5Very high91.9Very high0 Ų061.8 Ų61.80%031%0.308CS..Hα-helixtrans-58.5-39.6175.3177.20000110D47 F48 M49 L100 Q101 Q104 L106 A109V45-D47 VanDerWaalsContact C-N 3.34Å; V45-D47 PolarHBondContact O-N 3Å; V45-F48 PolarHBondContact O-N 2.99Å; V45-M49 HydrophobicContact CG1-CE 4.02Å; V45-M49 HydrophobicContact CG1-CG 4.31Å; V45-M49 HydrophobicContact CG1-SD 4.3Å; V45-M49 WeakPolarHBondContact O-CB 3.21Å; V45-M49 VanDerWaalsContact O-CG 3.29Å; V45-M49 WeakPolarHBondContact O-CG 3.38Å; V45-M49 PolarHBondContact O-N 3.18Å; V45-L100 HydrophobicContact CB-CB 4.33Å; V45-L100 HydrophobicContact CG1-CB 3.52Å; V45-L100 HydrophobicContact CG1-CD2 3.92Å; V45-L100 HydrophobicContact CG1-CG 4.37Å; V45-L100 HydrophobicContact CG2-CB 3.86Å; V45-L100 HydrophobicContact CG2-CD2 3.95Å; V45-L100 HydrophobicContact CG2-CG 4.34Å; V45-Q101 WeakPolarHBondContact CB-O 3.32Å; V45-Q101 WeakPolarHBondContact CG2-O 3.24Å; V45-Q104 HydrophobicContact CG2-CG 4.12Å; V45-Q104 WeakPolarHBondContact CG2-O 3.22Å; V45-Q104 PolarHBondContact N-O 3.39Å; V45-L106 HydrophobicContact CG2-CD2 4.12Å; V45-A109 HydrophobicContact CG2-CB 4.13Å
46Q93.9Very high91.8Very high104 Ų10458.5 Ų58.549%0.48629%0.288SS..Hα-helixtrans-57.3-45.1175.6-162.8-173.34700112.9T44 M49 R50 D102T44-Q46 PolarHBondContact O-N 3.45Å; Q46-M49 PolarHBondContact O-N 3.21Å; Q46-R50 PolarHBondContact O-N 3.39Å; Q46-D102 HydrophobicContact CB-CB 4.03Å; Q46-D102 HydrophobicContact CG-CB 4.38Å; Q46-D102 PolarHBondContact N-O 2.92Å
47D93.6Very high91.6Very high48 Ų4859.9 Ų59.926%0.25730%0.304SS..Hα-helixtrans-65-46.2179.7-155.3-85.8000110.7T44 V45 M49 R50 C51T44-D47 PolarHBondContact O-N 3.37Å; T44-D47 VanDerWaalsContact O-N 3.15Å; T44-D47 WeakPolarHBondContact OG1-CB 3.39Å; T44-D47 PolarHBondContact OG1-N 2.63Å; V45-D47 VanDerWaalsContact C-N 3.34Å; V45-D47 PolarHBondContact O-N 3Å; D47-M49 PolarHBondContact O-N 3.31Å; D47-R50 VanDerWaalsContact CG-NH2 3.29Å; D47-R50 WeakPolarHBondContact O-CB 3.24Å; D47-R50 PolarHBondContact O-N 3.07Å; D47-R50 VanDerWaalsContact O-N 3.09Å; D47-R50 IonicContact OD1-NH2 3.48Å; D47-R50 PolarHBondContact OD1-NH2 3.47Å; D47-R50 IonicContact OD2-CZ 3.24Å; D47-R50 VanDerWaalsContact OD2-CZ 3.24Å; D47-R50 IonicContact OD2-NH1 3.13Å; D47-R50 PolarHBondContact OD2-NH1 3.03Å; D47-R50 VanDerWaalsContact OD2-NH1 3.13Å; D47-R50 IonicContact OD2-NH2 2.62Å; D47-R50 PolarHBondContact OD2-NH2 2.93Å; D47-C51 PolarHBondContact O-N 3.48Å; D47-C51 PolarHBondContact O-SG 3.32Å
48F93.9Very high91.5Very high5 Ų556.3 Ų56.32%0.02230%0.3CS..Hα-helixtrans-60.1-44.9176.2-175.3-117.2000112.1V18 V20 F36 V39 Q43 T44 V45 R50 C51 V52 M74 L106V18-F48 HydrophobicContact CB-CZ 4.29Å; V18-F48 HydrophobicContact CG1-CE1 4.33Å; V18-F48 HydrophobicContact CG1-CZ 4.12Å; V20-F48 HydrophobicContact CG2-CE1 3.9Å; V20-F48 HydrophobicContact CG2-CZ 3.76Å; F36-F48 HydrophobicContact CB-CE2 4.47Å; V39-F48 HydrophobicContact CB-CE2 4.34Å; V39-F48 HydrophobicContact CG1-CD2 3.8Å; V39-F48 HydrophobicContact CG1-CE2 3.56Å; V39-F48 HydrophobicContact CG1-CZ 4.25Å; V39-F48 HydrophobicContact CG2-CE2 3.76Å; V39-F48 HydrophobicContact CG2-CZ 4.35Å; Q43-F48 HydrophobicContact CG-CB 4.14Å; T44-F48 PolarHBondContact O-N 3.45Å; V45-F48 PolarHBondContact O-N 2.99Å; F48-R50 VanDerWaalsContact C-N 3.28Å; F48-R50 PolarHBondContact O-N 3.39Å; F48-C51 PolarHBondContact O-N 3.34Å; F48-V52 HydrophobicContact CD1-CG2 4.3Å; F48-V52 HydrophobicContact CD2-CG2 4.3Å; F48-V52 HydrophobicContact CE1-CG2 3.95Å; F48-V52 HydrophobicContact CE2-CG2 3.94Å; F48-V52 HydrophobicContact CG-CG2 4.47Å; F48-V52 HydrophobicContact CZ-CG2 3.76Å; F48-V52 VanDerWaalsContact O-CG2 3.3Å; F48-V52 WeakPolarHBondContact O-CG2 3.49Å; F48-V52 PolarHBondContact O-N 3.16Å; F48-M74 HydrophobicContact CD1-CE 3.78Å; F48-M74 HydrophobicContact CD1-SD 3.6Å; F48-M74 VanDerWaalsContact CD1-SD 3.6Å; F48-M74 HydrophobicContact CE1-CE 3.81Å; F48-M74 HydrophobicContact CE1-SD 3.81Å; F48-L106 HydrophobicContact CB-CD1 4Å; F48-L106 HydrophobicContact CB-CD2 4.08Å; F48-L106 HydrophobicContact CB-CG 4.31Å; F48-L106 HydrophobicContact CD1-CD1 4.2Å; F48-L106 HydrophobicContact CD1-CD2 3.75Å; F48-L106 HydrophobicContact CD2-CD1 4.1Å; F48-L106 HydrophobicContact CE1-CD2 4.48Å; F48-L106 HydrophobicContact CG-CD1 3.83Å; F48-L106 HydrophobicContact CG-CD2 4.05Å; F48-L106 HydrophobicContact CG-CG 4.46Å
49M93.7Very high91.4Very high18 Ų1854 Ų549%0.08929%0.285CS..Hα-helixtrans-60.3-36.5174.9-73.9-169.9-63.100112.5V45 Q46 D47 R53 D72 M74 D102 F119V45-M49 HydrophobicContact CG1-CE 4.02Å; V45-M49 HydrophobicContact CG1-CG 4.31Å; V45-M49 HydrophobicContact CG1-SD 4.3Å; V45-M49 WeakPolarHBondContact O-CB 3.21Å; V45-M49 VanDerWaalsContact O-CG 3.29Å; V45-M49 WeakPolarHBondContact O-CG 3.38Å; V45-M49 PolarHBondContact O-N 3.18Å; Q46-M49 PolarHBondContact O-N 3.21Å; D47-M49 PolarHBondContact O-N 3.31Å; M49-R53 WeakPolarHBondContact O-CB 3.22Å; M49-R53 VanDerWaalsContact O-CG 3.29Å; M49-R53 WeakPolarHBondContact O-CG 3.44Å; M49-R53 PolarHBondContact O-N 2.89Å; M49-R53 PolarHBondContact O-NE 3.43Å; M49-D72 VanDerWaalsContact SD-O 3.37Å; M49-M74 HydrophobicContact CB-CE 4.33Å; M49-M74 HydrophobicContact CG-CE 3.67Å; M49-M74 HydrophobicContact CG-CG 3.82Å; M49-M74 HydrophobicContact CG-SD 3.61Å; M49-M74 HydrophobicContact SD-CG 4.1Å; M49-D102 HydrophobicContact CE-CB 4.21Å; M49-F119 HydrophobicContact CB-CE2 4.24Å; M49-F119 HydrophobicContact CB-CZ 4.19Å; M49-F119 HydrophobicContact CG-CE2 3.84Å; M49-F119 HydrophobicContact CG-CZ 4.28Å; M49-F119 HydrophobicContact SD-CE2 3.9Å
50R92.8Very high90.9Very high127 Ų12762.1 Ų62.148%0.47932%0.323SS..Hα-helixtrans-67.2-47.8174.9-170.9-179.969.7-121.7-3.5110.9Q46 D47 F48 V52 R53 D54Q46-R50 PolarHBondContact O-N 3.39Å; D47-R50 VanDerWaalsContact CG-NH2 3.29Å; D47-R50 WeakPolarHBondContact O-CB 3.24Å; D47-R50 PolarHBondContact O-N 3.07Å; D47-R50 VanDerWaalsContact O-N 3.09Å; D47-R50 IonicContact OD1-NH2 3.48Å; D47-R50 PolarHBondContact OD1-NH2 3.47Å; D47-R50 IonicContact OD2-CZ 3.24Å; D47-R50 VanDerWaalsContact OD2-CZ 3.24Å; D47-R50 IonicContact OD2-NH1 3.13Å; D47-R50 PolarHBondContact OD2-NH1 3.03Å; D47-R50 VanDerWaalsContact OD2-NH1 3.13Å; D47-R50 IonicContact OD2-NH2 2.62Å; D47-R50 PolarHBondContact OD2-NH2 2.93Å; F48-R50 VanDerWaalsContact C-N 3.28Å; F48-R50 PolarHBondContact O-N 3.39Å; R50-V52 VanDerWaalsContact C-N 3.35Å; R50-V52 PolarHBondContact O-N 3.04Å; R50-R53 PolarHBondContact O-N 2.85Å; R50-D54 PolarHBondContact O-N 3.01Å
51C92.1Very high90.5Very high59 Ų5963.6 Ų63.640%0.39935%0.345SS..Hα-helixtrans-58.1-45.4176.4-72.60000112D47 F48 R53 D54 D55D47-C51 PolarHBondContact O-N 3.48Å; D47-C51 PolarHBondContact O-SG 3.32Å; F48-C51 PolarHBondContact O-N 3.34Å; C51-R53 PolarHBondContact O-N 3.19Å; C51-D54 PolarHBondContact O-N 2.93Å; C51-D55 WeakPolarHBondContact O-CB 3.18Å; C51-D55 PolarHBondContact O-N 3.35Å
