A0A077ZDN1_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M50.6Low40Very low236 Ų236154.2 Ų154.2100%1.16379%0.792SS**  0105.80-76.3179.5164.100108.1V3M1-V3 PolarHBondContact O-N 3.04Å
2T36Very low40.2Very low137 Ų137154.1 Ų154.184%0.8479%0.793SS**  trans-70.899.5-179.8-50.80000109V4T2-V4 PolarHBondContact O-N 2.86Å
3V41.1Very low41Very low116 Ų116149.2 Ų149.270%0.70377%0.769SS**  trans-75.6102.5168-174.30000106.3M1 V5M1-V3 PolarHBondContact O-N 3.04Å; V3-V5 HydrophobicContact CG1-CG1 4.5Å; V3-V5 PolarHBondContact O-N 3.18Å
4V38.3Very low42Very low120 Ų120145.4 Ų145.473%0.72776%0.756SS**  trans-67.388.5166.7-1730000106.2T2 R6T2-V4 PolarHBondContact O-N 2.86Å; V4-R6 PolarHBondContact O-N 3.02Å
5V38.8Very low43.5Very low105 Ų105143.1 Ų143.164%0.63674%0.742SS**  trans-58.7108.9165.2-87.70000106.7V3 T7V3-V5 HydrophobicContact CG1-CG1 4.5Å; V3-V5 PolarHBondContact O-N 3.18Å; V5-T7 WeakPolarHBondContact CB-OG1 3.44Å; V5-T7 PolarHBondContact O-N 3.38Å; V5-T7 PolarHBondContact O-OG1 2.79Å
6R43.5Very low45.8Very low244 Ų244135 Ų13592%0.92170%0.702SS**  trans-67.868.5164.7-79.6-179171.2170.8-2.5107.9V4 G8V4-R6 PolarHBondContact O-N 3.02Å; R6-G8 PolarHBondContact O-N 2.99Å
7T33.3Very low48.6Very low113 Ų113129.4 Ų129.469%0.69367%0.674SS**  trans-80.176.4171.9-29.80000107.1V5V5-T7 WeakPolarHBondContact CB-OG1 3.44Å; V5-T7 PolarHBondContact O-N 3.38Å; V5-T7 PolarHBondContact O-OG1 2.79Å
8G38.8Very low51.2Low61 Ų61122.2 Ų122.263%0.62964%0.636SS**  trans-126.561.7177.200000109.4R6 R10R6-G8 PolarHBondContact O-N 2.99Å; G8-R10 PolarHBondContact O-N 2.89Å
9Y33.3Very low53.6Low211 Ų211115.8 Ų115.883%0.82760%0.603SS**  trans-56.7100.7153.7-77.2-89.2000105.8L11Y9-L11 VanDerWaalsContact C-N 3.34Å; Y9-L11 PolarHBondContact O-N 2.91Å
10R46.2Very low55.8Low189 Ų189113.1 Ų113.171%0.71358%0.584SS**  trans-56.5103.4171-98.1-175.9-79.8-160.8-2.9106G8 L12 D13G8-R10 PolarHBondContact O-N 2.89Å; R10-L12 PolarHBondContact O-N 2.87Å; R10-D13 IonicContact CZ-OD1 3.95Å; R10-D13 IonicContact NE-OD1 3.66Å; R10-D13 PolarHBondContact O-N 3.27Å
11L40.3Very low57.8Low164 Ų164107.8 Ų107.886%0.85956%0.557SS**THydrogen-bonded Turntrans-60.2-16.3-160.5-14884.2000113.8Y9Y9-L11 VanDerWaalsContact C-N 3.34Å; Y9-L11 PolarHBondContact O-N 2.91Å
12L41.9Very low60Low153 Ų153101.5 Ų101.580%0.80152%0.52SS*.THydrogen-bonded Turntrans-149.886.7166.4-67168.6000105.5R10 V14R10-L12 PolarHBondContact O-N 2.87Å; L12-V14 HydrophobicContact CB-CG2 4.37Å; L12-V14 PolarHBondContact O-N 2.77Å
13D50.3Low62.9Low90 Ų90102 Ų10248%0.48151%0.507SS..  trans-62.191.2159-111.7-21.6000104.9R10 M15R10-D13 IonicContact CZ-OD1 3.95Å; R10-D13 IonicContact NE-OD1 3.66Å; R10-D13 PolarHBondContact O-N 3.27Å; D13-M15 HydrophobicContact CB-CG 4.28Å; D13-M15 WeakPolarHBondContact O-CG 3.15Å; D13-M15 PolarHBondContact O-N 3.17Å
14V56.1Low65.5Low97 Ų9797 Ų9759%0.58848%0.476SS*.  trans-63.986.3166.9-1770000103.9L12 A16 P95L12-V14 HydrophobicContact CB-CG2 4.37Å; L12-V14 PolarHBondContact O-N 2.77Å; V14-A16 PolarHBondContact O-N 2.7Å; V14-P95 HydrophobicContact CB-CB 4.01Å; V14-P95 HydrophobicContact CB-CG 4.05Å; V14-P95 HydrophobicContact CG1-CB 3.79Å; V14-P95 HydrophobicContact CG1-CG 4.39Å
15M64Low68.1Low111 Ų11191.6 Ų91.655%0.54744%0.443SS..  trans-65.5110.5-163.3-51.2-179.691.700107.3D13 N17 S68D13-M15 HydrophobicContact CB-CG 4.28Å; D13-M15 WeakPolarHBondContact O-CG 3.15Å; D13-M15 PolarHBondContact O-N 3.17Å; M15-N17 PolarHBondContact O-N 2.94Å; M15-S68 WeakPolarHBondContact CB-OG 3.36Å; M15-S68 WeakPolarHBondContact CE-OG 3.35Å; M15-S68 PolarHBondContact SD-OG 3.21Å
16A80.5Confident70.4Confident13 Ų1391.7 Ų91.711%0.10744%0.435CS..  trans-69.4118.9-178.900000109.2V14 V92 L93 I98V14-A16 PolarHBondContact O-N 2.7Å; A16-V92 HydrophobicContact CB-CG1 3.56Å; A16-L93 WeakPolarHBondContact CB-O 3.15Å; A16-I98 HydrophobicContact CB-CD1 4.27Å
17N92.7Very high72.5Confident40 Ų4081.7 Ų81.721%0.21441%0.408CS..  trans-98.98.8177.965-31.1000112.3M15 E64 F65M15-N17 PolarHBondContact O-N 2.94Å; N17-E64 WeakPolarHBondContact ND2-CG 3.47Å; N17-E64 PolarHBondContact ND2-OE1 3.45Å; N17-E64 CarbonylContact O-C 3.53Å; N17-E64 WeakPolarHBondContact O-CA 3.47Å; N17-F65 WeakPolarHBondContact CB-O 3.44Å; N17-F65 PolarHBondContact ND2-O 3.24Å; N17-F65 PolarHBondContact O-N 2.79Å
18V96.1Very high75.4Confident0 Ų077.5 Ų77.50%038%0.38CS..EExtended strand (participates in β ladder)trans-107.5121.9-178.5-178.80000110.5F62 V63 E64 L93 I98 L102 F103V18-F62 HydrophobicContact CG1-CB 4.19Å; V18-F62 HydrophobicContact CG1-CD1 4.24Å; V18-V63 CarbonylContact C-O 3.49Å; V18-V63 WeakPolarHBondContact CA-O 3.27Å; V18-E64 HydrophobicContact CG2-CB 4.07Å; V18-E64 HydrophobicContact CG2-CG 3.92Å; V18-L93 HydrophobicContact CB-CB 4.41Å; V18-L93 HydrophobicContact CG1-CB 4.33Å; V18-L93 HydrophobicContact CG1-CD2 4.48Å; V18-L93 WeakPolarHBondContact O-CB 3.48Å; V18-L93 PolarHBondContact O-N 3.48Å; V18-I98 HydrophobicContact CB-CD1 3.89Å; V18-I98 HydrophobicContact CB-CG1 4.31Å; V18-I98 HydrophobicContact CG2-CD1 3.76Å; V18-I98 HydrophobicContact CG2-CG1 4.3Å; V18-I98 HydrophobicContact CG2-CG2 4.29Å; V18-L102 HydrophobicContact CG1-CD2 4.17Å; V18-F103 HydrophobicContact CG1-CE2 4.28Å; V18-F103 HydrophobicContact CG1-CZ 3.96Å; V18-F103 HydrophobicContact CG2-CE2 3.83Å; V18-F103 HydrophobicContact CG2-CZ 4.09Å
19V97.1Very high78Confident0 Ų077.2 Ų77.20%036%0.362CS..EExtended strand (participates in β ladder)trans-98.7131.2171.7-176.90000109.4V21 F62 V63 F65 A71 V74 A75 C90 E91V19-V21 HydrophobicContact CG1-CG2 4.15Å; V19-F62 WeakPolarHBondContact O-CA 2.97Å; V19-V63 PolarHBondContact N-O 3.2Å; V19-V63 PolarHBondContact O-N 3.29Å; V19-F65 HydrophobicContact CB-CE2 4.38Å; V19-F65 HydrophobicContact CG2-CD2 4.06Å; V19-F65 HydrophobicContact CG2-CE2 3.85Å; V19-A71 HydrophobicContact CG2-CB 3.67Å; V19-A71 VanDerWaalsContact CG2-O 3.27Å; V19-A71 WeakPolarHBondContact CG2-O 3.28Å; V19-V74 HydrophobicContact CG1-CG1 4.39Å; V19-V74 HydrophobicContact CG2-CB 4.44Å; V19-V74 HydrophobicContact CG2-CG1 4.4Å; V19-A75 HydrophobicContact CG1-CB 4.44Å; V19-C90 HydrophobicContact CG1-CB 4.39Å; V19-E91 WeakPolarHBondContact CA-O 3.4Å
20R97.5Very high80.9Confident61 Ų6169.7 Ų69.723%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-93.1121.8167.9-178.6174.274.1172.49.7109.3R22 T60 A61 F62 C90 E91 L93R20-R22 HydrophobicContact CG-CG 4.11Å; R20-T60 HydrophobicContact CG-CG2 4.25Å; R20-A61 WeakPolarHBondContact CA-O 3.32Å; R20-F62 HydrophobicContact CB-CD1 4.09Å; R20-F62 HydrophobicContact CB-CE1 3.96Å; R20-F62 HydrophobicContact CG-CD1 4.22Å; R20-F62 HydrophobicContact CG-CE1 3.77Å; R20-F62 HydrophobicContact CG-CZ 4.34Å; R20-C90 WeakPolarHBondContact O-CA 3.14Å; R20-E91 HydrophobicContact CB-CG 4.07Å; R20-E91 IonicContact CZ-OE1 3.77Å; R20-E91 IonicContact CZ-OE2 3.65Å; R20-E91 PolarHBondContact N-O 3.25Å; R20-E91 IonicContact NE-OE1 3.33Å; R20-E91 PolarHBondContact NE-OE1 2.91Å; R20-E91 IonicContact NE-OE2 2.9Å; R20-E91 IonicContact NH1-OE1 3.68Å; R20-E91 IonicContact NH2-OE1 2.61Å; R20-E91 PolarHBondContact NH2-OE1 3.39Å; R20-E91 IonicContact NH2-OE2 2.85Å; R20-E91 PolarHBondContact NH2-OE2 2.98Å; R20-E91 PolarHBondContact O-N 3.23Å; R20-E91 VanDerWaalsContact O-N 3.09Å; R20-L93 HydrophobicContact CB-CD1 4.05Å
21V97.4Very high83.2Confident2 Ų266.5 Ų66.51%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-108.4124.9177-173.80000108.4V19 I24 F37 T60 A61 V63 K89V19-V21 HydrophobicContact CG1-CG2 4.15Å; V21-I24 HydrophobicContact CB-CD1 4.12Å; V21-I24 HydrophobicContact CB-CG1 4.36Å; V21-I24 HydrophobicContact CG1-CD1 3.96Å; V21-I24 HydrophobicContact CG1-CG1 3.68Å; V21-F37 HydrophobicContact CG1-CZ 4.49Å; V21-F37 HydrophobicContact CG2-CE2 4.36Å; V21-F37 HydrophobicContact CG2-CZ 3.89Å; V21-T60 CarbonylContact O-C 3.53Å; V21-T60 VanDerWaalsContact O-CA 3.23Å; V21-T60 WeakPolarHBondContact O-CA 3.17Å; V21-A61 PolarHBondContact N-O 3.19Å; V21-A61 PolarHBondContact O-N 2.94Å; V21-V63 HydrophobicContact CG2-CG2 4.24Å; V21-K89 CarbonylContact C-O 3.3Å
22R97.6Very high85.8Confident104 Ų10462.5 Ų62.539%0.39231%0.308SS..EExtended strand (participates in β ladder)trans-122.9160.4179.7-60.4-176.270.7-149.9-0.7110.9R20 I24 G59 T60 K89R20-R22 HydrophobicContact CG-CG 4.11Å; R22-I24 VanDerWaalsContact C-N 3.31Å; R22-G59 CarbonylContact C-O 3.58Å; R22-T60 HydrophobicContact CG-CG2 3.98Å; R22-K89 HydrophobicContact CB-CB 4.25Å; R22-K89 PolarHBondContact N-O 3.15Å; R22-K89 PolarHBondContact O-N 3.22Å
23R96.1Very high88.3Confident148 Ų14855.2 Ų55.256%0.55827%0.27SS*.SBendtrans62.138.3-175.6-56.5-176.562.6-164.10.3112.4G59 S86 V87R23-G59 PolarHBondContact N-O 3Å; R23-S86 VanDerWaalsContact O-CB 3.31Å; R23-S86 WeakPolarHBondContact O-CB 3.49Å; R23-V87 WeakPolarHBondContact CB-O 3.25Å; R23-V87 WeakPolarHBondContact CD-O 3.5Å; R23-V87 PolarHBondContact NE-O 2.87Å; R23-V87 PolarHBondContact NH1-O 3.28Å
24I95.3Very high90.5Very high11 Ų1155.1 Ų55.16%0.05627%0.265CS..PPolyproline II helixtrans-67.9127.4177.2-60.2167000108.8V21 R22 F28 M33 L48 G59 A61V21-I24 HydrophobicContact CB-CD1 4.12Å; V21-I24 HydrophobicContact CB-CG1 4.36Å; V21-I24 HydrophobicContact CG1-CD1 3.96Å; V21-I24 HydrophobicContact CG1-CG1 3.68Å; R22-I24 VanDerWaalsContact C-N 3.31Å; I24-F28 HydrophobicContact CG2-CB 3.91Å; I24-F28 HydrophobicContact CG2-CD1 3.94Å; I24-F28 HydrophobicContact CG2-CG 4.43Å; I24-F28 WeakPolarHBondContact CG2-O 3.48Å; I24-M33 HydrophobicContact CD1-CE 3.91Å; I24-M33 HydrophobicContact CD1-SD 4.06Å; I24-L48 HydrophobicContact CD1-CD1 3.82Å; I24-G59 PolarHBondContact N-O 3.45Å; I24-G59 VanDerWaalsContact N-O 3.12Å; I24-A61 HydrophobicContact CD1-CB 3.41Å; I24-A61 VanDerWaalsContact CD1-CB 3.41Å
