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Putative peptidyl-tRNA hydrolase PTRHD1

As a putative peptidyl-tRNA hydrolase, it might be involved in releasing tRNAs from the ribosome during protein synthesis (Probable). Some evidence, however, suggests that it lacks peptidyl-tRNA hydrolase activity1.

AlphaFold DB , UniProt , Accession Q6GMV3, Species HUMAN (Homo sapiens, Human), Gene PTRHD1, Length 140 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
1M48.1Very low56.7Low232 Ų232155.9 Ų155.9100%1.14385%0.846SS**  0107.80-67.3-179.3171.600107.6
2H49.4Very low56.9Low200 Ų200152.9 Ų152.993%0.92684%0.836SS**  trans176.3141.7148.5-93.2-61.7000109.5
3R53.6Low56.5Low239 Ų239158.1 Ų158.190%0.90284%0.836SS**  trans-76.6138.1-152.8-73.2168.9163.7171.9-6.1113.5
4G52.6Low56.1Low79 Ų79161.3 Ų161.381%0.81484%0.839SS**  trans-74.9136164.400000111.8
5V61.4Low56Low145 Ų145161.9 Ų161.988%0.87984%0.839SS**  trans-94.6111.7171.1175.60000107.1
6G64.3Low55.4Low58 Ų58158 Ų15860%0.59884%0.838SS**  trans-81.4148.917300000111.5
7P58.6Low55.1Low113 Ų113154.6 Ų154.673%0.73484%0.837SS**  trans-78131.9-176.931.7-31000110.6F9P7-F9 PolarHBondContact O-N 3.14Å
8A58.4Low54.8Low101 Ų101152.2 Ų152.284%0.83583%0.834SS**  trans-70.3108.8172.700000110R10A8-R10 PolarHBondContact O-N 3.21Å; A8-R10 VanDerWaalsContact O-N 3.14Å
9F55.4Low54.2Low192 Ų192148.7 Ų148.784%0.84284%0.836SS**  trans-68.1104.8168-92.1-95.5000109.7P7 V11P7-F9 PolarHBondContact O-N 3.14Å; F9-V11 PolarHBondContact O-N 3.12Å
10R61.7Low54.4Low229 Ų229145.4 Ų145.486%0.86483%0.829SS**  trans-8297.8171.7-164.9176.2-177-1740.8108.8A8 V12A8-R10 PolarHBondContact O-N 3.21Å; A8-R10 VanDerWaalsContact O-N 3.14Å; R10-V12 PolarHBondContact O-N 3.29Å; R10-V12 VanDerWaalsContact O-N 3.12Å
11V59.9Low54.9Low127 Ų127146.5 Ų146.577%0.7783%0.827SS**  trans-67.5105.9172.4177.30000108.8F9 R13F9-V11 PolarHBondContact O-N 3.12Å; V11-R13 PolarHBondContact O-N 3.35Å
12V59.4Low55.9Low120 Ų120139 Ų13973%0.72780%0.796SS**  trans-80.7103.7169178.20000107.8R10 K14R10-V12 PolarHBondContact O-N 3.29Å; R10-V12 VanDerWaalsContact O-N 3.12Å; V12-K14 PolarHBondContact O-N 3.13Å; V12-K14 VanDerWaalsContact O-N 3.13Å
13R52Low57.5Low220 Ų220134.8 Ų134.883%0.8378%0.776SS**  trans-69.3102166.6-102.9179.5168.5176.2-3.6108.7V11 M15V11-R13 PolarHBondContact O-N 3.35Å; R13-M15 PolarHBondContact O-N 3.24Å
14K51Low59.3Low203 Ų203127.4 Ų127.488%0.88376%0.757SS**  trans-69.6104.1162.3-126.5177.7-179.8-178.60107V12 A16V12-K14 PolarHBondContact O-N 3.13Å; V12-K14 VanDerWaalsContact O-N 3.13Å; K14-A16 PolarHBondContact O-N 3.33Å
15M53.5Low61.4Low171 Ų171124.6 Ų124.684%0.84272%0.724SS**PPolyproline II helixtrans-73.3122.3167.7-74-163.4170.500108.2R13 A17R13-M15 PolarHBondContact O-N 3.24Å; M15-A17 PolarHBondContact O-N 3.46Å
16A46.5Very low63.1Low99 Ų99118.3 Ų118.382%0.81869%0.686SS**PPolyproline II helixtrans-65.9119.8172.400000108.7K14 S18K14-A16 PolarHBondContact O-N 3.33Å; A16-S18 PolarHBondContact O-N 3.1Å
17A50.9Low64.8Low100 Ų100115.6 Ų115.683%0.82666%0.657SS**PPolyproline II helixtrans-61.3117.1164.600000107.4M15 G19M15-A17 PolarHBondContact O-N 3.46Å; A17-G19 PolarHBondContact O-N 3.19Å; A17-G19 VanDerWaalsContact O-N 3.1Å
18S49.2Very low66.7Low112 Ų112111.2 Ų111.278%0.78363%0.626SS**  trans-61114.3171.156.50000107.9A16 A20A16-S18 PolarHBondContact O-N 3.1Å; S18-A20 PolarHBondContact O-N 3.28Å
19G44.2Very low68.6Low85 Ų85106.6 Ų106.688%0.87659%0.588SS**  trans-7067.2176.700000111.9A17 E21A17-G19 PolarHBondContact O-N 3.19Å; A17-G19 VanDerWaalsContact O-N 3.1Å; G19-E21 PolarHBondContact O-N 2.79Å
20A58.8Low70.7Confident82 Ų8297.5 Ų97.568%0.67855%0.548SS*.  trans-70.3120.6163.300000107.4S18S18-A20 PolarHBondContact O-N 3.28Å
21E63.5Low72.4Confident169 Ų16986.8 Ų86.879%0.7951%0.508SS*.  trans-47.5135.1168.4-80.9-77.6153.500109.3G19 Q23G19-E21 PolarHBondContact O-N 2.79Å; E21-Q23 PolarHBondContact O-N 3.49Å
22P69.6Low74.3Confident76 Ų7681 Ų8149%0.49447%0.472SS..  trans-55.5115.8-179.3-21.830.5000110.2V24P22-V24 PolarHBondContact O-N 3.35Å
23Q83Confident76.1Confident110 Ų11077.5 Ų77.551%0.51445%0.447SS..  trans-60126.2-179.9-170170.232.600109.4E21 L25 P125E21-Q23 PolarHBondContact O-N 3.49Å; Q23-L25 PolarHBondContact O-N 3.12Å; Q23-L25 VanDerWaalsContact O-N 3.13Å; Q23-P125 VanDerWaalsContact CD-CB 3.46Å; Q23-P125 VanDerWaalsContact CD-CG 3.42Å; Q23-P125 HydrophobicContact CG-CB 4.05Å; Q23-P125 HydrophobicContact CG-CG 4.17Å; Q23-P125 VanDerWaalsContact NE2-CB 3.27Å; Q23-P125 VanDerWaalsContact OE1-CG 3.26Å
24V91.2Very high78.3Confident84 Ų8468.2 Ų68.251%0.50941%0.414SS..  trans-70.2113.9-178.1179.40000109.2P22 V26P22-V24 PolarHBondContact O-N 3.35Å; V24-V26 HydrophobicContact CG1-CG2 4.34Å
25L97Very high80.6Confident21 Ų2158.5 Ų58.511%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-89.2134.2175.8-63.8174.7000110.7Q23 H67 A70 Y71 P123 P125Q23-L25 PolarHBondContact O-N 3.12Å; Q23-L25 VanDerWaalsContact O-N 3.13Å; L25-H67 HydrophobicContact CD1-CB 3.92Å; L25-H67 WeakPolarHBondContact CD1-O 3.22Å; L25-H67 HydrophobicContact CD2-CB 3.94Å; L25-A70 HydrophobicContact CD1-CB 3.99Å; L25-Y71 HydrophobicContact CB-CD2 3.87Å; L25-P123 HydrophobicContact CB-CB 4.26Å; L25-P125 HydrophobicContact CD2-CG 3.96Å
26V97.7Very high82.7Confident13 Ų1352 Ų528%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-126135-179.3-174.80000108.9V24 Y28 R79 V81 Y124V24-V26 HydrophobicContact CG1-CG2 4.34Å; V26-Y28 HydrophobicContact CB-CD2 4.17Å; V26-Y28 HydrophobicContact CB-CE2 3.65Å; V26-Y28 HydrophobicContact CG1-CD2 3.95Å; V26-Y28 HydrophobicContact CG1-CE1 4.3Å; V26-Y28 HydrophobicContact CG1-CE2 3.61Å; V26-Y28 HydrophobicContact CG1-CG 4.43Å; V26-R79 HydrophobicContact CG1-CB 4.41Å; V26-R79 HydrophobicContact CG2-CB 4.22Å; V26-V81 HydrophobicContact CG1-CB 4.28Å; V26-V81 HydrophobicContact CG1-CG2 3.71Å; V26-Y124 PolarHBondContact N-O 3.47Å; V26-Y124 PolarHBondContact O-N 2.71Å
27Q98.6Very high85.1Confident0 Ų052.6 Ų52.60%033%0.329CS..EExtended strand (participates in β ladder)trans-92.2117.5165.7-170.517728.900109L29 A55 R79 K80 V81 L121Q27-L29 HydrophobicContact CG-CD1 4.25Å; Q27-A55 PolarHBondContact NE2-O 3.33Å; Q27-A55 VanDerWaalsContact NE2-O 3.13Å; Q27-R79 PolarHBondContact N-O 3.03Å; Q27-K80 HydrophobicContact CB-CG 4.24Å; Q27-K80 VanDerWaalsContact O-CA 3.27Å; Q27-K80 WeakPolarHBondContact O-CA 3.49Å; Q27-V81 PolarHBondContact O-N 3.02Å; Q27-L121 VanDerWaalsContact CG-O 3.27Å; Q27-L121 WeakPolarHBondContact CG-O 3.39Å; Q27-L121 PolarHBondContact NE2-O 2.98Å
28Y98.8Very high87.3Confident21 Ų2151.9 Ų51.98%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-94.3135.3176.1-73.5-88.2000110.4V26 V81 L83 L121 V129 L133V26-Y28 HydrophobicContact CB-CD2 4.17Å; V26-Y28 HydrophobicContact CB-CE2 3.65Å; V26-Y28 HydrophobicContact CG1-CD2 3.95Å; V26-Y28 HydrophobicContact CG1-CE1 4.3Å; V26-Y28 HydrophobicContact CG1-CE2 3.61Å; V26-Y28 HydrophobicContact CG1-CG 4.43Å; Y28-V81 WeakPolarHBondContact CA-O 3.39Å; Y28-V81 HydrophobicContact CD1-CB 3.65Å; Y28-V81 HydrophobicContact CD1-CG1 3.91Å; Y28-V81 HydrophobicContact CD1-CG2 4.4Å; Y28-V81 HydrophobicContact CE1-CB 3.65Å; Y28-V81 HydrophobicContact CE1-CG1 3.81Å; Y28-V81 HydrophobicContact CE1-CG2 3.96Å; Y28-L83 HydrophobicContact CD1-CD1 4.16Å; Y28-L121 PolarHBondContact O-N 3.46Å; Y28-V129 HydrophobicContact CD2-CG2 3.86Å; Y28-V129 HydrophobicContact CE2-CG2 3.92Å; Y28-L133 HydrophobicContact CD1-CD1 3.53Å; Y28-L133 HydrophobicContact CD2-CD1 3.87Å; Y28-L133 HydrophobicContact CE1-CD1 4.19Å; Y28-L133 HydrophobicContact CE2-CD1 4.47Å; Y28-L133 HydrophobicContact CG-CD1 3.35Å
29L98.8Very high89.5Confident5 Ų552.1 Ų52.13%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-121.5141.5173-61.681.6000108.5Q27 A51 A55 K80 V81 V82 L83 I119 A120Q27-L29 HydrophobicContact CG-CD1 4.25Å; L29-A51 HydrophobicContact CD2-CB 3.76Å; L29-A51 VanDerWaalsContact CD2-O 3.29Å; L29-A51 WeakPolarHBondContact CD2-O 3.2Å; L29-A55 HydrophobicContact CD2-CB 4.03Å; L29-K80 HydrophobicContact CD1-CB 4.29Å; L29-K80 HydrophobicContact CD1-CD 4.5Å; L29-K80 HydrophobicContact CD1-CG 4.43Å; L29-V81 PolarHBondContact N-O 2.81Å; L29-V82 HydrophobicContact CB-CG1 4.44Å; L29-V82 HydrophobicContact CB-CG2 4.49Å; L29-L83 PolarHBondContact O-N 3.18Å; L29-I119 CarbonylContact C-O 3.53Å; L29-I119 VanDerWaalsContact CA-O 3.22Å; L29-I119 WeakPolarHBondContact CA-O 3.09Å; L29-A120 HydrophobicContact CG-CB 4.19Å
30V98.9Very high91.9Very high0 Ų052.2 Ų52.20%030%0.299CS..EExtended strand (participates in β ladder)trans-122.9111.5171.5-171.40000107.5L83 A85 L91 L94 C118 I119 L133 F136V30-L83 CarbonylContact C-O 3.58Å; V30-L83 WeakPolarHBondContact CA-O 3.29Å; V30-L83 HydrophobicContact CG2-CB 4.22Å; V30-L83 HydrophobicContact CG2-CD1 4.33Å; V30-A85 HydrophobicContact CG1-CB 3.7Å; V30-L91 HydrophobicContact CB-CD1 4.08Å; V30-L91 HydrophobicContact CG1-CD1 3.93Å; V30-L91 WeakPolarHBondContact O-CD1 3.25Å; V30-L94 HydrophobicContact CB-CD2 3.99Å; V30-L94 HydrophobicContact CG1-CD2 4.15Å; V30-L94 HydrophobicContact CG2-CD2 3.54Å; V30-C118 CarbonylContact O-C 3.53Å; V30-C118 VanDerWaalsContact O-CA 3.28Å; V30-C118 WeakPolarHBondContact O-CA 3.39Å; V30-C118 PolarHBondContact O-SG 3.17Å; V30-I119 HydrophobicContact CB-CB 4.48Å; V30-I119 PolarHBondContact N-O 3.41Å; V30-I119 PolarHBondContact O-N 2.94Å; V30-L133 HydrophobicContact CG2-CD2 4.05Å; V30-F136 HydrophobicContact CG1-CD1 3.8Å; V30-F136 HydrophobicContact CG1-CE1 4.01Å; V30-F136 HydrophobicContact CG1-CG 4.26Å