52V92.6Very high90.2Very high0 Ų063.4 Ų63.40%034%0.344CS..Hα-helixtrans-61.6-43.2175.9171.70000111.1V20 L22 F36 F48 R50 D54 D55 I56 M74 F119V20-V52 HydrophobicContact CG1-CG1 4.18Å; V20-V52 HydrophobicContact CG2-CG2 4.2Å; L22-V52 HydrophobicContact CD2-CG1 4.4Å; F36-V52 HydrophobicContact CD1-CG2 4.4Å; F36-V52 HydrophobicContact CD2-CG2 4.35Å; F36-V52 HydrophobicContact CE1-CG2 4Å; F36-V52 HydrophobicContact CE2-CG1 4.12Å; F36-V52 HydrophobicContact CE2-CG2 3.95Å; F36-V52 HydrophobicContact CZ-CB 4.1Å; F36-V52 HydrophobicContact CZ-CG1 3.87Å; F36-V52 HydrophobicContact CZ-CG2 3.77Å; F48-V52 HydrophobicContact CD1-CG2 4.3Å; F48-V52 HydrophobicContact CD2-CG2 4.3Å; F48-V52 HydrophobicContact CE1-CG2 3.95Å; F48-V52 HydrophobicContact CE2-CG2 3.94Å; F48-V52 HydrophobicContact CG-CG2 4.47Å; F48-V52 HydrophobicContact CZ-CG2 3.76Å; F48-V52 VanDerWaalsContact O-CG2 3.3Å; F48-V52 WeakPolarHBondContact O-CG2 3.49Å; F48-V52 PolarHBondContact O-N 3.16Å; R50-V52 VanDerWaalsContact C-N 3.35Å; R50-V52 PolarHBondContact O-N 3.04Å; V52-D54 PolarHBondContact O-N 2.92Å; V52-D55 PolarHBondContact O-N 2.77Å; V52-I56 HydrophobicContact CG1-CG2 4.24Å; V52-I56 WeakPolarHBondContact O-CG1 3.46Å; V52-I56 VanDerWaalsContact O-CG2 3.28Å; V52-I56 WeakPolarHBondContact O-CG2 3.46Å; V52-I56 PolarHBondContact O-N 3.18Å; V52-M74 HydrophobicContact CB-CE 4.06Å; V52-M74 HydrophobicContact CG1-CE 4.23Å; V52-M74 HydrophobicContact CG2-CE 3.85Å; V52-F119 HydrophobicContact CB-CE1 4.4Å; V52-F119 HydrophobicContact CG1-CD1 3.75Å; V52-F119 HydrophobicContact CG1-CE1 3.8Å
53R91.3Very high89.9Confident121 Ų12161.3 Ų61.346%0.45734%0.336SS..Hα-helixtrans-63-39.6178-78.8-175.8-64.11701.4113.1M49 R50 C51 I56 A57 F119M49-R53 WeakPolarHBondContact O-CB 3.22Å; M49-R53 VanDerWaalsContact O-CG 3.29Å; M49-R53 WeakPolarHBondContact O-CG 3.44Å; M49-R53 PolarHBondContact O-N 2.89Å; M49-R53 PolarHBondContact O-NE 3.43Å; R50-R53 PolarHBondContact O-N 2.85Å; C51-R53 PolarHBondContact O-N 3.19Å; R53-I56 VanDerWaalsContact O-CG1 3.26Å; R53-I56 WeakPolarHBondContact O-CG1 3.48Å; R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 3.47Å; R53-F119 HydrophobicContact CG-CE1 3.78Å; R53-F119 HydrophobicContact CG-CZ 3.81Å
54D91.1Very high89.4Confident120 Ų12063.5 Ų63.564%0.64235%0.353SS*.Hα-helixtrans-68.4-46.3177.2-162.1-101.7000111.1R50 C51 V52 I56 A57 A58R50-D54 PolarHBondContact O-N 3.01Å; C51-D54 PolarHBondContact O-N 2.93Å; V52-D54 PolarHBondContact O-N 2.92Å; D54-I56 PolarHBondContact O-N 3.07Å; D54-A57 PolarHBondContact O-N 3.22Å; D54-A58 PolarHBondContact O-N 3.23Å; D54-A58 VanDerWaalsContact O-N 3.07Å
55D91Very high88.9Confident56 Ų5664.1 Ų64.130%0.29936%0.358SS..Hα-helixtrans-57.3-52.6175.8-175.8-99.6000111.1F36 C51 V52 A57 A58 R59F36-D55 HydrophobicContact CE1-CB 3.74Å; F36-D55 HydrophobicContact CZ-CB 4.16Å; C51-D55 WeakPolarHBondContact O-CB 3.18Å; C51-D55 PolarHBondContact O-N 3.35Å; V52-D55 PolarHBondContact O-N 2.77Å; D55-A57 PolarHBondContact O-N 3.21Å; D55-A58 PolarHBondContact O-N 3.19Å; D55-R59 WeakPolarHBondContact O-CA 3.3Å; D55-R59 WeakPolarHBondContact O-CB 3.45Å; D55-R59 PolarHBondContact O-N 3.47Å; D55-R59 VanDerWaalsContact OD1-CD 3.31Å; D55-R59 WeakPolarHBondContact OD1-CD 3.46Å; D55-R59 IonicContact OD1-NH1 3.23Å; D55-R59 PolarHBondContact OD1-NH1 3.22Å
56I90.1Very high88.4Confident3 Ų364.8 Ų64.82%0.01536%0.361CS..Hα-helixtrans-64.8-28.3-177.967.8-178.2000112.6L22 V52 R53 D54 L62 R67 Y71L22-I56 HydrophobicContact CD1-CB 4.39Å; L22-I56 HydrophobicContact CD1-CG2 3.67Å; L22-I56 HydrophobicContact CD2-CD1 4.37Å; L22-I56 HydrophobicContact CD2-CG2 4Å; L22-I56 HydrophobicContact CG-CG2 4.43Å; V52-I56 HydrophobicContact CG1-CG2 4.24Å; V52-I56 WeakPolarHBondContact O-CG1 3.46Å; V52-I56 VanDerWaalsContact O-CG2 3.28Å; V52-I56 WeakPolarHBondContact O-CG2 3.46Å; V52-I56 PolarHBondContact O-N 3.18Å; R53-I56 VanDerWaalsContact O-CG1 3.26Å; R53-I56 WeakPolarHBondContact O-CG1 3.48Å; D54-I56 PolarHBondContact O-N 3.07Å; I56-L62 HydrophobicContact CB-CD1 3.99Å; I56-L62 HydrophobicContact CG2-CD1 4Å; I56-R67 VanDerWaalsContact O-CD 3.28Å; I56-R67 WeakPolarHBondContact O-CD 3.28Å; I56-R67 WeakPolarHBondContact O-CG 3.33Å; I56-Y71 HydrophobicContact CD1-CD2 3.61Å; I56-Y71 HydrophobicContact CD1-CE2 3.54Å
57A87.9Confident87.9Confident54 Ų5463.6 Ų63.645%0.44635%0.352SS..Hα-helixtrans-70.6-42.917700000111R53 D54 D55R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 3.47Å; D54-A57 PolarHBondContact O-N 3.22Å; D55-A57 PolarHBondContact O-N 3.21Å
58A87.6Confident87.3Confident74 Ų7470.2 Ų70.261%0.61238%0.379SS*.Hα-helixtrans-82.1-25.9-179.400000113.9D54 D55 E60D54-A58 PolarHBondContact O-N 3.23Å; D54-A58 VanDerWaalsContact O-N 3.07Å; D55-A58 PolarHBondContact O-N 3.19Å; A58-E60 PolarHBondContact O-N 2.92Å
59R86.2Confident86.9Confident93 Ų9371.8 Ų71.835%0.35139%0.385SS..  trans-68.5116-167.9179.4163.1-172.2157.11.3113.6V34 D55 L62 R67V34-R59 VanDerWaalsContact CG1-CZ 3.48Å; D55-R59 WeakPolarHBondContact O-CA 3.3Å; D55-R59 WeakPolarHBondContact O-CB 3.45Å; D55-R59 PolarHBondContact O-N 3.47Å; D55-R59 VanDerWaalsContact OD1-CD 3.31Å; D55-R59 WeakPolarHBondContact OD1-CD 3.46Å; D55-R59 IonicContact OD1-NH1 3.23Å; D55-R59 PolarHBondContact OD1-NH1 3.22Å; R59-L62 HydrophobicContact CB-CD1 4.03Å; R59-L62 HydrophobicContact CG-CD1 3.96Å; R59-R67 PolarHBondContact O-NE 3.27Å; R59-R67 PolarHBondContact O-NH1 3.48Å; R59-R67 PolarHBondContact O-NH2 2.89Å; R59-R67 VanDerWaalsContact O-NH2 3.08Å
60E81Confident86.6Confident179 Ų17973.1 Ų73.184%0.83640%0.403SS*.THydrogen-bonded Turntrans-65.6140.3173.2-59.6-162.890.800110.9A58A58-E60 PolarHBondContact O-N 2.92Å
61G81.4Confident86.5Confident76 Ų7667.2 Ų67.278%0.78438%0.381SS*.THydrogen-bonded Turntrans91.1-11.2-176.400000116.2
62L84.2Confident86.5Confident9 Ų967.4 Ų67.45%0.04738%0.378CS..SBendtrans-80.6136.7167.6-90.8160.7000110.8L22 K32 V34 I56 R59 F66 R67L22-L62 HydrophobicContact CD1-CD1 4.26Å; L22-L62 HydrophobicContact CD1-CD2 3.86Å; K32-L62 HydrophobicContact CG-CD2 3.93Å; V34-L62 HydrophobicContact CG2-CD1 4.42Å; V34-L62 HydrophobicContact CG2-CD2 4.43Å; I56-L62 HydrophobicContact CB-CD1 3.99Å; I56-L62 HydrophobicContact CG2-CD1 4Å; R59-L62 HydrophobicContact CB-CD1 4.03Å; R59-L62 HydrophobicContact CG-CD1 3.96Å; L62-F66 HydrophobicContact CD2-CB 4.05Å; L62-R67 HydrophobicContact CB-CG 3.99Å; L62-R67 PolarHBondContact O-NE 3.24Å; L62-R67 PolarHBondContact O-NH2 2.89Å
63P83.3Confident86.5Confident50 Ų5068 Ų6833%0.32538%0.382SS..  trans-66.5144.6177.8-15.528.5000111.1P65 F66 R67P63-P65 VanDerWaalsContact C-N 3.29Å; P63-P65 HydrophobicContact CB-CG 3.93Å; P63-P65 VanDerWaalsContact O-N 3.12Å; P63-F66 HydrophobicContact CB-CD2 3.97Å; P63-F66 HydrophobicContact CG-CD2 3.7Å; P63-F66 HydrophobicContact CG-CE2 4.13Å; P63-F66 PolarHBondContact O-N 3.06Å; P63-R67 PolarHBondContact O-N 2.94Å
64P81.8Confident86.6Confident87 Ų8762.3 Ų62.357%0.56536%0.36SS*.Hα-helixtrans-45.9-39.8174.7-26.433.3000115.9F66 R67 K68P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 2.7Å; P64-R67 PolarHBondContact O-N 3.48Å; P64-R67 VanDerWaalsContact O-N 3.16Å; P64-K68 PolarHBondContact O-N 2.98Å
65P83.6Confident86.6Confident64 Ų6456.6 Ų56.642%0.41633%0.33SS..Hα-helixtrans-65.6-25.5177.724.5-36.1000113.9P63 Y69P63-P65 VanDerWaalsContact C-N 3.29Å; P63-P65 HydrophobicContact CB-CG 3.93Å; P63-P65 VanDerWaalsContact O-N 3.12Å; P65-Y69 WeakPolarHBondContact O-CB 3.33Å