25P92.4Very high92.4Very high6 Ų657.6 Ų57.64%0.03927%0.271CS..PPolyproline II helixtrans-63.2150.5177.625.4-32.8000111.1G27 F28 L83 L84P25-G27 PolarHBondContact O-N 3.48Å; P25-F28 HydrophobicContact CG-CB 4.02Å; P25-F28 PolarHBondContact O-N 3.43Å; P25-L83 HydrophobicContact CG-CD2 4.08Å; P25-L83 HydrophobicContact CG-CG 4.16Å; P25-L84 HydrophobicContact CB-CB 4.32Å; P25-L84 HydrophobicContact CB-CD1 4.08Å; P25-L84 HydrophobicContact CG-CB 4.34Å; P25-L84 HydrophobicContact CG-CD1 3.94Å; P25-L84 HydrophobicContact CG-CG 4.42Å
26F88.4Confident93.9Very high107 Ų10754.9 Ų54.947%0.46926%0.255SS..THydrogen-bonded Turntrans-68.9128.6177.2-174.7-92.5000109.7F29F26-F29 HydrophobicContact CD2-CE1 4.46Å; F26-F29 HydrophobicContact CD2-CZ 4.31Å; F26-F29 HydrophobicContact CE1-CZ 4.26Å; F26-F29 HydrophobicContact CE2-CE1 4.34Å; F26-F29 AromaticContact CE2-CZ 3.97Å; F26-F29 HydrophobicContact CE2-CZ 3.97Å; F26-F29 AromaticContact CZ-CZ 3.94Å; F26-F29 HydrophobicContact CZ-CZ 3.94Å
27G88.2Confident94.6Very high34 Ų3454.3 Ų54.335%0.35125%0.25SC..THydrogen-bonded Turntrans107.1-19-174.600000113.5P25 F29P25-G27 PolarHBondContact O-N 3.48Å; G27-F29 PolarHBondContact O-N 2.87Å
28F93.4Very high94.8Very high26 Ų2654.5 Ų54.511%0.11426%0.255CS..  trans-8883.4171.6-160.4-114.2000109.4I24 P25 E32 M33 Y36 F37 L83I24-F28 HydrophobicContact CG2-CB 3.91Å; I24-F28 HydrophobicContact CG2-CD1 3.94Å; I24-F28 HydrophobicContact CG2-CG 4.43Å; I24-F28 WeakPolarHBondContact CG2-O 3.48Å; P25-F28 HydrophobicContact CG-CB 4.02Å; P25-F28 PolarHBondContact O-N 3.43Å; F28-E32 HydrophobicContact CD2-CB 3.83Å; F28-E32 HydrophobicContact CE2-CB 3.92Å; F28-M33 HydrophobicContact CD1-CG 3.4Å; F28-M33 HydrophobicContact CD1-SD 4.47Å; F28-M33 HydrophobicContact CE1-CB 4.21Å; F28-M33 HydrophobicContact CE1-CG 3.42Å; F28-M33 VanDerWaalsContact CE1-CG 3.42Å; F28-M33 HydrophobicContact CG-CG 4.23Å; F28-M33 HydrophobicContact CZ-CG 4.23Å; F28-Y36 HydrophobicContact CZ-CD1 4.14Å; F28-Y36 AromaticContact CZ-CG 3.88Å; F28-Y36 HydrophobicContact CZ-CG 3.88Å; F28-F37 HydrophobicContact CE1-CE2 4.43Å; F28-L83 HydrophobicContact CD1-CD2 3.62Å; F28-L83 HydrophobicContact CD2-CD2 4.06Å; F28-L83 HydrophobicContact CE1-CD2 3.6Å; F28-L83 HydrophobicContact CE2-CD2 4.07Å; F28-L83 HydrophobicContact CG-CD2 3.84Å; F28-L83 HydrophobicContact CZ-CD2 3.84Å
29F93.9Very high94.8Very high55 Ų5560.6 Ų60.624%0.24128%0.283CS..  trans-97.5-173.1-173.5-60.4-51.4000111.7F26 G27 N31 E32 M33 L48F26-F29 HydrophobicContact CD2-CE1 4.46Å; F26-F29 HydrophobicContact CD2-CZ 4.31Å; F26-F29 HydrophobicContact CE1-CZ 4.26Å; F26-F29 HydrophobicContact CE2-CE1 4.34Å; F26-F29 AromaticContact CE2-CZ 3.97Å; F26-F29 HydrophobicContact CE2-CZ 3.97Å; F26-F29 AromaticContact CZ-CZ 3.94Å; F26-F29 HydrophobicContact CZ-CZ 3.94Å; G27-F29 PolarHBondContact O-N 2.87Å; F29-N31 VanDerWaalsContact C-N 3.27Å; F29-N31 PolarHBondContact O-N 2.96Å; F29-E32 VanDerWaalsContact C-OE2 3.28Å; F29-E32 WeakPolarHBondContact CA-OE2 3.42Å; F29-E32 WeakPolarHBondContact CB-OE2 3.47Å; F29-E32 PolarHBondContact N-OE2 3.24Å; F29-E32 PolarHBondContact O-N 2.9Å; F29-M33 WeakPolarHBondContact O-CB 3.33Å; F29-M33 WeakPolarHBondContact O-CG 3.27Å; F29-M33 PolarHBondContact O-N 3.49Å; F29-L48 HydrophobicContact CD1-CD2 3.73Å
30E94.2Very high94.7Very high52 Ų5263.2 Ų63.224%0.24330%0.295CS..Hα-helixtrans-56.9-37.2-170.3-6687.7154.700113F34 L46 L48 R50E30-F34 VanDerWaalsContact O-CB 3.22Å; E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 3.44Å; E30-L46 HydrophobicContact CB-CD2 3.81Å; E30-L46 HydrophobicContact CG-CD2 3.78Å; E30-L48 HydrophobicContact CG-CB 3.79Å; E30-L48 WeakPolarHBondContact OE1-CB 3.32Å; E30-R50 IonicContact OE1-CZ 3.34Å; E30-R50 IonicContact OE1-NE 2.68Å; E30-R50 PolarHBondContact OE1-NE 3.3Å; E30-R50 IonicContact OE1-NH2 2.7Å; E30-R50 PolarHBondContact OE1-NH2 3.32Å; E30-R50 IonicContact OE2-CZ 2.69Å; E30-R50 IonicContact OE2-NE 3.64Å; E30-R50 IonicContact OE2-NH2 3.55Å; E30-R50 PolarHBondContact OE2-NH2 3.18Å
31N94.1Very high94.6Very high122 Ų12261.3 Ų61.365%0.65229%0.294SS*.Hα-helixtrans-70.5-51.7-179.7-70-5000111.5F29 M33 F34 E35F29-N31 VanDerWaalsContact C-N 3.27Å; F29-N31 PolarHBondContact O-N 2.96Å; N31-M33 VanDerWaalsContact C-N 3.29Å; N31-M33 PolarHBondContact O-N 3.2Å; N31-F34 PolarHBondContact O-N 3.28Å; N31-F34 VanDerWaalsContact O-N 3.09Å; N31-E35 PolarHBondContact O-N 3.09Å
32E94.4Very high94.6Very high80 Ų8067.9 Ų67.937%0.37432%0.322SS..Hα-helixtrans-63.6-39.7179.6-58.976.4-168.800110.5F28 F29 Y36F28-E32 HydrophobicContact CD2-CB 3.83Å; F28-E32 HydrophobicContact CE2-CB 3.92Å; F29-E32 VanDerWaalsContact C-OE2 3.28Å; F29-E32 WeakPolarHBondContact CA-OE2 3.42Å; F29-E32 WeakPolarHBondContact CB-OE2 3.47Å; F29-E32 PolarHBondContact N-OE2 3.24Å; F29-E32 PolarHBondContact O-N 2.9Å; E32-Y36 WeakPolarHBondContact O-CB 3.49Å; E32-Y36 PolarHBondContact O-N 3.11Å
33M95.5Very high94.6Very high0 Ų063.3 Ų63.30%031%0.306CS..Hα-helixtrans-62.7-42.9173.1-74-178.27300111.7I24 F28 F29 N31 Y36 F37 L46 L48 A61 V63I24-M33 HydrophobicContact CD1-CE 3.91Å; I24-M33 HydrophobicContact CD1-SD 4.06Å; F28-M33 HydrophobicContact CD1-CG 3.4Å; F28-M33 HydrophobicContact CD1-SD 4.47Å; F28-M33 HydrophobicContact CE1-CB 4.21Å; F28-M33 HydrophobicContact CE1-CG 3.42Å; F28-M33 VanDerWaalsContact CE1-CG 3.42Å; F28-M33 HydrophobicContact CG-CG 4.23Å; F28-M33 HydrophobicContact CZ-CG 4.23Å; F29-M33 WeakPolarHBondContact O-CB 3.33Å; F29-M33 WeakPolarHBondContact O-CG 3.27Å; F29-M33 PolarHBondContact O-N 3.49Å; N31-M33 VanDerWaalsContact C-N 3.29Å; N31-M33 PolarHBondContact O-N 3.2Å; M33-Y36 PolarHBondContact O-N 2.94Å; M33-F37 HydrophobicContact CB-CD2 4.16Å; M33-F37 HydrophobicContact CB-CE2 4.31Å; M33-F37 HydrophobicContact CE-CD2 4.3Å; M33-F37 HydrophobicContact CE-CE2 3.72Å; M33-F37 HydrophobicContact CG-CE2 4.4Å; M33-F37 WeakPolarHBondContact O-CB 3.34Å; M33-F37 WeakPolarHBondContact O-CD2 3.48Å; M33-F37 PolarHBondContact O-N 2.91Å; M33-L46 HydrophobicContact CB-CD1 3.68Å; M33-L46 HydrophobicContact CB-CD2 4.4Å; M33-L46 HydrophobicContact CE-CD1 4.29Å; M33-L46 HydrophobicContact SD-CD2 4.38Å; M33-L48 HydrophobicContact SD-CD1 4.3Å; M33-A61 HydrophobicContact CE-CB 3.35Å; M33-A61 HydrophobicContact SD-CB 3.97Å; M33-V63 HydrophobicContact CE-CG2 3.99Å
34F95.5Very high94.6Very high88 Ų8858.7 Ų58.739%0.38629%0.294SS..Hα-helixtrans-63.9-47.7-178.8-170.9-89.6000111.1E30 N31 S38 V43 L46E30-F34 VanDerWaalsContact O-CB 3.22Å; E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 3.44Å; N31-F34 PolarHBondContact O-N 3.28Å; N31-F34 VanDerWaalsContact O-N 3.09Å; F34-S38 VanDerWaalsContact O-CB 3.24Å; F34-S38 WeakPolarHBondContact O-CB 3.18Å; F34-S38 PolarHBondContact O-N 2.85Å; F34-S38 PolarHBondContact O-OG 3.19Å; F34-V43 HydrophobicContact CD2-CB 4.08Å; F34-V43 HydrophobicContact CD2-CG1 3.86Å; F34-V43 HydrophobicContact CE2-CB 3.74Å; F34-V43 HydrophobicContact CE2-CG1 3.78Å; F34-V43 HydrophobicContact CZ-CB 4.37Å; F34-L46 HydrophobicContact CB-CD1 4.48Å
35E96Very high94.6Very high149 Ų14962.1 Ų62.170%0.69631%0.306SS*.Hα-helixtrans-59.3-48.6175.5-71177.2-173.300111.2N31 S38N31-E35 PolarHBondContact O-N 3.09Å; E35-S38 PolarHBondContact O-N 3.5Å
36Y94.7Very high94.7Very high55 Ų5562 Ų6222%0.21631%0.305CS..Hα-helixtrans-63.5-49.6-179-174.2-94.4000112.5F28 E32 M33 S38 Q39 F40 M78F28-Y36 HydrophobicContact CZ-CD1 4.14Å; F28-Y36 AromaticContact CZ-CG 3.88Å; F28-Y36 HydrophobicContact CZ-CG 3.88Å; E32-Y36 WeakPolarHBondContact O-CB 3.49Å; E32-Y36 PolarHBondContact O-N 3.11Å; M33-Y36 PolarHBondContact O-N 2.94Å; Y36-S38 VanDerWaalsContact C-N 3.27Å; Y36-S38 PolarHBondContact O-N 2.85Å; Y36-Q39 VanDerWaalsContact CE2-NE2 3.32Å; Y36-Q39 WeakPolarHBondContact O-CG 3.49Å; Y36-Q39 PolarHBondContact O-N 3.37Å; Y36-Q39 PolarHBondContact O-NE2 2.61Å; Y36-F40 HydrophobicContact CD1-CE2 4.44Å; Y36-F40 HydrophobicContact CE1-CE2 4Å; Y36-M78 HydrophobicContact CE1-CE 3.59Å; Y36-M78 HydrophobicContact CE1-SD 4.09Å; Y36-M78 VanDerWaalsContact OH-CE 3.28Å; Y36-M78 WeakPolarHBondContact OH-CE 3.41Å
37F96Very high95.1Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-72.6-21.8-177.7-74.3-64.5000113V21 F28 M33 Q39 F40 V43 V63 F65 V74 M78V21-F37 HydrophobicContact CG1-CZ 4.49Å; V21-F37 HydrophobicContact CG2-CE2 4.36Å; V21-F37 HydrophobicContact CG2-CZ 3.89Å; F28-F37 HydrophobicContact CE1-CE2 4.43Å; M33-F37 HydrophobicContact CB-CD2 4.16Å; M33-F37 HydrophobicContact CB-CE2 4.31Å; M33-F37 HydrophobicContact CE-CD2 4.3Å; M33-F37 HydrophobicContact CE-CE2 3.72Å; M33-F37 HydrophobicContact CG-CE2 4.4Å; M33-F37 WeakPolarHBondContact O-CB 3.34Å; M33-F37 WeakPolarHBondContact O-CD2 3.48Å; M33-F37 PolarHBondContact O-N 2.91Å; F37-Q39 PolarHBondContact O-N 3.24Å; F37-F40 HydrophobicContact CD1-CD2 4.19Å; F37-F40 HydrophobicContact CD1-CE2 4.24Å; F37-F40 PolarHBondContact O-N 3.09Å; F37-F40 VanDerWaalsContact O-N 3.17Å; F37-V43 HydrophobicContact CB-CG2 3.9Å; F37-V63 HydrophobicContact CB-CG1 4.32Å; F37-V63 HydrophobicContact CD2-CG2 4.01Å; F37-V63 HydrophobicContact CE2-CG2 4.16Å; F37-V63 HydrophobicContact CG-CG1 4.39Å; F37-F65 HydrophobicContact CB-CE1 4.26Å; F37-F65 HydrophobicContact CB-CZ 3.96Å; F37-F65 HydrophobicContact CD1-CZ 4.13Å; F37-F65 HydrophobicContact CG-CZ 4.31Å; F37-V74 HydrophobicContact CD1-CG1 3.91Å; F37-V74 HydrophobicContact CE1-CG1 3.79Å; F37-M78 HydrophobicContact CE1-CG 4.45Å
