A0A087XQP6_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A3P9NQ13), UniProt , Accession A0A087XQP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.8Confident95.5Very high200 Ų20080.2 Ų80.299%0.98538%0.381SS*.  0-47.70-65.4-177.3-152.900111.6L3 K4 R5M1-L3 PolarHBondContact O-N 3.22Å; M1-K4 PolarHBondContact O-N 3.2Å; M1-R5 PolarHBondContact O-N 2.94Å; M1-R5 VanDerWaalsContact O-N 3.1Å
2A94.4Very high95.4Very high9 Ų977.9 Ų77.97%0.07437%0.373CS..Hα-helixtrans-50.8-54.8175.400000113.9K4 R5 I6 F31 T58 Y60A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.73Å; A2-R5 WeakPolarHBondContact O-CA 3.4Å; A2-R5 WeakPolarHBondContact O-CB 3.03Å; A2-R5 PolarHBondContact O-N 3.34Å; A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 2.94Å; A2-F31 HydrophobicContact CB-CE1 3.98Å; A2-F31 HydrophobicContact CB-CZ 4.15Å; A2-T58 WeakPolarHBondContact CB-O 3.31Å; A2-Y60 WeakPolarHBondContact CA-O 3.19Å; A2-Y60 WeakPolarHBondContact CB-O 3.37Å
3L96.3Very high95.2Very high76 Ų7672.9 Ų72.940%0.39835%0.349SS..Hα-helixtrans-57.5-40.1-179.5-172.662000113.4M1 R5 I6 H7 M30 F31M1-L3 PolarHBondContact O-N 3.22Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.04Å; L3-I6 PolarHBondContact O-N 3.22Å; L3-H7 VanDerWaalsContact CD1-CE1 3.47Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.49Å; L3-H7 PolarHBondContact O-N 3.42Å; L3-H7 PolarHBondContact O-ND1 2.93Å; L3-M30 HydrophobicContact CD1-CB 3.47Å; L3-M30 VanDerWaalsContact CD1-CB 3.47Å; L3-M30 HydrophobicContact CD1-CG 3.94Å; L3-F31 HydrophobicContact CB-CE2 4.41Å; L3-F31 HydrophobicContact CB-CZ 4.35Å; L3-F31 HydrophobicContact CD1-CE2 3.99Å
4K97Very high94.9Very high178 Ų17873.6 Ų73.677%0.77437%0.373SS*.Hα-helixtrans-64.5-38.8176.4-173.5177.7-179178.10111.4M1 A2 K8M1-K4 PolarHBondContact O-N 3.2Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.73Å; K4-K8 PolarHBondContact O-N 3.47Å; K4-K8 VanDerWaalsContact O-N 3.12Å
5R97.6Very high94.7Very high56 Ų5681.3 Ų81.321%0.21140%0.395CS..Hα-helixtrans-66.1-45.1175172.762.3-174.9-95.6-14.3111.4M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 2.94Å; M1-R5 VanDerWaalsContact O-N 3.1Å; A2-R5 WeakPolarHBondContact O-CA 3.4Å; A2-R5 WeakPolarHBondContact O-CB 3.03Å; A2-R5 PolarHBondContact O-N 3.34Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.04Å; R5-K8 WeakPolarHBondContact O-CB 3.29Å; R5-K8 PolarHBondContact O-N 2.96Å; R5-E9 IonicContact CZ-OE1 2.76Å; R5-E9 IonicContact NE-OE1 3.54Å; R5-E9 PolarHBondContact NE-OE1 2.89Å; R5-E9 IonicContact NH2-OE1 3.87Å; R5-E9 PolarHBondContact NH2-OE1 3.47Å; R5-E9 PolarHBondContact O-N 2.99Å; R5-Y60 HydrophobicContact CB-CD1 4.49Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.64Å; R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.18Å; R5-P95 PolarHBondContact NH1-O 2.94Å; R5-P95 PolarHBondContact NH2-O 3.09Å; R5-L97 PolarHBondContact NH2-O 3.11Å
6I97.8Very high94.3Very high0 Ų083.8 Ų83.80%041%0.411CS..Hα-helixtrans-60.8-47.3178-66.5169000111A2 L3 K8 E9 L10 M30 F31 W33 F56 Y60A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 2.94Å; L3-I6 PolarHBondContact O-N 3.22Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 3.35Å; I6-E9 PolarHBondContact O-N 3.31Å; I6-L10 PolarHBondContact O-N 2.96Å; I6-M30 HydrophobicContact CG2-CE 3.9Å; I6-M30 WeakPolarHBondContact CG2-O 3.47Å; I6-F31 HydrophobicContact CD1-CD1 3.75Å; I6-F31 HydrophobicContact CD1-CE1 3.7Å; I6-F31 HydrophobicContact CD1-CG 4.21Å; I6-F31 HydrophobicContact CD1-CZ 4.13Å; I6-W33 HydrophobicContact CG2-CH2 4.5Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; I6-F56 HydrophobicContact CD1-CB 3.77Å; I6-F56 HydrophobicContact CD1-CD1 4.05Å; I6-F56 HydrophobicContact CD1-CD2 4.11Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.92Å; I6-F56 HydrophobicContact CG1-CD2 4.49Å; I6-F56 HydrophobicContact CG1-CE1 4.12Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-F56 HydrophobicContact CG1-CZ 4.47Å; I6-F56 HydrophobicContact CG2-CE2 4.36Å; I6-F56 HydrophobicContact CG2-CZ 4.37Å; I6-Y60 HydrophobicContact CD1-CD1 4.49Å; I6-Y60 HydrophobicContact CG1-CD1 3.83Å; I6-Y60 HydrophobicContact CG1-CE1 4.23Å
7H97Very high93.7Very high80 Ų8083.8 Ų83.837%0.3742%0.419SS..Hα-helixtrans-59.5-41.2175.6-8186.7000112.5L3 E9 L10 N11L3-H7 VanDerWaalsContact CD1-CE1 3.47Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.49Å; L3-H7 PolarHBondContact O-N 3.42Å; L3-H7 PolarHBondContact O-ND1 2.93Å; H7-E9 VanDerWaalsContact C-N 3.35Å; H7-L10 PolarHBondContact O-N 3.36Å; H7-N11 VanDerWaalsContact O-CG 3.3Å; H7-N11 PolarHBondContact O-N 3.35Å; H7-N11 PolarHBondContact O-ND2 3.27Å
8K96.9Very high93.2Very high130 Ų13080.1 Ų80.157%0.56540%0.402SS*.Hα-helixtrans-60.2-46.8175.8-178.4179.5176-176.50110.9K4 R5 I6 L10 N11 D12K4-K8 PolarHBondContact O-N 3.47Å; K4-K8 VanDerWaalsContact O-N 3.12Å; R5-K8 WeakPolarHBondContact O-CB 3.29Å; R5-K8 PolarHBondContact O-N 2.96Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 3.35Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.37Å; K8-N11 PolarHBondContact O-N 3.04Å; K8-D12 PolarHBondContact O-N 2.88Å
9E97.2Very high92.5Very high5 Ų580.2 Ų80.22%0.02342%0.416CS..Hα-helixtrans-65.1-35.1177.9-72.1-168.8-138.900113.2R5 I6 H7 D12 L13 Y60 T98 I99R5-E9 IonicContact CZ-OE1 2.76Å; R5-E9 IonicContact NE-OE1 3.54Å; R5-E9 PolarHBondContact NE-OE1 2.89Å; R5-E9 IonicContact NH2-OE1 3.87Å; R5-E9 PolarHBondContact NH2-OE1 3.47Å; R5-E9 PolarHBondContact O-N 2.99Å; I6-E9 PolarHBondContact O-N 3.31Å; H7-E9 VanDerWaalsContact C-N 3.35Å; E9-D12 PolarHBondContact O-N 3.44Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CG 3.4Å; E9-L13 PolarHBondContact O-N 2.97Å; E9-Y60 VanDerWaalsContact CD-OH 3.31Å; E9-Y60 VanDerWaalsContact OE1-CE1 3.32Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.41Å; E9-Y60 PolarHBondContact OE1-OH 3.49Å; E9-Y60 PolarHBondContact OE2-OH 3.26Å; E9-T98 HydrophobicContact CG-CG2 4.29Å; E9-T98 WeakPolarHBondContact OE2-CA 3.36Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.4Å; E9-I99 PolarHBondContact OE2-N 2.89Å
10L96.8Very high92.1Very high40 Ų4080.7 Ų80.721%0.20942%0.417CS..Hα-helixtrans-62.2-45.6173.3-177.260.7000111.1I6 H7 K8 D12 L13 A14 P25 M30 W33I6-L10 PolarHBondContact O-N 2.96Å; H7-L10 PolarHBondContact O-N 3.36Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.37Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.73Å; L10-P25 HydrophobicContact CD2-CG 4.26Å; L10-M30 HydrophobicContact CD2-CE 3.89Å; L10-W33 HydrophobicContact CB-CH2 3.77Å; L10-W33 HydrophobicContact CB-CZ2 3.82Å; L10-W33 HydrophobicContact CD1-CH2 4Å; L10-W33 HydrophobicContact CD1-CZ2 4.14Å; L10-W33 HydrophobicContact CG-CH2 4.47Å; L10-W33 HydrophobicContact CG-CZ2 4.42Å
11N95.9Very high92.2Very high108 Ų10877.2 Ų77.258%0.57840%0.399SS*.Hα-helixtrans-64.6-40176.9-68.7-18.3000111.8H7 K8 A14 R15H7-N11 VanDerWaalsContact O-CG 3.3Å; H7-N11 PolarHBondContact O-N 3.35Å; H7-N11 PolarHBondContact O-ND2 3.27Å; K8-N11 PolarHBondContact O-N 3.04Å; N11-A14 PolarHBondContact O-N 2.8Å; N11-R15 WeakPolarHBondContact O-CB 3.43Å; N11-R15 PolarHBondContact O-N 2.93Å
12D93.8Very high92.7Very high53 Ų5370.9 Ų70.928%0.28338%0.375SS..Hα-helixtrans-65.7-41.5177.2-72.5-31.4000110.9K8 E9 L10 R15 D16K8-D12 PolarHBondContact O-N 2.88Å; E9-D12 PolarHBondContact O-N 3.44Å; L10-D12 VanDerWaalsContact C-N 3.34Å; D12-R15 PolarHBondContact O-N 3Å; D12-R15 IonicContact OD1-CZ 2.73Å; D12-R15 IonicContact OD1-NH1 2.68Å; D12-R15 IonicContact OD1-NH2 3.69Å; D12-R15 PolarHBondContact OD1-NH2 3.44Å; D12-D16 PolarHBondContact O-N 3.36Å
13L93.1Very high92.8Very high13 Ų1371.5 Ų71.57%0.06838%0.38CS..Hα-helixtrans-63.2-39173.2-84.9165.9000112.9E9 L10 R15 D16 P17 P18 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CG 3.4Å; E9-L13 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 2.95Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-D16 CarbonylContact O-C 3.52Å; L13-P17 WeakPolarHBondContact O-CA 3.49Å; L13-P17 VanDerWaalsContact O-N 3.16Å; L13-P18 HydrophobicContact CD2-CG 4.12Å; L13-W33 HydrophobicContact CD1-CH2 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 3.53Å; L13-I99 HydrophobicContact CD1-CB 4.34Å; L13-I99 HydrophobicContact CD1-CG2 4.16Å
14A91.1Very high92.8Very high82 Ų8268.9 Ų68.968%0.67837%0.371SS*.Hα-helixtrans-69.8-33.1177.700000112.2L10 N11L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.73Å; N11-A14 PolarHBondContact O-N 2.8Å
15R91.3Very high92.8Very high189 Ų18962.5 Ų62.571%0.71335%0.348SS*.Hα-helixtrans-77-39.1178.3-174-178.264.3-148.6-15112.4N11 D12 L13N11-R15 WeakPolarHBondContact O-CB 3.43Å; N11-R15 PolarHBondContact O-N 2.93Å; D12-R15 PolarHBondContact O-N 3Å; D12-R15 IonicContact OD1-CZ 2.73Å; D12-R15 IonicContact OD1-NH1 2.68Å; D12-R15 IonicContact OD1-NH2 3.69Å; D12-R15 PolarHBondContact OD1-NH2 3.44Å; L13-R15 VanDerWaalsContact C-N 3.34Å
16D88.3Confident92.7Very high122 Ų12262.8 Ų62.865%0.65236%0.356SS*.SBendtrans-136.376.7-176.6-171.527.6000110D12 L13D12-D16 PolarHBondContact O-N 3.36Å; L13-D16 CarbonylContact O-C 3.52Å
17P84.6Confident92.6Very high83 Ų8365.9 Ų65.954%0.53939%0.387SS..PPolyproline II helixtrans-71132.9-176.827.7-33.4000110.3L13 A19L13-P17 WeakPolarHBondContact O-CA 3.49Å; L13-P17 VanDerWaalsContact O-N 3.16Å; P17-A19 PolarHBondContact O-N 2.92Å
18P84.1Confident92.4Very high17 Ų1770.1 Ų70.111%0.1141%0.413CS..PPolyproline II helixtrans-62.3138175.721.5-27000110.2L13 Q20 C21 L104L13-P18 HydrophobicContact CD2-CG 4.12Å; P18-Q20 PolarHBondContact O-N 2.86Å; P18-C21 HydrophobicContact CB-CB 4.45Å; P18-C21 HydrophobicContact CG-CB 4.18Å; P18-C21 WeakPolarHBondContact CG-O 3.41Å; P18-C21 PolarHBondContact O-N 3.31Å; P18-L104 HydrophobicContact CB-CD2 3.73Å; P18-L104 HydrophobicContact CB-CG 4.05Å
19A80.6Confident92.3Very high82 Ų8267.8 Ų67.868%0.67841%0.406SS*.THydrogen-bonded Turntrans-56.1134.1174.200000109.3P17 C21P17-A19 PolarHBondContact O-N 2.92Å; A19-C21 PolarHBondContact O-N 2.74Å; A19-C21 VanDerWaalsContact O-N 3.13Å; A19-C21 PolarHBondContact O-SG 3.44Å; A19-C21 VanDerWaalsContact O-SG 3.42Å
20Q85.2Confident92.3Very high91 Ų9169 Ų6943%0.42541%0.412SS..THydrogen-bonded Turntrans68.3-3.5178.2-59.2175.3-3.200116.7P18 M38P18-Q20 PolarHBondContact O-N 2.86Å; Q20-M38 HydrophobicContact CB-CB 4Å; Q20-M38 HydrophobicContact CG-CB 4.42Å; Q20-M38 WeakPolarHBondContact O-CG 3.43Å; Q20-M38 PolarHBondContact O-N 3.13Å