66F82.8Confident86.5Confident13 Ų1354.2 Ų54.26%0.05732%0.317CS..Hα-helixtrans-82.6-26.1173.8-73-90.1000112.1L22 R24 N30 K32 L62 P63 P64 Y71L22-F66 HydrophobicContact CB-CD1 3.93Å; L22-F66 HydrophobicContact CB-CE1 4.46Å; L22-F66 WeakPolarHBondContact O-CE1 3.29Å; R24-F66 HydrophobicContact CB-CD1 4.24Å; R24-F66 HydrophobicContact CB-CE1 3.89Å; R24-F66 HydrophobicContact CB-CZ 4.37Å; N30-F66 WeakPolarHBondContact OD1-CZ 3.26Å; K32-F66 HydrophobicContact CB-CD1 3.96Å; K32-F66 HydrophobicContact CB-CE1 3.68Å; K32-F66 HydrophobicContact CB-CG 4.5Å; K32-F66 HydrophobicContact CB-CZ 3.98Å; L62-F66 HydrophobicContact CD2-CB 4.05Å; P63-F66 HydrophobicContact CB-CD2 3.97Å; P63-F66 HydrophobicContact CG-CD2 3.7Å; P63-F66 HydrophobicContact CG-CE2 4.13Å; P63-F66 PolarHBondContact O-N 3.06Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 2.7Å; F66-Y71 WeakPolarHBondContact CD1-OH 3.34Å; F66-Y71 WeakPolarHBondContact O-CE2 3.5Å; F66-Y71 PolarHBondContact O-OH 2.89Å
67R83.9Confident86.4Confident79 Ų7955 Ų5530%0.29832%0.321SS..Hα-helixtrans-80.7-35.4179.7-50.9-163.8-161.5179.43.2113.2I56 R59 L62 P63 P64I56-R67 VanDerWaalsContact O-CD 3.28Å; I56-R67 WeakPolarHBondContact O-CD 3.28Å; I56-R67 WeakPolarHBondContact O-CG 3.33Å; R59-R67 PolarHBondContact O-NE 3.27Å; R59-R67 PolarHBondContact O-NH1 3.48Å; R59-R67 PolarHBondContact O-NH2 2.89Å; R59-R67 VanDerWaalsContact O-NH2 3.08Å; L62-R67 HydrophobicContact CB-CG 3.99Å; L62-R67 PolarHBondContact O-NE 3.24Å; L62-R67 PolarHBondContact O-NH2 2.89Å; P63-R67 PolarHBondContact O-N 2.94Å; P64-R67 PolarHBondContact O-N 3.48Å; P64-R67 VanDerWaalsContact O-N 3.16Å
68K81.2Confident86.1Confident187 Ų18754 Ų5481%0.81331%0.307SS*.SBendtrans-91.34.5-176-65.7-173.3175.8-173.40113.9P64P64-K68 PolarHBondContact O-N 2.98Å
69Y85.4Confident85.7Confident38 Ų3854.5 Ų54.515%0.14930%0.297CS..SBendtrans-84.1138.8-176.4-173.7-99.4000110.9R24 P65 Y71 R121 D124R24-Y69 HydrophobicContact CG-CD2 4.18Å; R24-Y69 HydrophobicContact CG-CE2 4.39Å; P65-Y69 WeakPolarHBondContact O-CB 3.33Å; Y69-Y71 VanDerWaalsContact C-N 3.29Å; Y69-Y71 AromaticContact CD1-CD1 3.47Å; Y69-Y71 HydrophobicContact CD1-CD1 3.47Å; Y69-Y71 VanDerWaalsContact CD1-CD1 3.47Å; Y69-Y71 AromaticContact CD1-CD2 3.96Å; Y69-Y71 HydrophobicContact CD1-CD2 3.96Å; Y69-Y71 AromaticContact CD1-CE1 3.3Å; Y69-Y71 HydrophobicContact CD1-CE1 3.3Å; Y69-Y71 AromaticContact CD1-CE2 3.79Å; Y69-Y71 HydrophobicContact CD1-CE2 3.79Å; Y69-Y71 AromaticContact CD1-CG 3.79Å; Y69-Y71 HydrophobicContact CD1-CG 3.79Å; Y69-Y71 AromaticContact CD1-CZ 3.45Å; Y69-Y71 VanDerWaalsContact CD1-CZ 3.45Å; Y69-Y71 AromaticContact CE1-CD1 3.78Å; Y69-Y71 HydrophobicContact CE1-CD1 3.78Å; Y69-Y71 AromaticContact CE1-CE1 3.76Å; Y69-Y71 HydrophobicContact CE1-CE1 3.76Å; Y69-Y71 HydrophobicContact CE1-CG 4.39Å; Y69-Y71 HydrophobicContact CG-CE1 4.3Å; Y69-Y71 HydrophobicContact CG-CE2 4.28Å; Y69-Y71 WeakPolarHBondContact O-CD2 3.46Å; Y69-Y71 PolarHBondContact O-N 3.5Å; Y69-R121 HydrophobicContact CE1-CB 3.83Å; Y69-R121 WeakPolarHBondContact OH-CB 3.34Å; Y69-D124 PolarHBondContact OH-OD2 3.06Å
70G86.8Confident84.8Confident46 Ų4652 Ų5247%0.47430%0.296SS..  trans-81.770.3-17600000111.9R121G70-R121 WeakPolarHBondContact O-CB 3.32Å; G70-R121 WeakPolarHBondContact O-CG 3.49Å
71Y90.3Very high83.7Confident3 Ų352.8 Ų52.81%0.01230%0.299CS..  trans-69.7131.7173-51.7-86.5000110.4L22 I56 F66 Y69 F119L22-Y71 HydrophobicContact CB-CE1 4.03Å; L22-Y71 HydrophobicContact CD2-CE1 4.37Å; L22-Y71 HydrophobicContact CD2-CE2 4.47Å; I56-Y71 HydrophobicContact CD1-CD2 3.61Å; I56-Y71 HydrophobicContact CD1-CE2 3.54Å; F66-Y71 WeakPolarHBondContact CD1-OH 3.34Å; F66-Y71 WeakPolarHBondContact O-CE2 3.5Å; F66-Y71 PolarHBondContact O-OH 2.89Å; Y69-Y71 VanDerWaalsContact C-N 3.29Å; Y69-Y71 AromaticContact CD1-CD1 3.47Å; Y69-Y71 HydrophobicContact CD1-CD1 3.47Å; Y69-Y71 VanDerWaalsContact CD1-CD1 3.47Å; Y69-Y71 AromaticContact CD1-CD2 3.96Å; Y69-Y71 HydrophobicContact CD1-CD2 3.96Å; Y69-Y71 AromaticContact CD1-CE1 3.3Å; Y69-Y71 HydrophobicContact CD1-CE1 3.3Å; Y69-Y71 AromaticContact CD1-CE2 3.79Å; Y69-Y71 HydrophobicContact CD1-CE2 3.79Å; Y69-Y71 AromaticContact CD1-CG 3.79Å; Y69-Y71 HydrophobicContact CD1-CG 3.79Å; Y69-Y71 AromaticContact CD1-CZ 3.45Å; Y69-Y71 VanDerWaalsContact CD1-CZ 3.45Å; Y69-Y71 AromaticContact CE1-CD1 3.78Å; Y69-Y71 HydrophobicContact CE1-CD1 3.78Å; Y69-Y71 AromaticContact CE1-CE1 3.76Å; Y69-Y71 HydrophobicContact CE1-CE1 3.76Å; Y69-Y71 HydrophobicContact CE1-CG 4.39Å; Y69-Y71 HydrophobicContact CG-CE1 4.3Å; Y69-Y71 HydrophobicContact CG-CE2 4.28Å; Y69-Y71 WeakPolarHBondContact O-CD2 3.46Å; Y69-Y71 PolarHBondContact O-N 3.5Å; Y71-F119 VanDerWaalsContact CB-CD1 3.42Å; Y71-F119 HydrophobicContact CD1-CB 4.39Å; Y71-F119 AromaticContact CD1-CD1 3.93Å; Y71-F119 HydrophobicContact CD1-CD1 3.93Å; Y71-F119 HydrophobicContact CD1-CE1 4.49Å; Y71-F119 HydrophobicContact CD1-CG 4.07Å; Y71-F119 WeakPolarHBondContact CD1-O 3.47Å; Y71-F119 HydrophobicContact CD2-CD1 4.12Å; Y71-F119 HydrophobicContact CD2-CE1 4.05Å; Y71-F119 WeakPolarHBondContact CE1-O 3.02Å; Y71-F119 AromaticContact CG-CD1 3.57Å; Y71-F119 HydrophobicContact CG-CD1 3.57Å; Y71-F119 AromaticContact CG-CE1 3.69Å; Y71-F119 HydrophobicContact CG-CE1 3.69Å; Y71-F119 HydrophobicContact CG-CG 4.05Å; Y71-F119 HydrophobicContact CG-CZ 4.24Å
72D92.6Very high82.6Confident63 Ų6350.9 Ų50.934%0.33728%0.28SS..  trans-135.4-18.1-177.169.5-101.2000113.3M49 F120 R121 K122M49-D72 VanDerWaalsContact SD-O 3.37Å; D72-F120 PolarHBondContact N-O 2.83Å; D72-R121 WeakPolarHBondContact OD1-CA 3.41Å; D72-R121 VanDerWaalsContact OD1-CG 3.3Å; D72-R121 WeakPolarHBondContact OD1-CG 3.46Å; D72-K122 PolarHBondContact OD1-N 2.77Å; D72-K122 WeakPolarHBondContact OD2-CB 3.24Å; D72-K122 PolarHBondContact OD2-N 2.84Å
73T92.5Very high81Confident14 Ų1456 Ų569%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-131.4135.8-173.7-68.10000111.4I99 F119 F120 K122T73-I99 HydrophobicContact CG2-CG2 3.76Å; T73-F119 WeakPolarHBondContact O-CD2 3.33Å; T73-F120 HydrophobicContact CG2-CE1 4.13Å; T73-F120 HydrophobicContact CG2-CE2 3.76Å; T73-F120 HydrophobicContact CG2-CZ 3.51Å; T73-F120 PolarHBondContact N-O 2.79Å; T73-F120 PolarHBondContact O-N 2.84Å; T73-K122 WeakPolarHBondContact OG1-CB 3.12Å