38S96.6Very high95.5Very high45 Ų4557.7 Ų57.732%0.31528%0.277SS..Hα-helixtrans-62.6-20.8176-67.40000113.5F34 E35 Y36 F40 G41F34-S38 VanDerWaalsContact O-CB 3.24Å; F34-S38 WeakPolarHBondContact O-CB 3.18Å; F34-S38 PolarHBondContact O-N 2.85Å; F34-S38 PolarHBondContact O-OG 3.19Å; E35-S38 PolarHBondContact O-N 3.5Å; Y36-S38 VanDerWaalsContact C-N 3.27Å; Y36-S38 PolarHBondContact O-N 2.85Å; S38-F40 PolarHBondContact O-N 2.81Å; S38-G41 WeakPolarHBondContact CA-O 3.11Å; S38-G41 PolarHBondContact O-N 2.93Å
39Q96.3Very high95.5Very high127 Ų12758.3 Ų58.359%0.59328%0.281SS*.THydrogen-bonded Turntrans-65.1-2717683.4-170.2-74.100113.3Y36 F37Y36-Q39 VanDerWaalsContact CE2-NE2 3.32Å; Y36-Q39 WeakPolarHBondContact O-CG 3.49Å; Y36-Q39 PolarHBondContact O-N 3.37Å; Y36-Q39 PolarHBondContact O-NE2 2.61Å; F37-Q39 PolarHBondContact O-N 3.24Å
40F95.2Very high95.6Very high56 Ų5658.6 Ų58.625%0.24628%0.281CS..THydrogen-bonded Turntrans-86-23.2179.2-59.2-78.9000112.2Y36 F37 S38 V70 V74 M78Y36-F40 HydrophobicContact CD1-CE2 4.44Å; Y36-F40 HydrophobicContact CE1-CE2 4Å; F37-F40 HydrophobicContact CD1-CD2 4.19Å; F37-F40 HydrophobicContact CD1-CE2 4.24Å; F37-F40 PolarHBondContact O-N 3.09Å; F37-F40 VanDerWaalsContact O-N 3.17Å; S38-F40 PolarHBondContact O-N 2.81Å; F40-V70 HydrophobicContact CB-CG1 4Å; F40-V70 VanDerWaalsContact O-CG1 3.31Å; F40-V70 WeakPolarHBondContact O-CG1 3.44Å; F40-V74 HydrophobicContact CB-CG2 3.49Å; F40-V74 VanDerWaalsContact CB-CG2 3.49Å; F40-V74 HydrophobicContact CD1-CG2 4.03Å; F40-V74 HydrophobicContact CD2-CG2 3.78Å; F40-V74 HydrophobicContact CG-CG2 3.5Å; F40-V74 VanDerWaalsContact CG-CG2 3.5Å; F40-M78 HydrophobicContact CE2-CG 4.33Å; F40-M78 HydrophobicContact CE2-SD 4.3Å; F40-M78 HydrophobicContact CZ-CG 4.06Å; F40-M78 HydrophobicContact CZ-SD 3.78Å
41G96Very high95.6Very high21 Ų2157.7 Ų57.722%0.21628%0.28CS..SBendtrans158.3176.5-179.300000112.3S38 V43S38-G41 WeakPolarHBondContact CA-O 3.11Å; S38-G41 PolarHBondContact O-N 2.93Å; G41-V43 PolarHBondContact O-N 2.98Å
42K97.5Very high95.5Very high140 Ų14059.9 Ų59.961%0.60929%0.287SS*.  trans-65.1116.8-176.4-170.9178.3-172.5174.30111.9Q66K42-Q66 HydrophobicContact CB-CB 4.16Å; K42-Q66 VanDerWaalsContact CD-OE1 3.25Å; K42-Q66 PolarHBondContact O-N 2.87Å
43V97.2Very high95.4Very high8 Ų862 Ų625%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-82.7124.8171.2179.90000109.4F34 F37 G41 L46 V63 E64 F65F34-V43 HydrophobicContact CD2-CB 4.08Å; F34-V43 HydrophobicContact CD2-CG1 3.86Å; F34-V43 HydrophobicContact CE2-CB 3.74Å; F34-V43 HydrophobicContact CE2-CG1 3.78Å; F34-V43 HydrophobicContact CZ-CB 4.37Å; F37-V43 HydrophobicContact CB-CG2 3.9Å; G41-V43 PolarHBondContact O-N 2.98Å; V43-L46 HydrophobicContact CG1-CB 4.22Å; V43-V63 HydrophobicContact CG1-CG1 3.84Å; V43-V63 HydrophobicContact CG2-CG1 4.15Å; V43-E64 CarbonylContact C-O 3.5Å; V43-E64 WeakPolarHBondContact CA-O 3.5Å; V43-F65 HydrophobicContact CG2-CD1 4.09Å; V43-F65 HydrophobicContact CG2-CE1 3.7Å; V43-F65 HydrophobicContact CG2-CZ 4.36Å
44T95Very high95.3Very high51 Ų5162.5 Ų62.531%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-94.3-43.7-17949.70000112.2E64 Q66T44-E64 PolarHBondContact N-O 3.1Å; T44-E64 WeakPolarHBondContact OG1-CB 3.45Å; T44-E64 WeakPolarHBondContact OG1-CG 3.41Å; T44-E64 PolarHBondContact OG1-O 3.17Å; T44-E64 VanDerWaalsContact OG1-O 3.14Å; T44-E64 PolarHBondContact OG1-OE2 2.97Å; T44-Q66 HydrophobicContact CG2-CB 4.08Å
45R95.1Very high95.2Very high82 Ų8258.7 Ų58.731%0.30928%0.284SS..EExtended strand (participates in β ladder)trans-140.6140.2178.3-62.2-175.4-70.7-174.7-4.3109.8E64 F103 W106R45-E64 HydrophobicContact CB-CB 4.05Å; R45-E64 WeakPolarHBondContact CG-OE2 3.37Å; R45-E64 IonicContact CZ-OE1 2.86Å; R45-E64 IonicContact CZ-OE2 3.76Å; R45-E64 IonicContact NE-OE1 3.56Å; R45-E64 IonicContact NE-OE2 3.4Å; R45-E64 PolarHBondContact NE-OE2 3.4Å; R45-E64 VanDerWaalsContact NH2-CD 3.28Å; R45-E64 IonicContact NH2-OE1 3.84Å; R45-E64 PolarHBondContact NH2-OE1 3.45Å; R45-E64 IonicContact NH2-OE2 2.91Å; R45-E64 PolarHBondContact NH2-OE2 3.07Å; R45-E64 PolarHBondContact O-N 3.04Å; R45-F103 HydrophobicContact CB-CD1 3.57Å; R45-F103 HydrophobicContact CB-CE1 3.76Å; R45-F103 HydrophobicContact CB-CG 4Å; R45-F103 HydrophobicContact CB-CZ 4.32Å; R45-F103 VanDerWaalsContact CZ-CD2 3.42Å; R45-W106 HydrophobicContact CB-CD2 4.38Å; R45-W106 HydrophobicContact CB-CZ2 4.2Å; R45-W106 HydrophobicContact CG-CZ2 3.92Å
46L96Very high95.1Very high4 Ų456 Ų562%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-137.1128.6176.1-173.7148.1000109.5E30 M33 F34 V43 F62 V63E30-L46 HydrophobicContact CB-CD2 3.81Å; E30-L46 HydrophobicContact CG-CD2 3.78Å; M33-L46 HydrophobicContact CB-CD1 3.68Å; M33-L46 HydrophobicContact CB-CD2 4.4Å; M33-L46 HydrophobicContact CE-CD1 4.29Å; M33-L46 HydrophobicContact SD-CD2 4.38Å; F34-L46 HydrophobicContact CB-CD1 4.48Å; V43-L46 HydrophobicContact CG1-CB 4.22Å; L46-F62 CarbonylContact C-O 3.59Å; L46-F62 WeakPolarHBondContact CA-O 3.34Å; L46-V63 HydrophobicContact CD1-CG1 4.33Å; L46-V63 HydrophobicContact CD1-CG2 3.95Å; L46-V63 HydrophobicContact CG-CG2 4.2Å
47K95.8Very high95.1Very high45 Ų4554.3 Ų54.320%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-134114.3177.5-170.5179.4-179.21710111I49 A61 F62 L102 F103 K104 W106K47-I49 HydrophobicContact CD-CD1 4.22Å; K47-I49 HydrophobicContact CG-CD1 4.31Å; K47-A61 CarbonylContact O-C 3.59Å; K47-A61 WeakPolarHBondContact O-CA 3.33Å; K47-A61 WeakPolarHBondContact O-CB 3.34Å; K47-F62 PolarHBondContact N-O 2.93Å; K47-F62 PolarHBondContact O-N 3.34Å; K47-L102 WeakPolarHBondContact CD-O 2.99Å; K47-L102 WeakPolarHBondContact CE-O 3.25Å; K47-L102 PolarHBondContact NZ-O 3.44Å; K47-F103 HydrophobicContact CB-CD1 4.03Å; K47-F103 HydrophobicContact CB-CE1 4.34Å; K47-K104 WeakPolarHBondContact CE-O 3.48Å; K47-K104 PolarHBondContact NZ-O 3.22Å; K47-W106 HydrophobicContact CB-CB 3.96Å; K47-W106 HydrophobicContact CD-CB 4.23Å; K47-W106 HydrophobicContact CG-CB 4.13Å
48L96.2Very high95Very high6 Ų663.2 Ų63.23%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-83.4125.6166.8-176.465.9000109.5I24 F29 E30 M33 R50 A61I24-L48 HydrophobicContact CD1-CD1 3.82Å; F29-L48 HydrophobicContact CD1-CD2 3.73Å; E30-L48 HydrophobicContact CG-CB 3.79Å; E30-L48 WeakPolarHBondContact OE1-CB 3.32Å; M33-L48 HydrophobicContact SD-CD1 4.3Å; L48-R50 PolarHBondContact O-N 3.38Å; L48-A61 HydrophobicContact CB-CB 4.45Å; L48-A61 HydrophobicContact CD1-CB 3.85Å
49I95.1Very high94.9Very high39 Ų3961.7 Ų61.720%0.229%0.288CS..EExtended strand (participates in β ladder)trans-76.5122.3-179.6-57-57.2000109.4K47 R58 T60 F62K47-I49 HydrophobicContact CD-CD1 4.22Å; K47-I49 HydrophobicContact CG-CD1 4.31Å; I49-R58 HydrophobicContact CG2-CB 4.39Å; I49-R58 HydrophobicContact CG2-CG 4.35Å; I49-R58 PolarHBondContact O-N 3.48Å; I49-T60 VanDerWaalsContact CB-O 3.3Å; I49-T60 WeakPolarHBondContact CB-O 3.19Å; I49-T60 WeakPolarHBondContact CG1-O 3.28Å; I49-T60 PolarHBondContact N-O 3.37Å; I49-F62 HydrophobicContact CD1-CD2 3.86Å; I49-F62 HydrophobicContact CD1-CE2 3.75Å; I49-F62 HydrophobicContact CG1-CD2 3.97Å; I49-F62 HydrophobicContact CG1-CE2 3.68Å
50R94.8Very high94.9Very high60 Ų6057 Ų5723%0.22627%0.268CS..EExtended strand (participates in β ladder)trans-117.5152.9178.8-66.3170.5179.1-94.32.8110.4E30 L48 E52 G55 R56 V110E30-R50 IonicContact OE1-CZ 3.34Å; E30-R50 IonicContact OE1-NE 2.68Å; E30-R50 PolarHBondContact OE1-NE 3.3Å; E30-R50 IonicContact OE1-NH2 2.7Å; E30-R50 PolarHBondContact OE1-NH2 3.32Å; E30-R50 IonicContact OE2-CZ 2.69Å; E30-R50 IonicContact OE2-NE 3.64Å; E30-R50 IonicContact OE2-NH2 3.55Å; E30-R50 PolarHBondContact OE2-NH2 3.18Å; L48-R50 PolarHBondContact O-N 3.38Å; R50-E52 PolarHBondContact O-N 3.22Å; R50-G55 PolarHBondContact NH1-O 3.38Å; R50-R56 CarbonylContact C-O 3.59Å; R50-R56 VanDerWaalsContact CA-O 3.3Å; R50-R56 WeakPolarHBondContact CA-O 3.35Å; R50-V110 HydrophobicContact CB-CB 4.1Å; R50-V110 HydrophobicContact CB-CG1 4.29Å; R50-V110 HydrophobicContact CB-CG2 4.2Å
51S94.2Very high95Very high34 Ų3454.3 Ų54.324%0.23826%0.256CS..  trans-68123.1170.7167.90000109.5K53 T54 G55 R56S51-K53 PolarHBondContact O-N 3.26Å; S51-K53 PolarHBondContact OG-N 2.94Å; S51-T54 VanDerWaalsContact CB-OG1 3.25Å; S51-T54 WeakPolarHBondContact CB-OG1 3.31Å; S51-T54 PolarHBondContact O-N 2.93Å; S51-T54 PolarHBondContact OG-N 3.15Å; S51-T54 PolarHBondContact OG-OG1 2.83Å; S51-T54 VanDerWaalsContact OG-OG1 3.07Å; S51-G55 VanDerWaalsContact O-CA 3.28Å; S51-G55 WeakPolarHBondContact O-CA 3.5Å; S51-G55 PolarHBondContact O-N 3.43Å; S51-R56 PolarHBondContact N-O 3.18Å
52E91.9Very high95.1Very high168 Ų16854.5 Ų54.579%0.78525%0.251SS*.THydrogen-bonded Turntrans-61.3-29.6175.7-65.6-179.5167.900112.3R50 G112R50-E52 PolarHBondContact O-N 3.22Å; E52-G112 WeakPolarHBondContact O-CA 3.47Å
53K93.5Very high95Very high123 Ų12347.9 Ų47.954%0.53522%0.222SC..THydrogen-bonded Turntrans-75.4-35.2-179.6-62.6-175.4-178.81800112.8S51 H113 Y119 V120S51-K53 PolarHBondContact O-N 3.26Å; S51-K53 PolarHBondContact OG-N 2.94Å; K53-H113 WeakPolarHBondContact O-CB 3.4Å; K53-H113 PolarHBondContact O-N 3.33Å; K53-Y119 HydrophobicContact CB-CE1 4.23Å; K53-V120 WeakPolarHBondContact O-CG2 3.24Å
54T93.5Very high95Very high11 Ų1148.5 Ų48.57%0.06723%0.225CC..THydrogen-bonded Turntrans-124.3-8.9-168.961.80000114.7S51 R56 Y119 A123 N124S51-T54 VanDerWaalsContact CB-OG1 3.25Å; S51-T54 WeakPolarHBondContact CB-OG1 3.31Å; S51-T54 PolarHBondContact O-N 2.93Å; S51-T54 PolarHBondContact OG-N 3.15Å; S51-T54 PolarHBondContact OG-OG1 2.83Å; S51-T54 VanDerWaalsContact OG-OG1 3.07Å; T54-R56 PolarHBondContact O-N 3.38Å; T54-R56 WeakPolarHBondContact OG1-CB 3.48Å; T54-Y119 HydrophobicContact CG2-CD1 4.26Å; T54-Y119 HydrophobicContact CG2-CE1 3.46Å; T54-Y119 VanDerWaalsContact CG2-CE1 3.46Å; T54-A123 HydrophobicContact CG2-CB 3.59Å; T54-N124 PolarHBondContact O-ND2 3.49Å