21C92.9Very high92.4Very high7 Ų769.9 Ų69.95%0.04742%0.415CS..EExtended strand (participates in β ladder)trans-129.2135-176.2-30.60000109P18 A19 T36 I37 L103 C107P18-C21 HydrophobicContact CB-CB 4.45Å; P18-C21 HydrophobicContact CG-CB 4.18Å; P18-C21 WeakPolarHBondContact CG-O 3.41Å; P18-C21 PolarHBondContact O-N 3.31Å; A19-C21 PolarHBondContact O-N 2.74Å; A19-C21 VanDerWaalsContact O-N 3.13Å; A19-C21 PolarHBondContact O-SG 3.44Å; A19-C21 VanDerWaalsContact O-SG 3.42Å; C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.31Å; C21-T36 WeakPolarHBondContact CA-O 3.41Å; C21-I37 HydrophobicContact CB-CG1 4.17Å; C21-L103 HydrophobicContact CB-CB 4.17Å; C21-C107 WeakPolarHBondContact CB-SG 3.31Å; C21-C107 WeakPolarHBondContact SG-CB 3.44Å; C21-C107 CovalentContact SG-SG 2.12Å; C21-C107 PolarHBondContact SG-SG 3.19Å
22S93.9Very high92.5Very high67 Ų6767.1 Ų67.147%0.46940%0.398SS..EExtended strand (participates in β ladder)trans-135.4150.2177.662.80000110.8A35 T36S22-A35 CarbonylContact O-C 3.56Å; S22-A35 WeakPolarHBondContact O-CA 3.3Å; S22-A35 WeakPolarHBondContact O-CB 3.43Å; S22-T36 PolarHBondContact N-O 3.06Å; S22-T36 PolarHBondContact O-N 3.34Å
23A96.6Very high92.7Very high23 Ų2364.6 Ų64.619%0.1939%0.385CS..EExtended strand (participates in β ladder)trans-154.5153.6176.300000112.7W33 Q34 A35 I99 L103A23-W33 HydrophobicContact CB-CE3 4.06Å; A23-W33 HydrophobicContact CB-CZ3 4.47Å; A23-Q34 CarbonylContact C-O 3.46Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.25Å; A23-A35 HydrophobicContact CB-CB 3.67Å; A23-I99 HydrophobicContact CB-CG2 4.45Å; A23-L103 HydrophobicContact CB-CD1 3.82Å
24G96.7Very high92.9Very high20 Ų2068.7 Ų68.721%0.20640%0.404CS..EExtended strand (participates in β ladder)trans-170.4170175.200000112.9W33 Q34G24-W33 CarbonylContact O-C 3.52Å; G24-W33 WeakPolarHBondContact O-CA 3.49Å; G24-W33 WeakPolarHBondContact O-CB 3.32Å; G24-Q34 PolarHBondContact N-O 3.13Å; G24-Q34 PolarHBondContact O-N 3.08Å
25P97.6Very high93.3Very high44 Ų4464.9 Ų64.929%0.28637%0.372SS..EExtended strand (participates in β ladder)trans-64.9147.7179.228.5-35.2000112.3L10 M30 H32L10-P25 HydrophobicContact CD2-CG 4.26Å; P25-M30 HydrophobicContact CB-SD 3.9Å; P25-M30 HydrophobicContact CG-SD 3.88Å; P25-H32 WeakPolarHBondContact CA-O 3.21Å
26V96.1Very high93.5Very high63 Ų6357.1 Ų57.138%0.38235%0.345SS..EExtended strand (participates in β ladder)trans-93.4107.4173.6-178.50000108.4D28 H32 Q34V26-D28 PolarHBondContact O-N 2.84Å; V26-H32 PolarHBondContact N-O 3.1Å; V26-Q34 HydrophobicContact CG2-CB 3.69Å
27G94.2Very high94Very high64 Ų6451.3 Ų51.366%0.6631%0.314SS*.THydrogen-bonded Turntrans63.3-133.1-174.700000111.4
28D93.1Very high94.6Very high170 Ų17051.3 Ų51.391%0.90931%0.308SS*.THydrogen-bonded Turntrans-92.5-6-176.7-59.7-38.6000113.6V26 M30V26-D28 PolarHBondContact O-N 2.84Å; D28-M30 PolarHBondContact O-N 3.28Å
29D95.5Very high95.2Very high80 Ų8050.8 Ų50.843%0.42831%0.306SS..EExtended strand (participates in β ladder)trans-8398.8179.9-174.34.5000111.5F31 H32D29-F31 PolarHBondContact O-N 2.86Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.77Å; D29-H32 HydrophobicContact CB-CB 4.17Å; D29-H32 PolarHBondContact O-N 3.38Å; D29-H32 VanDerWaalsContact O-N 3.12Å; D29-H32 WeakPolarHBondContact OD2-CB 3.35Å
30M96.9Very high95.9Very high30 Ų3047.1 Ų47.115%0.14828%0.276CS..EExtended strand (participates in β ladder)trans-64.8-16.4176.6-70-61.1-57.500114.2L3 I6 L10 P25 D28 W33L3-M30 HydrophobicContact CD1-CB 3.47Å; L3-M30 VanDerWaalsContact CD1-CB 3.47Å; L3-M30 HydrophobicContact CD1-CG 3.94Å; I6-M30 HydrophobicContact CG2-CE 3.9Å; I6-M30 WeakPolarHBondContact CG2-O 3.47Å; L10-M30 HydrophobicContact CD2-CE 3.89Å; P25-M30 HydrophobicContact CB-SD 3.9Å; P25-M30 HydrophobicContact CG-SD 3.88Å; D28-M30 PolarHBondContact O-N 3.28Å; M30-W33 PolarHBondContact O-NE1 3.25Å
31F98.1Very high96.3Very high60 Ų6046.2 Ų46.226%0.26328%0.279SS..EExtended strand (participates in β ladder)trans-91.7-6.5177-70.6-99.5000113A2 L3 I6 D29 H55 F56A2-F31 HydrophobicContact CB-CE1 3.98Å; A2-F31 HydrophobicContact CB-CZ 4.15Å; L3-F31 HydrophobicContact CB-CE2 4.41Å; L3-F31 HydrophobicContact CB-CZ 4.35Å; L3-F31 HydrophobicContact CD1-CE2 3.99Å; I6-F31 HydrophobicContact CD1-CD1 3.75Å; I6-F31 HydrophobicContact CD1-CE1 3.7Å; I6-F31 HydrophobicContact CD1-CG 4.21Å; I6-F31 HydrophobicContact CD1-CZ 4.13Å; D29-F31 PolarHBondContact O-N 2.86Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.77Å; F31-H55 WeakPolarHBondContact O-CA 3.41Å; F31-F56 HydrophobicContact CB-CB 4.43Å; F31-F56 HydrophobicContact CD1-CB 3.81Å; F31-F56 WeakPolarHBondContact O-CD2 3.47Å; F31-F56 PolarHBondContact O-N 2.9Å
32H98.4Very high96.2Very high49 Ų4953.7 Ų53.723%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-118.2112.3175.3179.8-147.5000110.4P25 V26 D29 T53 H55P25-H32 WeakPolarHBondContact CA-O 3.21Å; V26-H32 PolarHBondContact N-O 3.1Å; D29-H32 HydrophobicContact CB-CB 4.17Å; D29-H32 PolarHBondContact O-N 3.38Å; D29-H32 VanDerWaalsContact O-N 3.12Å; D29-H32 WeakPolarHBondContact OD2-CB 3.35Å; H32-T53 PolarHBondContact CD2-OG1 3.36Å; H32-T53 PolarHBondContact NE2-OG1 3.2Å; H32-H55 AromaticContact CD2-CD2 3.83Å; H32-H55 AromaticContact CD2-CE1 3.34Å; H32-H55 PolarHBondContact CD2-CE1 2.9Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.31Å; H32-H55 PolarHBondContact CD2-NE2 3.04Å; H32-H55 VanDerWaalsContact CD2-NE2 3.31Å; H32-H55 AromaticContact CG-NE2 3.88Å; H32-H55 AromaticContact NE2-CE1 3.47Å; H32-H55 PolarHBondContact NE2-CE1 3.15Å; H32-H55 AromaticContact NE2-NE2 3.64Å
33W98.4Very high96.3Very high0 Ų051.1 Ų51.10%030%0.301CS..EExtended strand (participates in β ladder)trans-114.6153.2179.2-74.325.9000111.2I6 L10 L13 A23 G24 M30 I54 F56 I99I6-W33 HydrophobicContact CG2-CH2 4.5Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; L10-W33 HydrophobicContact CB-CH2 3.77Å; L10-W33 HydrophobicContact CB-CZ2 3.82Å; L10-W33 HydrophobicContact CD1-CH2 4Å; L10-W33 HydrophobicContact CD1-CZ2 4.14Å; L10-W33 HydrophobicContact CG-CH2 4.47Å; L10-W33 HydrophobicContact CG-CZ2 4.42Å; L13-W33 HydrophobicContact CD1-CH2 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 3.53Å; A23-W33 HydrophobicContact CB-CE3 4.06Å; A23-W33 HydrophobicContact CB-CZ3 4.47Å; G24-W33 CarbonylContact O-C 3.52Å; G24-W33 WeakPolarHBondContact O-CA 3.49Å; G24-W33 WeakPolarHBondContact O-CB 3.32Å; M30-W33 PolarHBondContact O-NE1 3.25Å; W33-I54 HydrophobicContact CB-CB 3.99Å; W33-I54 HydrophobicContact CB-CG2 4.5Å; W33-I54 PolarHBondContact N-O 3.32Å; W33-I54 PolarHBondContact O-N 3.36Å; W33-F56 HydrophobicContact CB-CE2 4.21Å; W33-F56 AromaticContact CD1-CE2 3.62Å; W33-F56 AromaticContact CD2-CE2 3.57Å; W33-F56 HydrophobicContact CD2-CE2 3.57Å; W33-F56 AromaticContact CD2-CZ 3.87Å; W33-F56 HydrophobicContact CD2-CZ 3.87Å; W33-F56 AromaticContact CE2-CE2 3.65Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.15Å; W33-F56 HydrophobicContact CE3-CZ 4Å; W33-F56 AromaticContact CG-CE2 3.59Å; W33-F56 HydrophobicContact CG-CE2 3.59Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.29Å; W33-F56 HydrophobicContact CZ2-CE2 4.3Å; W33-F56 HydrophobicContact CZ2-CZ 4.16Å; W33-F56 HydrophobicContact CZ3-CZ 4.21Å; W33-F56 AromaticContact NE1-CE2 3.65Å; W33-I99 HydrophobicContact CE3-CG2 4.33Å; W33-I99 HydrophobicContact CZ3-CB 4.37Å; W33-I99 HydrophobicContact CZ3-CG1 4.33Å; W33-I99 HydrophobicContact CZ3-CG2 4.13Å
34Q98.3Very high96.4Very high100 Ų10051 Ų5147%0.46730%0.298SS..EExtended strand (participates in β ladder)trans-109.1140.7164.2-177.3171.964.600108.4A23 G24 V26 L52A23-Q34 CarbonylContact C-O 3.46Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.25Å; G24-Q34 PolarHBondContact N-O 3.13Å; G24-Q34 PolarHBondContact O-N 3.08Å; V26-Q34 HydrophobicContact CG2-CB 3.69Å; Q34-L52 WeakPolarHBondContact CA-O 3.47Å
35A97.9Very high96.5Very high1 Ų150 Ų501%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-125.3155.9171.700000110.9S22 A23 F51 L52 I54 L103S22-A35 CarbonylContact O-C 3.56Å; S22-A35 WeakPolarHBondContact O-CA 3.3Å; S22-A35 WeakPolarHBondContact O-CB 3.43Å; A23-A35 HydrophobicContact CB-CB 3.67Å; A35-F51 CarbonylContact O-C 3.26Å; A35-F51 WeakPolarHBondContact O-CA 3.4Å; A35-L52 HydrophobicContact CB-CB 4.31Å; A35-L52 PolarHBondContact N-O 2.85Å; A35-L52 PolarHBondContact O-N 3.48Å; A35-I54 HydrophobicContact CB-CD1 3.77Å; A35-I54 HydrophobicContact CB-CG1 4.5Å; A35-L103 HydrophobicContact CB-CD1 4.36Å; A35-L103 HydrophobicContact CB-CD2 3.77Å
36T97.1Very high96.5Very high26 Ų2652.8 Ų52.816%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-127.5133.2175.6-56.10000108.1C21 S22 V49 F50 F51C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.31Å; C21-T36 WeakPolarHBondContact CA-O 3.41Å; S22-T36 PolarHBondContact N-O 3.06Å; S22-T36 PolarHBondContact O-N 3.34Å; T36-V49 HydrophobicContact CG2-CG1 3.35Å; T36-F50 CarbonylContact C-O 3.55Å; T36-F50 WeakPolarHBondContact CA-O 3.15Å; T36-F51 HydrophobicContact CG2-CE1 4.32Å
37I97.1Very high96.5Very high0 Ų052 Ų520%030%0.302CS..EExtended strand (participates in β ladder)trans-120.5122.4172.9-66.5176.4000107.3C21 F50 L52 L103 I106 C107 L110C21-I37 HydrophobicContact CB-CG1 4.17Å; I37-F50 PolarHBondContact N-O 3.5Å; I37-F50 PolarHBondContact O-N 2.89Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.65Å; I37-L52 HydrophobicContact CD1-CD2 4.15Å; I37-L52 HydrophobicContact CG1-CD1 3.72Å; I37-L103 HydrophobicContact CD1-CD2 4.29Å; I37-I106 HydrophobicContact CD1-CB 4.02Å; I37-I106 HydrophobicContact CD1-CG2 3.55Å; I37-C107 WeakPolarHBondContact CG2-SG 3.37Å; I37-L110 HydrophobicContact CG2-CD1 3.96Å
38M97.5Very high96.6Very high83 Ų8349 Ų4941%0.40927%0.271SS..EExtended strand (participates in β ladder)trans-74.9132.8167.5-54.3-60.7-65.300108Q20 P40 V49Q20-M38 HydrophobicContact CB-CB 4Å; Q20-M38 HydrophobicContact CG-CB 4.42Å; Q20-M38 WeakPolarHBondContact O-CG 3.43Å; Q20-M38 PolarHBondContact O-N 3.13Å; M38-P40 WeakPolarHBondContact O-CD 3.34Å; M38-V49 HydrophobicContact CE-CG2 3.83Å; M38-V49 HydrophobicContact SD-CG1 4.33Å; M38-V49 HydrophobicContact SD-CG2 3.89Å
39G97Very high96.9Very high7 Ų743 Ų437%0.07224%0.24CC..PPolyproline II helixtrans-56.5124.2176.300000110.9Y45 G48G39-Y45 WeakPolarHBondContact CA-O 3.25Å; G39-G48 PolarHBondContact N-O 2.95Å
40P95.9Very high97Very high5 Ų539.2 Ų39.23%0.03222%0.22CC..PPolyproline II helixtrans-58.5145.5-175.5-26.634.5000112.6M38 S43 Q46 L110 C111M38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-S43 WeakPolarHBondContact O-CB 3.36Å; P40-S43 PolarHBondContact O-N 3.36Å; P40-S43 PolarHBondContact O-OG 3.38Å; P40-Q46 WeakPolarHBondContact O-CA 3.48Å; P40-Q46 WeakPolarHBondContact O-CB 3.48Å; P40-L110 HydrophobicContact CG-CB 4.16Å; P40-C111 WeakPolarHBondContact CB-SG 3.37Å; P40-C111 VanDerWaalsContact CG-SG 3.57Å