74M93.4Very high79.5Confident0 Ų061.1 Ų61.10%033%0.333CS..EExtended strand (participates in β ladder)trans-108.2144.6170.9-72.1-175.5174.900111.3V20 F48 M49 V52 L100 V117 G118 F119V20-M74 HydrophobicContact CG1-CE 4.39Å; F48-M74 HydrophobicContact CD1-CE 3.78Å; F48-M74 HydrophobicContact CD1-SD 3.6Å; F48-M74 VanDerWaalsContact CD1-SD 3.6Å; F48-M74 HydrophobicContact CE1-CE 3.81Å; F48-M74 HydrophobicContact CE1-SD 3.81Å; M49-M74 HydrophobicContact CB-CE 4.33Å; M49-M74 HydrophobicContact CG-CE 3.67Å; M49-M74 HydrophobicContact CG-CG 3.82Å; M49-M74 HydrophobicContact CG-SD 3.61Å; M49-M74 HydrophobicContact SD-CG 4.1Å; V52-M74 HydrophobicContact CB-CE 4.06Å; V52-M74 HydrophobicContact CG1-CE 4.23Å; V52-M74 HydrophobicContact CG2-CE 3.85Å; M74-L100 HydrophobicContact CB-CB 4.4Å; M74-L100 HydrophobicContact CB-CD1 4.13Å; M74-L100 HydrophobicContact CB-CD2 4.14Å; M74-L100 HydrophobicContact CB-CG 4.46Å; M74-L100 WeakPolarHBondContact O-CD1 3.17Å; M74-L100 PolarHBondContact O-N 2.84Å; M74-V117 HydrophobicContact SD-CG2 4.44Å; M74-G118 CarbonylContact C-O 3.5Å; M74-G118 VanDerWaalsContact CA-O 3.24Å; M74-G118 WeakPolarHBondContact CA-O 3.35Å; M74-F119 HydrophobicContact CB-CD2 4.49Å; M74-F119 HydrophobicContact CE-CB 4.27Å; M74-F119 HydrophobicContact CE-CD1 4.11Å; M74-F119 HydrophobicContact CE-CD2 3.73Å; M74-F119 HydrophobicContact CE-CE1 4.3Å; M74-F119 HydrophobicContact CE-CE2 3.97Å; M74-F119 HydrophobicContact CE-CG 3.81Å; M74-F119 HydrophobicContact CE-CZ 4.24Å; M74-F119 HydrophobicContact CG-CB 4.18Å; M74-F119 HydrophobicContact CG-CD2 3.32Å; M74-F119 HydrophobicContact CG-CE2 3.92Å; M74-F119 HydrophobicContact CG-CG 4.03Å; M74-F119 HydrophobicContact SD-CD2 4.38Å
75K91.3Very high78.1Confident1 Ų160 Ų600%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-139.1138.2171.3177.5-175-177.2178.40110.9I77 M90 S91 D93 D95 L98 I99 V117 G118 F120K75-I77 PolarHBondContact O-N 2.94Å; K75-M90 HydrophobicContact CB-CE 3.5Å; K75-M90 HydrophobicContact CB-SD 4.11Å; K75-M90 HydrophobicContact CD-CE 3.97Å; K75-M90 HydrophobicContact CD-CG 4.05Å; K75-M90 HydrophobicContact CD-SD 3.71Å; K75-M90 HydrophobicContact CG-CE 3.95Å; K75-M90 HydrophobicContact CG-SD 4.33Å; K75-S91 PolarHBondContact NZ-O 2.75Å; K75-D93 PolarHBondContact NZ-O 3.22Å; K75-D95 WeakPolarHBondContact CE-OD1 3.38Å; K75-D95 IonicContact NZ-OD1 3.22Å; K75-D95 PolarHBondContact NZ-OD1 2.77Å; K75-L98 CarbonylContact C-O 3.57Å; K75-L98 WeakPolarHBondContact CA-O 3.45Å; K75-L98 HydrophobicContact CD-CB 4.26Å; K75-L98 HydrophobicContact CG-CB 3.69Å; K75-L98 WeakPolarHBondContact CG-O 3.3Å; K75-I99 HydrophobicContact CB-CG1 4.05Å; K75-I99 HydrophobicContact CD-CG1 4Å; K75-I99 HydrophobicContact CG-CG1 3.99Å; K75-V117 CarbonylContact O-C 3.52Å; K75-V117 WeakPolarHBondContact O-CA 3.42Å; K75-G118 PolarHBondContact N-O 3.02Å; K75-G118 PolarHBondContact O-N 2.93Å; K75-F120 HydrophobicContact CB-CE1 3.66Å; K75-F120 HydrophobicContact CB-CZ 4.1Å
76I90.3Very high76.8Confident6 Ų664.8 Ų64.83%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-65.4125.8174.1-59.3-174.8000109.4Q79 L98 L100 A109 G110 V111 T115 V117I76-Q79 HydrophobicContact CG2-CG 3.87Å; I76-L98 HydrophobicContact CB-CD2 4.03Å; I76-L98 HydrophobicContact CG2-CD2 4.3Å; I76-L98 PolarHBondContact N-O 3.08Å; I76-L100 HydrophobicContact CG1-CD1 3.7Å; I76-A109 WeakPolarHBondContact CD1-O 3.18Å; I76-G110 WeakPolarHBondContact CD1-O 3.31Å; I76-V111 HydrophobicContact CD1-CG2 4.18Å; I76-V111 HydrophobicContact CG1-CG2 4.44Å; I76-T115 HydrophobicContact CG2-CG2 4.06Å; I76-V117 HydrophobicContact CG1-CG1 4.24Å
77I86.3Confident75.6Confident20 Ų2068.9 Ų68.910%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-98.6-45175.6-62.7171.9000109.9R21 I23 K75 M90 E116 G118R21-I77 HydrophobicContact CB-CD1 4.14Å; R21-I77 HydrophobicContact CG-CD1 4.29Å; I23-I77 HydrophobicContact CD1-CD1 4.38Å; K75-I77 PolarHBondContact O-N 2.94Å; I77-M90 HydrophobicContact CD1-CE 3.97Å; I77-M90 HydrophobicContact CG1-CE 3.59Å; I77-E116 PolarHBondContact N-O 2.82Å; I77-G118 VanDerWaalsContact CD1-CA 3.48Å
78H83.3Confident74.5Confident32 Ų3270.2 Ų70.215%0.14838%0.379CS..EExtended strand (participates in β ladder)trans-150.3145-175.1-176.662.6000110.9G82 K84 T115 E116H78-G82 PolarHBondContact CE1-O 3.45Å; H78-G82 VanDerWaalsContact CE1-O 3.25Å; H78-K84 VanDerWaalsContact CE1-CA 3.47Å; H78-K84 WeakPolarHBondContact CE1-CA 3.2Å; H78-T115 WeakPolarHBondContact O-CG2 3.43Å; H78-E116 HydrophobicContact CB-CB 4.09Å; H78-E116 HydrophobicContact CB-CG 4.28Å; H78-E116 IonicContact CD2-OE2 2.94Å; H78-E116 PolarHBondContact N-O 2.86Å; H78-E116 VanDerWaalsContact N-O 3.13Å; H78-E116 PolarHBondContact O-N 2.84Å
79Q79.3Confident73.6Confident85 Ų8561.9 Ų61.940%0.39734%0.344SS..  trans-118.2144.3174.3-67.9173.6-40.900108.3I76 H81 G82 G110 T115I76-Q79 HydrophobicContact CG2-CG 3.87Å; Q79-H81 PolarHBondContact O-N 2.89Å; Q79-G82 PolarHBondContact O-N 3.17Å; Q79-G110 PolarHBondContact NE2-O 3.16Å; Q79-T115 HydrophobicContact CG-CG2 4.39Å
80A66Low73.1Confident41 Ų4160.4 Ų60.434%0.33934%0.338SS..THydrogen-bonded Turntrans-58.6-9.2-172.900000115.9E114A80-E114 HydrophobicContact CB-CB 3.74Å
81H58Low72.4Confident195 Ų19559.2 Ų59.290%0.90332%0.322SS*.THydrogen-bonded Turntrans-125.35.8175.5-61.5-72.1000114Q79Q79-H81 PolarHBondContact O-N 2.89Å
82G57.8Low71.6Confident36 Ų3661.4 Ų61.437%0.37133%0.334SS..SBendtrans-87.9160.3174.700000111.8H78 Q79 K84H78-G82 PolarHBondContact CE1-O 3.45Å; H78-G82 VanDerWaalsContact CE1-O 3.25Å; Q79-G82 PolarHBondContact O-N 3.17Å; G82-K84 PolarHBondContact O-N 2.99Å
83S50.7Low70.7Confident117 Ų11763.8 Ų63.882%0.81835%0.347SS*.  trans-61.8127.9168.3-64.30000109.5T85S83-T85 PolarHBondContact O-N 2.94Å
84K52.7Low69.9Low156 Ų15667.3 Ų67.368%0.67837%0.365SS*.  trans-66107.9174.5-158.9171.2-171.6171.60108.2H78 G82H78-K84 VanDerWaalsContact CE1-CA 3.47Å; H78-K84 WeakPolarHBondContact CE1-CA 3.2Å; G82-K84 PolarHBondContact O-N 2.99Å
85T53.1Low69.4Low64 Ų6468.3 Ų68.339%0.39337%0.37SS..  trans-67.4134.7175.548.60000108.9S83 E87S83-T85 PolarHBondContact O-N 2.94Å; T85-E87 PolarHBondContact O-N 2.89Å
86N54.6Low68.7Low164 Ų16477.2 Ų77.288%0.87741%0.412SS*.  trans-67.44.8175.9-94.3-42.7000113.8L88N86-L88 PolarHBondContact O-N 2.75Å
87E59.2Low68.2Low100 Ų10084.2 Ų84.247%0.46744%0.443SS..  trans-72.2110-179.5-68-66.3100.700110.4T85 V89 S91T85-E87 PolarHBondContact O-N 2.89Å; E87-V89 VanDerWaalsContact C-N 3.28Å; E87-V89 PolarHBondContact O-N 2.89Å; E87-S91 WeakPolarHBondContact CG-OG 3.37Å
88L61.1Low68.2Low106 Ų10685.6 Ų85.656%0.55545%0.45SS*.SBendtrans-66-26.8-172.3-78.9161.7000113.7F31 N86F31-L88 WeakPolarHBondContact CE1-O 3.48Å; N86-L88 PolarHBondContact O-N 2.75Å
89V62.2Low68.5Low12 Ų1285.5 Ų85.57%0.07345%0.45CS..SBendtrans-113.3-61.6-175.3166.90000111.5I23 F26 R29 F31 E87I23-V89 HydrophobicContact CD1-CG1 4.33Å; I23-V89 HydrophobicContact CG2-CG1 4.02Å; F26-V89 HydrophobicContact CD1-CG1 3.7Å; F26-V89 HydrophobicContact CE1-CG1 4.23Å; R29-V89 HydrophobicContact CB-CG2 3.29Å; R29-V89 HydrophobicContact CG-CG2 3.62Å; F31-V89 HydrophobicContact CD1-CG2 4.4Å; E87-V89 VanDerWaalsContact C-N 3.28Å; E87-V89 PolarHBondContact O-N 2.89Å
90M73Confident69.1Low8 Ų881.9 Ų81.94%0.03943%0.433CS..  trans-179.6135.7-175.5173.9166.9-8700108.2I23 F26 K75 I77 F120 Y125I23-M90 HydrophobicContact CD1-CB 4.05Å; I23-M90 HydrophobicContact CD1-CE 3.88Å; I23-M90 HydrophobicContact CD1-SD 4.12Å; F26-M90 HydrophobicContact CE1-CB 4.29Å; F26-M90 HydrophobicContact CE1-SD 4.01Å; K75-M90 HydrophobicContact CB-CE 3.5Å; K75-M90 HydrophobicContact CB-SD 4.11Å; K75-M90 HydrophobicContact CD-CE 3.97Å; K75-M90 HydrophobicContact CD-CG 4.05Å; K75-M90 HydrophobicContact CD-SD 3.71Å; K75-M90 HydrophobicContact CG-CE 3.95Å; K75-M90 HydrophobicContact CG-SD 4.33Å; I77-M90 HydrophobicContact CD1-CE 3.97Å; I77-M90 HydrophobicContact CG1-CE 3.59Å; M90-F120 HydrophobicContact CE-CD1 3.95Å; M90-F120 HydrophobicContact CE-CE1 3.66Å; M90-F120 HydrophobicContact SD-CD1 3.86Å; M90-F120 HydrophobicContact SD-CE1 3.5Å; M90-F120 WeakPolarHBondContact SD-CE1 3.5Å; M90-F120 HydrophobicContact SD-CZ 4.08Å; M90-Y125 HydrophobicContact SD-CD2 4.5Å; M90-Y125 HydrophobicContact SD-CE2 4.36Å