55G92.9Very high95.1Very high9 Ų946.1 Ų46.19%0.09321%0.21CC..  trans68-4.1-172.300000114.6R50 S51R50-G55 PolarHBondContact NH1-O 3.38Å; S51-G55 VanDerWaalsContact O-CA 3.28Å; S51-G55 WeakPolarHBondContact O-CA 3.5Å; S51-G55 PolarHBondContact O-N 3.43Å
56R93Very high95.1Very high93 Ų9348.5 Ų48.535%0.35123%0.225SC..  trans-68.2134.7-178.2-163.7175.6166.681.26.2110.7R50 S51 T54 N124R50-R56 CarbonylContact C-O 3.59Å; R50-R56 VanDerWaalsContact CA-O 3.3Å; R50-R56 WeakPolarHBondContact CA-O 3.35Å; S51-R56 PolarHBondContact N-O 3.18Å; T54-R56 PolarHBondContact O-N 3.38Å; T54-R56 WeakPolarHBondContact OG1-CB 3.48Å; R56-N124 WeakPolarHBondContact CB-OD1 3.48Å
57S94.4Very high95Very high19 Ų1950.8 Ų50.813%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-57.1137.8170.5175.50000111.1G59S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact OG-N 2.93Å
58R94.7Very high94.9Very high187 Ų18749.4 Ų49.471%0.70624%0.237SC*.EExtended strand (participates in β ladder)trans-88.55.4171.8-62.3-171.771.3-1800.9112.4I49 T60I49-R58 HydrophobicContact CG2-CB 4.39Å; I49-R58 HydrophobicContact CG2-CG 4.35Å; I49-R58 PolarHBondContact O-N 3.48Å; R58-T60 PolarHBondContact O-N 2.89Å
59G94.8Very high94.8Very high13 Ų1356 Ų5613%0.13427%0.265CS..EExtended strand (participates in β ladder)trans66.627-178.900000113.1R22 R23 I24 S57R22-G59 CarbonylContact C-O 3.58Å; R23-G59 PolarHBondContact N-O 3Å; I24-G59 PolarHBondContact N-O 3.45Å; I24-G59 VanDerWaalsContact N-O 3.12Å; S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact OG-N 2.93Å
60T96.8Very high94.8Very high28 Ų2855.3 Ų55.317%0.17226%0.263CS..EExtended strand (participates in β ladder)trans-135.9135.5175.7-60.50000109R20 V21 R22 I49 R58R20-T60 HydrophobicContact CG-CG2 4.25Å; V21-T60 CarbonylContact O-C 3.53Å; V21-T60 VanDerWaalsContact O-CA 3.23Å; V21-T60 WeakPolarHBondContact O-CA 3.17Å; R22-T60 HydrophobicContact CG-CG2 3.98Å; I49-T60 VanDerWaalsContact CB-O 3.3Å; I49-T60 WeakPolarHBondContact CB-O 3.19Å; I49-T60 WeakPolarHBondContact CG1-O 3.28Å; I49-T60 PolarHBondContact N-O 3.37Å; R58-T60 PolarHBondContact O-N 2.89Å
61A97.2Very high94.8Very high0 Ų052.5 Ų52.50%025%0.252CS..EExtended strand (participates in β ladder)trans-136.5162.817700000111.6R20 V21 I24 M33 K47 L48R20-A61 WeakPolarHBondContact CA-O 3.32Å; V21-A61 PolarHBondContact N-O 3.19Å; V21-A61 PolarHBondContact O-N 2.94Å; I24-A61 HydrophobicContact CD1-CB 3.41Å; I24-A61 VanDerWaalsContact CD1-CB 3.41Å; M33-A61 HydrophobicContact CE-CB 3.35Å; M33-A61 HydrophobicContact SD-CB 3.97Å; K47-A61 CarbonylContact O-C 3.59Å; K47-A61 WeakPolarHBondContact O-CA 3.33Å; K47-A61 WeakPolarHBondContact O-CB 3.34Å; L48-A61 HydrophobicContact CB-CB 4.45Å; L48-A61 HydrophobicContact CD1-CB 3.85Å
62F96.7Very high94.9Very high25 Ų2555.7 Ų55.711%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-120.4128.7171.3-61-83.3000108.5V18 V19 R20 L46 K47 I49 L93 L102 F103V18-F62 HydrophobicContact CG1-CB 4.19Å; V18-F62 HydrophobicContact CG1-CD1 4.24Å; V19-F62 WeakPolarHBondContact O-CA 2.97Å; R20-F62 HydrophobicContact CB-CD1 4.09Å; R20-F62 HydrophobicContact CB-CE1 3.96Å; R20-F62 HydrophobicContact CG-CD1 4.22Å; R20-F62 HydrophobicContact CG-CE1 3.77Å; R20-F62 HydrophobicContact CG-CZ 4.34Å; L46-F62 CarbonylContact C-O 3.59Å; L46-F62 WeakPolarHBondContact CA-O 3.34Å; K47-F62 PolarHBondContact N-O 2.93Å; K47-F62 PolarHBondContact O-N 3.34Å; I49-F62 HydrophobicContact CD1-CD2 3.86Å; I49-F62 HydrophobicContact CD1-CE2 3.75Å; I49-F62 HydrophobicContact CG1-CD2 3.97Å; I49-F62 HydrophobicContact CG1-CE2 3.68Å; F62-L93 HydrophobicContact CD1-CD2 4.09Å; F62-L93 HydrophobicContact CE1-CD1 4.18Å; F62-L93 HydrophobicContact CE1-CD2 3.83Å; F62-L102 HydrophobicContact CB-CD2 4.35Å; F62-L102 HydrophobicContact CD1-CD1 4.09Å; F62-L102 HydrophobicContact CD1-CD2 4Å; F62-L102 HydrophobicContact CD1-CG 4.44Å; F62-L102 HydrophobicContact CD2-CD1 3.8Å; F62-L102 HydrophobicContact CD2-CG 4.31Å; F62-L102 HydrophobicContact CE1-CD1 3.99Å; F62-L102 HydrophobicContact CE1-CD2 4.48Å; F62-L102 HydrophobicContact CE2-CD1 3.69Å; F62-L102 HydrophobicContact CG-CD1 3.99Å; F62-L102 HydrophobicContact CG-CD2 4.1Å; F62-L102 HydrophobicContact CG-CG 4.18Å; F62-L102 HydrophobicContact CZ-CD1 3.79Å; F62-F103 HydrophobicContact CB-CE1 4Å; F62-F103 HydrophobicContact CB-CZ 3.98Å
63V97.2Very high95Very high0 Ų051.6 Ų51.60%025%0.246CC..EExtended strand (participates in β ladder)trans-120.9119.1179.4-1730000107.2V18 V19 V21 M33 F37 V43 L46 F65V18-V63 CarbonylContact C-O 3.49Å; V18-V63 WeakPolarHBondContact CA-O 3.27Å; V19-V63 PolarHBondContact N-O 3.2Å; V19-V63 PolarHBondContact O-N 3.29Å; V21-V63 HydrophobicContact CG2-CG2 4.24Å; M33-V63 HydrophobicContact CE-CG2 3.99Å; F37-V63 HydrophobicContact CB-CG1 4.32Å; F37-V63 HydrophobicContact CD2-CG2 4.01Å; F37-V63 HydrophobicContact CE2-CG2 4.16Å; F37-V63 HydrophobicContact CG-CG1 4.39Å; V43-V63 HydrophobicContact CG1-CG1 3.84Å; V43-V63 HydrophobicContact CG2-CG1 4.15Å; L46-V63 HydrophobicContact CD1-CG1 4.33Å; L46-V63 HydrophobicContact CD1-CG2 3.95Å; L46-V63 HydrophobicContact CG-CG2 4.2Å; V63-F65 HydrophobicContact CB-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CD2 4.27Å; V63-F65 HydrophobicContact CG1-CE1 4.4Å; V63-F65 HydrophobicContact CG1-CE2 3.65Å; V63-F65 HydrophobicContact CG1-CZ 3.73Å
64E95.9Very high95.2Very high22 Ų2245.7 Ų45.710%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-97.5129.3172.5-170.4-171-134.700109.7N17 V18 V43 T44 R45 F103N17-E64 WeakPolarHBondContact ND2-CG 3.47Å; N17-E64 PolarHBondContact ND2-OE1 3.45Å; N17-E64 CarbonylContact O-C 3.53Å; N17-E64 WeakPolarHBondContact O-CA 3.47Å; V18-E64 HydrophobicContact CG2-CB 4.07Å; V18-E64 HydrophobicContact CG2-CG 3.92Å; V43-E64 CarbonylContact C-O 3.5Å; V43-E64 WeakPolarHBondContact CA-O 3.5Å; T44-E64 PolarHBondContact N-O 3.1Å; T44-E64 WeakPolarHBondContact OG1-CB 3.45Å; T44-E64 WeakPolarHBondContact OG1-CG 3.41Å; T44-E64 PolarHBondContact OG1-O 3.17Å; T44-E64 VanDerWaalsContact OG1-O 3.14Å; T44-E64 PolarHBondContact OG1-OE2 2.97Å; R45-E64 HydrophobicContact CB-CB 4.05Å; R45-E64 WeakPolarHBondContact CG-OE2 3.37Å; R45-E64 IonicContact CZ-OE1 2.86Å; R45-E64 IonicContact CZ-OE2 3.76Å; R45-E64 IonicContact NE-OE1 3.56Å; R45-E64 IonicContact NE-OE2 3.4Å; R45-E64 PolarHBondContact NE-OE2 3.4Å; R45-E64 VanDerWaalsContact NH2-CD 3.28Å; R45-E64 IonicContact NH2-OE1 3.84Å; R45-E64 PolarHBondContact NH2-OE1 3.45Å; R45-E64 IonicContact NH2-OE2 2.91Å; R45-E64 PolarHBondContact NH2-OE2 3.07Å; R45-E64 PolarHBondContact O-N 3.04Å; E64-F103 HydrophobicContact CB-CE1 4.38Å; E64-F103 HydrophobicContact CB-CE2 4.17Å; E64-F103 HydrophobicContact CB-CZ 3.74Å
65F96.8Very high95.3Very high0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-101.2156.7173.3-68.7-83.9000110.8N17 V19 F37 V43 V63 S67 V70 A71 V74N17-F65 WeakPolarHBondContact CB-O 3.44Å; N17-F65 PolarHBondContact ND2-O 3.24Å; N17-F65 PolarHBondContact O-N 2.79Å; V19-F65 HydrophobicContact CB-CE2 4.38Å; V19-F65 HydrophobicContact CG2-CD2 4.06Å; V19-F65 HydrophobicContact CG2-CE2 3.85Å; F37-F65 HydrophobicContact CB-CE1 4.26Å; F37-F65 HydrophobicContact CB-CZ 3.96Å; F37-F65 HydrophobicContact CD1-CZ 4.13Å; F37-F65 HydrophobicContact CG-CZ 4.31Å; V43-F65 HydrophobicContact CG2-CD1 4.09Å; V43-F65 HydrophobicContact CG2-CE1 3.7Å; V43-F65 HydrophobicContact CG2-CZ 4.36Å; V63-F65 HydrophobicContact CB-CE2 4.17Å; V63-F65 HydrophobicContact CG1-CD2 4.27Å; V63-F65 HydrophobicContact CG1-CE1 4.4Å; V63-F65 HydrophobicContact CG1-CE2 3.65Å; V63-F65 HydrophobicContact CG1-CZ 3.73Å; F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.95Å; F65-V70 HydrophobicContact CB-CB 4.44Å; F65-V70 HydrophobicContact CB-CG1 4.38Å; F65-V70 HydrophobicContact CD1-CB 4.5Å; F65-V70 HydrophobicContact CD1-CG1 3.59Å; F65-V70 HydrophobicContact CE1-CG1 3.97Å; F65-V70 HydrophobicContact CG-CB 4.5Å; F65-V70 HydrophobicContact CG-CG1 3.95Å; F65-A71 HydrophobicContact CD2-CB 4.06Å; F65-V74 HydrophobicContact CE1-CG2 4.3Å; F65-V74 HydrophobicContact CE2-CB 4.22Å; F65-V74 HydrophobicContact CE2-CG1 4.16Å; F65-V74 HydrophobicContact CE2-CG2 4.09Å; F65-V74 HydrophobicContact CZ-CB 4.3Å; F65-V74 HydrophobicContact CZ-CG1 4.16Å; F65-V74 HydrophobicContact CZ-CG2 3.74Å
66Q95.2Very high95.4Very high133 Ų13349.3 Ų49.362%0.62125%0.246SC*.SBendtrans-65.4-32.3171.2-172.517716.100112.2K42 T44K42-Q66 HydrophobicContact CB-CB 4.16Å; K42-Q66 VanDerWaalsContact CD-OE1 3.25Å; K42-Q66 PolarHBondContact O-N 2.87Å; T44-Q66 HydrophobicContact CG2-CB 4.08Å
67S94.2Very high95.5Very high51 Ų5148.9 Ų48.936%0.35725%0.253SS..  trans-115.6131.4-178.3174.70000110.9F65 K69 V70 A71F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.95Å; S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 2.88Å; S67-K69 PolarHBondContact OG-N 2.84Å; S67-V70 PolarHBondContact O-N 2.89Å; S67-A71 PolarHBondContact O-N 3.46Å
68S93.5Very high95.5Very high16 Ų1648.2 Ų48.211%0.11225%0.248CC..Hα-helixtrans-62.7-36.6173.450.50000112.7M15 V70 A71 E72M15-S68 WeakPolarHBondContact CB-OG 3.36Å; M15-S68 WeakPolarHBondContact CE-OG 3.35Å; M15-S68 PolarHBondContact SD-OG 3.21Å; S68-V70 VanDerWaalsContact C-N 3.27Å; S68-V70 PolarHBondContact O-N 2.77Å; S68-A71 WeakPolarHBondContact O-CA 3.48Å; S68-A71 WeakPolarHBondContact O-CB 3.31Å; S68-A71 PolarHBondContact O-N 2.92Å; S68-E72 PolarHBondContact O-N 3.02Å