31L98.8Very high93.8Very high5 Ų552 Ų523%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-108.3137.2-174.7-179.663.2000109.4K33 L47 Q50 A51 V82 L83 E84 A85 C118 F139L31-K33 PolarHBondContact O-N 3.17Å; L31-L47 HydrophobicContact CD2-CB 4.15Å; L31-Q50 HydrophobicContact CD1-CB 4.18Å; L31-A51 HydrophobicContact CD2-CB 4.39Å; L31-V82 HydrophobicContact CB-CG1 4.3Å; L31-L83 PolarHBondContact N-O 2.9Å; L31-E84 WeakPolarHBondContact O-CA 3.38Å; L31-A85 PolarHBondContact O-N 3.17Å; L31-C118 HydrophobicContact CD1-CB 3.84Å; L31-F139 HydrophobicContact CB-CD2 3.94Å; L31-F139 HydrophobicContact CB-CE2 3.96Å; L31-F139 HydrophobicContact CD2-CD2 4.03Å; L31-F139 HydrophobicContact CD2-CE1 4.33Å; L31-F139 HydrophobicContact CD2-CE2 3.59Å; L31-F139 HydrophobicContact CD2-CZ 3.75Å; L31-F139 HydrophobicContact CG-CD2 4.2Å; L31-F139 HydrophobicContact CG-CE2 3.72Å; L31-F139 HydrophobicContact CG-CZ 4.31Å
32R98.5Very high95.4Very high4 Ų446.5 Ų46.52%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-63.3125.3173.3-90.6175.269.9178.55.5111.7D34 L35 E88 L91 A116 T117R32-D34 VanDerWaalsContact CB-OD1 3.29Å; R32-D34 WeakPolarHBondContact CB-OD1 3.04Å; R32-D34 IonicContact CZ-OD1 3.64Å; R32-D34 IonicContact CZ-OD2 3.81Å; R32-D34 IonicContact NE-OD1 3.92Å; R32-D34 PolarHBondContact NE-OD1 2.95Å; R32-D34 IonicContact NE-OD2 3.59Å; R32-D34 PolarHBondContact NE-OD2 2.91Å; R32-D34 IonicContact NH2-OD1 3.42Å; R32-D34 IonicContact NH2-OD2 3.82Å; R32-D34 PolarHBondContact NH2-OD2 2.79Å; R32-L35 HydrophobicContact CB-CD1 3.7Å; R32-L35 HydrophobicContact CB-CG 3.84Å; R32-E88 IonicContact CZ-OE2 2.94Å; R32-E88 IonicContact NH1-OE2 2.75Å; R32-E88 PolarHBondContact NH1-OE2 3.05Å; R32-E88 IonicContact NH2-OE2 3.71Å; R32-L91 HydrophobicContact CG-CB 4.39Å; R32-L91 HydrophobicContact CG-CD2 4.06Å; R32-A116 WeakPolarHBondContact CD-O 3.38Å; R32-A116 PolarHBondContact NH1-O 3.46Å; R32-T117 WeakPolarHBondContact CB-O 3.4Å; R32-T117 PolarHBondContact N-O 3.16Å
33K98.2Very high96.7Very high47 Ų4747.3 Ų47.320%0.20427%0.269CS..SBendtrans-86.5-32.7179.6-177.659.4-177.2165.80112.6L31 L35 S36 E84 A85 F139 K140L31-K33 PolarHBondContact O-N 3.17Å; K33-L35 PolarHBondContact O-N 3Å; K33-S36 PolarHBondContact NZ-OG 2.99Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.43Å; K33-S36 PolarHBondContact O-OG 3.37Å; K33-E84 HydrophobicContact CB-CB 4.05Å; K33-A85 PolarHBondContact N-O 3.22Å; K33-F139 HydrophobicContact CB-CE2 4.37Å; K33-F139 HydrophobicContact CD-CE2 3.93Å; K33-F139 HydrophobicContact CD-CZ 3.96Å; K33-K140 WeakPolarHBondContact CE-O 3.48Å; K33-K140 PolarHBondContact NZ-O 2.98Å
34D98.1Very high97.4Very high25 Ų2545.7 Ų45.713%0.13428%0.275CS..G310 helixtrans-57.1-30.6176.862.8-36.7000113.3R32 S36 Q37 P86R32-D34 VanDerWaalsContact CB-OD1 3.29Å; R32-D34 WeakPolarHBondContact CB-OD1 3.04Å; R32-D34 IonicContact CZ-OD1 3.64Å; R32-D34 IonicContact CZ-OD2 3.81Å; R32-D34 IonicContact NE-OD1 3.92Å; R32-D34 PolarHBondContact NE-OD1 2.95Å; R32-D34 IonicContact NE-OD2 3.59Å; R32-D34 PolarHBondContact NE-OD2 2.91Å; R32-D34 IonicContact NH2-OD1 3.42Å; R32-D34 IonicContact NH2-OD2 3.82Å; R32-D34 PolarHBondContact NH2-OD2 2.79Å; D34-S36 PolarHBondContact O-N 3.38Å; D34-S36 VanDerWaalsContact O-N 3.11Å; D34-Q37 WeakPolarHBondContact O-CA 3.35Å; D34-Q37 WeakPolarHBondContact O-CB 3.47Å; D34-Q37 PolarHBondContact O-N 2.91Å; D34-P86 VanDerWaalsContact CB-O 3.25Å; D34-P86 WeakPolarHBondContact CB-O 3.41Å; D34-P86 PolarHBondContact N-O 3.32Å
35L98Very high97.8Very high0 Ų044.3 Ų44.30%028%0.277CS..G310 helixtrans-55.8-30.2175.6-66.7175.4000112.6R32 K33 Q37 F40 S41 W42 L47 I115 T117R32-L35 HydrophobicContact CB-CD1 3.7Å; R32-L35 HydrophobicContact CB-CG 3.84Å; K33-L35 PolarHBondContact O-N 3Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.22Å; L35-F40 HydrophobicContact CD2-CB 4.46Å; L35-F40 HydrophobicContact CD2-CD1 4.22Å; L35-F40 HydrophobicContact CD2-CD2 4.24Å; L35-F40 HydrophobicContact CD2-CG 4.06Å; L35-F40 WeakPolarHBondContact O-CB 3.26Å; L35-S41 PolarHBondContact O-N 3.45Å; L35-W42 HydrophobicContact CB-CD2 4.21Å; L35-W42 HydrophobicContact CB-CE3 4.31Å; L35-W42 HydrophobicContact CB-CG 4.32Å; L35-W42 HydrophobicContact CD1-CE3 4.05Å; L35-W42 HydrophobicContact CD1-CH2 4.42Å; L35-W42 HydrophobicContact CD1-CZ3 3.98Å; L35-W42 HydrophobicContact CD2-CD2 4.32Å; L35-W42 HydrophobicContact CD2-CH2 4.5Å; L35-W42 HydrophobicContact CD2-CZ2 4.26Å; L35-W42 VanDerWaalsContact O-CB 3.28Å; L35-W42 WeakPolarHBondContact O-CB 3.41Å; L35-W42 PolarHBondContact O-N 2.9Å; L35-L47 HydrophobicContact CB-CD2 3.58Å; L35-L47 HydrophobicContact CD1-CD2 4.26Å; L35-I115 HydrophobicContact CD2-CD1 4.12Å; L35-T117 HydrophobicContact CD1-CG2 3.86Å
36S97.7Very high97.8Very high35 Ų3544.8 Ų44.825%0.24529%0.285CS..G310 helixtrans-78.8-7.7176.7700000114.4K33 D34K33-S36 PolarHBondContact NZ-OG 2.99Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.43Å; K33-S36 PolarHBondContact O-OG 3.37Å; D34-S36 PolarHBondContact O-N 3.38Å; D34-S36 VanDerWaalsContact O-N 3.11Å
37Q97.4Very high97.8Very high110 Ų11044.7 Ų44.751%0.51428%0.283SS..SBendtrans-113.3162.1-172.7-61.2177.6-1400110.5D34 L35 F40 S41D34-Q37 WeakPolarHBondContact O-CA 3.35Å; D34-Q37 WeakPolarHBondContact O-CB 3.47Å; D34-Q37 PolarHBondContact O-N 2.91Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.22Å; Q37-F40 PolarHBondContact O-N 3.35Å; Q37-S41 PolarHBondContact O-N 3.33Å
38A96.3Very high97.8Very high85 Ų8549 Ų4970%0.70231%0.309SS*.THydrogen-bonded Turntrans-59138.9171.400000109.6
39P95.7Very high97.8Very high118 Ų11849.7 Ų49.777%0.76632%0.319SS*.THydrogen-bonded Turncis-89.8-7.410.335.3-36.3000115.4
40F96.1Very high97.8Very high87 Ų8749.7 Ų49.738%0.38232%0.32SS..THydrogen-bonded Turntrans-74.4-48.6-174.8-61.7-71.9000112.6L35 Q37 W42L35-F40 HydrophobicContact CD2-CB 4.46Å; L35-F40 HydrophobicContact CD2-CD1 4.22Å; L35-F40 HydrophobicContact CD2-CD2 4.24Å; L35-F40 HydrophobicContact CD2-CG 4.06Å; L35-F40 WeakPolarHBondContact O-CB 3.26Å; Q37-F40 PolarHBondContact O-N 3.35Å; F40-W42 VanDerWaalsContact C-N 3.26Å; F40-W42 PolarHBondContact O-N 3.11Å
41S97.1Very high97.7Very high78 Ų7850.2 Ų50.255%0.54532%0.324SS..  trans51.439177.3-63.30000114.4L35 Q37L35-S41 PolarHBondContact O-N 3.45Å; Q37-S41 PolarHBondContact O-N 3.33Å
42W97.8Very high97.7Very high53 Ų5353.3 Ų53.320%0.20135%0.345CS..  trans-62.6136.1178.9-73.417.2000111.1L35 F40 A46 L47 Q50 E110 I115 T117L35-W42 HydrophobicContact CB-CD2 4.21Å; L35-W42 HydrophobicContact CB-CE3 4.31Å; L35-W42 HydrophobicContact CB-CG 4.32Å; L35-W42 HydrophobicContact CD1-CE3 4.05Å; L35-W42 HydrophobicContact CD1-CH2 4.42Å; L35-W42 HydrophobicContact CD1-CZ3 3.98Å; L35-W42 HydrophobicContact CD2-CD2 4.32Å; L35-W42 HydrophobicContact CD2-CH2 4.5Å; L35-W42 HydrophobicContact CD2-CZ2 4.26Å; L35-W42 VanDerWaalsContact O-CB 3.28Å; L35-W42 WeakPolarHBondContact O-CB 3.41Å; L35-W42 PolarHBondContact O-N 2.9Å; F40-W42 VanDerWaalsContact C-N 3.26Å; F40-W42 PolarHBondContact O-N 3.11Å; W42-A46 HydrophobicContact CB-CB 4.37Å; W42-A46 HydrophobicContact CE3-CB 4.1Å; W42-L47 HydrophobicContact CB-CD2 4.15Å; W42-L47 HydrophobicContact CB-CG 4.33Å; W42-L47 HydrophobicContact CE3-CD2 4.13Å; W42-Q50 HydrophobicContact CE3-CG 4.42Å; W42-Q50 HydrophobicContact CZ3-CG 3.65Å; W42-E110 HydrophobicContact CH2-CB 4.13Å; W42-E110 HydrophobicContact CH2-CG 3.93Å; W42-I115 HydrophobicContact CH2-CD1 4.05Å; W42-I115 HydrophobicContact CZ2-CD1 3.76Å; W42-T117 HydrophobicContact CH2-CG2 3.78Å; W42-T117 HydrophobicContact CZ3-CG2 3.98Å
43P97.8Very high97.7Very high93 Ų9357.3 Ų57.360%0.60436%0.364SS*.  trans-67.3153.5175.129.6-34.8000110.4G45 A46 L47P43-G45 PolarHBondContact O-N 2.88Å; P43-G45 VanDerWaalsContact O-N 3.08Å; P43-A46 HydrophobicContact CG-CB 3.98Å; P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; P43-L47 PolarHBondContact O-N 3.42Å
44A97.7Very high97.8Very high76 Ų7655.1 Ų55.163%0.62835%0.354SS*.Hα-helixtrans-52.6-36.7179.800000113.1A46 L47 V48A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.38Å; A44-L47 PolarHBondContact O-N 3.42Å; A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 2.81Å
45G98.1Very high97.8Very high54 Ų5454.1 Ų54.156%0.55735%0.35SS*.Hα-helixtrans-60-39.3176.500000113.7P43 V48 A49P43-G45 PolarHBondContact O-N 2.88Å; P43-G45 VanDerWaalsContact O-N 3.08Å; G45-V48 PolarHBondContact O-N 3.11Å; G45-A49 PolarHBondContact O-N 3.24Å
46A97.7Very high97.8Very high32 Ų3258.6 Ų58.626%0.26438%0.377SS..Hα-helixtrans-66.5-44.2177.300000110.9W42 P43 A44 V48 A49 Q50W42-A46 HydrophobicContact CB-CB 4.37Å; W42-A46 HydrophobicContact CE3-CB 4.1Å; P43-A46 HydrophobicContact CG-CB 3.98Å; P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 3.38Å; A46-V48 VanDerWaalsContact C-N 3.34Å; A46-V48 PolarHBondContact O-N 2.8Å; A46-A49 WeakPolarHBondContact O-CB 3.32Å; A46-A49 PolarHBondContact O-N 3.26Å; A46-A49 VanDerWaalsContact O-N 3.16Å; A46-Q50 WeakPolarHBondContact O-CG 3.46Å; A46-Q50 PolarHBondContact O-N 3.27Å; A46-Q50 VanDerWaalsContact O-N 3.07Å