91S72.3Confident70.3Confident20 Ų2084.7 Ų84.714%0.1444%0.44CS..  trans-69.9149.8174.1-52.10000111.6K75 E87 D93K75-S91 PolarHBondContact NZ-O 2.75Å; E87-S91 WeakPolarHBondContact CG-OG 3.37Å; S91-D93 VanDerWaalsContact C-N 3.35Å
92L75.2Confident71.8Confident49 Ų4978.5 Ų78.526%0.25741%0.413SS..SBendtrans-87.5-6.4172.5-62.5-178.8000113.4Y125 Y128 K129 P132L92-Y125 HydrophobicContact CD2-CD2 4.5Å; L92-Y125 HydrophobicContact CD2-CE2 3.56Å; L92-Y125 WeakPolarHBondContact CD2-OH 3.15Å; L92-Y128 HydrophobicContact CD1-CE1 4.19Å; L92-Y128 HydrophobicContact CD2-CD1 3.96Å; L92-Y128 HydrophobicContact CD2-CE1 4.02Å; L92-Y128 HydrophobicContact CG-CE1 4.42Å; L92-K129 HydrophobicContact CD2-CB 4.41Å; L92-P132 HydrophobicContact CD1-CB 4.38Å
93D72.1Confident73.3Confident113 Ų11383.6 Ų83.660%0.60443%0.432SS*.SBendtrans-82.9160.4-177.8-59.6-88.2000113.3K75 S91 D95K75-D93 PolarHBondContact NZ-O 3.22Å; S91-D93 VanDerWaalsContact C-N 3.35Å; D93-D95 PolarHBondContact O-N 3.29Å; D93-D95 VanDerWaalsContact O-N 3.08Å
94D76.9Confident75.3Confident89 Ų8980.7 Ų80.748%0.47641%0.405SS..  trans4538.7175.7-79.4-94.9000115.1E96 K97 L98D94-E96 PolarHBondContact O-N 3.29Å; D94-K97 PolarHBondContact O-N 3.04Å; D94-K97 WeakPolarHBondContact OD1-CD 3.47Å; D94-K97 IonicContact OD1-NZ 3.6Å; D94-K97 PolarHBondContact OD1-NZ 3.05Å; D94-L98 HydrophobicContact CB-CD1 3.98Å; D94-L98 HydrophobicContact CB-CG 4.15Å; D94-L98 WeakPolarHBondContact O-CB 3.21Å; D94-L98 WeakPolarHBondContact O-CG 3.43Å; D94-L98 PolarHBondContact O-N 3.33Å
95D81.3Confident77.2Confident20 Ų2075.4 Ų75.411%0.10739%0.386CS..Hα-helixtrans-52.5-39.5177.1-77.9-28.4000113.3K75 D93 K97 L98 I99 Y125 K129K75-D95 WeakPolarHBondContact CE-OD1 3.38Å; K75-D95 IonicContact NZ-OD1 3.22Å; K75-D95 PolarHBondContact NZ-OD1 2.77Å; D93-D95 PolarHBondContact O-N 3.29Å; D93-D95 VanDerWaalsContact O-N 3.08Å; D95-K97 PolarHBondContact O-N 3.16Å; D95-L98 PolarHBondContact O-N 2.85Å; D95-I99 HydrophobicContact CB-CD1 3.68Å; D95-I99 HydrophobicContact CB-CG1 4.18Å; D95-I99 WeakPolarHBondContact O-CB 3.46Å; D95-I99 VanDerWaalsContact O-CG1 3.24Å; D95-I99 WeakPolarHBondContact O-CG1 3.34Å; D95-I99 PolarHBondContact O-N 2.64Å; D95-Y125 PolarHBondContact OD1-OH 3.27Å; D95-Y125 PolarHBondContact OD2-OH 3.24Å; D95-K129 IonicContact OD2-NZ 2.7Å; D95-K129 PolarHBondContact OD2-NZ 2.96Å
96E78.2Confident79Confident189 Ų18972.4 Ų72.488%0.88337%0.368SS*.Hα-helixtrans-62.8-27.2-177.9-61-176.895.100112.9D94D94-E96 PolarHBondContact O-N 3.29Å
97K78.9Confident80.7Confident153 Ų15371.8 Ų71.867%0.66535%0.353SS*.Hα-helixtrans-100.7-34.1-180-64.5179.9-164.81430112.7D94 D95D94-K97 PolarHBondContact O-N 3.04Å; D94-K97 WeakPolarHBondContact OD1-CD 3.47Å; D94-K97 IonicContact OD1-NZ 3.6Å; D94-K97 PolarHBondContact OD1-NZ 3.05Å; D95-K97 PolarHBondContact O-N 3.16Å
98L86Confident82.1Confident48 Ų4870.2 Ų70.225%0.25136%0.357SS..Hα-helixtrans-92.5-23.7-171.8-63.7175.5000112.3K75 I76 D94 D95 L100K75-L98 CarbonylContact C-O 3.57Å; K75-L98 WeakPolarHBondContact CA-O 3.45Å; K75-L98 HydrophobicContact CD-CB 4.26Å; K75-L98 HydrophobicContact CG-CB 3.69Å; K75-L98 WeakPolarHBondContact CG-O 3.3Å; I76-L98 HydrophobicContact CB-CD2 4.03Å; I76-L98 HydrophobicContact CG2-CD2 4.3Å; I76-L98 PolarHBondContact N-O 3.08Å; D94-L98 HydrophobicContact CB-CD1 3.98Å; D94-L98 HydrophobicContact CB-CG 4.15Å; D94-L98 WeakPolarHBondContact O-CB 3.21Å; D94-L98 WeakPolarHBondContact O-CG 3.43Å; D94-L98 PolarHBondContact O-N 3.33Å; D95-L98 PolarHBondContact O-N 2.85Å; L98-L100 WeakPolarHBondContact O-CD1 3.2Å; L98-L100 PolarHBondContact O-N 3.43Å
99I89.9Confident83.5Confident30 Ų3065.7 Ų65.715%0.15434%0.335CS..BIsolated β-bridgetrans-76.3122.2174.3-64.4177.2000108.6T73 K75 D95T73-I99 HydrophobicContact CG2-CG2 3.76Å; K75-I99 HydrophobicContact CB-CG1 4.05Å; K75-I99 HydrophobicContact CD-CG1 4Å; K75-I99 HydrophobicContact CG-CG1 3.99Å; D95-I99 HydrophobicContact CB-CD1 3.68Å; D95-I99 HydrophobicContact CB-CG1 4.18Å; D95-I99 WeakPolarHBondContact O-CB 3.46Å; D95-I99 VanDerWaalsContact O-CG1 3.24Å; D95-I99 WeakPolarHBondContact O-CG1 3.34Å; D95-I99 PolarHBondContact O-N 2.64Å
100L91.3Very high84.7Confident10 Ų1066.5 Ų66.55%0.05235%0.346CS..PPolyproline II helixtrans-75.1127.5-178.5-68.369.2000109V45 M74 I76 L98 L106 A109 V111V45-L100 HydrophobicContact CB-CB 4.33Å; V45-L100 HydrophobicContact CG1-CB 3.52Å; V45-L100 HydrophobicContact CG1-CD2 3.92Å; V45-L100 HydrophobicContact CG1-CG 4.37Å; V45-L100 HydrophobicContact CG2-CB 3.86Å; V45-L100 HydrophobicContact CG2-CD2 3.95Å; V45-L100 HydrophobicContact CG2-CG 4.34Å; M74-L100 HydrophobicContact CB-CB 4.4Å; M74-L100 HydrophobicContact CB-CD1 4.13Å; M74-L100 HydrophobicContact CB-CD2 4.14Å; M74-L100 HydrophobicContact CB-CG 4.46Å; M74-L100 WeakPolarHBondContact O-CD1 3.17Å; M74-L100 PolarHBondContact O-N 2.84Å; I76-L100 HydrophobicContact CG1-CD1 3.7Å; L98-L100 WeakPolarHBondContact O-CD1 3.2Å; L98-L100 PolarHBondContact O-N 3.43Å; L100-L106 HydrophobicContact CD2-CD2 4.02Å; L100-A109 HydrophobicContact CB-CB 4.21Å; L100-A109 HydrophobicContact CD2-CB 4.24Å; L100-A109 HydrophobicContact CG-CB 3.79Å; L100-V111 HydrophobicContact CD2-CG2 3.72Å; L100-V111 HydrophobicContact CG-CG2 4.47Å
101Q91.6Very high85.5Confident100 Ų10066.3 Ų66.347%0.46735%0.345SS..PPolyproline II helixtrans-78.5149171-50.8-62.3-49.500110.1V45 Q104V45-Q101 WeakPolarHBondContact CB-O 3.32Å; V45-Q101 WeakPolarHBondContact CG2-O 3.24Å; Q101-Q104 HydrophobicContact CB-CG 4.03Å; Q101-Q104 VanDerWaalsContact N-OE1 3.15Å; Q101-Q104 VanDerWaalsContact O-CG 3.27Å; Q101-Q104 WeakPolarHBondContact O-CG 3.5Å
102D89.7Confident86.3Confident65 Ų6567.6 Ų67.635%0.34836%0.357SS..THydrogen-bonded Turntrans-71.6-33.2-175.257.9-77000113.5Q46 M49 Q104Q46-D102 HydrophobicContact CB-CB 4.03Å; Q46-D102 HydrophobicContact CG-CB 4.38Å; Q46-D102 PolarHBondContact N-O 2.92Å; M49-D102 HydrophobicContact CE-CB 4.21Å; D102-Q104 VanDerWaalsContact C-N 3.35Å; D102-Q104 PolarHBondContact O-N 2.96Å
103D89.9Confident86.9Confident143 Ų14368.8 Ų68.877%0.76536%0.364SS*.THydrogen-bonded Turntrans-76.1-14.7-178.2-68-71.6000114.8
104Q92Very high87.7Confident55 Ų5569 Ų6926%0.25736%0.362SS..SBendtrans-93.9161.9-178.965-174.4113.600112.2T44 V45 Q101 D102 A108 A109T44-Q104 WeakPolarHBondContact CA-O 3.47Å; V45-Q104 HydrophobicContact CG2-CG 4.12Å; V45-Q104 WeakPolarHBondContact CG2-O 3.22Å; V45-Q104 PolarHBondContact N-O 3.39Å; Q101-Q104 HydrophobicContact CB-CG 4.03Å; Q101-Q104 VanDerWaalsContact N-OE1 3.15Å; Q101-Q104 VanDerWaalsContact O-CG 3.27Å; Q101-Q104 WeakPolarHBondContact O-CG 3.5Å; D102-Q104 VanDerWaalsContact C-N 3.35Å; D102-Q104 PolarHBondContact O-N 2.96Å; Q104-A108 HydrophobicContact CB-CB 4.32Å; Q104-A108 VanDerWaalsContact NE2-C 3.26Å; Q104-A108 PolarHBondContact NE2-O 3.36Å; Q104-A109 HydrophobicContact CG-CB 3.99Å; Q104-A109 VanDerWaalsContact NE2-N 3.11Å