69K93.9Very high95.5Very high144 Ų14442.1 Ų42.163%0.62623%0.23SC*.Hα-helixtrans-63-36.6177.3-167.2164.9-175.2173.70111.8S67 E72 I73S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 2.88Å; S67-K69 PolarHBondContact OG-N 2.84Å; K69-E72 PolarHBondContact O-N 3.48Å; K69-I73 HydrophobicContact CG-CD1 4.37Å; K69-I73 WeakPolarHBondContact O-CD1 3.37Å; K69-I73 VanDerWaalsContact O-CG1 3.27Å; K69-I73 WeakPolarHBondContact O-CG1 3.1Å; K69-I73 PolarHBondContact O-N 2.96Å; K69-I73 VanDerWaalsContact O-N 3.09Å
70V95.3Very high95.5Very high26 Ų2646.8 Ų46.816%0.15825%0.252CS..Hα-helixtrans-65.8-42.4173.1175.70000110.4F40 F65 S67 S68 E72 I73 V74F40-V70 HydrophobicContact CB-CG1 4Å; F40-V70 VanDerWaalsContact O-CG1 3.31Å; F40-V70 WeakPolarHBondContact O-CG1 3.44Å; F65-V70 HydrophobicContact CB-CB 4.44Å; F65-V70 HydrophobicContact CB-CG1 4.38Å; F65-V70 HydrophobicContact CD1-CB 4.5Å; F65-V70 HydrophobicContact CD1-CG1 3.59Å; F65-V70 HydrophobicContact CE1-CG1 3.97Å; F65-V70 HydrophobicContact CG-CB 4.5Å; F65-V70 HydrophobicContact CG-CG1 3.95Å; S67-V70 PolarHBondContact O-N 2.89Å; S68-V70 VanDerWaalsContact C-N 3.27Å; S68-V70 PolarHBondContact O-N 2.77Å; V70-E72 VanDerWaalsContact C-N 3.32Å; V70-E72 PolarHBondContact O-N 3.45Å; V70-I73 PolarHBondContact O-N 3.42Å; V70-V74 HydrophobicContact CG1-CG2 4.19Å; V70-V74 WeakPolarHBondContact O-CB 3.23Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.18Å; V70-V74 PolarHBondContact O-N 2.82Å
71A96Very high95.4Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-59.4-41.9176.900000112.3V19 F65 S67 S68 A75V19-A71 HydrophobicContact CG2-CB 3.67Å; V19-A71 VanDerWaalsContact CG2-O 3.27Å; V19-A71 WeakPolarHBondContact CG2-O 3.28Å; F65-A71 HydrophobicContact CD2-CB 4.06Å; S67-A71 PolarHBondContact O-N 3.46Å; S68-A71 WeakPolarHBondContact O-CA 3.48Å; S68-A71 WeakPolarHBondContact O-CB 3.31Å; S68-A71 PolarHBondContact O-N 2.92Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 3.04Å
72E94.8Very high95.1Very high101 Ų10155.7 Ų55.747%0.47229%0.29SS..Hα-helixtrans-62.3-48.2174.7-72.9177.7-177.400112.4S68 K69 V70 V74 A75 S76 V92S68-E72 PolarHBondContact O-N 3.02Å; K69-E72 PolarHBondContact O-N 3.48Å; V70-E72 VanDerWaalsContact C-N 3.32Å; V70-E72 PolarHBondContact O-N 3.45Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.88Å; E72-A75 PolarHBondContact O-N 3.23Å; E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 3.29Å; E72-V92 HydrophobicContact CG-CG2 4.17Å
73I95Very high94.8Very high82 Ų8255.5 Ų55.542%0.42129%0.29SS..Hα-helixtrans-59.3-46.4177.9-68.2164.2000110.6K69 V70 A75 S76 T77K69-I73 HydrophobicContact CG-CD1 4.37Å; K69-I73 WeakPolarHBondContact O-CD1 3.37Å; K69-I73 VanDerWaalsContact O-CG1 3.27Å; K69-I73 WeakPolarHBondContact O-CG1 3.1Å; K69-I73 PolarHBondContact O-N 2.96Å; K69-I73 VanDerWaalsContact O-N 3.09Å; V70-I73 PolarHBondContact O-N 3.42Å; I73-A75 VanDerWaalsContact C-N 3.32Å; I73-A75 PolarHBondContact O-N 3.37Å; I73-S76 PolarHBondContact O-N 2.98Å; I73-S76 PolarHBondContact O-OG 3.35Å; I73-T77 VanDerWaalsContact O-CB 3.24Å; I73-T77 WeakPolarHBondContact O-CB 3.42Å; I73-T77 PolarHBondContact O-N 3.17Å; I73-T77 PolarHBondContact O-OG1 3.45Å
74V96.5Very high94.2Very high0 Ų061.6 Ų61.60%032%0.322CS..Hα-helixtrans-61.9-44178.2171.30000110.4V19 F37 F40 F65 V70 E72 S76 M78V19-V74 HydrophobicContact CG1-CG1 4.39Å; V19-V74 HydrophobicContact CG2-CB 4.44Å; V19-V74 HydrophobicContact CG2-CG1 4.4Å; F37-V74 HydrophobicContact CD1-CG1 3.91Å; F37-V74 HydrophobicContact CE1-CG1 3.79Å; F40-V74 HydrophobicContact CB-CG2 3.49Å; F40-V74 VanDerWaalsContact CB-CG2 3.49Å; F40-V74 HydrophobicContact CD1-CG2 4.03Å; F40-V74 HydrophobicContact CD2-CG2 3.78Å; F40-V74 HydrophobicContact CG-CG2 3.5Å; F40-V74 VanDerWaalsContact CG-CG2 3.5Å; F65-V74 HydrophobicContact CE1-CG2 4.3Å; F65-V74 HydrophobicContact CE2-CB 4.22Å; F65-V74 HydrophobicContact CE2-CG1 4.16Å; F65-V74 HydrophobicContact CE2-CG2 4.09Å; F65-V74 HydrophobicContact CZ-CB 4.3Å; F65-V74 HydrophobicContact CZ-CG1 4.16Å; F65-V74 HydrophobicContact CZ-CG2 3.74Å; V70-V74 HydrophobicContact CG1-CG2 4.19Å; V70-V74 WeakPolarHBondContact O-CB 3.23Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.18Å; V70-V74 PolarHBondContact O-N 2.82Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.88Å; V74-S76 PolarHBondContact O-N 3.16Å; V74-M78 HydrophobicContact CG1-CG 4.19Å; V74-M78 WeakPolarHBondContact O-CB 3.19Å; V74-M78 WeakPolarHBondContact O-CG 3.43Å; V74-M78 PolarHBondContact O-N 3.19Å
75A96.5Very high93.7Very high10 Ų1067 Ų678%0.08335%0.352CS..Hα-helixtrans-62.8-41.7178.300000112.2V19 A71 E72 I73 N79 V92V19-A75 HydrophobicContact CG1-CB 4.44Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 3.04Å; E72-A75 PolarHBondContact O-N 3.23Å; I73-A75 VanDerWaalsContact C-N 3.32Å; I73-A75 PolarHBondContact O-N 3.37Å; A75-N79 WeakPolarHBondContact O-CB 3.36Å; A75-N79 PolarHBondContact O-N 2.89Å; A75-V92 HydrophobicContact CB-CG2 3.49Å; A75-V92 VanDerWaalsContact CB-CG2 3.49Å
76S95Very high93.5Very high86 Ų8667.9 Ų67.960%0.60136%0.358SS*.Hα-helixtrans-71.1-45178.456.50000112.6E72 I73 V74E72-S76 PolarHBondContact O-N 2.86Å; E72-S76 PolarHBondContact O-OG 3.29Å; I73-S76 PolarHBondContact O-N 2.98Å; I73-S76 PolarHBondContact O-OG 3.35Å; V74-S76 PolarHBondContact O-N 3.16Å
77T94.6Very high93.4Very high84 Ų8463.8 Ų63.852%0.51534%0.342SS..Hα-helixtrans-76.3-38.5-172.2-57.70000112I73I73-T77 VanDerWaalsContact O-CB 3.24Å; I73-T77 WeakPolarHBondContact O-CB 3.42Å; I73-T77 PolarHBondContact O-N 3.17Å; I73-T77 PolarHBondContact O-OG1 3.45Å
78M95.3Very high93.5Very high4 Ų461.5 Ų61.52%0.0233%0.326CS..Hα-helixtrans-90.6-7.5-176.2-63.1-59.6-56.200113.5Y36 F37 F40 V74 N80 Y81 L88 C90Y36-M78 HydrophobicContact CE1-CE 3.59Å; Y36-M78 HydrophobicContact CE1-SD 4.09Å; Y36-M78 VanDerWaalsContact OH-CE 3.28Å; Y36-M78 WeakPolarHBondContact OH-CE 3.41Å; F37-M78 HydrophobicContact CE1-CG 4.45Å; F40-M78 HydrophobicContact CE2-CG 4.33Å; F40-M78 HydrophobicContact CE2-SD 4.3Å; F40-M78 HydrophobicContact CZ-CG 4.06Å; F40-M78 HydrophobicContact CZ-SD 3.78Å; V74-M78 HydrophobicContact CG1-CG 4.19Å; V74-M78 WeakPolarHBondContact O-CB 3.19Å; V74-M78 WeakPolarHBondContact O-CG 3.43Å; V74-M78 PolarHBondContact O-N 3.19Å; M78-N80 PolarHBondContact O-N 2.68Å; M78-Y81 HydrophobicContact CE-CD1 3.52Å; M78-Y81 HydrophobicContact CE-CD2 4.36Å; M78-Y81 HydrophobicContact CE-CE1 4.17Å; M78-Y81 HydrophobicContact CE-CG 3.63Å; M78-Y81 WeakPolarHBondContact O-CB 3.46Å; M78-Y81 PolarHBondContact O-N 3.39Å; M78-Y81 HydrophobicContact SD-CG 4.34Å; M78-L88 HydrophobicContact CE-CD1 4Å; M78-C90 HydrophobicContact CB-CB 4.25Å
79N95Very high93.7Very high60 Ų6065.2 Ų65.232%0.32134%0.34SS..THydrogen-bonded Turntrans-70.3127.4176.8-175.247.9000110.3A75 Y81 C90A75-N79 WeakPolarHBondContact O-CB 3.36Å; A75-N79 PolarHBondContact O-N 2.89Å; N79-Y81 PolarHBondContact O-N 3.34Å; N79-C90 HydrophobicContact CB-CB 4.24Å; N79-C90 PolarHBondContact OD1-N 2.69Å; N79-C90 PolarHBondContact OD1-O 2.68Å
80N95Very high93.9Very high111 Ų11158.6 Ų58.659%0.59431%0.312SS*.THydrogen-bonded Turntrans65.716.7-171.3-49.7-53.4000115.2M78 V87 L88M78-N80 PolarHBondContact O-N 2.68Å; N80-V87 HydrophobicContact CB-CG1 4.09Å; N80-L88 WeakPolarHBondContact CA-O 3.13Å; N80-L88 PolarHBondContact N-O 2.77Å
81Y93.8Very high93.9Very high105 Ų10559.8 Ų59.841%0.41232%0.316SS..  trans-69132.1172.4-174.8-95.1000111M78 N79 L83 V87 L88M78-Y81 HydrophobicContact CE-CD1 3.52Å; M78-Y81 HydrophobicContact CE-CD2 4.36Å; M78-Y81 HydrophobicContact CE-CE1 4.17Å; M78-Y81 HydrophobicContact CE-CG 3.63Å; M78-Y81 WeakPolarHBondContact O-CB 3.46Å; M78-Y81 PolarHBondContact O-N 3.39Å; M78-Y81 HydrophobicContact SD-CG 4.34Å; N79-Y81 PolarHBondContact O-N 3.34Å; Y81-L83 HydrophobicContact CD1-CB 4.1Å; Y81-L83 HydrophobicContact CE1-CB 4.24Å; Y81-L83 HydrophobicContact CE1-CD1 4.19Å; Y81-L83 PolarHBondContact O-N 3.37Å; Y81-V87 WeakPolarHBondContact O-CA 3.38Å; Y81-L88 PolarHBondContact O-N 3.14Å
82L91.8Very high93.9Very high109 Ų10961.9 Ų61.957%0.57133%0.328SS*.EExtended strand (participates in β ladder)trans-80.8106.7174.1-179.964.9000109.5V87L82-V87 HydrophobicContact CD1-CG2 3.92Å
83L89.1Confident93.8Very high22 Ų2257.3 Ų57.312%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-109.8115.1173.4-174.367000109.4P25 F28 Y81 D85 S86 L88P25-L83 HydrophobicContact CG-CD2 4.08Å; P25-L83 HydrophobicContact CG-CG 4.16Å; F28-L83 HydrophobicContact CD1-CD2 3.62Å; F28-L83 HydrophobicContact CD2-CD2 4.06Å; F28-L83 HydrophobicContact CE1-CD2 3.6Å; F28-L83 HydrophobicContact CE2-CD2 4.07Å; F28-L83 HydrophobicContact CG-CD2 3.84Å; F28-L83 HydrophobicContact CZ-CD2 3.84Å; Y81-L83 HydrophobicContact CD1-CB 4.1Å; Y81-L83 HydrophobicContact CE1-CB 4.24Å; Y81-L83 HydrophobicContact CE1-CD1 4.19Å; Y81-L83 PolarHBondContact O-N 3.37Å; L83-D85 PolarHBondContact O-N 3.12Å; L83-D85 VanDerWaalsContact O-N 3.16Å; L83-S86 PolarHBondContact N-O 2.84Å; L83-S86 PolarHBondContact O-N 2.83Å; L83-S86 VanDerWaalsContact O-O 3.09Å; L83-L88 HydrophobicContact CB-CD1 3.94Å; L83-L88 HydrophobicContact CB-CD2 4.24Å; L83-L88 HydrophobicContact CB-CG 3.93Å; L83-L88 HydrophobicContact CD2-CD1 3.98Å; L83-L88 HydrophobicContact CD2-CD2 4.38Å
84L86Confident93.6Very high128 Ų12855.7 Ų55.767%0.6730%0.302SS*.THydrogen-bonded Turntrans56.4-112.6-173.1-56.2172.7000110.8P25P25-L84 HydrophobicContact CB-CB 4.32Å; P25-L84 HydrophobicContact CB-CD1 4.08Å; P25-L84 HydrophobicContact CG-CB 4.34Å; P25-L84 HydrophobicContact CG-CD1 3.94Å; P25-L84 HydrophobicContact CG-CG 4.42Å
85D85.2Confident93.2Very high134 Ų13458.3 Ų58.372%0.71732%0.319SS*.THydrogen-bonded Turntrans-100.45.8179.566.9-9.2000113.1L83L83-D85 PolarHBondContact O-N 3.12Å; L83-D85 VanDerWaalsContact O-N 3.16Å