47L98.1Very high97.9Very high10 Ų1057.9 Ų57.95%0.05237%0.373CS..Hα-helixtrans-60-43.5176.9-61.6172.7000112.1L31 L35 W42 P43 A44 Q50 A51 F139L31-L47 HydrophobicContact CD2-CB 4.15Å; L35-L47 HydrophobicContact CB-CD2 3.58Å; L35-L47 HydrophobicContact CD1-CD2 4.26Å; W42-L47 HydrophobicContact CB-CD2 4.15Å; W42-L47 HydrophobicContact CB-CG 4.33Å; W42-L47 HydrophobicContact CE3-CD2 4.13Å; P43-L47 PolarHBondContact O-N 3.42Å; A44-L47 PolarHBondContact O-N 3.42Å; L47-Q50 PolarHBondContact O-N 2.71Å; L47-A51 PolarHBondContact O-N 3.25Å; L47-F139 HydrophobicContact CD1-CZ 4.32Å
48V98.2Very high97.9Very high90 Ų9052.6 Ų52.655%0.54535%0.348SS..Hα-helixtrans-61.9-43.4175170.80000110.9A44 G45 A46 Q50 A51 C52A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 2.81Å; G45-V48 PolarHBondContact O-N 3.11Å; A46-V48 VanDerWaalsContact C-N 3.34Å; A46-V48 PolarHBondContact O-N 2.8Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.9Å; V48-A51 PolarHBondContact O-N 3.39Å; V48-C52 WeakPolarHBondContact O-CB 3.18Å; V48-C52 PolarHBondContact O-N 2.92Å; V48-C52 PolarHBondContact O-SG 3.4Å; V48-C52 VanDerWaalsContact O-SG 3.32Å
49A98.3Very high98.1Very high36 Ų3649.7 Ų49.730%0.29832%0.321SS..Hα-helixtrans-58.7-44.7177.800000111.7G45 A46 A51 C52 H53G45-A49 PolarHBondContact O-N 3.24Å; A46-A49 WeakPolarHBondContact O-CB 3.32Å; A46-A49 PolarHBondContact O-N 3.26Å; A46-A49 VanDerWaalsContact O-N 3.16Å; A49-A51 PolarHBondContact O-N 2.9Å; A49-C52 WeakPolarHBondContact O-CB 3.42Å; A49-C52 PolarHBondContact O-N 3.46Å; A49-H53 PolarHBondContact O-CD2 3.37Å; A49-H53 PolarHBondContact O-N 2.9Å
50Q98.5Very high98.2Very high6 Ų649.9 Ų49.93%0.02831%0.311CS..Hα-helixtrans-58.7-46.9176.9-62.7-52.3-56.500112.8L31 W42 A46 L47 V48 C52 H53 A54 W108 E110 T117L31-Q50 HydrophobicContact CD1-CB 4.18Å; W42-Q50 HydrophobicContact CE3-CG 4.42Å; W42-Q50 HydrophobicContact CZ3-CG 3.65Å; A46-Q50 WeakPolarHBondContact O-CG 3.46Å; A46-Q50 PolarHBondContact O-N 3.27Å; A46-Q50 VanDerWaalsContact O-N 3.07Å; L47-Q50 PolarHBondContact O-N 2.71Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.9Å; Q50-C52 VanDerWaalsContact C-N 3.32Å; Q50-C52 PolarHBondContact O-N 3.13Å; Q50-H53 PolarHBondContact O-N 3Å; Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.03Å; Q50-W108 VanDerWaalsContact OE1-NE1 3.09Å; Q50-E110 PolarHBondContact NE2-OE2 3.4Å; Q50-E110 PolarHBondContact OE1-OE2 2.94Å; Q50-E110 VanDerWaalsContact OE1-OE2 3.1Å; Q50-T117 HydrophobicContact CG-CG2 4.17Å; Q50-T117 PolarHBondContact OE1-OG1 3.43Å
51A98.6Very high98.3Very high11 Ų1149.2 Ų49.29%0.09132%0.315CS..Hα-helixtrans-62.1-4117700000111.7L29 L31 L47 V48 A49 A55L29-A51 HydrophobicContact CD2-CB 3.76Å; L29-A51 VanDerWaalsContact CD2-O 3.29Å; L29-A51 WeakPolarHBondContact CD2-O 3.2Å; L31-A51 HydrophobicContact CD2-CB 4.39Å; L47-A51 PolarHBondContact O-N 3.25Å; V48-A51 PolarHBondContact O-N 3.39Å; A49-A51 PolarHBondContact O-N 2.9Å; A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.41Å
52C98.6Very high98.4Very high69 Ų6947.1 Ų47.147%0.46630%0.296SS..Hα-helixtrans-64.5-42.6175.9-73.60000112.5V48 A49 Q50 T56V48-C52 WeakPolarHBondContact O-CB 3.18Å; V48-C52 PolarHBondContact O-N 2.92Å; V48-C52 PolarHBondContact O-SG 3.4Å; V48-C52 VanDerWaalsContact O-SG 3.32Å; A49-C52 WeakPolarHBondContact O-CB 3.42Å; A49-C52 PolarHBondContact O-N 3.46Å; Q50-C52 VanDerWaalsContact C-N 3.32Å; Q50-C52 PolarHBondContact O-N 3.13Å; C52-T56 VanDerWaalsContact O-CB 3.31Å; C52-T56 WeakPolarHBondContact O-CB 3.46Å; C52-T56 PolarHBondContact O-N 2.88Å; C52-T56 PolarHBondContact O-OG1 3.05Å
53H98.5Very high98.4Very high89 Ų8950.3 Ų50.341%0.41231%0.308SS..Hα-helixtrans-62-51175.9-74.3-56.9000111.1A49 Q50 A55 T56 A57 W108A49-H53 PolarHBondContact O-CD2 3.37Å; A49-H53 PolarHBondContact O-N 2.9Å; Q50-H53 PolarHBondContact O-N 3Å; H53-A55 PolarHBondContact O-N 3.5Å; H53-T56 PolarHBondContact O-N 3.06Å; H53-A57 VanDerWaalsContact O-CB 3.27Å; H53-A57 WeakPolarHBondContact O-CB 3.49Å; H53-A57 PolarHBondContact O-N 3.25Å; H53-W108 HydrophobicContact CB-CD2 3.67Å; H53-W108 HydrophobicContact CB-CE3 4.07Å; H53-W108 HydrophobicContact CB-CG 4.27Å; H53-W108 HydrophobicContact CB-CH2 3.89Å; H53-W108 HydrophobicContact CB-CZ2 3.47Å; H53-W108 VanDerWaalsContact CB-CZ2 3.47Å; H53-W108 HydrophobicContact CB-CZ3 4.17Å; H53-W108 AromaticContact CG-CE2 3.92Å; H53-W108 AromaticContact CG-CZ2 3.66Å
54A98.8Very high98.4Very high0 Ų052.2 Ų52.20%031%0.313CS..Hα-helixtrans-56.4-48.2177.200000111.7Q50 A57 A58 W108 C118 A120Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.03Å; A54-A57 PolarHBondContact O-N 3.38Å; A54-A58 WeakPolarHBondContact O-CB 3.4Å; A54-A58 PolarHBondContact O-N 2.91Å; A54-W108 HydrophobicContact CB-CB 3.7Å; A54-W108 HydrophobicContact CB-CG 4.34Å; A54-C118 HydrophobicContact CB-CB 3.93Å; A54-A120 VanDerWaalsContact C-CB 3.41Å; A54-A120 HydrophobicContact CB-CB 3.76Å; A54-A120 WeakPolarHBondContact O-CB 3.47Å
55A98.8Very high98.4Very high5 Ų551 Ų514%0.04130%0.295CS..Hα-helixtrans-62.2-45.4179.800000112.9Q27 L29 A51 H53 A58 L59Q27-A55 PolarHBondContact NE2-O 3.33Å; Q27-A55 VanDerWaalsContact NE2-O 3.13Å; L29-A55 HydrophobicContact CD2-CB 4.03Å; A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.41Å; H53-A55 PolarHBondContact O-N 3.5Å; A55-A58 PolarHBondContact O-N 3.5Å; A55-L59 VanDerWaalsContact O-CG 3.28Å; A55-L59 WeakPolarHBondContact O-CG 3.46Å; A55-L59 PolarHBondContact O-N 3.37Å
56T98.7Very high98.3Very high94 Ų9453 Ų5358%0.57730%0.297SS*.Hα-helixtrans-63.2-45178.6-59.40000110.8C52 H53 L59 H60C52-T56 VanDerWaalsContact O-CB 3.31Å; C52-T56 WeakPolarHBondContact O-CB 3.46Å; C52-T56 PolarHBondContact O-N 2.88Å; C52-T56 PolarHBondContact O-OG1 3.05Å; H53-T56 PolarHBondContact O-N 3.06Å; T56-L59 PolarHBondContact O-N 3.23Å; T56-H60 WeakPolarHBondContact O-CB 3.44Å; T56-H60 PolarHBondContact O-N 2.87Å
57A98.6Very high98.3Very high19 Ų1953.9 Ų53.916%0.15730%0.296CS..Hα-helixtrans-63.9-42.7178.700000112.1H53 A54 H60 T61 M106 W108H53-A57 VanDerWaalsContact O-CB 3.27Å; H53-A57 WeakPolarHBondContact O-CB 3.49Å; H53-A57 PolarHBondContact O-N 3.25Å; A54-A57 PolarHBondContact O-N 3.38Å; A57-H60 PolarHBondContact O-N 3.27Å; A57-T61 VanDerWaalsContact O-CB 3.28Å; A57-T61 WeakPolarHBondContact O-CB 3.19Å; A57-T61 PolarHBondContact O-N 2.85Å; A57-T61 PolarHBondContact O-OG1 3.45Å; A57-M106 HydrophobicContact CB-CE 4.09Å; A57-M106 HydrophobicContact CB-CG 3.83Å; A57-M106 HydrophobicContact CB-SD 4.32Å; A57-W108 HydrophobicContact CB-CE3 4.15Å; A57-W108 HydrophobicContact CB-CZ3 4.05Å
58A98.8Very high98.3Very high0 Ų053.4 Ų53.40%029%0.294CS..Hα-helixtrans-61.8-45.1175.200000112A54 A55 H62 M106 A120A54-A58 WeakPolarHBondContact O-CB 3.4Å; A54-A58 PolarHBondContact O-N 2.91Å; A55-A58 PolarHBondContact O-N 3.5Å; A58-H62 PolarHBondContact O-CD2 3.06Å; A58-H62 VanDerWaalsContact O-CD2 3.27Å; A58-H62 PolarHBondContact O-N 3.45Å; A58-H62 VanDerWaalsContact O-N 3.12Å; A58-M106 HydrophobicContact CB-CB 3.88Å; A58-A120 HydrophobicContact CB-CB 3.98Å
59L98.6Very high98.2Very high24 Ų2450.8 Ų50.813%0.12628%0.281CS..Hα-helixtrans-63.6-43.6177.3-70.4169.9000111.8A55 T56 H62 R63 T68 Y71 L72 P123A55-L59 VanDerWaalsContact O-CG 3.28Å; A55-L59 WeakPolarHBondContact O-CG 3.46Å; A55-L59 PolarHBondContact O-N 3.37Å; T56-L59 PolarHBondContact O-N 3.23Å; L59-H62 CarbonylContact O-C 3.55Å; L59-R63 VanDerWaalsContact O-CA 3.26Å; L59-R63 WeakPolarHBondContact O-CA 3.27Å; L59-R63 WeakPolarHBondContact O-CB 3.28Å; L59-R63 PolarHBondContact O-N 2.8Å; L59-T68 HydrophobicContact CD2-CG2 3.91Å; L59-Y71 HydrophobicContact CD2-CD1 4.21Å; L59-Y71 HydrophobicContact CD2-CE1 4.34Å; L59-L72 HydrophobicContact CD1-CD2 4.34Å; L59-L72 HydrophobicContact CD2-CD2 4.34Å; L59-P123 HydrophobicContact CD2-CG 3.71Å
60H98.6Very high98.1Very high121 Ų12151.1 Ų51.156%0.5628%0.284SS*.Hα-helixtrans-66-42.6179.7178.973.1000112.4T56 A57 H62 R63T56-H60 WeakPolarHBondContact O-CB 3.44Å; T56-H60 PolarHBondContact O-N 2.87Å; A57-H60 PolarHBondContact O-N 3.27Å; H60-H62 VanDerWaalsContact C-N 3.33Å; H60-H62 PolarHBondContact O-N 3.37Å; H60-R63 PolarHBondContact CE1-NH1 2.91Å; H60-R63 PolarHBondContact NE2-NH1 3.17Å; H60-R63 WeakPolarHBondContact O-CG 3.28Å; H60-R63 PolarHBondContact O-NH1 2.77Å
61T98.6Very high98Very high74 Ų7451.2 Ų51.245%0.45428%0.284SS..Hα-helixtrans-64.9-38.5-178.9-57.30000111.3A57A57-T61 VanDerWaalsContact O-CB 3.28Å; A57-T61 WeakPolarHBondContact O-CB 3.19Å; A57-T61 PolarHBondContact O-N 2.85Å; A57-T61 PolarHBondContact O-OG1 3.45Å
62H98.3Very high97.9Very high34 Ų3454 Ų5416%0.15730%0.297CS..THydrogen-bonded Turntrans-108.926.8-177.9-56.6-73.9000113.2A58 L59 H60 D64 H65 T68 D104 R122A58-H62 PolarHBondContact O-CD2 3.06Å; A58-H62 VanDerWaalsContact O-CD2 3.27Å; A58-H62 PolarHBondContact O-N 3.45Å; A58-H62 VanDerWaalsContact O-N 3.12Å; L59-H62 CarbonylContact O-C 3.55Å; H60-H62 VanDerWaalsContact C-N 3.33Å; H60-H62 PolarHBondContact O-N 3.37Å; H62-D64 PolarHBondContact O-N 3.19Å; H62-H65 HydrophobicContact CB-CB 4.36Å; H62-H65 VanDerWaalsContact O-CB 3.29Å; H62-H65 WeakPolarHBondContact O-CB 3.46Å; H62-H65 PolarHBondContact O-N 2.92Å; H62-T68 WeakPolarHBondContact O-CB 3.18Å; H62-T68 WeakPolarHBondContact O-CG2 3.39Å; H62-T68 PolarHBondContact O-OG1 3.19Å; H62-D104 WeakPolarHBondContact CE1-CB 3.49Å; H62-D104 VanDerWaalsContact CE1-CG 3.44Å; H62-D104 IonicContact CE1-OD1 3.4Å; H62-D104 PolarHBondContact CE1-OD1 3.32Å; H62-D104 IonicContact ND1-OD1 3.77Å; H62-D104 IonicContact ND1-OD2 3.59Å; H62-R122 HydrophobicContact CB-CB 3.91Å