41S93.3Very high97.1Very high72 Ų7241.7 Ų41.750%0.50323%0.23SC..THydrogen-bonded Turntrans-58.5150.1169.9-56.10000110.8S43S41-S43 PolarHBondContact O-N 3.11Å
42D91.6Very high97.1Very high164 Ų16438.8 Ų38.888%0.87722%0.218SC*.THydrogen-bonded Turntrans6112.7-179.2-54.1-49.3000114.5
43S95.9Very high97.1Very high13 Ų1337.9 Ų37.99%0.09122%0.215CC..SBendtrans-105160.2170.584.60000110.6P40 S41 Y45 Q46P40-S43 WeakPolarHBondContact O-CB 3.36Å; P40-S43 PolarHBondContact O-N 3.36Å; P40-S43 PolarHBondContact O-OG 3.38Å; S41-S43 PolarHBondContact O-N 3.11Å; S43-Y45 PolarHBondContact O-N 3.02Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.14Å; S43-Y45 VanDerWaalsContact OG-N 3.13Å; S43-Q46 WeakPolarHBondContact O-CB 3.47Å; S43-Q46 PolarHBondContact O-N 3.35Å; S43-Q46 PolarHBondContact OG-N 2.78Å
44P97.8Very high97.1Very high19 Ų1937.9 Ų37.912%0.12322%0.215CC..THydrogen-bonded Turntrans-65.3-8.5171.829.5-36000113.4Y134 I135 A138 K139 T142P44-Y134 HydrophobicContact CG-CE1 4.2Å; P44-I135 HydrophobicContact CB-CG2 4.34Å; P44-A138 HydrophobicContact CB-CB 3.56Å; P44-A138 HydrophobicContact CG-CB 3.68Å; P44-K139 HydrophobicContact CB-CG 3.87Å; P44-K139 WeakPolarHBondContact O-CA 3.2Å; P44-K139 WeakPolarHBondContact O-CG 3.32Å; P44-T142 PolarHBondContact O-OG1 3.33Å
45Y98.3Very high97.1Very high0 Ų037 Ų370%021%0.211CC..THydrogen-bonded Turntrans-91.7-7.7179-50.2-65.5000113.2G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 WeakPolarHBondContact CA-O 3.25Å; S43-Y45 PolarHBondContact O-N 3.02Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.14Å; S43-Y45 VanDerWaalsContact OG-N 3.13Å; Y45-G47 PolarHBondContact O-N 3.32Å; Y45-G48 PolarHBondContact O-N 3.29Å; Y45-F50 AromaticContact CD1-CZ 3.93Å; Y45-F50 HydrophobicContact CD1-CZ 3.93Å; Y45-F50 HydrophobicContact CG-CZ 4.33Å; Y45-I73 HydrophobicContact CD1-CD1 3.88Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.7Å; Y45-I73 HydrophobicContact CE1-CG1 3.59Å; Y45-Y74 PolarHBondContact OH-O 3.45Å; Y45-H75 AromaticContact CZ-CD2 3.93Å; Y45-H75 PolarHBondContact OH-CD2 2.83Å; Y45-H75 VanDerWaalsContact OH-CD2 3.25Å; Y45-L110 HydrophobicContact CD2-CB 4.02Å; Y45-L110 HydrophobicContact CD2-CD2 4.43Å; Y45-L110 HydrophobicContact CE2-CB 4.26Å; Y45-L110 HydrophobicContact CE2-CD2 4.28Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.37Å; Y45-Y134 PolarHBondContact OH-OH 3.4Å; Y45-A138 HydrophobicContact CE1-CB 4Å; Y45-T142 WeakPolarHBondContact O-CG2 3.39Å
46Q97.4Very high97.2Very high102 Ų10237.7 Ų37.748%0.47721%0.214SC..THydrogen-bonded Turntrans-49.6131.8-176.3-179.5175.9-39.600112.3P40 S43 G48 M147P40-Q46 WeakPolarHBondContact O-CA 3.48Å; P40-Q46 WeakPolarHBondContact O-CB 3.48Å; S43-Q46 WeakPolarHBondContact O-CB 3.47Å; S43-Q46 PolarHBondContact O-N 3.35Å; S43-Q46 PolarHBondContact OG-N 2.78Å; Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 3.2Å; Q46-M147 WeakPolarHBondContact O-CE 3.47Å
47G96.3Very high97.2Very high48 Ų4837.8 Ų37.850%0.49522%0.215SC..THydrogen-bonded Turntrans83.8-9.5-179.900000114.6Y45Y45-G47 PolarHBondContact O-N 3.32Å
48G97.9Very high97.2Very high0 Ų044 Ų440%025%0.253CS..  trans-79.8155.6171.500000113.4G39 Y45 Q46 A146G39-G48 PolarHBondContact N-O 2.95Å; Y45-G48 PolarHBondContact O-N 3.29Å; Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 3.2Å; G48-A146 CarbonylContact C-O 3.5Å; G48-A146 WeakPolarHBondContact CA-O 3.4Å
49V98.2Very high97.1Very high44 Ų4442.4 Ų42.427%0.26725%0.246SC..EExtended strand (participates in β ladder)trans-119114.7174.3-174.50000108.5T36 M38 F51 A146T36-V49 HydrophobicContact CG2-CG1 3.35Å; M38-V49 HydrophobicContact CE-CG2 3.83Å; M38-V49 HydrophobicContact SD-CG1 4.33Å; M38-V49 HydrophobicContact SD-CG2 3.89Å; V49-F51 HydrophobicContact CG1-CE1 4.49Å; V49-F51 HydrophobicContact CG1-CE2 4.16Å; V49-F51 HydrophobicContact CG1-CZ 3.99Å; V49-A146 PolarHBondContact N-O 2.93Å
50F98.6Very high97.1Very high1 Ų142.2 Ų42.20%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-107.7122.2-177.1-58.9-87.6000110.3T36 I37 Y45 L52 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.55Å; T36-F50 WeakPolarHBondContact CA-O 3.15Å; I37-F50 PolarHBondContact N-O 3.5Å; I37-F50 PolarHBondContact O-N 2.89Å; Y45-F50 AromaticContact CD1-CZ 3.93Å; Y45-F50 HydrophobicContact CD1-CZ 3.93Å; Y45-F50 HydrophobicContact CG-CZ 4.33Å; F50-L52 WeakPolarHBondContact O-CD1 3.42Å; F50-F69 HydrophobicContact CB-CD1 4.09Å; F50-F69 HydrophobicContact CB-CE1 3.75Å; F50-F69 HydrophobicContact CD1-CD1 4.47Å; F50-F69 HydrophobicContact CD1-CE1 4.32Å; F50-F69 HydrophobicContact CG-CE1 4.19Å; F50-T71 HydrophobicContact CD1-CG2 3.82Å; F50-T71 HydrophobicContact CE1-CG2 4.39Å; F50-I73 HydrophobicContact CD1-CB 4.26Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.31Å; F50-I73 HydrophobicContact CE1-CB 4.03Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.78Å; F50-I73 HydrophobicContact CZ-CD1 4.15Å; F50-I73 HydrophobicContact CZ-CG1 4.43Å; F50-T142 HydrophobicContact CZ-CG2 4.15Å; F50-A146 HydrophobicContact CD1-CB 4.01Å; F50-A146 HydrophobicContact CE1-CB 3.57Å; F50-A146 HydrophobicContact CE2-CB 4.26Å; F50-A146 HydrophobicContact CZ-CB 3.71Å
51F98.3Very high97.2Very high81 Ų8142.8 Ų42.836%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-91.5142.6175-63.3-78.7000110.5A35 T36 V49 T70 T71A35-F51 CarbonylContact O-C 3.26Å; A35-F51 WeakPolarHBondContact O-CA 3.4Å; T36-F51 HydrophobicContact CG2-CE1 4.32Å; V49-F51 HydrophobicContact CG1-CE1 4.49Å; V49-F51 HydrophobicContact CG1-CE2 4.16Å; V49-F51 HydrophobicContact CG1-CZ 3.99Å; F51-T70 VanDerWaalsContact C-OG1 3.29Å; F51-T70 WeakPolarHBondContact CB-OG1 3.38Å; F51-T70 PolarHBondContact O-N 3.34Å; F51-T70 PolarHBondContact O-OG1 3.45Å; F51-T70 VanDerWaalsContact O-OG1 3.1Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T71 PolarHBondContact N-OG1 3.2Å; F51-T71 PolarHBondContact O-N 2.87Å
52L98.6Very high97.4Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-131.3151.3176-56.789.3000109.6Q34 A35 I37 F50 V67 A68 F69 I84 I106Q34-L52 WeakPolarHBondContact CA-O 3.47Å; A35-L52 HydrophobicContact CB-CB 4.31Å; A35-L52 PolarHBondContact N-O 2.85Å; A35-L52 PolarHBondContact O-N 3.48Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.65Å; I37-L52 HydrophobicContact CD1-CD2 4.15Å; I37-L52 HydrophobicContact CG1-CD1 3.72Å; F50-L52 WeakPolarHBondContact O-CD1 3.42Å; L52-V67 HydrophobicContact CB-CG1 4.47Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; L52-A68 CarbonylContact C-O 3.15Å; L52-A68 WeakPolarHBondContact CA-O 3.43Å; L52-A68 WeakPolarHBondContact CB-O 3.22Å; L52-F69 HydrophobicContact CD1-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.83Å; L52-F69 HydrophobicContact CD2-CE1 4.32Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.24Å; L52-F69 HydrophobicContact CD2-CZ 3.91Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.27Å; L52-F69 HydrophobicContact CG-CE1 4.29Å; L52-F69 HydrophobicContact CG-CE2 4.36Å; L52-F69 HydrophobicContact CG-CG 4.17Å; L52-F69 HydrophobicContact CG-CZ 4.37Å; L52-I84 HydrophobicContact CD2-CD1 4.19Å; L52-I106 HydrophobicContact CD2-CD1 4.08Å; L52-I106 HydrophobicContact CD2-CG2 4.43Å
53T98.4Very high97.6Very high29 Ų2944 Ų4418%0.17824%0.236CC..EExtended strand (participates in β ladder)trans-108.9140.7167.6-170.80000110H32 H55 V67 A68 T70H32-T53 PolarHBondContact CD2-OG1 3.36Å; H32-T53 PolarHBondContact NE2-OG1 3.2Å; T53-H55 PolarHBondContact OG1-CE1 2.8Å; T53-V67 WeakPolarHBondContact O-CA 3.41Å; T53-A68 HydrophobicContact CG2-CB 4.27Å; T53-A68 PolarHBondContact N-O 3.47Å; T53-A68 PolarHBondContact O-N 2.79Å; T53-T70 HydrophobicContact CG2-CG2 4.12Å
54I98.6Very high97.7Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-126.7123.3-178.4-58.3172.2000107.2W33 A35 F56 P65 K66 V67 I99 L103W33-I54 HydrophobicContact CB-CB 3.99Å; W33-I54 HydrophobicContact CB-CG2 4.5Å; W33-I54 PolarHBondContact N-O 3.32Å; W33-I54 PolarHBondContact O-N 3.36Å; A35-I54 HydrophobicContact CB-CD1 3.77Å; A35-I54 HydrophobicContact CB-CG1 4.5Å; I54-F56 HydrophobicContact CG2-CD2 4.38Å; I54-F56 HydrophobicContact CG2-CE2 3.98Å; I54-F56 HydrophobicContact CG2-CZ 4.18Å; I54-P65 HydrophobicContact CG2-CB 3.96Å; I54-K66 CarbonylContact C-O 3.32Å; I54-K66 WeakPolarHBondContact CA-O 3.31Å; I54-V67 HydrophobicContact CG1-CG1 4.11Å; I54-V67 HydrophobicContact CG1-CG2 4.13Å; I54-V67 HydrophobicContact CG2-CG2 4.32Å; I54-I99 HydrophobicContact CD1-CG2 3.98Å; I54-I99 HydrophobicContact CG2-CD1 3.99Å; I54-L103 HydrophobicContact CD1-CD2 4.43Å
55H98.5Very high97.7Very high83 Ų8344.4 Ų44.438%0.38424%0.238SC..EExtended strand (participates in β ladder)trans-118117.5173.8-68.376000109.8F31 H32 T53 P65 K66F31-H55 WeakPolarHBondContact O-CA 3.41Å; H32-H55 AromaticContact CD2-CD2 3.83Å; H32-H55 AromaticContact CD2-CE1 3.34Å; H32-H55 PolarHBondContact CD2-CE1 2.9Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.31Å; H32-H55 PolarHBondContact CD2-NE2 3.04Å; H32-H55 VanDerWaalsContact CD2-NE2 3.31Å; H32-H55 AromaticContact CG-NE2 3.88Å; H32-H55 AromaticContact NE2-CE1 3.47Å; H32-H55 PolarHBondContact NE2-CE1 3.15Å; H32-H55 AromaticContact NE2-NE2 3.64Å; T53-H55 PolarHBondContact OG1-CE1 2.8Å; H55-P65 CarbonylContact O-C 3.51Å; H55-P65 WeakPolarHBondContact O-CA 3.34Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 2.86Å; H55-K66 PolarHBondContact O-N 3.31Å
56F98.4Very high97.7Very high14 Ų1452.4 Ų52.46%0.06127%0.273CS..  trans-79.6138.1175.9-62.6-93.3000110.2I6 F31 W33 I54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.77Å; I6-F56 HydrophobicContact CD1-CD1 4.05Å; I6-F56 HydrophobicContact CD1-CD2 4.11Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.92Å; I6-F56 HydrophobicContact CG1-CD2 4.49Å; I6-F56 HydrophobicContact CG1-CE1 4.12Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-F56 HydrophobicContact CG1-CZ 4.47Å; I6-F56 HydrophobicContact CG2-CE2 4.36Å; I6-F56 HydrophobicContact CG2-CZ 4.37Å; F31-F56 HydrophobicContact CB-CB 4.43Å; F31-F56 HydrophobicContact CD1-CB 3.81Å; F31-F56 WeakPolarHBondContact O-CD2 3.47Å; F31-F56 PolarHBondContact O-N 2.9Å; W33-F56 HydrophobicContact CB-CE2 4.21Å; W33-F56 AromaticContact CD1-CE2 3.62Å; W33-F56 AromaticContact CD2-CE2 3.57Å; W33-F56 HydrophobicContact CD2-CE2 3.57Å; W33-F56 AromaticContact CD2-CZ 3.87Å; W33-F56 HydrophobicContact CD2-CZ 3.87Å; W33-F56 AromaticContact CE2-CE2 3.65Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.15Å; W33-F56 HydrophobicContact CE3-CZ 4Å; W33-F56 AromaticContact CG-CE2 3.59Å; W33-F56 HydrophobicContact CG-CE2 3.59Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.29Å; W33-F56 HydrophobicContact CZ2-CE2 4.3Å; W33-F56 HydrophobicContact CZ2-CZ 4.16Å; W33-F56 HydrophobicContact CZ3-CZ 4.21Å; W33-F56 AromaticContact NE1-CE2 3.65Å; I54-F56 HydrophobicContact CG2-CD2 4.38Å; I54-F56 HydrophobicContact CG2-CE2 3.98Å; I54-F56 HydrophobicContact CG2-CZ 4.18Å; F56-Y60 AromaticContact CD1-CD1 3.86Å; F56-Y60 HydrophobicContact CD1-CD1 3.86Å; F56-Y60 AromaticContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CD2 3.8Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.85Å; F56-Y60 HydrophobicContact CD1-CE2 3.85Å; F56-Y60 AromaticContact CD1-CG 3.82Å; F56-Y60 HydrophobicContact CD1-CG 3.82Å; F56-Y60 AromaticContact CD1-CZ 3.91Å; F56-Y60 HydrophobicContact CE1-CD1 4.34Å; F56-Y60 AromaticContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; F56-P65 HydrophobicContact CD1-CB 4.23Å; F56-I99 HydrophobicContact CE1-CD1 3.58Å; F56-I99 HydrophobicContact CE1-CG1 3.55Å; F56-I99 HydrophobicContact CZ-CD1 3.78Å; F56-I99 HydrophobicContact CZ-CG1 3.53Å