86S91.9Very high92.8Very high20 Ų2066.3 Ų66.314%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-128.4125.2-165.9-67.60000112.3R23 L83 L88R23-S86 VanDerWaalsContact O-CB 3.31Å; R23-S86 WeakPolarHBondContact O-CB 3.49Å; L83-S86 PolarHBondContact N-O 2.84Å; L83-S86 PolarHBondContact O-N 2.83Å; L83-S86 VanDerWaalsContact O-O 3.09Å; S86-L88 PolarHBondContact O-N 2.86Å
87V94.1Very high92.5Very high47 Ų4768.2 Ų68.229%0.28535%0.352SS..EExtended strand (participates in β ladder)trans-80.9110.1171.4178.30000109R23 N80 Y81 L82R23-V87 WeakPolarHBondContact CB-O 3.25Å; R23-V87 WeakPolarHBondContact CD-O 3.5Å; R23-V87 PolarHBondContact NE-O 2.87Å; R23-V87 PolarHBondContact NH1-O 3.28Å; N80-V87 HydrophobicContact CB-CG1 4.09Å; Y81-V87 WeakPolarHBondContact O-CA 3.38Å; L82-V87 HydrophobicContact CD1-CG2 3.92Å
88L96.1Very high92.4Very high2 Ų266.4 Ų66.41%0.0134%0.339CS..  trans-66.6146.5-179.2-60.7-174.5000110.9M78 N80 Y81 L83 S86M78-L88 HydrophobicContact CE-CD1 4Å; N80-L88 WeakPolarHBondContact CA-O 3.13Å; N80-L88 PolarHBondContact N-O 2.77Å; Y81-L88 PolarHBondContact O-N 3.14Å; L83-L88 HydrophobicContact CB-CD1 3.94Å; L83-L88 HydrophobicContact CB-CD2 4.24Å; L83-L88 HydrophobicContact CB-CG 3.93Å; L83-L88 HydrophobicContact CD2-CD1 3.98Å; L83-L88 HydrophobicContact CD2-CD2 4.38Å; S86-L88 PolarHBondContact O-N 2.86Å
89K97.6Very high92Very high94 Ų9475 Ų7541%0.40937%0.371SS..EExtended strand (participates in β ladder)trans-118.5115.8167.7179.6166.3-175.21630108.6V21 R22V21-K89 CarbonylContact C-O 3.3Å; R22-K89 HydrophobicContact CB-CB 4.25Å; R22-K89 PolarHBondContact N-O 3.15Å; R22-K89 PolarHBondContact O-N 3.22Å
90C96.8Very high91.4Very high5 Ų580.7 Ų80.73%0.03440%0.395CS..EExtended strand (participates in β ladder)trans-117.9136-175.9-630000109.2V19 R20 M78 N79V19-C90 HydrophobicContact CG1-CB 4.39Å; R20-C90 WeakPolarHBondContact O-CA 3.14Å; M78-C90 HydrophobicContact CB-CB 4.25Å; N79-C90 HydrophobicContact CB-CB 4.24Å; N79-C90 PolarHBondContact OD1-N 2.69Å; N79-C90 PolarHBondContact OD1-O 2.68Å
91E96Very high91.2Very high52 Ų5277.9 Ų77.924%0.24338%0.384CS..EExtended strand (participates in β ladder)trans-150.9145.1177.455.7175.3-120.600109.9V19 R20 L93V19-E91 WeakPolarHBondContact CA-O 3.4Å; R20-E91 HydrophobicContact CB-CG 4.07Å; R20-E91 IonicContact CZ-OE1 3.77Å; R20-E91 IonicContact CZ-OE2 3.65Å; R20-E91 PolarHBondContact N-O 3.25Å; R20-E91 IonicContact NE-OE1 3.33Å; R20-E91 PolarHBondContact NE-OE1 2.91Å; R20-E91 IonicContact NE-OE2 2.9Å; R20-E91 IonicContact NH1-OE1 3.68Å; R20-E91 IonicContact NH2-OE1 2.61Å; R20-E91 PolarHBondContact NH2-OE1 3.39Å; R20-E91 IonicContact NH2-OE2 2.85Å; R20-E91 PolarHBondContact NH2-OE2 2.98Å; R20-E91 PolarHBondContact O-N 3.23Å; R20-E91 VanDerWaalsContact O-N 3.09Å; E91-L93 PolarHBondContact O-N 3.1Å
92V95.6Very high91Very high43 Ų4374.1 Ų74.126%0.26137%0.371SS..EExtended strand (participates in β ladder)trans-70.3130.7169-176.70000108.3A16 E72 A75A16-V92 HydrophobicContact CB-CG1 3.56Å; E72-V92 HydrophobicContact CG-CG2 4.17Å; A75-V92 HydrophobicContact CB-CG2 3.49Å; A75-V92 VanDerWaalsContact CB-CG2 3.49Å
93L93.7Very high91.1Very high5 Ų569.4 Ų69.43%0.02635%0.346CS..PPolyproline II helixtrans-83.1122.9179.1-15675.4000108.9A16 V18 R20 F62 E91 K97 I98 L102A16-L93 WeakPolarHBondContact CB-O 3.15Å; V18-L93 HydrophobicContact CB-CB 4.41Å; V18-L93 HydrophobicContact CG1-CB 4.33Å; V18-L93 HydrophobicContact CG1-CD2 4.48Å; V18-L93 WeakPolarHBondContact O-CB 3.48Å; V18-L93 PolarHBondContact O-N 3.48Å; R20-L93 HydrophobicContact CB-CD1 4.05Å; F62-L93 HydrophobicContact CD1-CD2 4.09Å; F62-L93 HydrophobicContact CE1-CD1 4.18Å; F62-L93 HydrophobicContact CE1-CD2 3.83Å; E91-L93 PolarHBondContact O-N 3.1Å; L93-K97 HydrophobicContact CD1-CB 4.41Å; L93-K97 HydrophobicContact CD2-CB 4.11Å; L93-K97 HydrophobicContact CG-CB 3.97Å; L93-I98 HydrophobicContact CB-CG1 4.43Å; L93-I98 HydrophobicContact CD2-CG1 3.99Å; L93-I98 HydrophobicContact CG-CG1 4.49Å; L93-L102 HydrophobicContact CD2-CD2 4.07Å
94P90.3Very high91.1Very high49 Ų4974.5 Ų74.532%0.31837%0.367SS..PPolyproline II helixtrans-61.2148.1178.925.9-34.3000110.5E96 K97P94-E96 PolarHBondContact O-N 3.41Å; P94-E96 VanDerWaalsContact O-N 3.11Å; P94-K97 HydrophobicContact CG-CB 4.26Å; P94-K97 HydrophobicContact CG-CD 3.8Å; P94-K97 HydrophobicContact CG-CG 3.99Å; P94-K97 PolarHBondContact O-N 3.08Å
95P87.1Confident91.3Very high54 Ų5472.9 Ų72.935%0.35136%0.359SS..G310 helixtrans-56.3-34.4-173.122.3-33.7000112.8V14 K97 I98V14-P95 HydrophobicContact CB-CB 4.01Å; V14-P95 HydrophobicContact CB-CG 4.05Å; V14-P95 HydrophobicContact CG1-CB 3.79Å; V14-P95 HydrophobicContact CG1-CG 4.39Å; P95-K97 PolarHBondContact O-N 3.18Å; P95-I98 WeakPolarHBondContact O-CB 3.2Å; P95-I98 PolarHBondContact O-N 3.39Å
96E88.4Confident91.6Very high179 Ų17969.6 Ų69.684%0.83634%0.337SS*.G310 helixtrans-58.7-29.7176.6-60.3170.4-173.100114.1P94P94-E96 PolarHBondContact O-N 3.41Å; P94-E96 VanDerWaalsContact O-N 3.11Å
97K90.1Very high91.4Very high126 Ų12678 Ų7855%0.54837%0.366SS..G310 helixtrans-89.7-9.6179.8-69-177.1-174.8170.40112.5L93 P94 P95 R99L93-K97 HydrophobicContact CD1-CB 4.41Å; L93-K97 HydrophobicContact CD2-CB 4.11Å; L93-K97 HydrophobicContact CG-CB 3.97Å; P94-K97 HydrophobicContact CG-CB 4.26Å; P94-K97 HydrophobicContact CG-CD 3.8Å; P94-K97 HydrophobicContact CG-CG 3.99Å; P94-K97 PolarHBondContact O-N 3.08Å; P95-K97 PolarHBondContact O-N 3.18Å; K97-R99 PolarHBondContact O-N 2.94Å; K97-R99 VanDerWaalsContact O-N 3.1Å
98I90.9Very high91.1Very high46 Ų4681.3 Ų81.324%0.23638%0.381CS..  trans-82.386.8177.8-53.9173000108.6A16 V18 L93 P95 L102A16-I98 HydrophobicContact CB-CD1 4.27Å; V18-I98 HydrophobicContact CB-CD1 3.89Å; V18-I98 HydrophobicContact CB-CG1 4.31Å; V18-I98 HydrophobicContact CG2-CD1 3.76Å; V18-I98 HydrophobicContact CG2-CG1 4.3Å; V18-I98 HydrophobicContact CG2-CG2 4.29Å; L93-I98 HydrophobicContact CB-CG1 4.43Å; L93-I98 HydrophobicContact CD2-CG1 3.99Å; L93-I98 HydrophobicContact CG-CG1 4.49Å; P95-I98 WeakPolarHBondContact O-CB 3.2Å; P95-I98 PolarHBondContact O-N 3.39Å; I98-L102 HydrophobicContact CG2-CD2 4.24Å
99R87.8Confident90.5Very high184 Ų18485.2 Ų85.269%0.69441%0.414SS*.  trans-74.1148.4173-62.8-176.3178-174.9-2.6110.5K97 S101 L102K97-R99 PolarHBondContact O-N 2.94Å; K97-R99 VanDerWaalsContact O-N 3.1Å; R99-S101 PolarHBondContact O-N 2.84Å; R99-S101 VanDerWaalsContact O-N 3.11Å; R99-L102 WeakPolarHBondContact O-CB 3.49Å; R99-L102 PolarHBondContact O-N 3.37Å
100H82.7Confident90Very high179 Ų17983.8 Ų83.883%0.82941%0.413SS*.THydrogen-bonded Turntrans-53.6-33.717361.8-91.6000112.5L102H100-L102 VanDerWaalsContact C-N 3.28Å; H100-L102 PolarHBondContact O-N 3.38Å
101S89.6Confident89.3Confident53 Ų5391.1 Ų91.137%0.37144%0.444SS..THydrogen-bonded Turntrans-78.3-6.6178.859.60000114.5R99 F103 K104R99-S101 PolarHBondContact O-N 2.84Å; R99-S101 VanDerWaalsContact O-N 3.11Å; S101-F103 VanDerWaalsContact C-N 3.3Å; S101-F103 PolarHBondContact O-N 2.96Å; S101-K104 VanDerWaalsContact O-CB 3.25Å; S101-K104 WeakPolarHBondContact O-CB 3.24Å; S101-K104 PolarHBondContact O-N 2.77Å
102L90.6Very high88.9Confident26 Ų2689.4 Ų89.414%0.13644%0.44CS..THydrogen-bonded Turntrans-55.1-49.7-179.2-173.470000110.2V18 K47 F62 L93 I98 R99 H100V18-L102 HydrophobicContact CG1-CD2 4.17Å; K47-L102 WeakPolarHBondContact CD-O 2.99Å; K47-L102 WeakPolarHBondContact CE-O 3.25Å; K47-L102 PolarHBondContact NZ-O 3.44Å; F62-L102 HydrophobicContact CB-CD2 4.35Å; F62-L102 HydrophobicContact CD1-CD1 4.09Å; F62-L102 HydrophobicContact CD1-CD2 4Å; F62-L102 HydrophobicContact CD1-CG 4.44Å; F62-L102 HydrophobicContact CD2-CD1 3.8Å; F62-L102 HydrophobicContact CD2-CG 4.31Å; F62-L102 HydrophobicContact CE1-CD1 3.99Å; F62-L102 HydrophobicContact CE1-CD2 4.48Å; F62-L102 HydrophobicContact CE2-CD1 3.69Å; F62-L102 HydrophobicContact CG-CD1 3.99Å; F62-L102 HydrophobicContact CG-CD2 4.1Å; F62-L102 HydrophobicContact CG-CG 4.18Å; F62-L102 HydrophobicContact CZ-CD1 3.79Å; L93-L102 HydrophobicContact CD2-CD2 4.07Å; I98-L102 HydrophobicContact CG2-CD2 4.24Å; R99-L102 WeakPolarHBondContact O-CB 3.49Å; R99-L102 PolarHBondContact O-N 3.37Å; H100-L102 VanDerWaalsContact C-N 3.28Å; H100-L102 PolarHBondContact O-N 3.38Å
103F92.7Very high88.5Confident9 Ų990.3 Ų90.34%0.03944%0.441CS..THydrogen-bonded Turntrans-95.115.6176.9-63.1-78.2000113.8V18 R45 K47 F62 E64 S101 D105 W106V18-F103 HydrophobicContact CG1-CE2 4.28Å; V18-F103 HydrophobicContact CG1-CZ 3.96Å; V18-F103 HydrophobicContact CG2-CE2 3.83Å; V18-F103 HydrophobicContact CG2-CZ 4.09Å; R45-F103 HydrophobicContact CB-CD1 3.57Å; R45-F103 HydrophobicContact CB-CE1 3.76Å; R45-F103 HydrophobicContact CB-CG 4Å; R45-F103 HydrophobicContact CB-CZ 4.32Å; R45-F103 VanDerWaalsContact CZ-CD2 3.42Å; K47-F103 HydrophobicContact CB-CD1 4.03Å; K47-F103 HydrophobicContact CB-CE1 4.34Å; F62-F103 HydrophobicContact CB-CE1 4Å; F62-F103 HydrophobicContact CB-CZ 3.98Å; E64-F103 HydrophobicContact CB-CE1 4.38Å; E64-F103 HydrophobicContact CB-CE2 4.17Å; E64-F103 HydrophobicContact CB-CZ 3.74Å; S101-F103 VanDerWaalsContact C-N 3.3Å; S101-F103 PolarHBondContact O-N 2.96Å; F103-D105 PolarHBondContact O-N 3.01Å; F103-W106 HydrophobicContact CB-CB 4.39Å; F103-W106 HydrophobicContact CB-CG 4.45Å; F103-W106 HydrophobicContact CD1-CB 4.45Å; F103-W106 WeakPolarHBondContact O-CB 3.44Å; F103-W106 PolarHBondContact O-N 2.64Å
104K90.2Very high88.3Confident129 Ų12995.4 Ų95.456%0.56147%0.465SS*.THydrogen-bonded Turntrans-56.3133.4172-175-177.2175-177.20109.2K47 S101 W106K47-K104 WeakPolarHBondContact CE-O 3.48Å; K47-K104 PolarHBondContact NZ-O 3.22Å; S101-K104 VanDerWaalsContact O-CB 3.25Å; S101-K104 WeakPolarHBondContact O-CB 3.24Å; S101-K104 PolarHBondContact O-N 2.77Å; K104-W106 PolarHBondContact O-N 3.4Å