63R98Very high97.8Very high120 Ų12058 Ų5845%0.45331%0.309SS..THydrogen-bonded Turntrans-56.8-32.5-174.465.1-176.3174.8-96.81.2113.9L59 H60 H65L59-R63 VanDerWaalsContact O-CA 3.26Å; L59-R63 WeakPolarHBondContact O-CA 3.27Å; L59-R63 WeakPolarHBondContact O-CB 3.28Å; L59-R63 PolarHBondContact O-N 2.8Å; H60-R63 PolarHBondContact CE1-NH1 2.91Å; H60-R63 PolarHBondContact NE2-NH1 3.17Å; H60-R63 WeakPolarHBondContact O-CG 3.28Å; H60-R63 PolarHBondContact O-NH1 2.77Å; R63-H65 VanDerWaalsContact C-N 3.35Å
64D97.5Very high97.4Very high133 Ų13358.6 Ų58.671%0.71131%0.312SS*.THydrogen-bonded Turntrans-88.5-4.6-177-57.8-47.2000112.5H62H62-D64 PolarHBondContact O-N 3.19Å
65H98.1Very high97.2Very high51 Ų5163.8 Ų63.824%0.23634%0.339CS..SBendtrans-68.9134.7174.8-173-85.2000110H62 R63 H67 T68 A69 R122H62-H65 HydrophobicContact CB-CB 4.36Å; H62-H65 VanDerWaalsContact O-CB 3.29Å; H62-H65 WeakPolarHBondContact O-CB 3.46Å; H62-H65 PolarHBondContact O-N 2.92Å; R63-H65 VanDerWaalsContact C-N 3.35Å; H65-H67 VanDerWaalsContact C-N 3.3Å; H65-H67 AromaticContact CE1-CG 3.72Å; H65-H67 AromaticContact CE1-ND1 3.73Å; H65-H67 AromaticContact ND1-CG 3.97Å; H65-H67 PolarHBondContact ND1-N 3.4Å; H65-H67 VanDerWaalsContact ND1-N 3.17Å; H65-H67 PolarHBondContact O-N 2.95Å; H65-H67 VanDerWaalsContact O-N 3.17Å; H65-T68 WeakPolarHBondContact O-CA 2.89Å; H65-T68 WeakPolarHBondContact O-CB 3.23Å; H65-T68 PolarHBondContact O-N 2.95Å; H65-A69 PolarHBondContact O-N 3.4Å; H65-R122 PolarHBondContact CE1-NH1 3.01Å; H65-R122 VanDerWaalsContact CE1-NH1 3.35Å; H65-R122 PolarHBondContact NE2-NH2 2.98Å
66P96.9Very high96.9Very high94 Ų9467.4 Ų67.461%0.6138%0.377SS*.Hα-helixtrans-53.6-41.2-176-29.535.5000114.5A69 A70P66-A69 PolarHBondContact O-N 2.89Å; P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 3.31Å
67H97.3Very high96.5Very high52 Ų5269.1 Ų69.124%0.24137%0.373CS..Hα-helixtrans-66.9-37.2175.3-63.9168000112.8L25 H65 Y71L25-H67 HydrophobicContact CD1-CB 3.92Å; L25-H67 WeakPolarHBondContact CD1-O 3.22Å; L25-H67 HydrophobicContact CD2-CB 3.94Å; H65-H67 VanDerWaalsContact C-N 3.3Å; H65-H67 AromaticContact CE1-CG 3.72Å; H65-H67 AromaticContact CE1-ND1 3.73Å; H65-H67 AromaticContact ND1-CG 3.97Å; H65-H67 PolarHBondContact ND1-N 3.4Å; H65-H67 VanDerWaalsContact ND1-N 3.17Å; H65-H67 PolarHBondContact O-N 2.95Å; H65-H67 VanDerWaalsContact O-N 3.17Å; H67-Y71 WeakPolarHBondContact O-CB 3.43Å; H67-Y71 PolarHBondContact O-N 2.95Å
68T98Very high96.3Very high0 Ų071.1 Ų71.10%038%0.38CS..Hα-helixtrans-66.2-44.9176.3-52.80000110.5L59 H62 H65 Y71 L72L59-T68 HydrophobicContact CD2-CG2 3.91Å; H62-T68 WeakPolarHBondContact O-CB 3.18Å; H62-T68 WeakPolarHBondContact O-CG2 3.39Å; H62-T68 PolarHBondContact O-OG1 3.19Å; H65-T68 WeakPolarHBondContact O-CA 2.89Å; H65-T68 WeakPolarHBondContact O-CB 3.23Å; H65-T68 PolarHBondContact O-N 2.95Å; T68-Y71 PolarHBondContact O-N 3.13Å; T68-L72 HydrophobicContact CG2-CD1 3.95Å; T68-L72 HydrophobicContact CG2-CG 4.49Å; T68-L72 WeakPolarHBondContact O-CB 3.37Å; T68-L72 WeakPolarHBondContact O-CG 3.26Å; T68-L72 PolarHBondContact O-N 2.8Å
69A97Very high96.2Very high34 Ų3478.5 Ų78.528%0.28141%0.408SS..Hα-helixtrans-59.3-49.2175.900000111.5H65 P66 Y71 L72 Q73H65-A69 PolarHBondContact O-N 3.4Å; P66-A69 PolarHBondContact O-N 2.89Å; A69-Y71 PolarHBondContact O-N 3.15Å; A69-L72 PolarHBondContact O-N 3.29Å; A69-Q73 WeakPolarHBondContact O-CB 3.4Å; A69-Q73 VanDerWaalsContact O-CG 3.23Å; A69-Q73 WeakPolarHBondContact O-CG 3.03Å; A69-Q73 PolarHBondContact O-N 2.8Å
70A95.8Very high96.1Very high43 Ų4382.2 Ų82.236%0.35542%0.423SS..Hα-helixtrans-61.4-42.2177.600000112.6L25 P66 L72 Q73 E74L25-A70 HydrophobicContact CD1-CB 3.99Å; P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 3.31Å; A70-L72 VanDerWaalsContact C-N 3.3Å; A70-L72 PolarHBondContact O-N 2.91Å; A70-Q73 PolarHBondContact O-N 3.38Å; A70-E74 PolarHBondContact O-N 3.31Å
71Y96.6Very high96.1Very high8 Ų878.2 Ų78.23%0.03141%0.407CS..Hα-helixtrans-61.7-37.2176.1-179.1-93.1000112.6L25 L59 H67 T68 A69 M78 R79 K80 P123L25-Y71 HydrophobicContact CB-CD2 3.87Å; L59-Y71 HydrophobicContact CD2-CD1 4.21Å; L59-Y71 HydrophobicContact CD2-CE1 4.34Å; H67-Y71 WeakPolarHBondContact O-CB 3.43Å; H67-Y71 PolarHBondContact O-N 2.95Å; T68-Y71 PolarHBondContact O-N 3.13Å; A69-Y71 PolarHBondContact O-N 3.15Å; Y71-M78 HydrophobicContact CD1-CG 3.9Å; Y71-M78 HydrophobicContact CD1-SD 3.96Å; Y71-M78 HydrophobicContact CD2-CG 4.42Å; Y71-M78 HydrophobicContact CE1-CB 4.09Å; Y71-M78 HydrophobicContact CE1-CG 3.49Å; Y71-M78 VanDerWaalsContact CE1-CG 3.49Å; Y71-M78 HydrophobicContact CE1-SD 3.39Å; Y71-M78 WeakPolarHBondContact CE1-SD 3.39Å; Y71-M78 HydrophobicContact CE2-CB 4.11Å; Y71-M78 HydrophobicContact CE2-CG 4.08Å; Y71-M78 HydrophobicContact CG-CG 4.35Å; Y71-M78 WeakPolarHBondContact O-CG 3.42Å; Y71-R79 WeakPolarHBondContact CE2-O 3.42Å; Y71-R79 PolarHBondContact OH-O 2.98Å; Y71-K80 WeakPolarHBondContact OH-CG 3.22Å; Y71-K80 PolarHBondContact OH-NZ 2.84Å; Y71-K80 VanDerWaalsContact OH-NZ 3.15Å; Y71-P123 HydrophobicContact CD1-CB 4.2Å; Y71-P123 HydrophobicContact CD1-CG 3.48Å; Y71-P123 VanDerWaalsContact CD1-CG 3.48Å; Y71-P123 HydrophobicContact CD2-CB 3.72Å; Y71-P123 HydrophobicContact CD2-CG 3.92Å; Y71-P123 HydrophobicContact CE1-CG 4.06Å; Y71-P123 HydrophobicContact CE2-CB 4.4Å; Y71-P123 HydrophobicContact CE2-CG 4.43Å; Y71-P123 HydrophobicContact CG-CB 3.59Å; Y71-P123 HydrophobicContact CG-CG 3.39Å
72L96.7Very high96.1Very high69 Ų6977.2 Ų77.236%0.36140%0.4SS..Hα-helixtrans-84.4-18.6179.4-66.6175.7000113.8L59 T68 A69 A70 L75 M78L59-L72 HydrophobicContact CD1-CD2 4.34Å; L59-L72 HydrophobicContact CD2-CD2 4.34Å; T68-L72 HydrophobicContact CG2-CD1 3.95Å; T68-L72 HydrophobicContact CG2-CG 4.49Å; T68-L72 WeakPolarHBondContact O-CB 3.37Å; T68-L72 WeakPolarHBondContact O-CG 3.26Å; T68-L72 PolarHBondContact O-N 2.8Å; A69-L72 PolarHBondContact O-N 3.29Å; A70-L72 VanDerWaalsContact C-N 3.3Å; A70-L72 PolarHBondContact O-N 2.91Å; L72-L75 WeakPolarHBondContact O-CD2 3.43Å; L72-M78 HydrophobicContact CD2-SD 4.36Å
73Q95.9Very high96.2Very high153 Ų15376.1 Ų76.172%0.71540%0.396SS*.Hα-helixtrans-71.6-32.5174-79169.29.600112.4A69 A70A69-Q73 WeakPolarHBondContact O-CB 3.4Å; A69-Q73 VanDerWaalsContact O-CG 3.23Å; A69-Q73 WeakPolarHBondContact O-CG 3.03Å; A69-Q73 PolarHBondContact O-N 2.8Å; A70-Q73 PolarHBondContact O-N 3.38Å
74E89.9Confident96.2Very high102 Ų10272.6 Ų72.648%0.47738%0.384SS..  trans-111.867.9179-68.3-154.8-134.200112.2A70 G76 R77A70-E74 PolarHBondContact O-N 3.31Å; E74-G76 PolarHBondContact O-N 3.4Å; E74-R77 HydrophobicContact CB-CB 4.27Å; E74-R77 HydrophobicContact CB-CG 4.44Å; E74-R77 PolarHBondContact O-N 2.93Å; E74-R77 WeakPolarHBondContact OE2-CD 3.27Å
75L93.7Very high96.2Very high109 Ų10966.2 Ų66.257%0.57135%0.35SS*.G310 helixtrans-52.4-35.2-176-61.9-178.9000113.8L72 R77 M78L72-L75 WeakPolarHBondContact O-CD2 3.43Å; L75-R77 PolarHBondContact O-N 3.07Å; L75-M78 HydrophobicContact CB-CE 4.13Å; L75-M78 HydrophobicContact CD2-CE 3.77Å; L75-M78 HydrophobicContact CD2-SD 4.04Å; L75-M78 WeakPolarHBondContact O-CE 3.3Å; L75-M78 PolarHBondContact O-N 3.32Å
76G93.5Very high96.2Very high82 Ų8267.4 Ų67.485%0.84536%0.362SS*.G310 helixtrans-69.5-15178.400000114.9E74E74-G76 PolarHBondContact O-N 3.4Å
77R90.6Very high96.3Very high129 Ų12965.8 Ų65.849%0.48735%0.349SS..G310 helixtrans-104.6-1.7178.7-65.3-175.272.7131-7.1113.6E74 L75 R79E74-R77 HydrophobicContact CB-CB 4.27Å; E74-R77 HydrophobicContact CB-CG 4.44Å; E74-R77 PolarHBondContact O-N 2.93Å; E74-R77 WeakPolarHBondContact OE2-CD 3.27Å; L75-R77 PolarHBondContact O-N 3.07Å; R77-R79 PolarHBondContact O-N 3.16Å
78M94.2Very high96.4Very high62 Ų6265.2 Ų65.231%0.30535%0.346SS..  trans-55.5128.7-179.4-76.8-167.1-65.400111.6Y71 L72 L75Y71-M78 HydrophobicContact CD1-CG 3.9Å; Y71-M78 HydrophobicContact CD1-SD 3.96Å; Y71-M78 HydrophobicContact CD2-CG 4.42Å; Y71-M78 HydrophobicContact CE1-CB 4.09Å; Y71-M78 HydrophobicContact CE1-CG 3.49Å; Y71-M78 VanDerWaalsContact CE1-CG 3.49Å; Y71-M78 HydrophobicContact CE1-SD 3.39Å; Y71-M78 WeakPolarHBondContact CE1-SD 3.39Å; Y71-M78 HydrophobicContact CE2-CB 4.11Å; Y71-M78 HydrophobicContact CE2-CG 4.08Å; Y71-M78 HydrophobicContact CG-CG 4.35Å; Y71-M78 WeakPolarHBondContact O-CG 3.42Å; L72-M78 HydrophobicContact CD2-SD 4.36Å; L75-M78 HydrophobicContact CB-CE 4.13Å; L75-M78 HydrophobicContact CD2-CE 3.77Å; L75-M78 HydrophobicContact CD2-SD 4.04Å; L75-M78 WeakPolarHBondContact O-CE 3.3Å; L75-M78 PolarHBondContact O-N 3.32Å
79R96.3Very high96.4Very high155 Ų15569.4 Ų69.459%0.58537%0.372SS*.EExtended strand (participates in β ladder)trans-117.1136.5172.7-58.9-57.3175.9171.4-0.9110.3V26 Q27 Y71 R77V26-R79 HydrophobicContact CG1-CB 4.41Å; V26-R79 HydrophobicContact CG2-CB 4.22Å; Q27-R79 PolarHBondContact N-O 3.03Å; Y71-R79 WeakPolarHBondContact CE2-O 3.42Å; Y71-R79 PolarHBondContact OH-O 2.98Å; R77-R79 PolarHBondContact O-N 3.16Å
80K97.6Very high96.4Very high101 Ų10169 Ų6944%0.43937%0.366SS..EExtended strand (participates in β ladder)trans-124140.7172.2-68.9-178.2169.354.80108.7Q27 L29 Y71Q27-K80 HydrophobicContact CB-CG 4.24Å; Q27-K80 VanDerWaalsContact O-CA 3.27Å; Q27-K80 WeakPolarHBondContact O-CA 3.49Å; L29-K80 HydrophobicContact CD1-CB 4.29Å; L29-K80 HydrophobicContact CD1-CD 4.5Å; L29-K80 HydrophobicContact CD1-CG 4.43Å; Y71-K80 WeakPolarHBondContact OH-CG 3.22Å; Y71-K80 PolarHBondContact OH-NZ 2.84Å; Y71-K80 VanDerWaalsContact OH-NZ 3.15Å