57P97.8Very high97.7Very high29 Ų2948.2 Ų48.219%0.18825%0.254CS..  trans-75159.5170.934.4-37.2000110.6D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.47Å; P57-D59 PolarHBondContact O-N 2.84Å; P57-Y60 HydrophobicContact CG-CD2 4.49Å; P57-Y60 WeakPolarHBondContact O-CB 3.42Å; P57-Y60 PolarHBondContact O-N 2.9Å; P57-Y60 VanDerWaalsContact O-N 3.1Å; P57-K63 HydrophobicContact CB-CB 4.22Å; P57-K63 HydrophobicContact CG-CB 3.69Å; P57-K63 WeakPolarHBondContact CG-O 3.48Å; P57-P64 WeakPolarHBondContact CD-O 3.35Å; P57-P64 WeakPolarHBondContact CG-O 3.33Å
58T96.4Very high97.8Very high130 Ų13047.1 Ų47.180%0.79824%0.24SC*.THydrogen-bonded Turntrans-64-24.3-179.750.60000113.3A2A2-T58 WeakPolarHBondContact CB-O 3.31Å
59D96.1Very high97.9Very high50 Ų5047.5 Ų47.527%0.26724%0.242SC..THydrogen-bonded Turntrans-99.317.3177.359.3-4.1000113.5P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.47Å; P57-D59 PolarHBondContact O-N 2.84Å; D59-F62 WeakPolarHBondContact O-CB 3.42Å; D59-F62 WeakPolarHBondContact O-CD2 3.49Å; D59-F62 PolarHBondContact O-N 2.83Å; D59-K63 WeakPolarHBondContact OD1-CB 3.48Å; D59-K63 WeakPolarHBondContact OD1-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CD 3.23Å; D59-K63 WeakPolarHBondContact OD2-CE 3.25Å; D59-K63 WeakPolarHBondContact OD2-CG 3.38Å; D59-K63 IonicContact OD2-NZ 3.62Å; D59-K63 PolarHBondContact OD2-NZ 3.38Å
60Y97.8Very high97.9Very high2 Ų249.4 Ų49.41%0.00825%0.254CS..THydrogen-bonded Turntrans-54136.6172-170.1-104.4000111.1A2 R5 I6 E9 F56 P57 K63 W93A2-Y60 WeakPolarHBondContact CA-O 3.19Å; A2-Y60 WeakPolarHBondContact CB-O 3.37Å; R5-Y60 HydrophobicContact CB-CD1 4.49Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.64Å; I6-Y60 HydrophobicContact CD1-CD1 4.49Å; I6-Y60 HydrophobicContact CG1-CD1 3.83Å; I6-Y60 HydrophobicContact CG1-CE1 4.23Å; E9-Y60 VanDerWaalsContact CD-OH 3.31Å; E9-Y60 VanDerWaalsContact OE1-CE1 3.32Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.41Å; E9-Y60 PolarHBondContact OE1-OH 3.49Å; E9-Y60 PolarHBondContact OE2-OH 3.26Å; F56-Y60 AromaticContact CD1-CD1 3.86Å; F56-Y60 HydrophobicContact CD1-CD1 3.86Å; F56-Y60 AromaticContact CD1-CD2 3.8Å; F56-Y60 HydrophobicContact CD1-CD2 3.8Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.85Å; F56-Y60 HydrophobicContact CD1-CE2 3.85Å; F56-Y60 AromaticContact CD1-CG 3.82Å; F56-Y60 HydrophobicContact CD1-CG 3.82Å; F56-Y60 AromaticContact CD1-CZ 3.91Å; F56-Y60 HydrophobicContact CE1-CD1 4.34Å; F56-Y60 AromaticContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; P57-Y60 HydrophobicContact CG-CD2 4.49Å; P57-Y60 WeakPolarHBondContact O-CB 3.42Å; P57-Y60 PolarHBondContact O-N 2.9Å; P57-Y60 VanDerWaalsContact O-N 3.1Å; Y60-K63 WeakPolarHBondContact CD2-O 3.49Å; Y60-W93 HydrophobicContact CD2-CZ2 4.22Å; Y60-W93 AromaticContact CE2-CH2 3.64Å; Y60-W93 HydrophobicContact CE2-CH2 3.64Å; Y60-W93 AromaticContact CE2-CZ2 3.47Å; Y60-W93 HydrophobicContact CE2-CZ2 3.47Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.47Å
61P97.3Very high97.9Very high17 Ų1750.1 Ų50.111%0.1126%0.258CS..THydrogen-bonded Turncis-95.617.27.439-36.5000115R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.18Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.64Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 2.85Å; P61-P95 HydrophobicContact CB-CB 4.29Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å
62F96.9Very high97.8Very high147 Ų14753.6 Ų53.665%0.64527%0.269SS*.SBendtrans-74.6-22.7-179.2-59.9-70.1000113.2D59 P95D59-F62 WeakPolarHBondContact O-CB 3.42Å; D59-F62 WeakPolarHBondContact O-CD2 3.49Å; D59-F62 PolarHBondContact O-N 2.83Å; F62-P95 HydrophobicContact CD1-CG 4.18Å
63K96.8Very high97.8Very high115 Ų11554.1 Ų54.150%0.527%0.272SS..SBendtrans-115.5150.3166.5-70.5-172.3-175.1132.30111.2P57 D59 Y60 P61P57-K63 HydrophobicContact CB-CB 4.22Å; P57-K63 HydrophobicContact CG-CB 3.69Å; P57-K63 WeakPolarHBondContact CG-O 3.48Å; D59-K63 WeakPolarHBondContact OD1-CB 3.48Å; D59-K63 WeakPolarHBondContact OD1-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CD 3.23Å; D59-K63 WeakPolarHBondContact OD2-CE 3.25Å; D59-K63 WeakPolarHBondContact OD2-CG 3.38Å; D59-K63 IonicContact OD2-NZ 3.62Å; D59-K63 PolarHBondContact OD2-NZ 3.38Å; Y60-K63 WeakPolarHBondContact CD2-O 3.49Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.64Å
64P97.6Very high97.8Very high37 Ų3753.8 Ų53.824%0.2427%0.267CS..  trans-67153176.925.9-32.4000111.9P57 L89 W93P57-P64 WeakPolarHBondContact CD-O 3.35Å; P57-P64 WeakPolarHBondContact CG-O 3.33Å; P64-L89 WeakPolarHBondContact CG-O 3.42Å; P64-W93 HydrophobicContact CB-CB 3.93Å; P64-W93 HydrophobicContact CB-CD2 3.55Å; P64-W93 HydrophobicContact CB-CE3 3.79Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CG-CB 4.11Å; P64-W93 HydrophobicContact CG-CD2 4.5Å; P64-W93 HydrophobicContact CG-CG 4.05Å
65P97.9Very high97.8Very high3 Ų353.8 Ų53.82%0.01927%0.267CS..  trans-69.4149.116733.1-33000110I54 H55 F56 V67 L89 W93 I99I54-P65 HydrophobicContact CG2-CB 3.96Å; H55-P65 CarbonylContact O-C 3.51Å; H55-P65 WeakPolarHBondContact O-CA 3.34Å; F56-P65 HydrophobicContact CD1-CB 4.23Å; P65-V67 HydrophobicContact CB-CG2 4.43Å; P65-V67 HydrophobicContact CG-CG2 4.2Å; P65-L89 HydrophobicContact CG-CD2 4.48Å; P65-W93 HydrophobicContact CG-CH2 4.47Å; P65-W93 HydrophobicContact CG-CZ3 4.45Å; P65-I99 HydrophobicContact CB-CD1 4.17Å; P65-I99 HydrophobicContact CG-CD1 3.69Å
66K98.1Very high97.8Very high169 Ų16949.8 Ų49.874%0.73525%0.249SC*.EExtended strand (participates in β ladder)trans-83.6115.9169.1-65.5-178-179.31790108.5I54 H55I54-K66 CarbonylContact C-O 3.32Å; I54-K66 WeakPolarHBondContact CA-O 3.31Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 2.86Å; H55-K66 PolarHBondContact O-N 3.31Å
67V98.4Very high97.8Very high13 Ų1349.2 Ų49.28%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-115.7132.1178.8-172.20000109.4L52 T53 I54 P65 I84 L89 V102 I106L52-V67 HydrophobicContact CB-CG1 4.47Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; T53-V67 WeakPolarHBondContact O-CA 3.41Å; I54-V67 HydrophobicContact CG1-CG1 4.11Å; I54-V67 HydrophobicContact CG1-CG2 4.13Å; I54-V67 HydrophobicContact CG2-CG2 4.32Å; P65-V67 HydrophobicContact CB-CG2 4.43Å; P65-V67 HydrophobicContact CG-CG2 4.2Å; V67-I84 HydrophobicContact CB-CD1 4.39Å; V67-I84 HydrophobicContact CG1-CD1 3.97Å; V67-L89 HydrophobicContact CB-CD1 4.08Å; V67-L89 HydrophobicContact CB-CD2 4.49Å; V67-L89 HydrophobicContact CG2-CD1 4.41Å; V67-L89 HydrophobicContact CG2-CD2 3.94Å; V67-V102 HydrophobicContact CG2-CG1 4.17Å; V67-I106 HydrophobicContact CG1-CD1 3.92Å
68A98.3Very high97.8Very high25 Ų2547.9 Ų47.921%0.20724%0.238CC..EExtended strand (participates in β ladder)trans-144.6145176.600000111.2L52 T53 G82L52-A68 CarbonylContact C-O 3.15Å; L52-A68 WeakPolarHBondContact CA-O 3.43Å; L52-A68 WeakPolarHBondContact CB-O 3.22Å; T53-A68 HydrophobicContact CG2-CB 4.27Å; T53-A68 PolarHBondContact N-O 3.47Å; T53-A68 PolarHBondContact O-N 2.79Å; A68-G82 CarbonylContact C-O 3.56Å; A68-G82 VanDerWaalsContact CA-O 3.23Å; A68-G82 WeakPolarHBondContact CA-O 3.49Å
69F98.6Very high97.8Very high9 Ų943.5 Ų43.54%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-69.9133.8169.7-80.4-104.5000110.3F50 L52 I73 I78 G82 I84 I106 L110F50-F69 HydrophobicContact CB-CD1 4.09Å; F50-F69 HydrophobicContact CB-CE1 3.75Å; F50-F69 HydrophobicContact CD1-CD1 4.47Å; F50-F69 HydrophobicContact CD1-CE1 4.32Å; F50-F69 HydrophobicContact CG-CE1 4.19Å; L52-F69 HydrophobicContact CD1-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.83Å; L52-F69 HydrophobicContact CD2-CE1 4.32Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.24Å; L52-F69 HydrophobicContact CD2-CZ 3.91Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.27Å; L52-F69 HydrophobicContact CG-CE1 4.29Å; L52-F69 HydrophobicContact CG-CE2 4.36Å; L52-F69 HydrophobicContact CG-CG 4.17Å; L52-F69 HydrophobicContact CG-CZ 4.37Å; F69-I73 HydrophobicContact CD1-CG2 4.23Å; F69-I73 HydrophobicContact CE1-CD1 4.24Å; F69-I73 HydrophobicContact CG-CG2 4.43Å; F69-I78 HydrophobicContact CB-CG2 4.41Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.96Å; F69-I78 HydrophobicContact CE1-CD1 4.38Å; F69-I78 HydrophobicContact CE2-CD1 3.38Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CG-CG2 4.3Å; F69-I78 HydrophobicContact CZ-CD1 3.68Å; F69-G82 PolarHBondContact N-O 2.97Å; F69-G82 WeakPolarHBondContact O-CA 3.15Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; F69-I106 HydrophobicContact CE2-CG2 3.84Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; F69-L110 HydrophobicContact CZ-CD2 4.42Å
70T98.1Very high97.7Very high83 Ų8346 Ų4651%0.50923%0.231SC..SBendtrans-97-28.2166.855.60000110.9F51 T53F51-T70 VanDerWaalsContact C-OG1 3.29Å; F51-T70 WeakPolarHBondContact CB-OG1 3.38Å; F51-T70 PolarHBondContact O-N 3.34Å; F51-T70 PolarHBondContact O-OG1 3.45Å; F51-T70 VanDerWaalsContact O-OG1 3.1Å; T53-T70 HydrophobicContact CG2-CG2 4.12Å
71T98.3Very high97.6Very high17 Ų1752 Ų5210%0.10426%0.263CS..SBendtrans-77.5133.4168.7-58.40000110.6F50 F51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.82Å; F50-T71 HydrophobicContact CE1-CG2 4.39Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T71 PolarHBondContact N-OG1 3.2Å; F51-T71 PolarHBondContact O-N 2.87Å; T71-Y145 VanDerWaalsContact CG2-O 3.29Å; T71-Y145 WeakPolarHBondContact CG2-O 3.32Å; T71-A146 HydrophobicContact CG2-CB 3.94Å
72R98.1Very high97.5Very high153 Ų15351.5 Ų51.558%0.57726%0.261SS*.  trans-67.6138.1174.9-66.8-176.8-178.8-174.10.9110.6W141 Y145R72-W141 HydrophobicContact CB-CE3 4.31Å; R72-W141 HydrophobicContact CB-CZ3 4.08Å; R72-Y145 HydrophobicContact CB-CD1 4.35Å; R72-Y145 HydrophobicContact CB-CD2 4Å; R72-Y145 HydrophobicContact CB-CG 3.91Å