105T92.6Very high88.3Confident45 Ų4564.8 Ų64.828%0.27634%0.339SS..BIsolated β-bridgetrans-76.8155.9171.963.60000111N42 Q43 R107 A108 A109N42-T105 VanDerWaalsContact O-CG2 3.31Å; N42-T105 WeakPolarHBondContact O-CG2 3.15Å; Q43-T105 VanDerWaalsContact O-CA 3.3Å; Q43-T105 WeakPolarHBondContact O-CA 3.21Å; T105-R107 PolarHBondContact O-N 2.88Å; T105-A108 PolarHBondContact O-N 2.9Å; T105-A108 VanDerWaalsContact O-N 3.12Å; T105-A108 VanDerWaalsContact OG1-CB 3.29Å; T105-A108 WeakPolarHBondContact OG1-CB 3.46Å; T105-A108 PolarHBondContact OG1-N 2.66Å; T105-A109 WeakPolarHBondContact O-CB 3.43Å; T105-A109 PolarHBondContact O-N 2.79Å
106L91.2Very high88.8Confident1 Ų165.2 Ų65.21%0.00534%0.34CS..THydrogen-bonded Turntrans-54.3-44.1175.2-70174.5000111.2V39 L41 Q43 V45 F48 L100 A109 G110 V111V39-L106 HydrophobicContact CG1-CD1 3.49Å; V39-L106 VanDerWaalsContact CG1-CD1 3.49Å; L41-L106 HydrophobicContact CD2-CB 4.3Å; L41-L106 PolarHBondContact O-N 3.08Å; Q43-L106 HydrophobicContact CG-CD1 3.77Å; Q43-L106 HydrophobicContact CG-CG 4.26Å; Q43-L106 PolarHBondContact O-N 3.33Å; V45-L106 HydrophobicContact CG2-CD2 4.12Å; F48-L106 HydrophobicContact CB-CD1 4Å; F48-L106 HydrophobicContact CB-CD2 4.08Å; F48-L106 HydrophobicContact CB-CG 4.31Å; F48-L106 HydrophobicContact CD1-CD1 4.2Å; F48-L106 HydrophobicContact CD1-CD2 3.75Å; F48-L106 HydrophobicContact CD2-CD1 4.1Å; F48-L106 HydrophobicContact CE1-CD2 4.48Å; F48-L106 HydrophobicContact CG-CD1 3.83Å; F48-L106 HydrophobicContact CG-CD2 4.05Å; F48-L106 HydrophobicContact CG-CG 4.46Å; L100-L106 HydrophobicContact CD2-CD2 4.02Å; L106-A109 CarbonylContact O-C 3.57Å; L106-A109 WeakPolarHBondContact O-CB 3.28Å; L106-A109 PolarHBondContact O-N 3.26Å; L106-A109 VanDerWaalsContact O-N 3.16Å; L106-G110 PolarHBondContact O-N 3.13Å; L106-V111 HydrophobicContact CB-CB 3.96Å; L106-V111 HydrophobicContact CB-CG1 4.39Å; L106-V111 HydrophobicContact CB-CG2 4.26Å; L106-V111 HydrophobicContact CD2-CG2 4.08Å; L106-V111 WeakPolarHBondContact O-CA 3.44Å; L106-V111 WeakPolarHBondContact O-CB 3.21Å; L106-V111 WeakPolarHBondContact O-CG2 3.37Å; L106-V111 PolarHBondContact O-N 2.82Å
107R90.1Very high89.4Confident151 Ų15156.2 Ų56.257%0.5730%0.298SS*.THydrogen-bonded Turntrans-59.1-48.4175.4-178.8178.1-82.1-102.75.5112.1L41 T105 A109 G110L41-R107 HydrophobicContact CB-CB 4.06Å; L41-R107 WeakPolarHBondContact O-CB 3.22Å; L41-R107 PolarHBondContact O-N 3.35Å; T105-R107 PolarHBondContact O-N 2.88Å; R107-A109 PolarHBondContact O-N 3.43Å; R107-G110 PolarHBondContact O-N 2.92Å
108A89.5Confident90.1Very high67 Ų6749 Ų4955%0.55427%0.267SS*.THydrogen-bonded Turntrans-65-27.5178.700000112Q104 T105 G110Q104-A108 HydrophobicContact CB-CB 4.32Å; Q104-A108 VanDerWaalsContact NE2-C 3.26Å; Q104-A108 PolarHBondContact NE2-O 3.36Å; T105-A108 PolarHBondContact O-N 2.9Å; T105-A108 VanDerWaalsContact O-N 3.12Å; T105-A108 VanDerWaalsContact OG1-CB 3.29Å; T105-A108 WeakPolarHBondContact OG1-CB 3.46Å; T105-A108 PolarHBondContact OG1-N 2.66Å; A108-G110 PolarHBondContact O-N 2.75Å
109A88.9Confident90.5Very high11 Ų1146.7 Ų46.79%0.09126%0.255CS..THydrogen-bonded Turntrans-77.2-0.8173.300000114.1V45 I76 L100 Q104 T105 L106 R107V45-A109 HydrophobicContact CG2-CB 4.13Å; I76-A109 WeakPolarHBondContact CD1-O 3.18Å; L100-A109 HydrophobicContact CB-CB 4.21Å; L100-A109 HydrophobicContact CD2-CB 4.24Å; L100-A109 HydrophobicContact CG-CB 3.79Å; Q104-A109 HydrophobicContact CG-CB 3.99Å; Q104-A109 VanDerWaalsContact NE2-N 3.11Å; T105-A109 WeakPolarHBondContact O-CB 3.43Å; T105-A109 PolarHBondContact O-N 2.79Å; L106-A109 CarbonylContact O-C 3.57Å; L106-A109 WeakPolarHBondContact O-CB 3.28Å; L106-A109 PolarHBondContact O-N 3.26Å; L106-A109 VanDerWaalsContact O-N 3.16Å; R107-A109 PolarHBondContact O-N 3.43Å
110G87.8Confident90.6Very high30 Ų3045.2 Ų45.231%0.30925%0.247SC..THydrogen-bonded Turntrans8512.6-179.300000113.9I76 Q79 L106 R107 A108I76-G110 WeakPolarHBondContact CD1-O 3.31Å; Q79-G110 PolarHBondContact NE2-O 3.16Å; L106-G110 PolarHBondContact O-N 3.13Å; R107-G110 PolarHBondContact O-N 2.92Å; A108-G110 PolarHBondContact O-N 2.75Å
111V89.3Confident90.6Very high3 Ų349.1 Ų49.12%0.01826%0.261CS..  trans-78.5127171.4-175.40000109V18 L41 I76 L100 L106 T115 V117V18-V111 HydrophobicContact CG1-CG1 4.38Å; V18-V111 HydrophobicContact CG2-CG1 3.83Å; L41-V111 HydrophobicContact CD2-CB 4.42Å; L41-V111 HydrophobicContact CD2-CG1 3.94Å; I76-V111 HydrophobicContact CD1-CG2 4.18Å; I76-V111 HydrophobicContact CG1-CG2 4.44Å; L100-V111 HydrophobicContact CD2-CG2 3.72Å; L100-V111 HydrophobicContact CG-CG2 4.47Å; L106-V111 HydrophobicContact CB-CB 3.96Å; L106-V111 HydrophobicContact CB-CG1 4.39Å; L106-V111 HydrophobicContact CB-CG2 4.26Å; L106-V111 HydrophobicContact CD2-CG2 4.08Å; L106-V111 WeakPolarHBondContact O-CA 3.44Å; L106-V111 WeakPolarHBondContact O-CB 3.21Å; L106-V111 WeakPolarHBondContact O-CG2 3.37Å; L106-V111 PolarHBondContact O-N 2.82Å; V111-T115 HydrophobicContact CG1-CG2 4.17Å; V111-V117 HydrophobicContact CG2-CG1 4.31Å
112A89.4Confident90.6Very high48 Ų4849.9 Ų49.940%0.39726%0.263SS..  trans-125.6179.2175.100000110.6E114 T115A112-E114 PolarHBondContact O-N 2.52Å; A112-T115 WeakPolarHBondContact CA-OG1 3.38Å; A112-T115 PolarHBondContact N-OG1 2.86Å; A112-T115 WeakPolarHBondContact O-CB 3.41Å; A112-T115 PolarHBondContact O-N 2.82Å; A112-T115 PolarHBondContact O-OG1 3.13Å
113N89.4Confident90.5Very high74 Ų7452.5 Ų52.540%0.39627%0.273SS..THydrogen-bonded Turntrans-55139.8171.1-172.444.5000111A16 V17 T115A16-N113 HydrophobicContact CB-CB 4.43Å; V17-N113 PolarHBondContact N-OD1 3.38Å; N113-T115 PolarHBondContact O-N 2.75Å
114E87.9Confident90.3Very high118 Ų11848.5 Ų48.555%0.55125%0.252SS*.THydrogen-bonded Turntrans6121.4-178.4-62.6172.4108.800114.4V17 A80 A112V17-E114 VanDerWaalsContact O-CA 3.22Å; V17-E114 WeakPolarHBondContact O-CA 3.15Å; V17-E114 PolarHBondContact O-N 3.1Å; A80-E114 HydrophobicContact CB-CB 3.74Å; A112-E114 PolarHBondContact O-N 2.52Å
115T89.8Confident90.1Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-72.7137.9173-61.20000110.7T19 I76 H78 Q79 V111 A112 N113 V117T19-T115 PolarHBondContact N-O 3.47Å; I76-T115 HydrophobicContact CG2-CG2 4.06Å; H78-T115 WeakPolarHBondContact O-CG2 3.43Å; Q79-T115 HydrophobicContact CG-CG2 4.39Å; V111-T115 HydrophobicContact CG1-CG2 4.17Å; A112-T115 WeakPolarHBondContact CA-OG1 3.38Å; A112-T115 PolarHBondContact N-OG1 2.86Å; A112-T115 WeakPolarHBondContact O-CB 3.41Å; A112-T115 PolarHBondContact O-N 2.82Å; A112-T115 PolarHBondContact O-OG1 3.13Å; N113-T115 PolarHBondContact O-N 2.75Å; T115-V117 HydrophobicContact CG2-CG1 3.99Å
116E91.2Very high89.8Confident28 Ų2848 Ų4813%0.13125%0.251CS..EExtended strand (participates in β ladder)trans-100.3123.5169.6-53.5-167.365.700110T19 R21 I77 H78T19-E116 CarbonylContact O-C 3Å; T19-E116 VanDerWaalsContact O-CA 3.32Å; T19-E116 WeakPolarHBondContact O-CA 3.4Å; R21-E116 IonicContact CZ-OE1 2.71Å; R21-E116 VanDerWaalsContact CZ-OE1 3.22Å; R21-E116 IonicContact NE-OE1 3.32Å; R21-E116 PolarHBondContact NE-OE1 2.85Å; R21-E116 IonicContact NH2-OE1 2.94Å; R21-E116 PolarHBondContact NH2-OE1 2.99Å; R21-E116 IonicContact NH2-OE2 3.48Å; R21-E116 PolarHBondContact NH2-OE2 2.88Å; I77-E116 PolarHBondContact N-O 2.82Å; H78-E116 HydrophobicContact CB-CB 4.09Å; H78-E116 HydrophobicContact CB-CG 4.28Å; H78-E116 IonicContact CD2-OE2 2.94Å; H78-E116 PolarHBondContact N-O 2.86Å; H78-E116 VanDerWaalsContact N-O 3.13Å; H78-E116 PolarHBondContact O-N 2.84Å