81V98.3Very high96.6Very high38 Ų3867 Ų6723%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-125.6119.7172.1176.10000107.4V26 Q27 Y28 L29 L83 L138V26-V81 HydrophobicContact CG1-CB 4.28Å; V26-V81 HydrophobicContact CG1-CG2 3.71Å; Q27-V81 PolarHBondContact O-N 3.02Å; Y28-V81 WeakPolarHBondContact CA-O 3.39Å; Y28-V81 HydrophobicContact CD1-CB 3.65Å; Y28-V81 HydrophobicContact CD1-CG1 3.91Å; Y28-V81 HydrophobicContact CD1-CG2 4.4Å; Y28-V81 HydrophobicContact CE1-CB 3.65Å; Y28-V81 HydrophobicContact CE1-CG1 3.81Å; Y28-V81 HydrophobicContact CE1-CG2 3.96Å; L29-V81 PolarHBondContact N-O 2.81Å; V81-L83 HydrophobicContact CG1-CD2 3.75Å; V81-L83 HydrophobicContact CG1-CG 4.1Å; V81-L138 HydrophobicContact CG1-CD2 3.79Å
82V98.6Very high96.7Very high52 Ų5270.9 Ų70.932%0.31537%0.366SS..EExtended strand (participates in β ladder)trans-101.3121.3177.6-168.80000108.3L29 L31 F139L29-V82 HydrophobicContact CB-CG1 4.44Å; L29-V82 HydrophobicContact CB-CG2 4.49Å; L31-V82 HydrophobicContact CB-CG1 4.3Å; V82-F139 HydrophobicContact CB-CB 4.25Å; V82-F139 HydrophobicContact CG1-CB 3.81Å; V82-F139 HydrophobicContact CG1-CG 4.24Å; V82-F139 PolarHBondContact O-N 3.19Å
83L98.8Very high96.8Very high12 Ų1271.9 Ų71.96%0.06337%0.369CS..EExtended strand (participates in β ladder)trans-110.9156.8180-55.1172.5000109.9Y28 L29 V30 L31 V81 L133 F136 R137 L138Y28-L83 HydrophobicContact CD1-CD1 4.16Å; L29-L83 PolarHBondContact O-N 3.18Å; V30-L83 CarbonylContact C-O 3.58Å; V30-L83 WeakPolarHBondContact CA-O 3.29Å; V30-L83 HydrophobicContact CG2-CB 4.22Å; V30-L83 HydrophobicContact CG2-CD1 4.33Å; L31-L83 PolarHBondContact N-O 2.9Å; V81-L83 HydrophobicContact CG1-CD2 3.75Å; V81-L83 HydrophobicContact CG1-CG 4.1Å; L83-L133 HydrophobicContact CD1-CB 3.9Å; L83-L133 HydrophobicContact CD1-CD1 4.37Å; L83-L133 HydrophobicContact CD1-CD2 4.39Å; L83-L133 HydrophobicContact CD1-CG 4.45Å; L83-F136 HydrophobicContact CB-CB 3.88Å; L83-F136 HydrophobicContact CD1-CB 4.12Å; L83-F136 HydrophobicContact CG-CB 4.49Å; L83-R137 CarbonylContact C-O 3.44Å; L83-R137 WeakPolarHBondContact CA-O 3.31Å; L83-R137 WeakPolarHBondContact CB-O 3.45Å; L83-R137 WeakPolarHBondContact CD2-O 3.46Å; L83-L138 HydrophobicContact CD2-CD2 4.12Å
84E98.5Very high96.9Very high45 Ų4564.7 Ų64.721%0.2134%0.336CS..EExtended strand (participates in β ladder)trans-101.4127.5176.155.1-178-15400111.9L31 K33 F136 R137 F139L31-E84 WeakPolarHBondContact O-CA 3.38Å; K33-E84 HydrophobicContact CB-CB 4.05Å; E84-F136 WeakPolarHBondContact O-CD1 3.33Å; E84-R137 HydrophobicContact CG-CB 4.05Å; E84-R137 PolarHBondContact N-O 2.97Å; E84-F139 HydrophobicContact CB-CB 4.5Å; E84-F139 HydrophobicContact CB-CD2 3.85Å
85A98.6Very high97.3Very high0 Ų060.3 Ų60.30%032%0.317CS..EExtended strand (participates in β ladder)trans-93.7137.7157.600000108.7V30 L31 K33 D87 L91 F136V30-A85 HydrophobicContact CG1-CB 3.7Å; L31-A85 PolarHBondContact O-N 3.17Å; K33-A85 PolarHBondContact N-O 3.22Å; A85-D87 VanDerWaalsContact C-N 3.32Å; A85-D87 PolarHBondContact O-N 3.01Å; A85-L91 HydrophobicContact CB-CB 4.21Å; A85-L91 HydrophobicContact CB-CD1 4.08Å; A85-F136 HydrophobicContact CB-CD1 4.25Å; A85-F136 HydrophobicContact CB-CE1 3.99Å
86P98.1Very high97.6Very high75 Ų7560.8 Ų60.849%0.48732%0.316SS..SBendtrans-65.7-34.7-178.126.6-34.5000112.4D34 T90D34-P86 VanDerWaalsContact CB-O 3.25Å; D34-P86 WeakPolarHBondContact CB-O 3.41Å; D34-P86 PolarHBondContact N-O 3.32Å; P86-T90 HydrophobicContact CG-CG2 4.12Å; P86-T90 WeakPolarHBondContact CG-OG1 3.44Å
87D98.3Very high97.8Very high60 Ų6059.2 Ų59.232%0.32129%0.29SS..SBendtrans-154.6178-174.554.637.4000112.3A85 T89 T90 L91A85-D87 VanDerWaalsContact C-N 3.32Å; A85-D87 PolarHBondContact O-N 3.01Å; D87-T89 PolarHBondContact OD1-N 2.85Å; D87-T90 VanDerWaalsContact OD1-CB 3.27Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 2.8Å; D87-T90 PolarHBondContact OD1-OG1 3.4Å; D87-L91 PolarHBondContact O-N 2.87Å
88E98.3Very high98.2Very high40 Ų4053.1 Ų53.119%0.18727%0.267CS..Hα-helixtrans-64.6-37.9178.4-160.9172.2148.400113.5R32 L91 K92 A116R32-E88 IonicContact CZ-OE2 2.94Å; R32-E88 IonicContact NH1-OE2 2.75Å; R32-E88 PolarHBondContact NH1-OE2 3.05Å; R32-E88 IonicContact NH2-OE2 3.71Å; E88-L91 WeakPolarHBondContact O-CB 3.39Å; E88-L91 PolarHBondContact O-N 3.4Å; E88-K92 HydrophobicContact CG-CD 4.23Å; E88-K92 PolarHBondContact O-N 3.33Å; E88-K92 VanDerWaalsContact OE1-CE 3.25Å; E88-K92 WeakPolarHBondContact OE1-CE 3.15Å; E88-K92 IonicContact OE1-NZ 2.79Å; E88-K92 PolarHBondContact OE1-NZ 2.84Å; E88-A116 HydrophobicContact CG-CB 4Å; E88-A116 PolarHBondContact OE1-N 3.11Å
89T98.4Very high98.4Very high89 Ų8956.2 Ų56.255%0.54628%0.281SS..Hα-helixtrans-60.7-50.8-179.7-56.60000110.2D87 L91 K92 E93D87-T89 PolarHBondContact OD1-N 2.85Å; T89-L91 VanDerWaalsContact C-N 3.26Å; T89-L91 PolarHBondContact O-N 2.67Å; T89-K92 PolarHBondContact O-N 3.2Å; T89-K92 VanDerWaalsContact O-N 3.16Å; T89-E93 WeakPolarHBondContact O-CG 3.33Å; T89-E93 PolarHBondContact O-N 2.86Å
90T98.5Very high98.5Very high26 Ų2655.6 Ų55.616%0.1629%0.285CS..Hα-helixtrans-63.3-35.2178.9-50.90000111.6P86 D87 L94 F136P86-T90 HydrophobicContact CG-CG2 4.12Å; P86-T90 WeakPolarHBondContact CG-OG1 3.44Å; D87-T90 VanDerWaalsContact OD1-CB 3.27Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 2.8Å; D87-T90 PolarHBondContact OD1-OG1 3.4Å; T90-L94 PolarHBondContact O-N 2.74Å; T90-F136 HydrophobicContact CG2-CE1 3.77Å; T90-F136 HydrophobicContact CG2-CZ 4.18Å
91L98.7Very high98.5Very high0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-65-46.8174.8-169.773.1000110.9V30 R32 A85 D87 E88 T89 L94 A95 L107 A116 I119V30-L91 HydrophobicContact CB-CD1 4.08Å; V30-L91 HydrophobicContact CG1-CD1 3.93Å; V30-L91 WeakPolarHBondContact O-CD1 3.25Å; R32-L91 HydrophobicContact CG-CB 4.39Å; R32-L91 HydrophobicContact CG-CD2 4.06Å; A85-L91 HydrophobicContact CB-CB 4.21Å; A85-L91 HydrophobicContact CB-CD1 4.08Å; D87-L91 PolarHBondContact O-N 2.87Å; E88-L91 WeakPolarHBondContact O-CB 3.39Å; E88-L91 PolarHBondContact O-N 3.4Å; T89-L91 VanDerWaalsContact C-N 3.26Å; T89-L91 PolarHBondContact O-N 2.67Å; L91-L94 WeakPolarHBondContact O-CB 3.22Å; L91-L94 PolarHBondContact O-N 3.1Å; L91-A95 PolarHBondContact O-N 2.73Å; L91-L107 HydrophobicContact CD2-CD1 4.04Å; L91-L107 HydrophobicContact CG-CD1 4.29Å; L91-A116 HydrophobicContact CD2-CB 4.07Å; L91-I119 HydrophobicContact CD1-CB 4.15Å; L91-I119 HydrophobicContact CD1-CD1 3.72Å; L91-I119 HydrophobicContact CD1-CG1 3.76Å; L91-I119 HydrophobicContact CD2-CG1 4.5Å; L91-I119 HydrophobicContact CG-CD1 3.86Å; L91-I119 HydrophobicContact CG-CG1 3.98Å; L91-I119 WeakPolarHBondContact O-CD1 3.39Å
92K98.5Very high98.5Very high89 Ų8960.8 Ų60.839%0.38731%0.311SS..Hα-helixtrans-64.7-40.9178.8-77.8174.8166.2165.60112.6E88 T89 L94 A95 E96E88-K92 HydrophobicContact CG-CD 4.23Å; E88-K92 PolarHBondContact O-N 3.33Å; E88-K92 VanDerWaalsContact OE1-CE 3.25Å; E88-K92 WeakPolarHBondContact OE1-CE 3.15Å; E88-K92 IonicContact OE1-NZ 2.79Å; E88-K92 PolarHBondContact OE1-NZ 2.84Å; T89-K92 PolarHBondContact O-N 3.2Å; T89-K92 VanDerWaalsContact O-N 3.16Å; K92-L94 VanDerWaalsContact C-N 3.25Å; K92-L94 PolarHBondContact O-N 2.97Å; K92-A95 WeakPolarHBondContact O-CB 3.21Å; K92-A95 PolarHBondContact O-N 2.79Å; K92-A95 VanDerWaalsContact O-N 3.07Å; K92-E96 WeakPolarHBondContact O-CG 3.28Å; K92-E96 PolarHBondContact O-N 3.44Å
93E98.6Very high98.5Very high90 Ų9058.9 Ų58.942%0.42130%0.299SS..Hα-helixtrans-58.3-37.6172.5-72.5175.5179.900112.4T89 T97T89-E93 WeakPolarHBondContact O-CG 3.33Å; T89-E93 PolarHBondContact O-N 2.86Å; E93-T97 WeakPolarHBondContact O-CB 3.5Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3Å
94L98.8Very high98.5Very high2 Ų261 Ų611%0.0131%0.31CS..Hα-helixtrans-65.6-46.7173.1176.161.9000111V30 T90 L91 K92 E96 T97 L98 I119 L133 F136V30-L94 HydrophobicContact CB-CD2 3.99Å; V30-L94 HydrophobicContact CG1-CD2 4.15Å; V30-L94 HydrophobicContact CG2-CD2 3.54Å; T90-L94 PolarHBondContact O-N 2.74Å; L91-L94 WeakPolarHBondContact O-CB 3.22Å; L91-L94 PolarHBondContact O-N 3.1Å; K92-L94 VanDerWaalsContact C-N 3.25Å; K92-L94 PolarHBondContact O-N 2.97Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.3Å; L94-T97 WeakPolarHBondContact O-CB 3.44Å; L94-T97 PolarHBondContact O-N 3.45Å; L94-T97 VanDerWaalsContact O-N 3.16Å; L94-L98 HydrophobicContact CD1-CD1 4.02Å; L94-L98 HydrophobicContact CD1-CD2 4.23Å; L94-L98 HydrophobicContact CD1-CG 3.87Å; L94-L98 HydrophobicContact CD2-CD1 4.43Å; L94-L98 HydrophobicContact CG-CD1 3.85Å; L94-L98 HydrophobicContact CG-CG 4.17Å; L94-L98 VanDerWaalsContact O-CG 3.26Å; L94-L98 WeakPolarHBondContact O-CG 3.29Å; L94-L98 PolarHBondContact O-N 3.05Å; L94-I119 HydrophobicContact CB-CD1 4.13Å; L94-I119 HydrophobicContact CD2-CD1 4.08Å; L94-I119 HydrophobicContact CG-CD1 4.06Å; L94-L133 HydrophobicContact CD1-CD2 4.33Å; L94-L133 HydrophobicContact CD2-CD2 4.16Å; L94-F136 HydrophobicContact CB-CE2 4.36Å; L94-F136 HydrophobicContact CB-CZ 3.88Å; L94-F136 HydrophobicContact CD1-CE2 3.95Å; L94-F136 HydrophobicContact CD1-CZ 4.35Å; L94-F136 HydrophobicContact CD2-CD2 4.45Å; L94-F136 HydrophobicContact CD2-CE1 4.47Å; L94-F136 HydrophobicContact CD2-CE2 3.75Å; L94-F136 HydrophobicContact CD2-CZ 3.76Å; L94-F136 HydrophobicContact CG-CE2 4.23Å; L94-F136 HydrophobicContact CG-CZ 4.2Å