73I98.5Very high97.5Very high12 Ų1246.8 Ų46.86%0.06225%0.246CC..  trans-142.1145.8-179.4-169.6171.6000110.5Y45 F50 F69 H75 I78 L110 W141Y45-I73 HydrophobicContact CD1-CD1 3.88Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.7Å; Y45-I73 HydrophobicContact CE1-CG1 3.59Å; F50-I73 HydrophobicContact CD1-CB 4.26Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.31Å; F50-I73 HydrophobicContact CE1-CB 4.03Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.78Å; F50-I73 HydrophobicContact CZ-CD1 4.15Å; F50-I73 HydrophobicContact CZ-CG1 4.43Å; F69-I73 HydrophobicContact CD1-CG2 4.23Å; F69-I73 HydrophobicContact CE1-CD1 4.24Å; F69-I73 HydrophobicContact CG-CG2 4.43Å; I73-H75 HydrophobicContact CG1-CB 4.32Å; I73-H75 HydrophobicContact CG2-CB 4.43Å; I73-I78 HydrophobicContact CD1-CD1 4.3Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.82Å; I73-I78 HydrophobicContact CG2-CG2 3.66Å; I73-L110 HydrophobicContact CD1-CD2 3.47Å; I73-L110 VanDerWaalsContact CD1-CD2 3.47Å; I73-W141 VanDerWaalsContact C-CE3 3.5Å
74Y98.4Very high97.6Very high21 Ų2141.8 Ų41.88%0.08223%0.225CC..  trans-96.792176-173.1-95.3000109.8Y45 I123 I126 Y134 M137 A138 W141Y45-Y74 PolarHBondContact OH-O 3.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.13Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.29Å; Y74-I123 HydrophobicContact CE1-CD1 4.47Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.71Å; Y74-I123 HydrophobicContact CE2-CD1 3.68Å; Y74-I123 HydrophobicContact CE2-CG1 3.71Å; Y74-I123 HydrophobicContact CG-CD1 4.17Å; Y74-I126 WeakPolarHBondContact OH-CD1 3.25Å; Y74-Y134 HydrophobicContact CD1-CD2 4.18Å; Y74-Y134 HydrophobicContact CD1-CE2 4.23Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.31Å; Y74-M137 HydrophobicContact CD1-CB 3.91Å; Y74-M137 HydrophobicContact CE1-CB 3.64Å; Y74-M137 HydrophobicContact CE1-CG 4.48Å; Y74-M137 HydrophobicContact CE2-CB 4.32Å; Y74-M137 HydrophobicContact CG-CB 4.36Å; Y74-A138 HydrophobicContact CD1-CB 4.17Å; Y74-W141 HydrophobicContact CD2-CD2 4.27Å; Y74-W141 AromaticContact CD2-CE2 3.94Å; Y74-W141 HydrophobicContact CD2-CZ2 4.25Å; Y74-W141 HydrophobicContact CG-CD2 4.46Å; Y74-W141 HydrophobicContact CG-CG 4.43Å
75H98.5Very high97.4Very high0 Ų040.5 Ų40.50%022%0.217CC..BIsolated β-bridgetrans-145140.8-172.7-170.8-81.8000111.2Y45 I73 N77 I78 L109Y45-H75 AromaticContact CZ-CD2 3.93Å; Y45-H75 PolarHBondContact OH-CD2 2.83Å; Y45-H75 VanDerWaalsContact OH-CD2 3.25Å; I73-H75 HydrophobicContact CG1-CB 4.32Å; I73-H75 HydrophobicContact CG2-CB 4.43Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.15Å; H75-N77 PolarHBondContact ND1-N 3.01Å; H75-N77 PolarHBondContact O-N 2.85Å; H75-I78 HydrophobicContact CB-CB 4.09Å; H75-I78 HydrophobicContact CB-CD1 3.96Å; H75-I78 HydrophobicContact CB-CG1 4.2Å; H75-I78 PolarHBondContact O-N 2.83Å; H75-L109 PolarHBondContact NE2-O 2.94Å
76P97.9Very high97.1Very high0 Ų041.4 Ų41.40%022%0.221CC..THydrogen-bonded Turntrans-67.3-29.7-176.726.4-35000113.8P113 L119 V120 I123 A124P76-P113 HydrophobicContact CG-CB 3.47Å; P76-P113 VanDerWaalsContact CG-CB 3.47Å; P76-P113 HydrophobicContact CG-CG 4.44Å; P76-L119 PolarHBondContact O-N 3.27Å; P76-V120 PolarHBondContact O-N 2.93Å; P76-I123 HydrophobicContact CB-CB 4.37Å; P76-I123 HydrophobicContact CB-CG2 4.09Å; P76-A124 HydrophobicContact CB-CB 3.79Å
77N98.3Very high96.9Very high1 Ų136.5 Ų36.51%0.00520%0.203CC..THydrogen-bonded Turntrans-97.39.1178.5-48.497.4000114.3H75 C85 L109 N114 D117H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.15Å; H75-N77 PolarHBondContact ND1-N 3.01Å; H75-N77 PolarHBondContact O-N 2.85Å; N77-C85 HydrophobicContact CB-CB 4.19Å; N77-C85 PolarHBondContact O-N 2.93Å; N77-L109 HydrophobicContact CB-CD1 4.31Å; N77-L109 HydrophobicContact CB-CD2 4.06Å; N77-N114 PolarHBondContact ND2-O 2.88Å; N77-N114 PolarHBondContact OD1-N 3.34Å; N77-N114 PolarHBondContact OD1-O 3.01Å; N77-D117 PolarHBondContact ND2-O 2.83Å
78I98.3Very high96.7Very high2 Ų236.9 Ų36.91%0.0120%0.204CC..BIsolated β-bridgetrans-131.9120.4178-53.6162.6000108.8F69 I73 H75 S83 I84 L110F69-I78 HydrophobicContact CB-CG2 4.41Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.96Å; F69-I78 HydrophobicContact CE1-CD1 4.38Å; F69-I78 HydrophobicContact CE2-CD1 3.38Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CG-CG2 4.3Å; F69-I78 HydrophobicContact CZ-CD1 3.68Å; I73-I78 HydrophobicContact CD1-CD1 4.3Å; I73-I78 HydrophobicContact CG2-CB 3.94Å; I73-I78 HydrophobicContact CG2-CD1 3.82Å; I73-I78 HydrophobicContact CG2-CG2 3.66Å; H75-I78 HydrophobicContact CB-CB 4.09Å; H75-I78 HydrophobicContact CB-CD1 3.96Å; H75-I78 HydrophobicContact CB-CG1 4.2Å; H75-I78 PolarHBondContact O-N 2.83Å; I78-S83 WeakPolarHBondContact CA-O 3.4Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.48Å; I78-L110 HydrophobicContact CD1-CD2 4.11Å
79N95.9Very high96.5Very high38 Ų3836.7 Ų36.720%0.20320%0.2CC..  trans-85.8175.6-1797312.4000112.4N81 G82 S83 V120N79-N81 PolarHBondContact O-N 3.21Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.12Å; N79-N81 WeakPolarHBondContact OD1-CB 3.47Å; N79-N81 PolarHBondContact OD1-N 2.89Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 3Å; N79-G82 PolarHBondContact OD1-N 3.21Å; N79-S83 PolarHBondContact N-O 2.98Å; N79-S83 VanDerWaalsContact N-O 3.15Å; N79-S83 WeakPolarHBondContact OD1-CB 3.37Å; N79-S83 PolarHBondContact OD1-N 2.88Å; N79-V120 HydrophobicContact CB-CG2 4.1Å
80S93.8Very high96.1Very high103 Ų10342.8 Ų42.872%0.7222%0.223SC*.THydrogen-bonded Turntrans-63.5-18.8-179.958.20000114.7G82S80-G82 VanDerWaalsContact C-N 3.26Å
81N95Very high95.9Very high128 Ų12844.1 Ų44.168%0.68424%0.235SC*.THydrogen-bonded Turntrans-88.83.7174.9-61-15.3000111.7N79 S83N79-N81 PolarHBondContact O-N 3.21Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.12Å; N79-N81 WeakPolarHBondContact OD1-CB 3.47Å; N79-N81 PolarHBondContact OD1-N 2.89Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.86Å
82G96.6Very high95.7Very high5 Ų549.1 Ų49.15%0.05226%0.257CS..  trans76.27.2-179.500000114.8A68 F69 N79 S80A68-G82 CarbonylContact C-O 3.56Å; A68-G82 VanDerWaalsContact CA-O 3.23Å; A68-G82 WeakPolarHBondContact CA-O 3.49Å; F69-G82 PolarHBondContact N-O 2.97Å; F69-G82 WeakPolarHBondContact O-CA 3.15Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 3Å; N79-G82 PolarHBondContact OD1-N 3.21Å; S80-G82 VanDerWaalsContact C-N 3.26Å
83S97.1Very high95.7Very high49 Ų4943.2 Ų43.234%0.34324%0.235SC..BIsolated β-bridgetrans-68.5138.4176.7-55.10000110.4I78 N79 N81 L119I78-S83 WeakPolarHBondContact CA-O 3.4Å; N79-S83 PolarHBondContact N-O 2.98Å; N79-S83 VanDerWaalsContact N-O 3.15Å; N79-S83 WeakPolarHBondContact OD1-CB 3.37Å; N79-S83 PolarHBondContact OD1-N 2.88Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.86Å; S83-L119 VanDerWaalsContact O-CD1 3.25Å; S83-L119 WeakPolarHBondContact O-CD1 3.46Å
84I97.3Very high95.6Very high10 Ų1045 Ų455%0.05125%0.249CC..BIsolated β-bridgetrans-105.7134.8-176.3-49.8171.2000109.4L52 V67 F69 I78 L86 L89 R90 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.19Å; V67-I84 HydrophobicContact CB-CD1 4.39Å; V67-I84 HydrophobicContact CG1-CD1 3.97Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.48Å; I84-L86 HydrophobicContact CG2-CB 3.93Å; I84-L89 HydrophobicContact CB-CD1 4.4Å; I84-R90 PolarHBondContact O-NH2 3.12Å; I84-I106 HydrophobicContact CD1-CD1 3.79Å; I84-I106 HydrophobicContact CD1-CG1 4.25Å; I84-L109 HydrophobicContact CG2-CD2 3.98Å
85C93.7Very high95.6Very high10 Ų1046.6 Ų46.67%0.06826%0.261CS..  trans-92.197.7164.5-138.50000108.1N77 D117 L119N77-C85 HydrophobicContact CB-CB 4.19Å; N77-C85 PolarHBondContact O-N 2.93Å; C85-D117 PolarHBondContact SG-OD2 3.5Å; C85-L119 HydrophobicContact CB-CB 4.42Å; C85-L119 HydrophobicContact CB-CD1 3.71Å; C85-L119 HydrophobicContact CB-CG 3.71Å; C85-L119 VanDerWaalsContact N-CD1 3.27Å
86L93.1Very high95.4Very high21 Ų2149.8 Ų49.811%0.1129%0.288CS..  trans-143.5124175.2-171.765.9000107.6I84 I88 L89 I106 L109I84-L86 HydrophobicContact CG2-CB 3.93Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD2-CD1 3.9Å; L86-I88 HydrophobicContact CD2-CG1 3.56Å; L86-I88 HydrophobicContact CG-CD1 4.48Å; L86-I88 HydrophobicContact CG-CG1 3.65Å; L86-I88 PolarHBondContact O-N 3.42Å; L86-L89 HydrophobicContact CB-CD1 4.22Å; L86-L89 HydrophobicContact CB-CG 4.4Å; L86-L89 HydrophobicContact CD2-CD1 4.38Å; L86-L89 HydrophobicContact CD2-CG 4.39Å; L86-L89 WeakPolarHBondContact O-CB 3.34Å; L86-L89 PolarHBondContact O-N 2.12Å; L86-I106 HydrophobicContact CD2-CG1 4.02Å; L86-L109 HydrophobicContact CD1-CD2 4.48Å
87D91.9Very high95.4Very high67 Ų6751.4 Ų51.436%0.35830%0.296SS..G310 helixtrans-60.3-37.3-173.956.4-4.5000113.3L89 R90 S91 Q92D87-L89 PolarHBondContact O-N 3.31Å; D87-R90 CarbonylContact O-C 3.59Å; D87-R90 VanDerWaalsContact O-C 3.32Å; D87-R90 WeakPolarHBondContact O-CA 3.4Å; D87-R90 PolarHBondContact O-N 2.84Å; D87-S91 PolarHBondContact O-N 3.25Å; D87-Q92 HydrophobicContact CB-CB 4.24Å; D87-Q92 HydrophobicContact CB-CG 4.06Å; D87-Q92 PolarHBondContact O-N 3.13Å; D87-Q92 PolarHBondContact OD2-NE2 2.81Å
88I94.4Very high95.3Very high21 Ų2153 Ų5311%0.10831%0.307CS..G310 helixtrans-65.7-18.7176.563.8155.9000112.8L86 R90 Q92 W93 L97 V102L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD2-CD1 3.9Å; L86-I88 HydrophobicContact CD2-CG1 3.56Å; L86-I88 HydrophobicContact CG-CD1 4.48Å; L86-I88 HydrophobicContact CG-CG1 3.65Å; L86-I88 PolarHBondContact O-N 3.42Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; I88-W93 WeakPolarHBondContact O-CA 3.44Å; I88-W93 WeakPolarHBondContact O-CB 3.39Å; I88-W93 VanDerWaalsContact O-CE3 3.3Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.11Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å
89L94.3Very high95.2Very high21 Ų2153 Ų5311%0.1131%0.306CS..G310 helixtrans-88.12.1171.6-65.3176.5000112.6P64 P65 V67 I84 L86 D87 V102P64-L89 WeakPolarHBondContact CG-O 3.42Å; P65-L89 HydrophobicContact CG-CD2 4.48Å; V67-L89 HydrophobicContact CB-CD1 4.08Å; V67-L89 HydrophobicContact CB-CD2 4.49Å; V67-L89 HydrophobicContact CG2-CD1 4.41Å; V67-L89 HydrophobicContact CG2-CD2 3.94Å; I84-L89 HydrophobicContact CB-CD1 4.4Å; L86-L89 HydrophobicContact CB-CD1 4.22Å; L86-L89 HydrophobicContact CB-CG 4.4Å; L86-L89 HydrophobicContact CD2-CD1 4.38Å; L86-L89 HydrophobicContact CD2-CG 4.39Å; L86-L89 WeakPolarHBondContact O-CB 3.34Å; L86-L89 PolarHBondContact O-N 2.12Å; D87-L89 PolarHBondContact O-N 3.31Å; L89-V102 HydrophobicContact CD2-CG1 3.79Å; L89-V102 HydrophobicContact CD2-CG2 4.31Å