105D90Very high88.3Confident94 Ų94104 Ų10450%0.50349%0.491SS..THydrogen-bonded Turntrans56.824.7175.2-55.5-29.4000114.1F103 R107 L108F103-D105 PolarHBondContact O-N 3.01Å; D105-R107 PolarHBondContact O-N 3.11Å; D105-R107 VanDerWaalsContact O-N 3.13Å; D105-L108 HydrophobicContact CB-CB 4.18Å; D105-L108 HydrophobicContact CB-CD1 3.79Å; D105-L108 HydrophobicContact CB-CG 4.29Å; D105-L108 WeakPolarHBondContact O-CB 3.3Å; D105-L108 PolarHBondContact O-N 3.33Å
106W90.7Very high88.5Confident66 Ų66104.9 Ų104.925%0.2549%0.493CS..THydrogen-bonded Turntrans-61.8-24.3-175.574.4-86.4000114R45 K47 F103 K104R45-W106 HydrophobicContact CB-CD2 4.38Å; R45-W106 HydrophobicContact CB-CZ2 4.2Å; R45-W106 HydrophobicContact CG-CZ2 3.92Å; K47-W106 HydrophobicContact CB-CB 3.96Å; K47-W106 HydrophobicContact CD-CB 4.23Å; K47-W106 HydrophobicContact CG-CB 4.13Å; F103-W106 HydrophobicContact CB-CB 4.39Å; F103-W106 HydrophobicContact CB-CG 4.45Å; F103-W106 HydrophobicContact CD1-CB 4.45Å; F103-W106 WeakPolarHBondContact O-CB 3.44Å; F103-W106 PolarHBondContact O-N 2.64Å; K104-W106 PolarHBondContact O-N 3.4Å
107R87.5Confident88.7Confident197 Ų197103.4 Ų103.474%0.74348%0.484SS*.THydrogen-bonded Turntrans-86.8-8.9175.5-62.3-177.9177.7157.7-3.6113.5D105D105-R107 PolarHBondContact O-N 3.11Å; D105-R107 VanDerWaalsContact O-N 3.13Å
108L88.1Confident88.9Confident115 Ų115101.1 Ų101.160%0.60249%0.488SS*.SBendtrans-94131-175.2-64.7176000110.7D105 V110D105-L108 HydrophobicContact CB-CB 4.18Å; D105-L108 HydrophobicContact CB-CD1 3.79Å; D105-L108 HydrophobicContact CB-CG 4.29Å; D105-L108 WeakPolarHBondContact O-CB 3.3Å; D105-L108 PolarHBondContact O-N 3.33Å; L108-V110 PolarHBondContact O-N 2.92Å
109A84.2Confident89Confident85 Ų85103.8 Ų103.870%0.70250%0.496SS*.  trans-69.3127.1175.700000111.5K111A109-K111 PolarHBondContact O-N 3.41Å
110V86.9Confident89.3Confident64 Ų6496 Ų9639%0.38847%0.469SS..  trans-80.7105.6175.6-1770000110R50 L108R50-V110 HydrophobicContact CB-CB 4.1Å; R50-V110 HydrophobicContact CB-CG1 4.29Å; R50-V110 HydrophobicContact CB-CG2 4.2Å; L108-V110 PolarHBondContact O-N 2.92Å
111K82.1Confident89.7Confident159 Ų15995.7 Ų95.769%0.69147%0.465SS*.  trans-81.7-9.7-173.3-62.5-174.1-178.81790115.3A109A109-K111 PolarHBondContact O-N 3.41Å
112G87.2Confident89.9Confident15 Ų15101.4 Ų101.416%0.15548%0.483CS..  trans74.5-173.2-173.400000113.2E52 Q114E52-G112 WeakPolarHBondContact O-CA 3.47Å; G112-Q114 PolarHBondContact O-N 3.02Å; G112-Q114 VanDerWaalsContact O-N 3.14Å
113H88.3Confident89.8Confident63 Ų63102.1 Ų102.129%0.29249%0.492SS..  trans-67109.4178.7-101.2-137.4000112.1K53 R115 N116 V120K53-H113 WeakPolarHBondContact O-CB 3.4Å; K53-H113 PolarHBondContact O-N 3.33Å; H113-R115 PolarHBondContact O-N 2.75Å; H113-N116 HydrophobicContact CB-CB 4.27Å; H113-N116 CarbonylContact O-C 3.57Å; H113-N116 PolarHBondContact O-N 3.36Å; H113-V120 HydrophobicContact CB-CG2 4.15Å
114Q87.9Confident89.7Confident111 Ų111104.3 Ų104.352%0.51951%0.505SS..G310 helixtrans-68.5-34.9-179.5-131.666.4-48.900113.9G112 N116 K117G112-Q114 PolarHBondContact O-N 3.02Å; G112-Q114 VanDerWaalsContact O-N 3.14Å; Q114-N116 VanDerWaalsContact C-N 3.34Å; Q114-K117 WeakPolarHBondContact O-CG 3.21Å
115R90.8Very high89.7Confident231 Ų231105.4 Ų105.487%0.87251%0.51SS*.G310 helixtrans-74.5-20.5176.964.4179.6177.6158.8-1.6114.1H113H113-R115 PolarHBondContact O-N 2.75Å
116N92.7Very high89.5Confident71 Ų71108 Ų10838%0.3852%0.518SS..G310 helixtrans-125.557.9-174.4-161.1-13000111.7H113 Q114 A118 Y119 V120H113-N116 HydrophobicContact CB-CB 4.27Å; H113-N116 CarbonylContact O-C 3.57Å; H113-N116 PolarHBondContact O-N 3.36Å; Q114-N116 VanDerWaalsContact C-N 3.34Å; N116-A118 PolarHBondContact O-N 2.83Å; N116-Y119 WeakPolarHBondContact ND2-CB 3.42Å; N116-Y119 PolarHBondContact O-N 3.28Å; N116-Y119 WeakPolarHBondContact OD1-CB 3.41Å; N116-Y119 PolarHBondContact OD1-N 2.82Å; N116-Y119 VanDerWaalsContact OD1-N 3.12Å; N116-V120 WeakPolarHBondContact O-CG2 3.22Å; N116-V120 PolarHBondContact O-N 3.24Å; N116-V120 VanDerWaalsContact O-N 3.13Å
117K91.8Very high89.2Confident149 Ų149111 Ų11165%0.64853%0.534SS*.Hα-helixtrans-60.2-33-179.8-64.8-175.7-179.8177.10112.8Q114 V120 K121Q114-K117 WeakPolarHBondContact O-CG 3.21Å; K117-V120 PolarHBondContact O-N 3.07Å; K117-K121 WeakPolarHBondContact O-CB 3.44Å; K117-K121 PolarHBondContact O-N 3.28Å
118A93.8Very high89.1Confident77 Ų77107.9 Ų107.964%0.63653%0.527SS*.Hα-helixtrans-62.4-45.8176.800000111.8N116 K121 K122N116-A118 PolarHBondContact O-N 2.83Å; A118-K121 PolarHBondContact O-N 3.29Å; A118-K122 WeakPolarHBondContact O-CB 3.34Å; A118-K122 PolarHBondContact O-N 3.05Å
119Y93.9Very high89.2Confident103 Ų103105.9 Ų105.940%0.40453%0.527SS..Hα-helixtrans-60.5-46.2173.2168.2-102.1000111.8K53 T54 N116 K121 K122 A123K53-Y119 HydrophobicContact CB-CE1 4.23Å; T54-Y119 HydrophobicContact CG2-CD1 4.26Å; T54-Y119 HydrophobicContact CG2-CE1 3.46Å; T54-Y119 VanDerWaalsContact CG2-CE1 3.46Å; N116-Y119 WeakPolarHBondContact ND2-CB 3.42Å; N116-Y119 PolarHBondContact O-N 3.28Å; N116-Y119 WeakPolarHBondContact OD1-CB 3.41Å; N116-Y119 PolarHBondContact OD1-N 2.82Å; N116-Y119 VanDerWaalsContact OD1-N 3.12Å; Y119-K121 PolarHBondContact O-N 3.38Å; Y119-K122 PolarHBondContact O-N 2.86Å; Y119-A123 WeakPolarHBondContact O-CB 3.48Å; Y119-A123 PolarHBondContact O-N 3.37Å
120V93.2Very high89.5Confident20 Ų20105.4 Ų105.412%0.12152%0.523CS..Hα-helixtrans-58.9-47178.6177.40000110.9K53 H113 N116 K117 K122 A123 N124K53-V120 WeakPolarHBondContact O-CG2 3.24Å; H113-V120 HydrophobicContact CB-CG2 4.15Å; N116-V120 WeakPolarHBondContact O-CG2 3.22Å; N116-V120 PolarHBondContact O-N 3.24Å; N116-V120 VanDerWaalsContact O-N 3.13Å; K117-V120 PolarHBondContact O-N 3.07Å; V120-K122 PolarHBondContact O-N 3.21Å; V120-A123 PolarHBondContact O-N 2.91Å; V120-N124 WeakPolarHBondContact O-CB 3.5Å; V120-N124 PolarHBondContact O-N 3.09Å
121K92.5Very high89.6Confident172 Ų172105.3 Ų105.375%0.74852%0.523SS*.Hα-helixtrans-61.1-42.9177.4-171.6176.3-178178.40111.7K117 A118 Y119 K125K117-K121 WeakPolarHBondContact O-CB 3.44Å; K117-K121 PolarHBondContact O-N 3.28Å; A118-K121 PolarHBondContact O-N 3.29Å; Y119-K121 PolarHBondContact O-N 3.38Å; K121-K125 PolarHBondContact O-N 2.9Å; K121-K125 VanDerWaalsContact O-N 3.13Å
122K92.7Very high89.9Confident174 Ų174101.7 Ų101.776%0.75751%0.51SS*.Hα-helixtrans-64.1-46177-176.1176.3179.4177.40111.7A118 Y119 V120 N124 K125A118-K122 WeakPolarHBondContact O-CB 3.34Å; A118-K122 PolarHBondContact O-N 3.05Å; Y119-K122 PolarHBondContact O-N 2.86Å; V120-K122 PolarHBondContact O-N 3.21Å; K122-N124 VanDerWaalsContact C-N 3.31Å; K122-N124 PolarHBondContact O-N 2.98Å; K122-K125 WeakPolarHBondContact O-CB 3.39Å; K122-K125 PolarHBondContact O-N 3.06Å
123A88.9Confident90.1Very high40 Ų40104.4 Ų104.433%0.33152%0.524SS..Hα-helixtrans-68-30.6-17900000113.1T54 Y119 V120T54-A123 HydrophobicContact CG2-CB 3.59Å; Y119-A123 WeakPolarHBondContact O-CB 3.48Å; Y119-A123 PolarHBondContact O-N 3.37Å; V120-A123 PolarHBondContact O-N 2.91Å
124N90.5Very high90.2Very high55 Ų55103.9 Ų103.929%0.29453%0.53SS..Hα-helixtrans-91-3.8179.6-66.9-14.7000113.7T54 R56 V120 K122 Q126T54-N124 PolarHBondContact O-ND2 3.49Å; R56-N124 WeakPolarHBondContact CB-OD1 3.48Å; V120-N124 WeakPolarHBondContact O-CB 3.5Å; V120-N124 PolarHBondContact O-N 3.09Å; K122-N124 VanDerWaalsContact C-N 3.31Å; K122-N124 PolarHBondContact O-N 2.98Å; N124-Q126 PolarHBondContact O-N 3.08Å
125K90Very high90.2Very high153 Ų153102.1 Ų102.167%0.66552%0.523SS*.PPolyproline II helixtrans-58.9125.6178.6-169.2176.5-178.71800110K121 K122K121-K125 PolarHBondContact O-N 2.9Å; K121-K125 VanDerWaalsContact O-N 3.13Å; K122-K125 WeakPolarHBondContact O-CB 3.39Å; K122-K125 PolarHBondContact O-N 3.06Å
126Q84.9Confident90.2Very high147 Ų14794.9 Ų94.969%0.68751%0.507SS*.PPolyproline II helixtrans-65.4141.1172.9-70.7-178.70.100110N124N124-Q126 PolarHBondContact O-N 3.08Å
127K84.6Confident90.2Very high131 Ų131100.5 Ų100.557%0.5752%0.523SS*.PPolyproline II helixtrans-67.9137.7174.9-68.9178.5175.6178.10108.5I132 M135K127-I132 HydrophobicContact CB-CD1 4.29Å; K127-I132 HydrophobicContact CB-CG1 3.9Å; K127-M135 HydrophobicContact CD-CE 3.68Å; K127-M135 PolarHBondContact NZ-SD 3.28Å
128Q86.9Confident90.1Very high130 Ų130101.3 Ų101.361%0.60752%0.522SS*.PPolyproline II helixtrans-65.4148.9174.9-67.7178-1.600110.2A130 T131 I132Q128-A130 VanDerWaalsContact C-N 3.26Å; Q128-A130 PolarHBondContact O-N 3.41Å; Q128-T131 WeakPolarHBondContact O-CA 3.48Å; Q128-T131 VanDerWaalsContact O-CB 3.28Å; Q128-T131 WeakPolarHBondContact O-CB 3.3Å; Q128-T131 PolarHBondContact O-N 3.45Å; Q128-I132 PolarHBondContact O-N 3.06Å; Q128-I132 VanDerWaalsContact O-N 3.08Å
129A89.3Confident89.9Confident73 Ų73102.7 Ų102.760%0.60352%0.518SS*.Hα-helixtrans-52.9-44-178.900000112.2T131 I132 V133A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 3Å; A129-I132 WeakPolarHBondContact O-CB 3.25Å; A129-I132 PolarHBondContact O-N 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.28Å; A129-V133 PolarHBondContact O-N 2.83Å
130A91.3Very high89.7Confident75 Ų75102.3 Ų102.362%0.6252%0.523SS*.Hα-helixtrans-56.6-40175.800000112.8Q128 V133 A134Q128-A130 VanDerWaalsContact C-N 3.26Å; Q128-A130 PolarHBondContact O-N 3.41Å; A130-V133 PolarHBondContact O-N 2.74Å; A130-A134 WeakPolarHBondContact O-CB 3.49Å; A130-A134 PolarHBondContact O-N 3.29Å