95A98.7Very high98.5Very high10 Ų1060.3 Ų60.38%0.08331%0.307CS..Hα-helixtrans-55.9-46.4176.800000111.5L91 K92 T97 L98 Q99 L107 I119L91-A95 PolarHBondContact O-N 2.73Å; K92-A95 WeakPolarHBondContact O-CB 3.21Å; K92-A95 PolarHBondContact O-N 2.79Å; K92-A95 VanDerWaalsContact O-N 3.07Å; A95-T97 PolarHBondContact O-N 3.2Å; A95-L98 PolarHBondContact O-N 3.07Å; A95-Q99 WeakPolarHBondContact O-CB 3.27Å; A95-Q99 PolarHBondContact O-N 3.37Å; A95-L107 HydrophobicContact CB-CD1 4.49Å; A95-L107 HydrophobicContact CB-CD2 4.31Å; A95-I119 HydrophobicContact CB-CD1 3.77Å
96E98.6Very high98.5Very high120 Ų12062.4 Ų62.456%0.56132%0.317SS*.Hα-helixtrans-60-44.4175.9-70.8174.6-169.600111.9K92 L94 Q99 Q100K92-E96 WeakPolarHBondContact O-CG 3.28Å; K92-E96 PolarHBondContact O-N 3.44Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.3Å; E96-Q99 PolarHBondContact O-N 3.42Å; E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.23Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.19Å
97T98.6Very high98.5Very high49 Ų4961.4 Ų61.430%0.30131%0.307SS..Hα-helixtrans-60.8-46.9176.2-600000111.4E93 L94 A95 Q99 Q100 K101 Y132E93-T97 WeakPolarHBondContact O-CB 3.5Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3Å; L94-T97 WeakPolarHBondContact O-CB 3.44Å; L94-T97 PolarHBondContact O-N 3.45Å; L94-T97 VanDerWaalsContact O-N 3.16Å; A95-T97 PolarHBondContact O-N 3.2Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.84Å; T97-Q100 PolarHBondContact O-N 2.95Å; T97-K101 HydrophobicContact CG2-CG 4.49Å; T97-K101 WeakPolarHBondContact O-CB 3.47Å; T97-K101 VanDerWaalsContact O-CG 3.22Å; T97-K101 WeakPolarHBondContact O-CG 3.4Å; T97-K101 PolarHBondContact O-N 2.78Å; T97-Y132 HydrophobicContact CG2-CD1 4.23Å
98L98.7Very high98.5Very high0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-63.2-42.5179.5-66.9172.5000110.9L94 A95 K101 N102 I103 H105 I119 L121 Y132L94-L98 HydrophobicContact CD1-CD1 4.02Å; L94-L98 HydrophobicContact CD1-CD2 4.23Å; L94-L98 HydrophobicContact CD1-CG 3.87Å; L94-L98 HydrophobicContact CD2-CD1 4.43Å; L94-L98 HydrophobicContact CG-CD1 3.85Å; L94-L98 HydrophobicContact CG-CG 4.17Å; L94-L98 VanDerWaalsContact O-CG 3.26Å; L94-L98 WeakPolarHBondContact O-CG 3.29Å; L94-L98 PolarHBondContact O-N 3.05Å; A95-L98 PolarHBondContact O-N 3.07Å; L98-K101 CarbonylContact O-C 3.46Å; L98-K101 PolarHBondContact O-N 3.16Å; L98-N102 PolarHBondContact O-N 3.01Å; L98-N102 VanDerWaalsContact O-N 3.11Å; L98-I103 HydrophobicContact CB-CB 4.18Å; L98-I103 HydrophobicContact CD2-CB 3.84Å; L98-I103 HydrophobicContact CD2-CG1 4.23Å; L98-I103 HydrophobicContact CD2-CG2 3.78Å; L98-I103 PolarHBondContact O-N 3.5Å; L98-H105 HydrophobicContact CD1-CB 4.01Å; L98-I119 HydrophobicContact CD1-CG2 3.98Å; L98-L121 HydrophobicContact CD1-CD1 3.83Å; L98-L121 HydrophobicContact CD2-CD2 4.5Å; L98-Y132 HydrophobicContact CD2-CD2 4.48Å
99Q98.5Very high98.5Very high127 Ų12762.9 Ų62.959%0.59331%0.311SS*.Hα-helixtrans-60.3-48.8175.5-174.46141.200111.7A95 E96 T97 K101 N102A95-Q99 WeakPolarHBondContact O-CB 3.27Å; A95-Q99 PolarHBondContact O-N 3.37Å; E96-Q99 PolarHBondContact O-N 3.42Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.84Å; Q99-K101 PolarHBondContact O-N 3.33Å; Q99-N102 PolarHBondContact O-N 3.32Å; Q99-N102 VanDerWaalsContact O-N 3.11Å
100Q98.4Very high98.5Very high143 Ų14361.1 Ų61.167%0.66830%0.297SS*.Hα-helixtrans-62.3-27.9178.2-72.4171.212.900113E96 T97E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.23Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.19Å; T97-Q100 PolarHBondContact O-N 2.95Å
101K98.2Very high98.4Very high111 Ų11165.2 Ų65.248%0.48331%0.314SS..THydrogen-bonded Turntrans-94.96.9179.1-60.9-61.7178-168.30113.4T97 L98 Q99 I103 Y132T97-K101 HydrophobicContact CG2-CG 4.49Å; T97-K101 WeakPolarHBondContact O-CB 3.47Å; T97-K101 VanDerWaalsContact O-CG 3.22Å; T97-K101 WeakPolarHBondContact O-CG 3.4Å; T97-K101 PolarHBondContact O-N 2.78Å; L98-K101 CarbonylContact O-C 3.46Å; L98-K101 PolarHBondContact O-N 3.16Å; Q99-K101 PolarHBondContact O-N 3.33Å; K101-I103 HydrophobicContact CB-CG1 3.99Å; K101-I103 PolarHBondContact O-N 2.89Å; K101-Y132 HydrophobicContact CB-CE1 4.27Å; K101-Y132 HydrophobicContact CD-CE1 4.27Å; K101-Y132 HydrophobicContact CG-CE1 3.72Å
102N97.9Very high98.2Very high136 Ų13670.4 Ų70.473%0.72735%0.348SS*.THydrogen-bonded Turntrans53.839.6-177.6-55.2-62.2000112.7L98 Q99L98-N102 PolarHBondContact O-N 3.01Å; L98-N102 VanDerWaalsContact O-N 3.11Å; Q99-N102 PolarHBondContact O-N 3.32Å; Q99-N102 VanDerWaalsContact O-N 3.11Å
103I98.6Very high97.9Very high12 Ų1272 Ų726%0.06236%0.357CS..  trans-93.8109.7173.6-54.9-58.7000108L98 K101 H105 L121 Y124 V129 Y132L98-I103 HydrophobicContact CB-CB 4.18Å; L98-I103 HydrophobicContact CD2-CB 3.84Å; L98-I103 HydrophobicContact CD2-CG1 4.23Å; L98-I103 HydrophobicContact CD2-CG2 3.78Å; L98-I103 PolarHBondContact O-N 3.5Å; K101-I103 HydrophobicContact CB-CG1 3.99Å; K101-I103 PolarHBondContact O-N 2.89Å; I103-H105 PolarHBondContact O-N 2.76Å; I103-H105 PolarHBondContact O-ND1 3.27Å; I103-L121 HydrophobicContact CG2-CD2 3.84Å; I103-L121 HydrophobicContact CG2-CG 4.28Å; I103-Y124 HydrophobicContact CG2-CE1 4.28Å; I103-Y124 HydrophobicContact CG2-CE2 3.88Å; I103-Y124 WeakPolarHBondContact CG2-OH 3.4Å; I103-V129 HydrophobicContact CD1-CG1 4.46Å; I103-V129 HydrophobicContact CG2-CG1 3.95Å; I103-Y132 HydrophobicContact CD1-CE2 4.01Å; I103-Y132 HydrophobicContact CG1-CD2 4.25Å; I103-Y132 HydrophobicContact CG1-CE2 3.86Å
104D98.7Very high97.8Very high56 Ų5672 Ų7230%0.29936%0.36SS..  trans-52.2119.6173.4-67.2-37.7000111.7H62 R122 Y124H62-D104 WeakPolarHBondContact CE1-CB 3.49Å; H62-D104 VanDerWaalsContact CE1-CG 3.44Å; H62-D104 IonicContact CE1-OD1 3.4Å; H62-D104 PolarHBondContact CE1-OD1 3.32Å; H62-D104 IonicContact ND1-OD1 3.77Å; H62-D104 IonicContact ND1-OD2 3.59Å; D104-R122 HydrophobicContact CB-CG 3.89Å; D104-R122 PolarHBondContact O-N 3.22Å; D104-R122 IonicContact OD2-CZ 2.76Å; D104-R122 IonicContact OD2-NE 2.67Å; D104-R122 PolarHBondContact OD2-NE 2.99Å; D104-R122 IonicContact OD2-NH2 3.84Å; D104-Y124 WeakPolarHBondContact CA-OH 3.27Å; D104-Y124 VanDerWaalsContact CB-OH 3.27Å; D104-Y124 WeakPolarHBondContact CB-OH 3.25Å; D104-Y124 PolarHBondContact N-OH 2.75Å; D104-Y124 WeakPolarHBondContact O-CE2 3.33Å; D104-Y124 PolarHBondContact O-OH 3.23Å
105H98.8Very high97.7Very high31 Ų3173.4 Ų73.414%0.14437%0.367CS..EExtended strand (participates in β ladder)trans-152162.8-178.968.3-75.3000111.2L98 I103 I119 A120 L121L98-H105 HydrophobicContact CD1-CB 4.01Å; I103-H105 PolarHBondContact O-N 2.76Å; I103-H105 PolarHBondContact O-ND1 3.27Å; H105-I119 HydrophobicContact CB-CG2 4.2Å; H105-A120 CarbonylContact C-O 3.54Å; H105-A120 WeakPolarHBondContact CA-O 3.38Å; H105-L121 HydrophobicContact CB-CD1 4.29Å; H105-L121 HydrophobicContact CB-CG 4.26Å
106M98.6Very high97.7Very high45 Ų4572.9 Ų72.922%0.22236%0.363CS..EExtended strand (participates in β ladder)trans-116.3124.2171.7176.356.76000108.8A57 A58 I119 A120A57-M106 HydrophobicContact CB-CE 4.09Å; A57-M106 HydrophobicContact CB-CG 3.83Å; A57-M106 HydrophobicContact CB-SD 4.32Å; A58-M106 HydrophobicContact CB-CB 3.88Å; M106-I119 CarbonylContact O-C 3.5Å; M106-I119 VanDerWaalsContact O-CA 3.22Å; M106-I119 WeakPolarHBondContact O-CA 3.36Å; M106-A120 PolarHBondContact N-O 3Å; M106-A120 PolarHBondContact O-N 2.8Å
107L98.7Very high97.7Very high53 Ų5367.2 Ų67.228%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-94.1109.3164.8179.865.9000108.2L91 A95 L109 A116 I119L91-L107 HydrophobicContact CD2-CD1 4.04Å; L91-L107 HydrophobicContact CG-CD1 4.29Å; A95-L107 HydrophobicContact CB-CD1 4.49Å; A95-L107 HydrophobicContact CB-CD2 4.31Å; L107-L109 HydrophobicContact CD2-CD2 4.11Å; L107-L109 HydrophobicContact CG-CD2 4.01Å; L107-A116 HydrophobicContact CD1-CB 3.87Å; L107-A116 HydrophobicContact CD2-CB 4.4Å; L107-A116 HydrophobicContact CG-CB 4.29Å; L107-I119 HydrophobicContact CB-CG1 4.49Å; L107-I119 HydrophobicContact CD1-CD1 4.08Å; L107-I119 HydrophobicContact CD1-CG1 3.5Å; L107-I119 VanDerWaalsContact CD1-CG1 3.5Å
108W98.6Very high97.7Very high67 Ų6764.9 Ų64.925%0.25432%0.322SS..EExtended strand (participates in β ladder)trans-83.5126.1179.1-171.6-97.7000110.9Q50 H53 A54 A57 T117 C118Q50-W108 VanDerWaalsContact OE1-NE1 3.09Å; H53-W108 HydrophobicContact CB-CD2 3.67Å; H53-W108 HydrophobicContact CB-CE3 4.07Å; H53-W108 HydrophobicContact CB-CG 4.27Å; H53-W108 HydrophobicContact CB-CH2 3.89Å; H53-W108 HydrophobicContact CB-CZ2 3.47Å; H53-W108 VanDerWaalsContact CB-CZ2 3.47Å; H53-W108 HydrophobicContact CB-CZ3 4.17Å; H53-W108 AromaticContact CG-CE2 3.92Å; H53-W108 AromaticContact CG-CZ2 3.66Å; A54-W108 HydrophobicContact CB-CB 3.7Å; A54-W108 HydrophobicContact CB-CG 4.34Å; A57-W108 HydrophobicContact CB-CE3 4.15Å; A57-W108 HydrophobicContact CB-CZ3 4.05Å; W108-T117 PolarHBondContact O-N 3.29Å; W108-C118 PolarHBondContact N-O 3Å
109L98.3Very high97.7Very high64 Ų6464.9 Ų64.934%0.33532%0.322SS..EExtended strand (participates in β ladder)trans-109.7120.3177.4-53.1-176.5000108.8L107 N114 I115 A116L107-L109 HydrophobicContact CD2-CD2 4.11Å; L107-L109 HydrophobicContact CG-CD2 4.01Å; L109-N114 WeakPolarHBondContact CD1-OD1 2.88Å; L109-I115 CarbonylContact C-O 3.54Å; L109-I115 WeakPolarHBondContact CA-O 3.29Å; L109-A116 HydrophobicContact CD2-CB 3.66Å