90R91.3Very high95.2Very high137 Ų13752.4 Ų52.452%0.51731%0.305SS..THydrogen-bonded Turntrans-135.7-107.3-175.1-60-176.3-174.4-177.36.5111I84 D87 I88I84-R90 PolarHBondContact O-NH2 3.12Å; D87-R90 CarbonylContact O-C 3.59Å; D87-R90 VanDerWaalsContact O-C 3.32Å; D87-R90 WeakPolarHBondContact O-CA 3.4Å; D87-R90 PolarHBondContact O-N 2.84Å; I88-R90 VanDerWaalsContact C-N 3.29Å
91S92.4Very high95.3Very high110 Ų11052.6 Ų52.677%0.76929%0.293SS*.THydrogen-bonded Turntrans-75.3-25.9-171.249.40000113.6D87D87-S91 PolarHBondContact O-N 3.25Å
92Q95.4Very high95.4Very high122 Ų12246.5 Ų46.557%0.5726%0.261SS*.THydrogen-bonded Turntrans-9912.6179.5-63.3-159.446.200113.1D87 I88 S94D87-Q92 HydrophobicContact CB-CB 4.24Å; D87-Q92 HydrophobicContact CB-CG 4.06Å; D87-Q92 PolarHBondContact O-N 3.13Å; D87-Q92 PolarHBondContact OD2-NE2 2.81Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; Q92-S94 PolarHBondContact O-N 3.17Å
93W97.6Very high95.4Very high29 Ų2946.3 Ų46.311%0.1126%0.258CS..  trans-61.9131.1172.6177.1-103000110.5Y60 P61 P64 P65 I88 L97 V102Y60-W93 HydrophobicContact CD2-CZ2 4.22Å; Y60-W93 AromaticContact CE2-CH2 3.64Å; Y60-W93 HydrophobicContact CE2-CH2 3.64Å; Y60-W93 AromaticContact CE2-CZ2 3.47Å; Y60-W93 HydrophobicContact CE2-CZ2 3.47Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.47Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 2.85Å; P64-W93 HydrophobicContact CB-CB 3.93Å; P64-W93 HydrophobicContact CB-CD2 3.55Å; P64-W93 HydrophobicContact CB-CE3 3.79Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CG-CB 4.11Å; P64-W93 HydrophobicContact CG-CD2 4.5Å; P64-W93 HydrophobicContact CG-CG 4.05Å; P65-W93 HydrophobicContact CG-CH2 4.47Å; P65-W93 HydrophobicContact CG-CZ3 4.45Å; I88-W93 WeakPolarHBondContact O-CA 3.44Å; I88-W93 WeakPolarHBondContact O-CB 3.39Å; I88-W93 VanDerWaalsContact O-CE3 3.3Å; W93-L97 HydrophobicContact CE3-CB 4.11Å; W93-L97 HydrophobicContact CE3-CD1 3.9Å; W93-L97 HydrophobicContact CH2-CB 4.06Å; W93-L97 HydrophobicContact CZ3-CB 3.71Å; W93-L97 HydrophobicContact CZ3-CD1 4.26Å; W93-V102 HydrophobicContact CZ3-CG2 3.95Å
94S97.2Very high95.3Very high51 Ų5147.9 Ų47.936%0.35726%0.262SS..  trans-126139.9172171.40000109.3Q92 A96 L97Q92-S94 PolarHBondContact O-N 3.17Å; S94-A96 PolarHBondContact O-N 2.78Å; S94-A96 PolarHBondContact OG-N 3.32Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.39Å
95P96.7Very high95.2Very high53 Ų5349.4 Ų49.434%0.34427%0.274SS..THydrogen-bonded Turntrans-55.8-14.9173-27.135.7000114.9R5 P61 F62R5-P95 PolarHBondContact NH1-O 2.94Å; R5-P95 PolarHBondContact NH2-O 3.09Å; P61-P95 HydrophobicContact CB-CB 4.29Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å; F62-P95 HydrophobicContact CD1-CG 4.18Å
96A96.3Very high95.3Very high68 Ų6849 Ų4956%0.56227%0.271SS*.THydrogen-bonded Turntrans-81-13174.300000114.1S94S94-A96 PolarHBondContact O-N 2.78Å; S94-A96 PolarHBondContact OG-N 3.32Å
97L97.1Very high95.4Very high33 Ų3348.5 Ų48.517%0.17327%0.269CS..  trans-75.3150.3172.6-64.6176.5000110.5R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 3.11Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.11Å; W93-L97 HydrophobicContact CE3-CB 4.11Å; W93-L97 HydrophobicContact CE3-CD1 3.9Å; W93-L97 HydrophobicContact CH2-CB 4.06Å; W93-L97 HydrophobicContact CZ3-CB 3.71Å; W93-L97 HydrophobicContact CZ3-CD1 4.26Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.39Å; L97-K101 HydrophobicContact CD2-CD 4.09Å
98T96.4Very high95.6Very high36 Ų3648.9 Ų48.922%0.22128%0.277CS..  trans-125.5163.8179.761.40000109.8E9 S100 K101 V102E9-T98 HydrophobicContact CG-CG2 4.29Å; E9-T98 WeakPolarHBondContact OE2-CA 3.36Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.4Å; T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 3.46Å; T98-K101 WeakPolarHBondContact O-CB 3.46Å; T98-K101 PolarHBondContact O-N 3.06Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-K101 PolarHBondContact OG1-N 3.47Å; T98-V102 WeakPolarHBondContact O-CG2 3.49Å; T98-V102 PolarHBondContact O-N 3.1Å
99I96.6Very high95.6Very high0 Ų048.5 Ų48.50%028%0.276CS..Hα-helixtrans-58.1-39.7174.2-65.1-55.7000111.6E9 L13 A23 W33 I54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 2.89Å; L13-I99 HydrophobicContact CD1-CB 4.34Å; L13-I99 HydrophobicContact CD1-CG2 4.16Å; A23-I99 HydrophobicContact CB-CG2 4.45Å; W33-I99 HydrophobicContact CE3-CG2 4.33Å; W33-I99 HydrophobicContact CZ3-CB 4.37Å; W33-I99 HydrophobicContact CZ3-CG1 4.33Å; W33-I99 HydrophobicContact CZ3-CG2 4.13Å; I54-I99 HydrophobicContact CD1-CG2 3.98Å; I54-I99 HydrophobicContact CG2-CD1 3.99Å; F56-I99 HydrophobicContact CE1-CD1 3.58Å; F56-I99 HydrophobicContact CE1-CG1 3.55Å; F56-I99 HydrophobicContact CZ-CD1 3.78Å; F56-I99 HydrophobicContact CZ-CG1 3.53Å; P65-I99 HydrophobicContact CB-CD1 4.17Å; P65-I99 HydrophobicContact CG-CD1 3.69Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 2.84Å; I99-V102 PolarHBondContact O-N 3.34Å; I99-V102 VanDerWaalsContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.92Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 3.06Å
100S95.1Very high95.7Very high27 Ų2747.6 Ų47.619%0.18927%0.271CS..Hα-helixtrans-55.2-48174-1790000111.4T98 V102 L103 L104T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 3.46Å; S100-V102 PolarHBondContact O-N 3.04Å; S100-L103 PolarHBondContact O-N 2.92Å; S100-L104 VanDerWaalsContact O-CG 3.3Å; S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.39Å
101K95.3Very high95.9Very high107 Ų10744.7 Ų44.747%0.46527%0.271SS..Hα-helixtrans-64-40.8176.6-70.5178.5173.4-1790112.5L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CD 4.09Å; T98-K101 WeakPolarHBondContact O-CB 3.46Å; T98-K101 PolarHBondContact O-N 3.06Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-K101 PolarHBondContact OG1-N 3.47Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 2.84Å; K101-L104 PolarHBondContact O-N 3.42Å; K101-S105 PolarHBondContact O-N 2.98Å; K101-S105 PolarHBondContact O-OG 2.95Å; K101-S105 VanDerWaalsContact O-OG 3.1Å
102V96.8Very high96Very high0 Ų044.9 Ų44.90%026%0.263CS..Hα-helixtrans-60.4-47.2176.3169.80000111V67 I88 L89 W93 T98 I99 S100 S105 I106V67-V102 HydrophobicContact CG2-CG1 4.17Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å; L89-V102 HydrophobicContact CD2-CG1 3.79Å; L89-V102 HydrophobicContact CD2-CG2 4.31Å; W93-V102 HydrophobicContact CZ3-CG2 3.95Å; T98-V102 WeakPolarHBondContact O-CG2 3.49Å; T98-V102 PolarHBondContact O-N 3.1Å; I99-V102 PolarHBondContact O-N 3.34Å; I99-V102 VanDerWaalsContact O-N 3.16Å; S100-V102 PolarHBondContact O-N 3.04Å; V102-S105 PolarHBondContact O-N 3.39Å; V102-I106 HydrophobicContact CG1-CD1 3.99Å; V102-I106 WeakPolarHBondContact O-CG1 3.44Å; V102-I106 PolarHBondContact O-N 2.74Å
103L96.7Very high96Very high0 Ų039.3 Ų39.30%024%0.238CC..Hα-helixtrans-62.9-45178.1-67.6173.7000110.9C21 A23 A35 I37 I54 I99 S100 S105 I106 C107C21-L103 HydrophobicContact CB-CB 4.17Å; A23-L103 HydrophobicContact CB-CD1 3.82Å; A35-L103 HydrophobicContact CB-CD1 4.36Å; A35-L103 HydrophobicContact CB-CD2 3.77Å; I37-L103 HydrophobicContact CD1-CD2 4.29Å; I54-L103 HydrophobicContact CD1-CD2 4.43Å; I99-L103 HydrophobicContact CG2-CD1 3.92Å; I99-L103 HydrophobicContact CG2-CG 4.15Å; I99-L103 WeakPolarHBondContact O-CG 3.37Å; I99-L103 PolarHBondContact O-N 3.06Å; S100-L103 PolarHBondContact O-N 2.92Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.83Å; L103-I106 CarbonylContact O-C 3.59Å; L103-I106 PolarHBondContact O-N 2.88Å; L103-I106 VanDerWaalsContact O-N 3.11Å; L103-C107 WeakPolarHBondContact O-CB 3.44Å; L103-C107 PolarHBondContact O-N 3.34Å; L103-C107 PolarHBondContact O-SG 3.38Å
104L94.8Very high95.8Very high82 Ų8241.2 Ų41.243%0.42925%0.25SC..Hα-helixtrans-59.4-40.7175.3-71.5172.2000112.3P18 S100 K101 I106 C107 S108P18-L104 HydrophobicContact CB-CD2 3.73Å; P18-L104 HydrophobicContact CB-CG 4.05Å; S100-L104 VanDerWaalsContact O-CG 3.3Å; S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.39Å; K101-L104 PolarHBondContact O-N 3.42Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.21Å; L104-C107 PolarHBondContact O-N 2.86Å; L104-S108 WeakPolarHBondContact O-CB 3.06Å; L104-S108 PolarHBondContact O-N 2.85Å
105S95.9Very high95.7Very high43 Ų4339.8 Ų39.830%0.30124%0.239SC..Hα-helixtrans-65.1-36.3174.9-650000112.5K101 V102 L103 S108 L109K101-S105 PolarHBondContact O-N 2.98Å; K101-S105 PolarHBondContact O-OG 2.95Å; K101-S105 VanDerWaalsContact O-OG 3.1Å; V102-S105 PolarHBondContact O-N 3.39Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.83Å; S105-S108 PolarHBondContact O-N 2.92Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 PolarHBondContact O-N 3.36Å
106I96.6Very high95.5Very high0 Ų043.6 Ų43.60%026%0.257CS..Hα-helixtrans-69.1-44.3173.1-64.2163.5000110.4I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 4.02Å; I37-I106 HydrophobicContact CD1-CG2 3.55Å; L52-I106 HydrophobicContact CD2-CD1 4.08Å; L52-I106 HydrophobicContact CD2-CG2 4.43Å; V67-I106 HydrophobicContact CG1-CD1 3.92Å; F69-I106 HydrophobicContact CE2-CG2 3.84Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; I84-I106 HydrophobicContact CD1-CD1 3.79Å; I84-I106 HydrophobicContact CD1-CG1 4.25Å; L86-I106 HydrophobicContact CD2-CG1 4.02Å; V102-I106 HydrophobicContact CG1-CD1 3.99Å; V102-I106 WeakPolarHBondContact O-CG1 3.44Å; V102-I106 PolarHBondContact O-N 2.74Å; L103-I106 CarbonylContact O-C 3.59Å; L103-I106 PolarHBondContact O-N 2.88Å; L103-I106 VanDerWaalsContact O-N 3.11Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.21Å; I106-S108 PolarHBondContact O-N 3.45Å; I106-L109 WeakPolarHBondContact O-CB 3.45Å; I106-L109 PolarHBondContact O-N 3.02Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.32Å
107C95.3Very high95.3Very high11 Ų1144.4 Ų44.47%0.07425%0.252CS..Hα-helixtrans-58.5-38.9176.3-58.80000109.3C21 I37 L103 L104 L110C21-C107 WeakPolarHBondContact CB-SG 3.31Å; C21-C107 WeakPolarHBondContact SG-CB 3.44Å; C21-C107 CovalentContact SG-SG 2.12Å; C21-C107 PolarHBondContact SG-SG 3.19Å; I37-C107 WeakPolarHBondContact CG2-SG 3.37Å; L103-C107 WeakPolarHBondContact O-CB 3.44Å; L103-C107 PolarHBondContact O-N 3.34Å; L103-C107 PolarHBondContact O-SG 3.38Å; L104-C107 PolarHBondContact O-N 2.86Å; C107-L110 PolarHBondContact O-N 2.68Å
108S94.8Very high95.1Very high75 Ų7544.9 Ų44.952%0.52426%0.257SS..Hα-helixtrans-66.8-40.1171.5-1710000113.8L104 S105 I106 L110 C111 D112L104-S108 WeakPolarHBondContact O-CB 3.06Å; L104-S108 PolarHBondContact O-N 2.85Å; S105-S108 PolarHBondContact O-N 2.92Å; I106-S108 PolarHBondContact O-N 3.45Å; S108-L110 VanDerWaalsContact C-N 3.25Å; S108-L110 PolarHBondContact O-N 3.36Å; S108-C111 WeakPolarHBondContact O-CB 3.45Å; S108-C111 PolarHBondContact O-N 2.95Å; S108-C111 VanDerWaalsContact O-N 3.1Å; S108-D112 PolarHBondContact O-N 3.38Å