131T88.5Confident89.5Confident62 Ų62102.9 Ų102.938%0.3853%0.528SS..Hα-helixtrans-68-38.4177-47.60000111.8Q128 A129 M135Q128-T131 WeakPolarHBondContact O-CA 3.48Å; Q128-T131 VanDerWaalsContact O-CB 3.28Å; Q128-T131 WeakPolarHBondContact O-CB 3.3Å; Q128-T131 PolarHBondContact O-N 3.45Å; A129-T131 VanDerWaalsContact C-N 3.27Å; A129-T131 PolarHBondContact O-N 3Å; T131-M135 HydrophobicContact CG2-CE 3.6Å; T131-M135 WeakPolarHBondContact O-CE 3.36Å; T131-M135 PolarHBondContact O-N 2.93Å; T131-M135 VanDerWaalsContact O-N 3.1Å
132I88.3Confident89.4Confident83 Ų83100.2 Ų100.243%0.42652%0.518SS..Hα-helixtrans-64.9-48.7175.9-63172000109.7K127 Q128 A129 A134 M135 C136K127-I132 HydrophobicContact CB-CD1 4.29Å; K127-I132 HydrophobicContact CB-CG1 3.9Å; Q128-I132 PolarHBondContact O-N 3.06Å; Q128-I132 VanDerWaalsContact O-N 3.08Å; A129-I132 WeakPolarHBondContact O-CB 3.25Å; A129-I132 PolarHBondContact O-N 3.29Å; I132-A134 VanDerWaalsContact C-N 3.35Å; I132-A134 PolarHBondContact O-N 3.07Å; I132-M135 WeakPolarHBondContact O-CA 3.37Å; I132-M135 WeakPolarHBondContact O-CB 3.28Å; I132-M135 PolarHBondContact O-N 3.13Å; I132-M135 VanDerWaalsContact O-N 3.08Å; I132-C136 PolarHBondContact O-N 2.9Å; I132-C136 PolarHBondContact O-SG 3.3Å; I132-C136 VanDerWaalsContact O-SG 3.37Å
133V91.1Very high89.1Confident72 Ų7296.2 Ų96.244%0.43650%0.504SS..Hα-helixtrans-58.2-44.9178172.90000111.6A129 A130 M135 C136 R137A129-V133 WeakPolarHBondContact O-CG2 3.28Å; A129-V133 PolarHBondContact O-N 2.83Å; A130-V133 PolarHBondContact O-N 2.74Å; V133-M135 VanDerWaalsContact C-N 3.3Å; V133-M135 PolarHBondContact O-N 3.07Å; V133-C136 PolarHBondContact O-N 3.33Å; V133-R137 WeakPolarHBondContact O-CG 3.34Å; V133-R137 PolarHBondContact O-N 2.92Å
134A90.9Very high89.1Confident52 Ų5296.3 Ų96.343%0.4350%0.499SS..Hα-helixtrans-61.6-38.3176.300000112.4A130 I132 R138A130-A134 WeakPolarHBondContact O-CB 3.49Å; A130-A134 PolarHBondContact O-N 3.29Å; I132-A134 VanDerWaalsContact C-N 3.35Å; I132-A134 PolarHBondContact O-N 3.07Å; A134-R138 PolarHBondContact O-N 3.24Å; A134-R138 VanDerWaalsContact O-N 3.15Å
135M87.5Confident89Confident75 Ų75101.1 Ų101.137%0.36952%0.518SS..Hα-helixtrans-64.6-45.7173.9-111172.3-76.500111.8K127 T131 I132 V133 R137 R138 L139K127-M135 HydrophobicContact CD-CE 3.68Å; K127-M135 PolarHBondContact NZ-SD 3.28Å; T131-M135 HydrophobicContact CG2-CE 3.6Å; T131-M135 WeakPolarHBondContact O-CE 3.36Å; T131-M135 PolarHBondContact O-N 2.93Å; T131-M135 VanDerWaalsContact O-N 3.1Å; I132-M135 WeakPolarHBondContact O-CA 3.37Å; I132-M135 WeakPolarHBondContact O-CB 3.28Å; I132-M135 PolarHBondContact O-N 3.13Å; I132-M135 VanDerWaalsContact O-N 3.08Å; V133-M135 VanDerWaalsContact C-N 3.3Å; V133-M135 PolarHBondContact O-N 3.07Å; M135-R137 PolarHBondContact O-N 3.22Å; M135-R138 PolarHBondContact O-N 3.41Å; M135-L139 PolarHBondContact O-N 3.23Å
136C90.6Very high88.8Confident79 Ų7997.7 Ų97.753%0.53452%0.517SS..Hα-helixtrans-61.7-42.5177.7-65.30000111.8I132 V133 R138 L139 N140I132-C136 PolarHBondContact O-N 2.9Å; I132-C136 PolarHBondContact O-SG 3.3Å; I132-C136 VanDerWaalsContact O-SG 3.37Å; V133-C136 PolarHBondContact O-N 3.33Å; C136-R138 VanDerWaalsContact C-N 3.33Å; C136-R138 PolarHBondContact O-N 2.7Å; C136-L139 PolarHBondContact O-N 3.44Å; C136-N140 WeakPolarHBondContact O-CB 3.34Å; C136-N140 PolarHBondContact O-N 2.84Å
137R92.7Very high89Confident188 Ų18896.1 Ų96.171%0.70951%0.514SS*.Hα-helixtrans-59.3-42.8174.8-74.4-179.1-177163.40.8112.2V133 M135 N140 S141V133-R137 WeakPolarHBondContact O-CG 3.34Å; V133-R137 PolarHBondContact O-N 2.92Å; M135-R137 PolarHBondContact O-N 3.22Å; R137-N140 PolarHBondContact O-N 3.24Å; R137-S141 PolarHBondContact O-N 3.31Å
138R90.1Very high88.8Confident167 Ų16793 Ų9363%0.6352%0.519SS*.Hα-helixtrans-64.8-41.1176.6-178.8178.5-83.3132.1-6.8111.8A134 M135 C136 S141 Q142A134-R138 PolarHBondContact O-N 3.24Å; A134-R138 VanDerWaalsContact O-N 3.15Å; M135-R138 PolarHBondContact O-N 3.41Å; C136-R138 VanDerWaalsContact C-N 3.33Å; C136-R138 PolarHBondContact O-N 2.7Å; R138-S141 PolarHBondContact O-OG 3.36Å; R138-S141 VanDerWaalsContact O-OG 3.04Å; R138-Q142 WeakPolarHBondContact O-CG 3.35Å; R138-Q142 PolarHBondContact O-N 3.13Å; R138-Q142 VanDerWaalsContact O-N 3.15Å
139L89.5Confident88Confident106 Ų10691.9 Ų91.956%0.55552%0.516SS*.Hα-helixtrans-66.3-42.7177.8-150.291.4000111.2M135 C136 S141 Q142 L143M135-L139 PolarHBondContact O-N 3.23Å; C136-L139 PolarHBondContact O-N 3.44Å; L139-S141 PolarHBondContact O-N 3.44Å; L139-Q142 WeakPolarHBondContact O-CB 3.38Å; L139-Q142 PolarHBondContact O-N 3.45Å; L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 3.34Å
140N90.1Very high87.1Confident94 Ų9495 Ų9550%0.50353%0.528SS..Hα-helixtrans-63.4-41.7178.7-164.248.9000111.7C136 R137 Q142 L143 L144C136-N140 WeakPolarHBondContact O-CB 3.34Å; C136-N140 PolarHBondContact O-N 2.84Å; R137-N140 PolarHBondContact O-N 3.24Å; N140-Q142 VanDerWaalsContact C-N 3.31Å; N140-Q142 PolarHBondContact O-N 2.95Å; N140-L143 PolarHBondContact O-N 2.86Å; N140-L144 WeakPolarHBondContact O-CB 3.47Å; N140-L144 WeakPolarHBondContact O-CG 3.41Å; N140-L144 PolarHBondContact O-N 3.45Å
141S89.3Confident85.6Confident33 Ų3399.5 Ų99.523%0.23154%0.54CS..Hα-helixtrans-66.2-33.517674.90000112.8R137 R138 L139 K145R137-S141 PolarHBondContact O-N 3.31Å; R138-S141 PolarHBondContact O-OG 3.36Å; R138-S141 VanDerWaalsContact O-OG 3.04Å; L139-S141 PolarHBondContact O-N 3.44Å; S141-K145 WeakPolarHBondContact O-CB 3.49Å; S141-K145 VanDerWaalsContact O-CG 3.25Å; S141-K145 WeakPolarHBondContact O-CG 3.41Å; S141-K145 PolarHBondContact O-N 3.28Å
142Q88.9Confident85.5Confident115 Ų115101.4 Ų101.454%0.53755%0.548SS..Hα-helixtrans-66.9-41.8172.7-73.7175.8-22.600111.9R138 L139 N140 A146R138-Q142 WeakPolarHBondContact O-CG 3.35Å; R138-Q142 PolarHBondContact O-N 3.13Å; R138-Q142 VanDerWaalsContact O-N 3.15Å; L139-Q142 WeakPolarHBondContact O-CB 3.38Å; L139-Q142 PolarHBondContact O-N 3.45Å; N140-Q142 VanDerWaalsContact C-N 3.31Å; N140-Q142 PolarHBondContact O-N 2.95Å; Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 3.3Å
143L86.5Confident85.3Confident90 Ų90102.4 Ų102.447%0.47155%0.554SS.*Hα-helixtrans-66.1-44177.9-76.3167.7000112.3L139 N140 K145 A146 N147L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 3.34Å; N140-L143 PolarHBondContact O-N 2.86Å; L143-K145 PolarHBondContact O-N 2.89Å; L143-A146 PolarHBondContact O-N 3.13Å; L143-N147 WeakPolarHBondContact O-CB 3.4Å; L143-N147 PolarHBondContact O-N 2.95Å; L143-N147 PolarHBondContact O-ND2 3.29Å
144L89.9Confident85Confident43 Ų43104.1 Ų104.123%0.22556%0.561CS.*Hα-helixtrans-59.1-47176.3-73.6169.9000111.1N140 A146 N147 G148 L149 I151N140-L144 WeakPolarHBondContact O-CB 3.47Å; N140-L144 WeakPolarHBondContact O-CG 3.41Å; N140-L144 PolarHBondContact O-N 3.45Å; L144-A146 PolarHBondContact O-N 3.22Å; L144-N147 CarbonylContact O-C 3.51Å; L144-N147 PolarHBondContact O-N 3.41Å; L144-G148 PolarHBondContact O-N 3.3Å; L144-L149 CarbonylContact C-O 3.57Å; L144-L149 VanDerWaalsContact C-O 3.3Å; L144-L149 WeakPolarHBondContact CB-O 3.47Å; L144-L149 HydrophobicContact CD2-CB 3.87Å; L144-L149 HydrophobicContact CD2-CD1 4.26Å; L144-L149 PolarHBondContact O-N 3.46Å; L144-L149 VanDerWaalsContact O-O 3.1Å; L144-I151 HydrophobicContact CB-CG1 4.45Å; L144-I151 HydrophobicContact CD1-CD1 4.48Å; L144-I151 HydrophobicContact CD1-CG1 3.95Å
145K88.6Confident84.7Confident156 Ų156107.1 Ų107.168%0.67857%0.569SS**Hα-helixtrans-60.6-42.7174.3-71.7175.6-175.8-1700113S141 L143 N147 G148S141-K145 WeakPolarHBondContact O-CB 3.49Å; S141-K145 VanDerWaalsContact O-CG 3.25Å; S141-K145 WeakPolarHBondContact O-CG 3.41Å; S141-K145 PolarHBondContact O-N 3.28Å; L143-K145 PolarHBondContact O-N 2.89Å; K145-N147 PolarHBondContact O-N 3.12Å; K145-G148 PolarHBondContact O-N 3.14Å
146A85.9Confident84.5Confident80 Ų80109.1 Ų109.166%0.66158%0.581SS**Hα-helixtrans-65.2-30.2179.100000112.6Q142 L143 L144Q142-A146 WeakPolarHBondContact O-CB 3.45Å; Q142-A146 PolarHBondContact O-N 3.3Å; L143-A146 PolarHBondContact O-N 3.13Å; L144-A146 PolarHBondContact O-N 3.22Å
147N88.2Confident84.1Confident115 Ų115111.1 Ų111.162%0.61558%0.584SS**THydrogen-bonded Turntrans-94.38.2179.3-67.6-31.7000113.6L143 L144 K145 L149L143-N147 WeakPolarHBondContact O-CB 3.4Å; L143-N147 PolarHBondContact O-N 2.95Å; L143-N147 PolarHBondContact O-ND2 3.29Å; L144-N147 CarbonylContact O-C 3.51Å; L144-N147 PolarHBondContact O-N 3.41Å; K145-N147 PolarHBondContact O-N 3.12Å; N147-L149 HydrophobicContact CB-CD1 4.32Å; N147-L149 HydrophobicContact CB-CG 4.5Å; N147-L149 PolarHBondContact O-N 2.87Å; N147-L149 VanDerWaalsContact O-N 3.17Å
148G81.1Confident83.5Confident65 Ų65105.6 Ų105.667%0.6758%0.575SS**THydrogen-bonded Turntrans65.715.4-179.700000114.5L144 K145L144-G148 PolarHBondContact O-N 3.3Å; K145-G148 PolarHBondContact O-N 3.14Å
149L69.5Low83Confident106 Ų106100.9 Ų100.956%0.55557%0.571SS**  trans-91.7108.1175.2-67.5168000107.6L144 N147L144-L149 CarbonylContact C-O 3.57Å; L144-L149 VanDerWaalsContact C-O 3.3Å; L144-L149 WeakPolarHBondContact CB-O 3.47Å; L144-L149 HydrophobicContact CD2-CB 3.87Å; L144-L149 HydrophobicContact CD2-CD1 4.26Å; L144-L149 PolarHBondContact O-N 3.46Å; L144-L149 VanDerWaalsContact O-O 3.1Å; N147-L149 HydrophobicContact CB-CD1 4.32Å; N147-L149 HydrophobicContact CB-CG 4.5Å; N147-L149 PolarHBondContact O-N 2.87Å; N147-L149 VanDerWaalsContact O-N 3.17Å
150T70Confident82.4Confident139 Ų139100.5 Ų100.585%0.85357%0.573SS**  trans-71.9138175.6-37.70000109.6
151I61.1Low81.7Confident170 Ų170101.1 Ų101.187%0.87258%0.579SS**  trans-70.30174.7-43.8178000109.4L144L144-I151 HydrophobicContact CB-CG1 4.45Å; L144-I151 HydrophobicContact CD1-CD1 4.48Å; L144-I151 HydrophobicContact CD1-CG1 3.95Å

Retrieved 151 of 151 residues in 68.3 ms (Link to these results)

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