110E97Very high97.7Very high52 Ų5258.8 Ų58.824%0.24329%0.293CS..EExtended strand (participates in β ladder)trans-74.1136174.1-175.864.5178.400110.3W42 Q50 N114 I115 T117W42-E110 HydrophobicContact CH2-CB 4.13Å; W42-E110 HydrophobicContact CH2-CG 3.93Å; Q50-E110 PolarHBondContact NE2-OE2 3.4Å; Q50-E110 PolarHBondContact OE1-OE2 2.94Å; Q50-E110 VanDerWaalsContact OE1-OE2 3.1Å; E110-N114 WeakPolarHBondContact O-CA 3.47Å; E110-N114 PolarHBondContact O-N 3.37Å; E110-I115 HydrophobicContact CB-CG1 4.14Å; E110-I115 PolarHBondContact N-O 2.97Å; E110-I115 PolarHBondContact O-N 2.77Å; E110-T117 HydrophobicContact CB-CG2 3.7Å
111Q96.3Very high97.7Very high112 Ų11252 Ų5252%0.52326%0.262SS..THydrogen-bonded Turntrans-108.9147177.3-61.9-61.3-40.600109.8N114Q111-N114 PolarHBondContact NE2-OD1 3.31Å
112P94.6Very high97.7Very high109 Ų10947.2 Ų47.271%0.70824%0.241SC*.THydrogen-bonded Turncis-87.3-6.98.534.8-37.9000115.7N114P112-N114 PolarHBondContact O-N 2.83Å
113E93.4Very high97.8Very high123 Ų12340.8 Ų40.858%0.57521%0.206SC*.THydrogen-bonded Turntrans-69-17.1-172.9-64.874.3-163.500113.4I115E113-I115 VanDerWaalsContact C-N 3.29Å; E113-I115 HydrophobicContact CB-CG1 4.33Å; E113-I115 HydrophobicContact CB-CG2 4.05Å; E113-I115 PolarHBondContact O-N 2.95Å
114N95.4Very high97.7Very high91 Ų9140.2 Ų40.249%0.48720%0.203SC..THydrogen-bonded Turntrans57.439.6-178.9-164.246.4000113.2L109 E110 Q111 P112L109-N114 WeakPolarHBondContact CD1-OD1 2.88Å; E110-N114 WeakPolarHBondContact O-CA 3.47Å; E110-N114 PolarHBondContact O-N 3.37Å; Q111-N114 PolarHBondContact NE2-OD1 3.31Å; P112-N114 PolarHBondContact O-N 2.83Å
115I96.6Very high97.6Very high30 Ų3037.7 Ų37.715%0.15419%0.19CC..EExtended strand (participates in β ladder)trans-96136.617961.3171.5000110.5L35 W42 L109 E110 E113 T117L35-I115 HydrophobicContact CD2-CD1 4.12Å; W42-I115 HydrophobicContact CH2-CD1 4.05Å; W42-I115 HydrophobicContact CZ2-CD1 3.76Å; L109-I115 CarbonylContact C-O 3.54Å; L109-I115 WeakPolarHBondContact CA-O 3.29Å; E110-I115 HydrophobicContact CB-CG1 4.14Å; E110-I115 PolarHBondContact N-O 2.97Å; E110-I115 PolarHBondContact O-N 2.77Å; E113-I115 VanDerWaalsContact C-N 3.29Å; E113-I115 HydrophobicContact CB-CG1 4.33Å; E113-I115 HydrophobicContact CB-CG2 4.05Å; E113-I115 PolarHBondContact O-N 2.95Å; I115-T117 HydrophobicContact CD1-CG2 4.37Å; I115-T117 HydrophobicContact CG1-CG2 4.1Å; I115-T117 PolarHBondContact O-N 3.35Å
116A98.5Very high97.5Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-72.7124.5174.600000109.9R32 E88 L91 L107 L109R32-A116 WeakPolarHBondContact CD-O 3.38Å; R32-A116 PolarHBondContact NH1-O 3.46Å; E88-A116 HydrophobicContact CG-CB 4Å; E88-A116 PolarHBondContact OE1-N 3.11Å; L91-A116 HydrophobicContact CD2-CB 4.07Å; L107-A116 HydrophobicContact CD1-CB 3.87Å; L107-A116 HydrophobicContact CD2-CB 4.4Å; L107-A116 HydrophobicContact CG-CB 4.29Å; L109-A116 HydrophobicContact CD2-CB 3.66Å
117T98.6Very high97.3Very high0 Ų046.4 Ų46.40%023%0.228CC..EExtended strand (participates in β ladder)trans-112.6-38.8-175.460.20000112.8R32 L35 W42 Q50 W108 E110 I115R32-T117 WeakPolarHBondContact CB-O 3.4Å; R32-T117 PolarHBondContact N-O 3.16Å; L35-T117 HydrophobicContact CD1-CG2 3.86Å; W42-T117 HydrophobicContact CH2-CG2 3.78Å; W42-T117 HydrophobicContact CZ3-CG2 3.98Å; Q50-T117 HydrophobicContact CG-CG2 4.17Å; Q50-T117 PolarHBondContact OE1-OG1 3.43Å; W108-T117 PolarHBondContact O-N 3.29Å; E110-T117 HydrophobicContact CB-CG2 3.7Å; I115-T117 HydrophobicContact CD1-CG2 4.37Å; I115-T117 HydrophobicContact CG1-CG2 4.1Å; I115-T117 PolarHBondContact O-N 3.35Å
118C98.9Very high97.2Very high0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-148.8145.5-175.5-1710000111.8V30 L31 A54 W108V30-C118 CarbonylContact O-C 3.53Å; V30-C118 VanDerWaalsContact O-CA 3.28Å; V30-C118 WeakPolarHBondContact O-CA 3.39Å; V30-C118 PolarHBondContact O-SG 3.17Å; L31-C118 HydrophobicContact CD1-CB 3.84Å; A54-C118 HydrophobicContact CB-CB 3.93Å; W108-C118 PolarHBondContact N-O 3Å
119I98.9Very high97.2Very high0 Ų044.2 Ų44.20%022%0.219CC..EExtended strand (participates in β ladder)trans-104.1137.1162-70.8169.1000108.5L29 V30 L91 L94 A95 L98 H105 M106 L107 L121L29-I119 CarbonylContact C-O 3.53Å; L29-I119 VanDerWaalsContact CA-O 3.22Å; L29-I119 WeakPolarHBondContact CA-O 3.09Å; V30-I119 HydrophobicContact CB-CB 4.48Å; V30-I119 PolarHBondContact N-O 3.41Å; V30-I119 PolarHBondContact O-N 2.94Å; L91-I119 HydrophobicContact CD1-CB 4.15Å; L91-I119 HydrophobicContact CD1-CD1 3.72Å; L91-I119 HydrophobicContact CD1-CG1 3.76Å; L91-I119 HydrophobicContact CD2-CG1 4.5Å; L91-I119 HydrophobicContact CG-CD1 3.86Å; L91-I119 HydrophobicContact CG-CG1 3.98Å; L91-I119 WeakPolarHBondContact O-CD1 3.39Å; L94-I119 HydrophobicContact CB-CD1 4.13Å; L94-I119 HydrophobicContact CD2-CD1 4.08Å; L94-I119 HydrophobicContact CG-CD1 4.06Å; A95-I119 HydrophobicContact CB-CD1 3.77Å; L98-I119 HydrophobicContact CD1-CG2 3.98Å; H105-I119 HydrophobicContact CB-CG2 4.2Å; M106-I119 CarbonylContact O-C 3.5Å; M106-I119 VanDerWaalsContact O-CA 3.22Å; M106-I119 WeakPolarHBondContact O-CA 3.36Å; L107-I119 HydrophobicContact CB-CG1 4.49Å; L107-I119 HydrophobicContact CD1-CD1 4.08Å; L107-I119 HydrophobicContact CD1-CG1 3.5Å; L107-I119 VanDerWaalsContact CD1-CG1 3.5Å; I119-L121 HydrophobicContact CG2-CD1 3.88Å
120A98.9Very high97.1Very high0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-125.3130.7164.800000110L29 A54 A58 H105 M106L29-A120 HydrophobicContact CG-CB 4.19Å; A54-A120 VanDerWaalsContact C-CB 3.41Å; A54-A120 HydrophobicContact CB-CB 3.76Å; A54-A120 WeakPolarHBondContact O-CB 3.47Å; A58-A120 HydrophobicContact CB-CB 3.98Å; H105-A120 CarbonylContact C-O 3.54Å; H105-A120 WeakPolarHBondContact CA-O 3.38Å; M106-A120 PolarHBondContact N-O 3Å; M106-A120 PolarHBondContact O-N 2.8Å
121L98.8Very high97.2Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-79.5161.7170-80.366.7000109.2Q27 Y28 L98 I103 H105 I119 Y124 V129 L133Q27-L121 VanDerWaalsContact CG-O 3.27Å; Q27-L121 WeakPolarHBondContact CG-O 3.39Å; Q27-L121 PolarHBondContact NE2-O 2.98Å; Y28-L121 PolarHBondContact O-N 3.46Å; L98-L121 HydrophobicContact CD1-CD1 3.83Å; L98-L121 HydrophobicContact CD2-CD2 4.5Å; I103-L121 HydrophobicContact CG2-CD2 3.84Å; I103-L121 HydrophobicContact CG2-CG 4.28Å; H105-L121 HydrophobicContact CB-CD1 4.29Å; H105-L121 HydrophobicContact CB-CG 4.26Å; I119-L121 HydrophobicContact CG2-CD1 3.88Å; L121-Y124 HydrophobicContact CB-CD2 3.93Å; L121-Y124 HydrophobicContact CB-CE2 3.92Å; L121-Y124 HydrophobicContact CD2-CD2 3.95Å; L121-Y124 HydrophobicContact CD2-CE2 4.04Å; L121-Y124 HydrophobicContact CG-CD2 4.42Å; L121-Y124 HydrophobicContact CG-CE2 4.23Å; L121-V129 HydrophobicContact CD2-CB 3.96Å; L121-V129 HydrophobicContact CD2-CG1 3.84Å; L121-V129 HydrophobicContact CD2-CG2 4.24Å; L121-L133 HydrophobicContact CD2-CD1 4.44Å
122R98.5Very high97.2Very high11 Ų1142.6 Ų42.64%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-64.5172.4157.169.4166.5169.369.1-0.4110.1H62 H65 D104 Y124 E128H62-R122 HydrophobicContact CB-CB 3.91Å; H65-R122 PolarHBondContact CE1-NH1 3.01Å; H65-R122 VanDerWaalsContact CE1-NH1 3.35Å; H65-R122 PolarHBondContact NE2-NH2 2.98Å; D104-R122 HydrophobicContact CB-CG 3.89Å; D104-R122 PolarHBondContact O-N 3.22Å; D104-R122 IonicContact OD2-CZ 2.76Å; D104-R122 IonicContact OD2-NE 2.67Å; D104-R122 PolarHBondContact OD2-NE 2.99Å; D104-R122 IonicContact OD2-NH2 3.84Å; R122-Y124 HydrophobicContact CB-CE2 4.38Å; R122-Y124 HydrophobicContact CG-CD2 3.92Å; R122-Y124 HydrophobicContact CG-CE2 3.29Å; R122-Y124 VanDerWaalsContact CZ-OH 3.28Å; R122-Y124 PolarHBondContact NE-OH 3.05Å; R122-Y124 VanDerWaalsContact NH1-CZ 3.32Å; R122-Y124 PolarHBondContact NH2-OH 2.68Å; R122-Y124 WeakPolarHBondContact O-CD2 3.44Å; R122-Y124 PolarHBondContact O-N 3.43Å; R122-E128 IonicContact NH2-OE1 3.5Å
123P98.4Very high97.4Very high0 Ų037.7 Ų37.70%018%0.183CC..EExtended strand (participates in β ladder)trans-61.6132.7170.5-26.638.3000111.7L25 L59 Y71L25-P123 HydrophobicContact CB-CB 4.26Å; L59-P123 HydrophobicContact CD2-CG 3.71Å; Y71-P123 HydrophobicContact CD1-CB 4.2Å; Y71-P123 HydrophobicContact CD1-CG 3.48Å; Y71-P123 VanDerWaalsContact CD1-CG 3.48Å; Y71-P123 HydrophobicContact CD2-CB 3.72Å; Y71-P123 HydrophobicContact CD2-CG 3.92Å; Y71-P123 HydrophobicContact CE1-CG 4.06Å; Y71-P123 HydrophobicContact CE2-CB 4.4Å; Y71-P123 HydrophobicContact CE2-CG 4.43Å; Y71-P123 HydrophobicContact CG-CB 3.59Å; Y71-P123 HydrophobicContact CG-CG 3.39Å