109L95.9Very high95Very high14 Ų1445.6 Ų45.67%0.07326%0.259CS..Hα-helixtrans-62.7-33.8178-176.666.4000111.7H75 N77 I84 L86 S105 I106 C111 D112 P113H75-L109 PolarHBondContact NE2-O 2.94Å; N77-L109 HydrophobicContact CB-CD1 4.31Å; N77-L109 HydrophobicContact CB-CD2 4.06Å; I84-L109 HydrophobicContact CG2-CD2 3.98Å; L86-L109 HydrophobicContact CD1-CD2 4.48Å; S105-L109 WeakPolarHBondContact O-CB 3.22Å; S105-L109 PolarHBondContact O-N 3.36Å; I106-L109 WeakPolarHBondContact O-CB 3.45Å; I106-L109 PolarHBondContact O-N 3.02Å; L109-C111 VanDerWaalsContact C-N 3.31Å; L109-D112 CarbonylContact O-C 3.49Å; L109-D112 VanDerWaalsContact O-C 3.26Å; L109-P113 WeakPolarHBondContact O-CA 3.37Å
110L96.4Very high95Very high2 Ų247.4 Ų47.41%0.0127%0.27CS..Hα-helixtrans-66.9-31.9174.1-64.8-175.3000112.7I37 P40 Y45 F69 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 3.96Å; P40-L110 HydrophobicContact CG-CB 4.16Å; Y45-L110 HydrophobicContact CD2-CB 4.02Å; Y45-L110 HydrophobicContact CD2-CD2 4.43Å; Y45-L110 HydrophobicContact CE2-CB 4.26Å; Y45-L110 HydrophobicContact CE2-CD2 4.28Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.37Å; F69-L110 HydrophobicContact CZ-CD2 4.42Å; I73-L110 HydrophobicContact CD1-CD2 3.47Å; I73-L110 VanDerWaalsContact CD1-CD2 3.47Å; I78-L110 HydrophobicContact CD1-CD2 4.11Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.32Å; C107-L110 PolarHBondContact O-N 2.68Å; S108-L110 VanDerWaalsContact C-N 3.25Å; S108-L110 PolarHBondContact O-N 3.36Å
111C94.5Very high95.1Very high76 Ų7650.6 Ų50.651%0.51429%0.29SS..Hα-helixtrans-76.1-43175.3-64.40000111.7P40 S108 L109P40-C111 WeakPolarHBondContact CB-SG 3.37Å; P40-C111 VanDerWaalsContact CG-SG 3.57Å; S108-C111 WeakPolarHBondContact O-CB 3.45Å; S108-C111 PolarHBondContact O-N 2.95Å; S108-C111 VanDerWaalsContact O-N 3.1Å; L109-C111 VanDerWaalsContact C-N 3.31Å
112D94.6Very high95.2Very high114 Ų11450.1 Ų50.161%0.6129%0.289SS*.SBendtrans-129.386.9-176.9-167.220.1000110.9S108 L109S108-D112 PolarHBondContact O-N 3.38Å; L109-D112 CarbonylContact O-C 3.49Å; L109-D112 VanDerWaalsContact O-C 3.26Å
113P95.5Very high95.3Very high5 Ų551 Ų513%0.03229%0.294CS..  trans-62.5148.3177.3-19.429.7000111.9P76 L109 P115 Y127 Y134P76-P113 HydrophobicContact CG-CB 3.47Å; P76-P113 VanDerWaalsContact CG-CB 3.47Å; P76-P113 HydrophobicContact CG-CG 4.44Å; L109-P113 WeakPolarHBondContact O-CA 3.37Å; P113-P115 WeakPolarHBondContact O-CD 3.44Å; P113-Y127 HydrophobicContact CG-CE2 4Å; P113-Y134 WeakPolarHBondContact CG-OH 3.38Å
114N94.3Very high95.3Very high69 Ų6951.1 Ų51.137%0.36930%0.295SS..  trans-10095.6176.6-179.1-6.3000111.3N77 D116 D117N77-N114 PolarHBondContact ND2-O 2.88Å; N77-N114 PolarHBondContact OD1-N 3.34Å; N77-N114 PolarHBondContact OD1-O 3.01Å; N114-D116 PolarHBondContact O-N 3.38Å; N114-D116 PolarHBondContact OD1-N 3.16Å; N114-D117 PolarHBondContact OD1-N 2.85Å
115P93.7Very high95.4Very high21 Ų2152.9 Ų52.914%0.13630%0.296CS..THydrogen-bonded Turntrans-78.5-1.9-178.935.6-41.2000114.5P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-A124 HydrophobicContact CB-CB 4.25Å; P115-Y127 HydrophobicContact CB-CD1 3.84Å; P115-Y127 HydrophobicContact CB-CE1 4.39Å; P115-Y127 HydrophobicContact CG-CD1 3.89Å; P115-Y127 HydrophobicContact CG-CE1 3.96Å; P115-K128 HydrophobicContact CB-CD 3.85Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.83Å; P115-K128 HydrophobicContact CG-CD 4.27Å; P115-K128 HydrophobicContact CG-CG 4.08Å; P115-K128 PolarHBondContact O-NZ 3.47Å
116D92.8Very high95.5Very high132 Ų13251.3 Ų51.371%0.70628%0.284SS*.THydrogen-bonded Turntrans-89.8-23.2178-63.8-37.1000112.7N114 P118 K128N114-D116 PolarHBondContact O-N 3.38Å; N114-D116 PolarHBondContact OD1-N 3.16Å; D116-P118 WeakPolarHBondContact O-CD 3.34Å; D116-K128 IonicContact OD1-NZ 3.44Å; D116-K128 PolarHBondContact OD1-NZ 3Å
117D91.5Very high95.6Very high86 Ų8654.3 Ų54.346%0.4630%0.296SS..SBendtrans-121.564.9169.5-173.836.2000112.1N77 C85 N114N77-D117 PolarHBondContact ND2-O 2.83Å; C85-D117 PolarHBondContact SG-OD2 3.5Å; N114-D117 PolarHBondContact OD1-N 2.85Å
118P93.8Very high95.6Very high42 Ų4259.3 Ų59.327%0.27332%0.316SS..  trans-81.5139-173.534.7-36.5000112.5D116 A124D116-P118 WeakPolarHBondContact O-CD 3.34Å; P118-A124 HydrophobicContact CB-CB 3.39Å; P118-A124 HydrophobicContact CG-CB 3.95Å
119L94.8Very high95.7Very high52 Ų5260.4 Ų60.427%0.27232%0.32SS..SBendtrans-81.2-25.5164.3-99.8174.3000112.1P76 S83 C85P76-L119 PolarHBondContact O-N 3.27Å; S83-L119 VanDerWaalsContact O-CD1 3.25Å; S83-L119 WeakPolarHBondContact O-CD1 3.46Å; C85-L119 HydrophobicContact CB-CB 4.42Å; C85-L119 HydrophobicContact CB-CD1 3.71Å; C85-L119 HydrophobicContact CB-CG 3.71Å; C85-L119 VanDerWaalsContact N-CD1 3.27Å
120V97Very high95.8Very high38 Ų3863 Ų6323%0.2333%0.334CS..SBendtrans-124.790178.5-1680000108.7P76 N79 E122 I123 A124P76-V120 PolarHBondContact O-N 2.93Å; N79-V120 HydrophobicContact CB-CG2 4.1Å; V120-E122 PolarHBondContact O-N 3.1Å; V120-E122 VanDerWaalsContact O-N 3.14Å; V120-I123 HydrophobicContact CB-CB 4.26Å; V120-I123 HydrophobicContact CB-CD1 4.04Å; V120-I123 HydrophobicContact CB-CG1 4.14Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.73Å; V120-I123 HydrophobicContact CG1-CG1 3.64Å; V120-I123 HydrophobicContact CG2-CD1 4.42Å; V120-I123 PolarHBondContact O-N 3.37Å; V120-I123 VanDerWaalsContact O-N 3.11Å; V120-A124 PolarHBondContact O-N 2.95Å; V120-A124 VanDerWaalsContact O-N 3.13Å
121P97Very high95.7Very high94 Ų9466 Ų6661%0.6136%0.355SS*.Hα-helixtrans-55.5-34.9-173.9-28.935.8000114A124 R125P121-A124 PolarHBondContact O-N 3.18Å; P121-R125 WeakPolarHBondContact O-CB 3.47Å; P121-R125 PolarHBondContact O-N 2.9Å
122E97.1Very high95.8Very high97 Ų9769.2 Ų69.245%0.45336%0.363SS..Hα-helixtrans-68-41179.918057.9-170.500112.5V120 A124 R125 I126V120-E122 PolarHBondContact O-N 3.1Å; V120-E122 VanDerWaalsContact O-N 3.14Å; E122-A124 VanDerWaalsContact C-N 3.32Å; E122-R125 PolarHBondContact O-N 3.1Å; E122-R125 IonicContact OE1-CZ 2.88Å; E122-R125 IonicContact OE1-NE 2.69Å; E122-R125 IonicContact OE1-NH2 3.6Å; E122-R125 PolarHBondContact OE1-NH2 3.34Å; E122-R125 IonicContact OE2-CZ 3.17Å; E122-R125 IonicContact OE2-NE 2.69Å; E122-R125 PolarHBondContact OE2-NE 3.22Å; E122-R125 IonicContact OE2-NH2 2.79Å; E122-R125 PolarHBondContact OE2-NH2 3.05Å; E122-I126 HydrophobicContact CG-CD1 4.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.45Å; E122-I126 PolarHBondContact O-N 3.21Å
123I97.8Very high96Very high17 Ų1768.6 Ų68.69%0.08735%0.354CS..Hα-helixtrans-66.5-39.9175.7-60.3179.4000109.7Y74 P76 V120 R125 I126 Y127 Y134Y74-I123 HydrophobicContact CD1-CG2 4.13Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.29Å; Y74-I123 HydrophobicContact CE1-CD1 4.47Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.71Å; Y74-I123 HydrophobicContact CE2-CD1 3.68Å; Y74-I123 HydrophobicContact CE2-CG1 3.71Å; Y74-I123 HydrophobicContact CG-CD1 4.17Å; P76-I123 HydrophobicContact CB-CB 4.37Å; P76-I123 HydrophobicContact CB-CG2 4.09Å; V120-I123 HydrophobicContact CB-CB 4.26Å; V120-I123 HydrophobicContact CB-CD1 4.04Å; V120-I123 HydrophobicContact CB-CG1 4.14Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.73Å; V120-I123 HydrophobicContact CG1-CG1 3.64Å; V120-I123 HydrophobicContact CG2-CD1 4.42Å; V120-I123 PolarHBondContact O-N 3.37Å; V120-I123 VanDerWaalsContact O-N 3.11Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.88Å; I123-I126 PolarHBondContact O-N 3.12Å; I123-Y127 WeakPolarHBondContact O-CB 3.5Å; I123-Y127 PolarHBondContact O-N 2.97Å; I123-Y134 HydrophobicContact CG2-CD2 4.1Å; I123-Y134 HydrophobicContact CG2-CE2 4.02Å
124A97.4Very high96.1Very high3 Ų368.7 Ų68.73%0.02535%0.354CS..Hα-helixtrans-64.5-38.9177.400000112.6P76 P115 P118 V120 P121 E122 Y127 K128P76-A124 HydrophobicContact CB-CB 3.79Å; P115-A124 HydrophobicContact CB-CB 4.25Å; P118-A124 HydrophobicContact CB-CB 3.39Å; P118-A124 HydrophobicContact CG-CB 3.95Å; V120-A124 PolarHBondContact O-N 2.95Å; V120-A124 VanDerWaalsContact O-N 3.13Å; P121-A124 PolarHBondContact O-N 3.18Å; E122-A124 VanDerWaalsContact C-N 3.32Å; A124-Y127 PolarHBondContact O-N 3.38Å; A124-K128 WeakPolarHBondContact O-CB 3.47Å; A124-K128 PolarHBondContact O-N 3.27Å
125R97.7Very high96.3Very high120 Ų12068.2 Ų68.245%0.45335%0.351SS..Hα-helixtrans-60.6-49.7172.7-170.6-170.967.975.7-1.2110.6P121 E122 I123 Y127 K128 T129P121-R125 WeakPolarHBondContact O-CB 3.47Å; P121-R125 PolarHBondContact O-N 2.9Å; E122-R125 PolarHBondContact O-N 3.1Å; E122-R125 IonicContact OE1-CZ 2.88Å; E122-R125 IonicContact OE1-NE 2.69Å; E122-R125 IonicContact OE1-NH2 3.6Å; E122-R125 PolarHBondContact OE1-NH2 3.34Å; E122-R125 IonicContact OE2-CZ 3.17Å; E122-R125 IonicContact OE2-NE 2.69Å; E122-R125 PolarHBondContact OE2-NE 3.22Å; E122-R125 IonicContact OE2-NH2 2.79Å; E122-R125 PolarHBondContact OE2-NH2 3.05Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.88Å; R125-Y127 VanDerWaalsContact C-N 3.34Å; R125-Y127 PolarHBondContact O-N 2.9Å; R125-K128 PolarHBondContact O-N 3.46Å; R125-T129 HydrophobicContact CG-CG2 4.43Å; R125-T129 WeakPolarHBondContact O-CG2 3.47Å; R125-T129 PolarHBondContact O-N 2.99Å; R125-T129 PolarHBondContact O-OG1 2.94Å
126I97.8Very high96.5Very high10 Ų1073.6 Ų73.65%0.05137%0.372CS..Hα-helixtrans-60.6-44177.5-65.7165.8000110.7Y74 E122 I123 K128 T129 D130 K133Y74-I126 WeakPolarHBondContact OH-CD1 3.25Å; E122-I126 HydrophobicContact CG-CD1 4.3Å; E122-I126 WeakPolarHBondContact O-CG1 3.45Å; E122-I126 PolarHBondContact O-N 3.21Å; I123-I126 PolarHBondContact O-N 3.12Å; I126-K128 VanDerWaalsContact C-N 3.3Å; I126-K128 PolarHBondContact O-N 3.24Å; I126-T129 PolarHBondContact O-N 3.38Å; I126-D130 CarbonylContact O-C 3.6Å; I126-D130 WeakPolarHBondContact O-CA 3.42Å; I126-D130 PolarHBondContact O-N 2.84Å; I126-D130 VanDerWaalsContact O-O 3.05Å; I126-K133 HydrophobicContact CG2-CB 4.19Å; I126-K133 HydrophobicContact CG2-CD 4.2Å; I126-K133 HydrophobicContact CG2-CG 4.12Å