117V92.1Very high89.5Confident1 Ų154.1 Ų54.11%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-117.2142.4175.4-58.10000109.8V18 T19 V20 R21 M74 K75 I76 V111 T115V18-V117 HydrophobicContact CG1-CG1 4.39Å; V18-V117 HydrophobicContact CG1-CG2 3.96Å; T19-V117 PolarHBondContact O-N 2.98Å; V20-V117 CarbonylContact C-O 3.58Å; V20-V117 WeakPolarHBondContact CA-O 3.27Å; V20-V117 HydrophobicContact CB-CG2 4.24Å; V20-V117 HydrophobicContact CG1-CG2 4.3Å; V20-V117 HydrophobicContact CG2-CG2 3.75Å; R21-V117 PolarHBondContact N-O 3.12Å; M74-V117 HydrophobicContact SD-CG2 4.44Å; K75-V117 CarbonylContact O-C 3.52Å; K75-V117 WeakPolarHBondContact O-CA 3.42Å; I76-V117 HydrophobicContact CG1-CG1 4.24Å; V111-V117 HydrophobicContact CG2-CG1 4.31Å; T115-V117 HydrophobicContact CG2-CG1 3.99Å
118G92.6Very high89.2Confident0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-92.4133.6168.400000109.9R21 M74 K75 I77R21-G118 CarbonylContact O-C 3.52Å; R21-G118 WeakPolarHBondContact O-CA 3.37Å; M74-G118 CarbonylContact C-O 3.5Å; M74-G118 VanDerWaalsContact CA-O 3.24Å; M74-G118 WeakPolarHBondContact CA-O 3.35Å; K75-G118 PolarHBondContact N-O 3.02Å; K75-G118 PolarHBondContact O-N 2.93Å; I77-G118 VanDerWaalsContact CD1-CA 3.48Å
119F94.1Very high88.9Confident0 Ų050.2 Ų50.20%025%0.252CS..EExtended strand (participates in β ladder)trans-112.5122.9173.6-168.8-147.4000108.6V20 R21 L22 I23 M49 V52 R53 Y71 T73 M74V20-F119 HydrophobicContact CG1-CB 3.61Å; V20-F119 HydrophobicContact CG1-CG 4.42Å; R21-F119 PolarHBondContact O-N 2.76Å; L22-F119 HydrophobicContact CD2-CB 4.33Å; L22-F119 HydrophobicContact CD2-CD1 3.9Å; I23-F119 PolarHBondContact N-O 3.46Å; M49-F119 HydrophobicContact CB-CE2 4.24Å; M49-F119 HydrophobicContact CB-CZ 4.19Å; M49-F119 HydrophobicContact CG-CE2 3.84Å; M49-F119 HydrophobicContact CG-CZ 4.28Å; M49-F119 HydrophobicContact SD-CE2 3.9Å; V52-F119 HydrophobicContact CB-CE1 4.4Å; V52-F119 HydrophobicContact CG1-CD1 3.75Å; V52-F119 HydrophobicContact CG1-CE1 3.8Å; R53-F119 HydrophobicContact CG-CE1 3.78Å; R53-F119 HydrophobicContact CG-CZ 3.81Å; Y71-F119 VanDerWaalsContact CB-CD1 3.42Å; Y71-F119 HydrophobicContact CD1-CB 4.39Å; Y71-F119 AromaticContact CD1-CD1 3.93Å; Y71-F119 HydrophobicContact CD1-CD1 3.93Å; Y71-F119 HydrophobicContact CD1-CE1 4.49Å; Y71-F119 HydrophobicContact CD1-CG 4.07Å; Y71-F119 WeakPolarHBondContact CD1-O 3.47Å; Y71-F119 HydrophobicContact CD2-CD1 4.12Å; Y71-F119 HydrophobicContact CD2-CE1 4.05Å; Y71-F119 WeakPolarHBondContact CE1-O 3.02Å; Y71-F119 AromaticContact CG-CD1 3.57Å; Y71-F119 HydrophobicContact CG-CD1 3.57Å; Y71-F119 AromaticContact CG-CE1 3.69Å; Y71-F119 HydrophobicContact CG-CE1 3.69Å; Y71-F119 HydrophobicContact CG-CG 4.05Å; Y71-F119 HydrophobicContact CG-CZ 4.24Å; T73-F119 WeakPolarHBondContact O-CD2 3.33Å; M74-F119 HydrophobicContact CB-CD2 4.49Å; M74-F119 HydrophobicContact CE-CB 4.27Å; M74-F119 HydrophobicContact CE-CD1 4.11Å; M74-F119 HydrophobicContact CE-CD2 3.73Å; M74-F119 HydrophobicContact CE-CE1 4.3Å; M74-F119 HydrophobicContact CE-CE2 3.97Å; M74-F119 HydrophobicContact CE-CG 3.81Å; M74-F119 HydrophobicContact CE-CZ 4.24Å; M74-F119 HydrophobicContact CG-CB 4.18Å; M74-F119 HydrophobicContact CG-CD2 3.32Å; M74-F119 HydrophobicContact CG-CE2 3.92Å; M74-F119 HydrophobicContact CG-CG 4.03Å; M74-F119 HydrophobicContact SD-CD2 4.38Å
120F92.2Very high88.7Confident0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-149.9174-170.558.4-87.8000111.7I23 F26 D72 T73 K75 M90 Y125I23-F120 HydrophobicContact CB-CB 4.11Å; I23-F120 HydrophobicContact CD1-CD1 4.49Å; F26-F120 HydrophobicContact CE2-CB 3.97Å; F26-F120 HydrophobicContact CE2-CD2 4.11Å; F26-F120 HydrophobicContact CE2-CG 4.23Å; F26-F120 HydrophobicContact CZ-CB 3.55Å; F26-F120 HydrophobicContact CZ-CD1 4.17Å; F26-F120 AromaticContact CZ-CD2 3.63Å; F26-F120 HydrophobicContact CZ-CD2 3.63Å; F26-F120 HydrophobicContact CZ-CE2 4.32Å; F26-F120 AromaticContact CZ-CG 3.53Å; F26-F120 HydrophobicContact CZ-CG 3.53Å; D72-F120 PolarHBondContact N-O 2.83Å; T73-F120 HydrophobicContact CG2-CE1 4.13Å; T73-F120 HydrophobicContact CG2-CE2 3.76Å; T73-F120 HydrophobicContact CG2-CZ 3.51Å; T73-F120 PolarHBondContact N-O 2.79Å; T73-F120 PolarHBondContact O-N 2.84Å; K75-F120 HydrophobicContact CB-CE1 3.66Å; K75-F120 HydrophobicContact CB-CZ 4.1Å; M90-F120 HydrophobicContact CE-CD1 3.95Å; M90-F120 HydrophobicContact CE-CE1 3.66Å; M90-F120 HydrophobicContact SD-CD1 3.86Å; M90-F120 HydrophobicContact SD-CE1 3.5Å; M90-F120 WeakPolarHBondContact SD-CE1 3.5Å; M90-F120 HydrophobicContact SD-CZ 4.08Å; F120-Y125 HydrophobicContact CD2-CD2 4.45Å; F120-Y125 HydrophobicContact CD2-CG 4.13Å; F120-Y125 HydrophobicContact CE2-CD1 4.11Å; F120-Y125 AromaticContact CE2-CD2 3.95Å; F120-Y125 HydrophobicContact CE2-CD2 3.95Å; F120-Y125 AromaticContact CE2-CG 3.52Å; F120-Y125 HydrophobicContact CE2-CG 3.52Å; F120-Y125 HydrophobicContact CZ-CD2 4.28Å; F120-Y125 HydrophobicContact CZ-CG 4.15Å
121R92Very high88.3Confident92 Ų9255.3 Ų55.335%0.34728%0.283SS..  trans-89.8123.9171.2-170.6179.9176.3179.2-2.3110.4Y69 G70 D72 E123 D124 Y125Y69-R121 HydrophobicContact CE1-CB 3.83Å; Y69-R121 WeakPolarHBondContact OH-CB 3.34Å; G70-R121 WeakPolarHBondContact O-CB 3.32Å; G70-R121 WeakPolarHBondContact O-CG 3.49Å; D72-R121 WeakPolarHBondContact OD1-CA 3.41Å; D72-R121 VanDerWaalsContact OD1-CG 3.3Å; D72-R121 WeakPolarHBondContact OD1-CG 3.46Å; R121-E123 VanDerWaalsContact C-N 3.27Å; R121-E123 HydrophobicContact CG-CB 4.39Å; R121-E123 IonicContact CZ-OE2 3.04Å; R121-E123 VanDerWaalsContact CZ-OE2 3.23Å; R121-E123 IonicContact NE-OE2 2.84Å; R121-E123 PolarHBondContact NE-OE2 3.35Å; R121-E123 IonicContact NH2-OE1 2.66Å; R121-E123 PolarHBondContact NH2-OE1 3.11Å; R121-E123 IonicContact NH2-OE2 2.64Å; R121-E123 PolarHBondContact NH2-OE2 3.23Å; R121-E123 PolarHBondContact O-N 2.83Å; R121-D124 HydrophobicContact CB-CB 4.33Å; R121-D124 PolarHBondContact O-N 3.48Å; R121-D124 VanDerWaalsContact O-N 3.16Å; R121-Y125 PolarHBondContact O-N 3.29Å; R121-Y125 VanDerWaalsContact O-N 3.13Å
122K89.9Confident87.4Confident116 Ų11659 Ų5950%0.50431%0.307SS..Hα-helixtrans-58.7-39.4-175.5-170.9170.4-177.5173.40112.8D72 T73 D124 Y125 V126D72-K122 PolarHBondContact OD1-N 2.77Å; D72-K122 WeakPolarHBondContact OD2-CB 3.24Å; D72-K122 PolarHBondContact OD2-N 2.84Å; T73-K122 WeakPolarHBondContact OG1-CB 3.12Å; K122-D124 PolarHBondContact O-N 2.89Å; K122-Y125 WeakPolarHBondContact O-CB 3.4Å; K122-Y125 PolarHBondContact O-N 3.33Å; K122-V126 HydrophobicContact CG-CG2 4.36Å; K122-V126 WeakPolarHBondContact O-CG2 3.47Å; K122-V126 PolarHBondContact O-N 2.97Å