124Y98.2Very high97.6Very high0 Ų040.3 Ų40.30%019%0.192CC..EExtended strand (participates in β ladder)trans-134.6152178.4-79.1-86.8000111.4V26 I103 D104 L121 R122 E128 V129V26-Y124 PolarHBondContact N-O 3.47Å; V26-Y124 PolarHBondContact O-N 2.71Å; I103-Y124 HydrophobicContact CG2-CE1 4.28Å; I103-Y124 HydrophobicContact CG2-CE2 3.88Å; I103-Y124 WeakPolarHBondContact CG2-OH 3.4Å; D104-Y124 WeakPolarHBondContact CA-OH 3.27Å; D104-Y124 VanDerWaalsContact CB-OH 3.27Å; D104-Y124 WeakPolarHBondContact CB-OH 3.25Å; D104-Y124 PolarHBondContact N-OH 2.75Å; D104-Y124 WeakPolarHBondContact O-CE2 3.33Å; D104-Y124 PolarHBondContact O-OH 3.23Å; L121-Y124 HydrophobicContact CB-CD2 3.93Å; L121-Y124 HydrophobicContact CB-CE2 3.92Å; L121-Y124 HydrophobicContact CD2-CD2 3.95Å; L121-Y124 HydrophobicContact CD2-CE2 4.04Å; L121-Y124 HydrophobicContact CG-CD2 4.42Å; L121-Y124 HydrophobicContact CG-CE2 4.23Å; R122-Y124 HydrophobicContact CB-CE2 4.38Å; R122-Y124 HydrophobicContact CG-CD2 3.92Å; R122-Y124 HydrophobicContact CG-CE2 3.29Å; R122-Y124 VanDerWaalsContact CZ-OH 3.28Å; R122-Y124 PolarHBondContact NE-OH 3.05Å; R122-Y124 VanDerWaalsContact NH1-CZ 3.32Å; R122-Y124 PolarHBondContact NH2-OH 2.68Å; R122-Y124 WeakPolarHBondContact O-CD2 3.44Å; R122-Y124 PolarHBondContact O-N 3.43Å; Y124-E128 HydrophobicContact CD1-CB 4.26Å; Y124-E128 HydrophobicContact CD1-CG 4.01Å; Y124-E128 WeakPolarHBondContact CD1-OE1 3.49Å; Y124-E128 WeakPolarHBondContact CD1-OE2 3.28Å; Y124-E128 HydrophobicContact CE1-CG 4.35Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.34Å; Y124-V129 HydrophobicContact CD1-CG1 3.56Å; Y124-V129 HydrophobicContact CD2-CG1 3.79Å; Y124-V129 HydrophobicContact CE1-CG1 3.95Å; Y124-V129 HydrophobicContact CE2-CG1 4.22Å; Y124-V129 HydrophobicContact CG-CG1 3.47Å; Y124-V129 VanDerWaalsContact CG-CG1 3.47Å; Y124-V129 HydrophobicContact CG-CG2 4.37Å
125P96.7Very high97.7Very high4 Ų441.8 Ų41.83%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-55.8138.6152.7-24.136.5000111.2Q23 L25 E127 E128Q23-P125 VanDerWaalsContact CD-CB 3.46Å; Q23-P125 VanDerWaalsContact CD-CG 3.42Å; Q23-P125 HydrophobicContact CG-CB 4.05Å; Q23-P125 HydrophobicContact CG-CG 4.17Å; Q23-P125 VanDerWaalsContact NE2-CB 3.27Å; Q23-P125 VanDerWaalsContact OE1-CG 3.26Å; L25-P125 HydrophobicContact CD2-CG 3.96Å; P125-E127 PolarHBondContact O-N 2.86Å; P125-E128 HydrophobicContact CB-CB 4.46Å; P125-E128 WeakPolarHBondContact CD-OE2 3.48Å; P125-E128 PolarHBondContact O-N 3.46Å
126K95.5Very high97.8Very high122 Ų12241.2 Ų41.253%0.5319%0.19SC..Hα-helixtrans-57.4-36.7-179.1175.1176.9177.2-173.10112.1E128 V129 G130K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 PolarHBondContact O-N 3.46Å; K126-V129 PolarHBondContact O-N 2.86Å; K126-G130 WeakPolarHBondContact O-CA 3.48Å; K126-G130 PolarHBondContact O-N 3.46Å
127E95.1Very high97.7Very high137 Ų13750.3 Ų50.364%0.6423%0.225SC*.Hα-helixtrans-68.6-26.3-174.6-59.467.6-140.700112.1P125P125-E127 PolarHBondContact O-N 2.86Å
128E96.7Very high97.7Very high74 Ų7455.8 Ų55.835%0.34625%0.253SS..Hα-helixtrans-75-34.8-178.4-167.6175.8157.500111.9R122 Y124 P125 K126R122-E128 IonicContact NH2-OE1 3.5Å; Y124-E128 HydrophobicContact CD1-CB 4.26Å; Y124-E128 HydrophobicContact CD1-CG 4.01Å; Y124-E128 WeakPolarHBondContact CD1-OE1 3.49Å; Y124-E128 WeakPolarHBondContact CD1-OE2 3.28Å; Y124-E128 HydrophobicContact CE1-CG 4.35Å; Y124-E128 WeakPolarHBondContact CE1-OE1 3.34Å; P125-E128 HydrophobicContact CB-CB 4.46Å; P125-E128 WeakPolarHBondContact CD-OE2 3.48Å; P125-E128 PolarHBondContact O-N 3.46Å; K126-E128 VanDerWaalsContact C-N 3.26Å; K126-E128 PolarHBondContact O-N 3.46Å
129V97.9Very high97.7Very high0 Ų058.4 Ų58.40%027%0.265CS..Hα-helixtrans-119-17-169.7-60.60000114.5Y28 I103 L121 Y124 K126 Q131 Y132 L133Y28-V129 HydrophobicContact CD2-CG2 3.86Å; Y28-V129 HydrophobicContact CE2-CG2 3.92Å; I103-V129 HydrophobicContact CD1-CG1 4.46Å; I103-V129 HydrophobicContact CG2-CG1 3.95Å; L121-V129 HydrophobicContact CD2-CB 3.96Å; L121-V129 HydrophobicContact CD2-CG1 3.84Å; L121-V129 HydrophobicContact CD2-CG2 4.24Å; Y124-V129 HydrophobicContact CD1-CG1 3.56Å; Y124-V129 HydrophobicContact CD2-CG1 3.79Å; Y124-V129 HydrophobicContact CE1-CG1 3.95Å; Y124-V129 HydrophobicContact CE2-CG1 4.22Å; Y124-V129 HydrophobicContact CG-CG1 3.47Å; Y124-V129 VanDerWaalsContact CG-CG1 3.47Å; Y124-V129 HydrophobicContact CG-CG2 4.37Å; K126-V129 PolarHBondContact O-N 2.86Å; V129-Q131 PolarHBondContact O-N 2.79Å; V129-Q131 VanDerWaalsContact O-N 3.11Å; V129-Y132 PolarHBondContact O-N 3.08Å; V129-L133 HydrophobicContact CB-CD1 4.48Å; V129-L133 HydrophobicContact CG2-CD1 4.18Å
130G96.9Very high97.3Very high24 Ų2468.5 Ų68.525%0.24731%0.309CS..Hα-helixtrans-57.4-32.5-172.700000114.1K126 Y132 L133 K134K126-G130 WeakPolarHBondContact O-CA 3.48Å; K126-G130 PolarHBondContact O-N 3.46Å; G130-Y132 VanDerWaalsContact C-N 3.27Å; G130-Y132 PolarHBondContact O-N 2.87Å; G130-L133 PolarHBondContact O-N 3.11Å; G130-K134 PolarHBondContact O-N 3.33Å
131Q97.7Very high97.2Very high118 Ų11872 Ų7255%0.55132%0.324SS*.Hα-helixtrans-63-29.817863.2178.8-26.200113.9V129V129-Q131 PolarHBondContact O-N 2.79Å; V129-Q131 VanDerWaalsContact O-N 3.11Å
132Y98.2Very high97.1Very high51 Ų5175.7 Ų75.720%0.234%0.341CS..Hα-helixtrans-83.6-24.7179.3-50.6-59.7000112T97 L98 K101 I103 V129 G130T97-Y132 HydrophobicContact CG2-CD1 4.23Å; L98-Y132 HydrophobicContact CD2-CD2 4.48Å; K101-Y132 HydrophobicContact CB-CE1 4.27Å; K101-Y132 HydrophobicContact CD-CE1 4.27Å; K101-Y132 HydrophobicContact CG-CE1 3.72Å; I103-Y132 HydrophobicContact CD1-CE2 4.01Å; I103-Y132 HydrophobicContact CG1-CD2 4.25Å; I103-Y132 HydrophobicContact CG1-CE2 3.86Å; V129-Y132 PolarHBondContact O-N 3.08Å; G130-Y132 VanDerWaalsContact C-N 3.27Å; G130-Y132 PolarHBondContact O-N 2.87Å
133L98.3Very high97.1Very high7 Ų779.3 Ų79.34%0.03736%0.358CS..Hα-helixtrans-99.5-13.8-172.7-59.5177.8000113.7Y28 V30 L83 L94 L121 V129 G130 K135 F136Y28-L133 HydrophobicContact CD1-CD1 3.53Å; Y28-L133 HydrophobicContact CD2-CD1 3.87Å; Y28-L133 HydrophobicContact CE1-CD1 4.19Å; Y28-L133 HydrophobicContact CE2-CD1 4.47Å; Y28-L133 HydrophobicContact CG-CD1 3.35Å; V30-L133 HydrophobicContact CG2-CD2 4.05Å; L83-L133 HydrophobicContact CD1-CB 3.9Å; L83-L133 HydrophobicContact CD1-CD1 4.37Å; L83-L133 HydrophobicContact CD1-CD2 4.39Å; L83-L133 HydrophobicContact CD1-CG 4.45Å; L94-L133 HydrophobicContact CD1-CD2 4.33Å; L94-L133 HydrophobicContact CD2-CD2 4.16Å; L121-L133 HydrophobicContact CD2-CD1 4.44Å; V129-L133 HydrophobicContact CB-CD1 4.48Å; V129-L133 HydrophobicContact CG2-CD1 4.18Å; G130-L133 PolarHBondContact O-N 3.11Å; L133-K135 PolarHBondContact O-N 3.21Å; L133-F136 PolarHBondContact O-N 2.85Å
134K96.9Very high97Very high177 Ų17784 Ų8477%0.7738%0.379SS*.THydrogen-bonded Turntrans-54.8-25.6-174.870.2-176.3179179.20115.6G130 F136G130-K134 PolarHBondContact O-N 3.33Å; K134-F136 VanDerWaalsContact C-N 3.34Å
135K96.9Very high96.9Very high123 Ų12389.3 Ų89.354%0.53540%0.403SS..THydrogen-bonded Turntrans-78-20.5-179.771.6175-174.81740113L133L133-K135 PolarHBondContact O-N 3.21Å
136F98.5Very high96.9Very high17 Ų1794.9 Ų94.98%0.07543%0.428CS..SBendtrans-90.7139.8-178.5-57-87.5000110.3V30 L83 E84 A85 T90 L94 L133 K134V30-F136 HydrophobicContact CG1-CD1 3.8Å; V30-F136 HydrophobicContact CG1-CE1 4.01Å; V30-F136 HydrophobicContact CG1-CG 4.26Å; L83-F136 HydrophobicContact CB-CB 3.88Å; L83-F136 HydrophobicContact CD1-CB 4.12Å; L83-F136 HydrophobicContact CG-CB 4.49Å; E84-F136 WeakPolarHBondContact O-CD1 3.33Å; A85-F136 HydrophobicContact CB-CD1 4.25Å; A85-F136 HydrophobicContact CB-CE1 3.99Å; T90-F136 HydrophobicContact CG2-CE1 3.77Å; T90-F136 HydrophobicContact CG2-CZ 4.18Å; L94-F136 HydrophobicContact CB-CE2 4.36Å; L94-F136 HydrophobicContact CB-CZ 3.88Å; L94-F136 HydrophobicContact CD1-CE2 3.95Å; L94-F136 HydrophobicContact CD1-CZ 4.35Å; L94-F136 HydrophobicContact CD2-CD2 4.45Å; L94-F136 HydrophobicContact CD2-CE1 4.47Å; L94-F136 HydrophobicContact CD2-CE2 3.75Å; L94-F136 HydrophobicContact CD2-CZ 3.76Å; L94-F136 HydrophobicContact CG-CE2 4.23Å; L94-F136 HydrophobicContact CG-CZ 4.2Å; L133-F136 PolarHBondContact O-N 2.85Å; K134-F136 VanDerWaalsContact C-N 3.34Å
137R98Very high97Very high192 Ų19293 Ų9373%0.72542%0.421SS*.EExtended strand (participates in β ladder)trans-92164.2179.7-62-178-177.3-158.40.3110.1L83 E84 F139L83-R137 CarbonylContact C-O 3.44Å; L83-R137 WeakPolarHBondContact CA-O 3.31Å; L83-R137 WeakPolarHBondContact CB-O 3.45Å; L83-R137 WeakPolarHBondContact CD2-O 3.46Å; E84-R137 HydrophobicContact CG-CB 4.05Å; E84-R137 PolarHBondContact N-O 2.97Å; R137-F139 PolarHBondContact O-N 2.59Å
138L98.3Very high97.2Very high114 Ų11489.6 Ų89.660%0.59740%0.404SS*.EExtended strand (participates in β ladder)trans-59.5135.6169-69.1174.1000109.6V81 L83 K140V81-L138 HydrophobicContact CG1-CD2 3.79Å; L83-L138 HydrophobicContact CD2-CD2 4.12Å; L138-K140 PolarHBondContact O-N 3.4Å
139F97.8Very high97.2Very high55 Ų5590.9 Ų90.924%0.24141%0.409CS..PPolyproline II helixtrans-62.8131.7176.9-167.2-85.1000110.1L31 K33 L47 V82 E84 R137L31-F139 HydrophobicContact CB-CD2 3.94Å; L31-F139 HydrophobicContact CB-CE2 3.96Å; L31-F139 HydrophobicContact CD2-CD2 4.03Å; L31-F139 HydrophobicContact CD2-CE1 4.33Å; L31-F139 HydrophobicContact CD2-CE2 3.59Å; L31-F139 HydrophobicContact CD2-CZ 3.75Å; L31-F139 HydrophobicContact CG-CD2 4.2Å; L31-F139 HydrophobicContact CG-CE2 3.72Å; L31-F139 HydrophobicContact CG-CZ 4.31Å; K33-F139 HydrophobicContact CB-CE2 4.37Å; K33-F139 HydrophobicContact CD-CE2 3.93Å; K33-F139 HydrophobicContact CD-CZ 3.96Å; L47-F139 HydrophobicContact CD1-CZ 4.32Å; V82-F139 HydrophobicContact CB-CB 4.25Å; V82-F139 HydrophobicContact CG1-CB 3.81Å; V82-F139 HydrophobicContact CG1-CG 4.24Å; V82-F139 PolarHBondContact O-N 3.19Å; E84-F139 HydrophobicContact CB-CB 4.5Å; E84-F139 HydrophobicContact CB-CD2 3.85Å; R137-F139 PolarHBondContact O-N 2.59Å
140K91.1Very high97.1Very high213 Ų21399.2 Ų99.293%0.92645%0.446SS*.  trans-120.50179.2-68.3-175-179.6-177.10112.1K33 L138K33-K140 WeakPolarHBondContact CE-O 3.48Å; K33-K140 PolarHBondContact NZ-O 2.98Å; L138-K140 PolarHBondContact O-N 3.4Å

Retrieved 140 of 140 residues in 57.6 ms (Link to these results)

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