123E88.7Confident86.6Confident120 Ų12062.6 Ų62.656%0.56131%0.314SS*.Hα-helixtrans-60-45.4178.4-67.4173.780.100111.9R121 Y125 V126 F127R121-E123 VanDerWaalsContact C-N 3.27Å; R121-E123 HydrophobicContact CG-CB 4.39Å; R121-E123 IonicContact CZ-OE2 3.04Å; R121-E123 VanDerWaalsContact CZ-OE2 3.23Å; R121-E123 IonicContact NE-OE2 2.84Å; R121-E123 PolarHBondContact NE-OE2 3.35Å; R121-E123 IonicContact NH2-OE1 2.66Å; R121-E123 PolarHBondContact NH2-OE1 3.11Å; R121-E123 IonicContact NH2-OE2 2.64Å; R121-E123 PolarHBondContact NH2-OE2 3.23Å; R121-E123 PolarHBondContact O-N 2.83Å; E123-Y125 VanDerWaalsContact C-N 3.29Å; E123-Y125 PolarHBondContact O-N 3.25Å; E123-V126 PolarHBondContact O-N 3.35Å; E123-F127 WeakPolarHBondContact O-CB 3.4Å; E123-F127 PolarHBondContact O-N 3.32Å
124D86.4Confident85.2Confident59 Ų5961.6 Ų61.632%0.31631%0.312SS..Hα-helixtrans-66.4-35.4178.6-70.9-32.8000111.2F26 Y69 R121 K122 Y128F26-D124 HydrophobicContact CD2-CB 4.5Å; F26-D124 HydrophobicContact CE2-CB 4.44Å; Y69-D124 PolarHBondContact OH-OD2 3.06Å; R121-D124 HydrophobicContact CB-CB 4.33Å; R121-D124 PolarHBondContact O-N 3.48Å; R121-D124 VanDerWaalsContact O-N 3.16Å; K122-D124 PolarHBondContact O-N 2.89Å; D124-Y128 WeakPolarHBondContact O-CB 3.33Å; D124-Y128 PolarHBondContact O-N 2.81Å
125Y87.2Confident83.8Confident6 Ų662.1 Ų62.12%0.02431%0.313CS..Hα-helixtrans-65.8-48.3174.5177.5-98.1000112.4F26 M90 L92 D95 F120 R121 K122 E123 F127 Y128 K129F26-Y125 HydrophobicContact CD1-CD2 4.4Å; F26-Y125 AromaticContact CE1-CD2 3.73Å; F26-Y125 HydrophobicContact CE1-CD2 3.73Å; F26-Y125 HydrophobicContact CE1-CE2 4.45Å; F26-Y125 HydrophobicContact CE2-CD2 4.24Å; F26-Y125 AromaticContact CZ-CD2 3.63Å; F26-Y125 HydrophobicContact CZ-CD2 3.63Å; F26-Y125 HydrophobicContact CZ-CG 4.24Å; M90-Y125 HydrophobicContact SD-CD2 4.5Å; M90-Y125 HydrophobicContact SD-CE2 4.36Å; L92-Y125 HydrophobicContact CD2-CD2 4.5Å; L92-Y125 HydrophobicContact CD2-CE2 3.56Å; L92-Y125 WeakPolarHBondContact CD2-OH 3.15Å; D95-Y125 PolarHBondContact OD1-OH 3.27Å; D95-Y125 PolarHBondContact OD2-OH 3.24Å; F120-Y125 HydrophobicContact CD2-CD2 4.45Å; F120-Y125 HydrophobicContact CD2-CG 4.13Å; F120-Y125 HydrophobicContact CE2-CD1 4.11Å; F120-Y125 AromaticContact CE2-CD2 3.95Å; F120-Y125 HydrophobicContact CE2-CD2 3.95Å; F120-Y125 AromaticContact CE2-CG 3.52Å; F120-Y125 HydrophobicContact CE2-CG 3.52Å; F120-Y125 HydrophobicContact CZ-CD2 4.28Å; F120-Y125 HydrophobicContact CZ-CG 4.15Å; R121-Y125 PolarHBondContact O-N 3.29Å; R121-Y125 VanDerWaalsContact O-N 3.13Å; K122-Y125 WeakPolarHBondContact O-CB 3.4Å; K122-Y125 PolarHBondContact O-N 3.33Å; E123-Y125 VanDerWaalsContact C-N 3.29Å; E123-Y125 PolarHBondContact O-N 3.25Å; Y125-F127 VanDerWaalsContact C-N 3.29Å; Y125-F127 PolarHBondContact O-N 3.47Å; Y125-Y128 PolarHBondContact O-N 2.88Å; Y125-K129 HydrophobicContact CE1-CD 4.09Å; Y125-K129 WeakPolarHBondContact O-CB 3.12Å; Y125-K129 PolarHBondContact O-N 3.43Å
126V86.3Confident82Confident82 Ų8276.8 Ų76.850%0.49737%0.368SS..Hα-helixtrans-61.7-41.1177.5171.80000110.5K122 E123 K129 A130K122-V126 HydrophobicContact CG-CG2 4.36Å; K122-V126 WeakPolarHBondContact O-CG2 3.47Å; K122-V126 PolarHBondContact O-N 2.97Å; E123-V126 PolarHBondContact O-N 3.35Å; V126-K129 PolarHBondContact O-N 2.71Å; V126-A130 WeakPolarHBondContact O-CB 3.4Å; V126-A130 PolarHBondContact O-N 2.94Å
127F85.6Confident81.6Confident131 Ų13179.3 Ų79.358%0.57538%0.38SS*.Hα-helixtrans-62-47.2175.4-175.6-93.5000112E123 Y125 A130 N131E123-F127 WeakPolarHBondContact O-CB 3.4Å; E123-F127 PolarHBondContact O-N 3.32Å; Y125-F127 VanDerWaalsContact C-N 3.29Å; Y125-F127 PolarHBondContact O-N 3.47Å; F127-A130 PolarHBondContact O-N 2.83Å; F127-N131 PolarHBondContact O-N 2.99Å; F127-N131 VanDerWaalsContact O-N 3.11Å
128Y83.8Confident81Confident35 Ų3583.4 Ų83.414%0.13740%0.4CS..Hα-helixtrans-64-40176.5178.4-102.3000112.1F26 E27 L92 D124 Y125 A130 N131 P132F26-Y128 HydrophobicContact CB-CD1 3.63Å; F26-Y128 HydrophobicContact CB-CD2 3.61Å; F26-Y128 HydrophobicContact CB-CE1 4.04Å; F26-Y128 HydrophobicContact CB-CE2 4.02Å; F26-Y128 HydrophobicContact CB-CG 3.4Å; F26-Y128 HydrophobicContact CD1-CD1 4.37Å; F26-Y128 HydrophobicContact CG-CD1 4.11Å; F26-Y128 HydrophobicContact CG-CG 4.13Å; E27-Y128 HydrophobicContact CG-CD2 3.95Å; E27-Y128 HydrophobicContact CG-CE2 4.38Å; L92-Y128 HydrophobicContact CD1-CE1 4.19Å; L92-Y128 HydrophobicContact CD2-CD1 3.96Å; L92-Y128 HydrophobicContact CD2-CE1 4.02Å; L92-Y128 HydrophobicContact CG-CE1 4.42Å; D124-Y128 WeakPolarHBondContact O-CB 3.33Å; D124-Y128 PolarHBondContact O-N 2.81Å; Y125-Y128 PolarHBondContact O-N 2.88Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 3.22Å; Y128-N131 CarbonylContact O-C 3.49Å; Y128-N131 PolarHBondContact O-N 3.3Å; Y128-P132 WeakPolarHBondContact O-CA 3.46Å
129K82.9Confident80.4Confident100 Ų10088 Ų8844%0.43542%0.422SS..Hα-helixtrans-64.2-38.6176.8-173.8174.7-177.9172.90112.1L92 D95 Y125 V126 N131L92-K129 HydrophobicContact CD2-CB 4.41Å; D95-K129 IonicContact OD2-NZ 2.7Å; D95-K129 PolarHBondContact OD2-NZ 2.96Å; Y125-K129 HydrophobicContact CE1-CD 4.09Å; Y125-K129 WeakPolarHBondContact O-CB 3.12Å; Y125-K129 PolarHBondContact O-N 3.43Å; V126-K129 PolarHBondContact O-N 2.71Å; K129-N131 VanDerWaalsContact C-N 3.31Å
130A83.3Confident79.6Confident87 Ų8793.2 Ų93.272%0.71945%0.447SS*.Hα-helixtrans-70.4-26.9176.400000113V126 F127 Y128V126-A130 WeakPolarHBondContact O-CB 3.4Å; V126-A130 PolarHBondContact O-N 2.94Å; F127-A130 PolarHBondContact O-N 2.83Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 3.22Å
131N79.3Confident78.8Confident62 Ų6299 Ų9933%0.33248%0.475SS..SBendtrans-145.178.9178.5176.469000110.7F127 Y128 K129 K133F127-N131 PolarHBondContact O-N 2.99Å; F127-N131 VanDerWaalsContact O-N 3.11Å; Y128-N131 CarbonylContact O-C 3.49Å; Y128-N131 PolarHBondContact O-N 3.3Å; K129-N131 VanDerWaalsContact C-N 3.31Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 WeakPolarHBondContact ND2-CD 3.04Å; N131-K133 PolarHBondContact O-N 3.23Å; N131-K133 WeakPolarHBondContact OD1-CE 3.5Å; N131-K133 PolarHBondContact OD1-NZ 3.16Å
132P72.1Confident77.9Confident81 Ų8199.5 Ų99.553%0.52648%0.484SS..  trans-74.386.9-175.328.4-33.7000109.8L92 Y128L92-P132 HydrophobicContact CD1-CB 4.38Å; Y128-P132 WeakPolarHBondContact O-CA 3.46Å
133K70.9Confident77Confident123 Ų12398.3 Ų98.354%0.53548%0.482SS..  trans-109.8116.2172.9-69.4-174.6-178.9160.80108.4E27 N131E27-K133 WeakPolarHBondContact CG-O 3.4Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 WeakPolarHBondContact ND2-CD 3.04Å; N131-K133 PolarHBondContact O-N 3.23Å; N131-K133 WeakPolarHBondContact OD1-CE 3.5Å; N131-K133 PolarHBondContact OD1-NZ 3.16Å
134S61.3Low76.1Confident52 Ų5296.6 Ų96.636%0.36448%0.476SS..  trans-78125.8166.7-67.90000108.5R29R29-S134 PolarHBondContact NH2-OG 3.37Å
135K59.1Low75.3Confident129 Ų12999.8 Ų99.856%0.56149%0.489SS*.  trans-101.3114.8170.2-72.7-173.7178.8171.70107.7E27E27-K135 PolarHBondContact O-N 3.03Å; E27-K135 WeakPolarHBondContact OE1-CE 3.31Å; E27-K135 IonicContact OE1-NZ 3.9Å
136W51.7Low74.2Confident309 Ų309108.3 Ų108.3100%1.1753%0.532SS*.  trans-83.50177.138.3-79.5000110.8

Retrieved 136 of 136 residues in 59.7 ms (Link to these results)

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