127Y97.2Very high96.8Very high62 Ų6269.9 Ų69.924%0.24335%0.351CS..Hα-helixtrans-56-43.9175.9-179.3-104000112.2P113 P115 I123 A124 R125 Y134P113-Y127 HydrophobicContact CG-CE2 4Å; P115-Y127 HydrophobicContact CB-CD1 3.84Å; P115-Y127 HydrophobicContact CB-CE1 4.39Å; P115-Y127 HydrophobicContact CG-CD1 3.89Å; P115-Y127 HydrophobicContact CG-CE1 3.96Å; I123-Y127 WeakPolarHBondContact O-CB 3.5Å; I123-Y127 PolarHBondContact O-N 2.97Å; A124-Y127 PolarHBondContact O-N 3.38Å; R125-Y127 VanDerWaalsContact C-N 3.34Å; R125-Y127 PolarHBondContact O-N 2.9Å; Y127-Y134 AromaticContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD2 4.06Å; Y127-Y134 AromaticContact CD2-CE1 3.59Å; Y127-Y134 HydrophobicContact CD2-CE1 3.59Å; Y127-Y134 HydrophobicContact CD2-CE2 4.11Å; Y127-Y134 AromaticContact CD2-CG 3.79Å; Y127-Y134 HydrophobicContact CD2-CG 3.79Å; Y127-Y134 AromaticContact CD2-CZ 3.86Å; Y127-Y134 HydrophobicContact CE2-CD1 4.09Å; Y127-Y134 AromaticContact CE2-CE1 3.84Å; Y127-Y134 HydrophobicContact CE2-CE1 3.84Å
128K96.7Very high97.1Very high117 Ų11765.8 Ų65.851%0.50933%0.329SS..Hα-helixtrans-72.4-37.4179.1-78.9173.3157.6160.30113.8P115 D116 A124 R125 I126P115-K128 HydrophobicContact CB-CD 3.85Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.83Å; P115-K128 HydrophobicContact CG-CD 4.27Å; P115-K128 HydrophobicContact CG-CG 4.08Å; P115-K128 PolarHBondContact O-NZ 3.47Å; D116-K128 IonicContact OD1-NZ 3.44Å; D116-K128 PolarHBondContact OD1-NZ 3Å; A124-K128 WeakPolarHBondContact O-CB 3.47Å; A124-K128 PolarHBondContact O-N 3.27Å; R125-K128 PolarHBondContact O-N 3.46Å; I126-K128 VanDerWaalsContact C-N 3.3Å; I126-K128 PolarHBondContact O-N 3.24Å
129T97.4Very high97.4Very high97 Ų9769 Ų6960%0.59534%0.339SS*.Hα-helixtrans-99.9-26.1-171.162.30000114.5R125 I126R125-T129 HydrophobicContact CG-CG2 4.43Å; R125-T129 WeakPolarHBondContact O-CG2 3.47Å; R125-T129 PolarHBondContact O-N 2.99Å; R125-T129 PolarHBondContact O-OG1 2.94Å; I126-T129 PolarHBondContact O-N 3.38Å
130D97.1Very high97.5Very high69 Ų6970.5 Ų70.537%0.36935%0.345SS..  trans-151.178.6-173.1-172.2-12.8000110.5I126 Q132 K133 Y134I126-D130 CarbonylContact O-C 3.6Å; I126-D130 WeakPolarHBondContact O-CA 3.42Å; I126-D130 PolarHBondContact O-N 2.84Å; I126-D130 VanDerWaalsContact O-O 3.05Å; D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.47Å; D130-K133 HydrophobicContact CB-CB 4.08Å; D130-K133 PolarHBondContact O-N 3.33Å; D130-K133 WeakPolarHBondContact OD1-CB 3.41Å; D130-K133 PolarHBondContact OD1-N 2.9Å; D130-K133 WeakPolarHBondContact OD2-CB 3.47Å; D130-Y134 PolarHBondContact O-N 2.87Å
131S94.3Very high97.6Very high66 Ų6672.2 Ų72.246%0.46235%0.347SS..Hα-helixtrans-62-33.4-178.461.10000112.7Y134 I135S131-Y134 PolarHBondContact O-N 3.18Å; S131-I135 WeakPolarHBondContact O-CB 3.44Å; S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.35Å; S131-I135 PolarHBondContact O-N 3Å
132Q97.6Very high97.7Very high143 Ų14367.9 Ų67.967%0.66832%0.319SS*.Hα-helixtrans-64.1-46.3177.1-72.9-71.1-3000111.1D130 I135 K136D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.47Å; Q132-I135 PolarHBondContact O-N 3.36Å; Q132-K136 WeakPolarHBondContact O-CB 3.32Å; Q132-K136 PolarHBondContact O-N 2.88Å
133K98Very high97.7Very high101 Ų10169.5 Ų69.544%0.43933%0.326SS..Hα-helixtrans-63.5-42.1174.8-176.5177.3-177.5179.90111.8I126 D130 K136 M137I126-K133 HydrophobicContact CG2-CB 4.19Å; I126-K133 HydrophobicContact CG2-CD 4.2Å; I126-K133 HydrophobicContact CG2-CG 4.12Å; D130-K133 HydrophobicContact CB-CB 4.08Å; D130-K133 PolarHBondContact O-N 3.33Å; D130-K133 WeakPolarHBondContact OD1-CB 3.41Å; D130-K133 PolarHBondContact OD1-N 2.9Å; D130-K133 WeakPolarHBondContact OD2-CB 3.47Å; K133-K136 PolarHBondContact O-N 3.24Å; K133-M137 HydrophobicContact CG-CG 4.34Å; K133-M137 WeakPolarHBondContact O-CB 3.29Å; K133-M137 VanDerWaalsContact O-CG 3.25Å; K133-M137 WeakPolarHBondContact O-CG 3.19Å; K133-M137 PolarHBondContact O-N 3.5Å
134Y98.3Very high97.8Very high7 Ų775.7 Ų75.73%0.02735%0.353CS..Hα-helixtrans-56.4-52.3174.3168.1-98.3000111.5P44 Y45 Y74 P113 I123 Y127 D130 S131 K136 M137 A138P44-Y134 HydrophobicContact CG-CE1 4.2Å; Y45-Y134 PolarHBondContact OH-OH 3.4Å; Y74-Y134 HydrophobicContact CD1-CD2 4.18Å; Y74-Y134 HydrophobicContact CD1-CE2 4.23Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.31Å; P113-Y134 WeakPolarHBondContact CG-OH 3.38Å; I123-Y134 HydrophobicContact CG2-CD2 4.1Å; I123-Y134 HydrophobicContact CG2-CE2 4.02Å; Y127-Y134 AromaticContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD2 4.06Å; Y127-Y134 AromaticContact CD2-CE1 3.59Å; Y127-Y134 HydrophobicContact CD2-CE1 3.59Å; Y127-Y134 HydrophobicContact CD2-CE2 4.11Å; Y127-Y134 AromaticContact CD2-CG 3.79Å; Y127-Y134 HydrophobicContact CD2-CG 3.79Å; Y127-Y134 AromaticContact CD2-CZ 3.86Å; Y127-Y134 HydrophobicContact CE2-CD1 4.09Å; Y127-Y134 AromaticContact CE2-CE1 3.84Å; Y127-Y134 HydrophobicContact CE2-CE1 3.84Å; D130-Y134 PolarHBondContact O-N 2.87Å; S131-Y134 PolarHBondContact O-N 3.18Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.26Å; Y134-M137 PolarHBondContact O-N 3.46Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 2.99Å
135I97.9Very high97.8Very high59 Ų5979 Ų7930%0.30337%0.365SS..Hα-helixtrans-58.3-44.9-179.7-71.2166.2000110.5P44 S131 Q132 A138 K139P44-I135 HydrophobicContact CB-CG2 4.34Å; S131-I135 WeakPolarHBondContact O-CB 3.44Å; S131-I135 VanDerWaalsContact O-CG1 3.25Å; S131-I135 WeakPolarHBondContact O-CG1 3.35Å; S131-I135 PolarHBondContact O-N 3Å; Q132-I135 PolarHBondContact O-N 3.36Å; I135-A138 PolarHBondContact O-N 2.69Å; I135-K139 HydrophobicContact CG2-CD 4.05Å; I135-K139 WeakPolarHBondContact O-CB 3.17Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.46Å; I135-K139 PolarHBondContact O-N 2.79Å
136K98.4Very high97.8Very high133 Ų13373.6 Ų73.658%0.57835%0.346SS*.Hα-helixtrans-59.8-51.2178.1-177.4-179.8173.7-178.30111.6Q132 K133 Y134 A138 K139 E140Q132-K136 WeakPolarHBondContact O-CB 3.32Å; Q132-K136 PolarHBondContact O-N 2.88Å; K133-K136 PolarHBondContact O-N 3.24Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.26Å; K136-A138 PolarHBondContact O-N 2.64Å; K136-K139 PolarHBondContact O-N 2.74Å; K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.09Å
137M98.3Very high97.5Very high55 Ų5580.6 Ų80.627%0.27138%0.381SS..Hα-helixtrans-63.1-42.1-179.6-67.7-62-58.300112.1Y74 K133 Y134 E140 W141Y74-M137 HydrophobicContact CD1-CB 3.91Å; Y74-M137 HydrophobicContact CE1-CB 3.64Å; Y74-M137 HydrophobicContact CE1-CG 4.48Å; Y74-M137 HydrophobicContact CE2-CB 4.32Å; Y74-M137 HydrophobicContact CG-CB 4.36Å; K133-M137 HydrophobicContact CG-CG 4.34Å; K133-M137 WeakPolarHBondContact O-CB 3.29Å; K133-M137 VanDerWaalsContact O-CG 3.25Å; K133-M137 WeakPolarHBondContact O-CG 3.19Å; K133-M137 PolarHBondContact O-N 3.5Å; Y134-M137 PolarHBondContact O-N 3.46Å; M137-E140 PolarHBondContact O-N 2.72Å; M137-W141 VanDerWaalsContact O-CD1 3.27Å; M137-W141 PolarHBondContact O-N 2.89Å
138A98.4Very high97.5Very high0 Ų081.5 Ų81.50%039%0.387CS..Hα-helixtrans-64.7-38.9177.700000112.2P44 Y45 Y74 Y134 I135 K136 W141 T142P44-A138 HydrophobicContact CB-CB 3.56Å; P44-A138 HydrophobicContact CG-CB 3.68Å; Y45-A138 HydrophobicContact CE1-CB 4Å; Y74-A138 HydrophobicContact CD1-CB 4.17Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 2.99Å; I135-A138 PolarHBondContact O-N 2.69Å; K136-A138 PolarHBondContact O-N 2.64Å; A138-W141 PolarHBondContact O-N 3.5Å; A138-T142 WeakPolarHBondContact O-CB 3.42Å; A138-T142 PolarHBondContact O-N 2.82Å; A138-T142 PolarHBondContact O-OG1 2.69Å
139K98.4Very high97.6Very high109 Ų10979.6 Ų79.647%0.47438%0.381SS..Hα-helixtrans-64-45.9172.7-75.8178.2177.5-176.70112.2P44 I135 K136 W141 T142 Q143P44-K139 HydrophobicContact CB-CG 3.87Å; P44-K139 WeakPolarHBondContact O-CA 3.2Å; P44-K139 WeakPolarHBondContact O-CG 3.32Å; I135-K139 HydrophobicContact CG2-CD 4.05Å; I135-K139 WeakPolarHBondContact O-CB 3.17Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.46Å; I135-K139 PolarHBondContact O-N 2.79Å; K136-K139 PolarHBondContact O-N 2.74Å; K139-W141 VanDerWaalsContact C-N 3.32Å; K139-W141 PolarHBondContact O-N 3.36Å; K139-T142 WeakPolarHBondContact O-CB 3.42Å; K139-T142 PolarHBondContact O-N 3.28Å; K139-Q143 WeakPolarHBondContact O-CG 3.44Å; K139-Q143 PolarHBondContact O-N 2.8Å
140E98.4Very high97.6Very high84 Ų8478.7 Ų78.739%0.39337%0.369SS..Hα-helixtrans-60.2-41.8177.4-73.8174.2-172.800111.8K136 M137 K144K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.09Å; M137-E140 PolarHBondContact O-N 2.72Å; E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 2.76Å
141W98.5Very high97.6Very high73 Ų7379.2 Ų79.228%0.27737%0.369SS..Hα-helixtrans-67.1-40.3175.5-86.557.4000112.6R72 I73 Y74 M137 A138 K139 K144 Y145R72-W141 HydrophobicContact CB-CE3 4.31Å; R72-W141 HydrophobicContact CB-CZ3 4.08Å; I73-W141 VanDerWaalsContact C-CE3 3.5Å; Y74-W141 HydrophobicContact CD2-CD2 4.27Å; Y74-W141 AromaticContact CD2-CE2 3.94Å; Y74-W141 HydrophobicContact CD2-CZ2 4.25Å; Y74-W141 HydrophobicContact CG-CD2 4.46Å; Y74-W141 HydrophobicContact CG-CG 4.43Å; M137-W141 VanDerWaalsContact O-CD1 3.27Å; M137-W141 PolarHBondContact O-N 2.89Å; A138-W141 PolarHBondContact O-N 3.5Å; K139-W141 VanDerWaalsContact C-N 3.32Å; K139-W141 PolarHBondContact O-N 3.36Å; W141-K144 PolarHBondContact O-N 3.1Å; W141-Y145 HydrophobicContact CB-CD2 4.17Å; W141-Y145 HydrophobicContact CB-CE2 4.44Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.63Å; W141-Y145 HydrophobicContact CD2-CE2 3.63Å; W141-Y145 AromaticContact CE3-CD2 3.79Å; W141-Y145 HydrophobicContact CE3-CD2 3.79Å; W141-Y145 AromaticContact CE3-CE2 3.68Å; W141-Y145 HydrophobicContact CE3-CE2 3.68Å; W141-Y145 HydrophobicContact CG-CD2 4.18Å; W141-Y145 AromaticContact CG-CE2 3.98Å; W141-Y145 HydrophobicContact CG-CE2 3.98Å; W141-Y145 HydrophobicContact CZ3-CE2 4.24Å; W141-Y145 VanDerWaalsContact O-CD2 3.3Å; W141-Y145 WeakPolarHBondContact O-CD2 3.07Å; W141-Y145 PolarHBondContact O-N 2.87Å
142T98.6Very high97.8Very high3 Ų380.1 Ų80.12%0.01836%0.363CS..Hα-helixtrans-59.6-48.6176-590000110.4P44 Y45 F50 A138 K139 K144 A146 M147P44-T142 PolarHBondContact O-OG1 3.33Å; Y45-T142 WeakPolarHBondContact O-CG2 3.39Å; F50-T142 HydrophobicContact CZ-CG2 4.15Å; A138-T142 WeakPolarHBondContact O-CB 3.42Å; A138-T142 PolarHBondContact O-N 2.82Å; A138-T142 PolarHBondContact O-OG1 2.69Å; K139-T142 WeakPolarHBondContact O-CB 3.42Å; K139-T142 PolarHBondContact O-N 3.28Å; T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 2.77Å; T142-A146 HydrophobicContact CG2-CB 4.33Å; T142-A146 CarbonylContact O-C 3.45Å; T142-A146 WeakPolarHBondContact O-CA 3.15Å; T142-A146 WeakPolarHBondContact O-CB 3.4Å; T142-A146 PolarHBondContact O-N 3.33Å; T142-M147 HydrophobicContact CG2-CE 4.16Å; T142-M147 PolarHBondContact O-N 3.22Å
143Q98.3Very high97.9Very high131 Ų13175.9 Ų75.961%0.61234%0.343SS*.Hα-helixtrans-60.6-36.6176.2-72.6-178.1-9.200113.1K139 M147K139-Q143 WeakPolarHBondContact O-CG 3.44Å; K139-Q143 PolarHBondContact O-N 2.8Å; Q143-M147 HydrophobicContact CB-SD 4.31Å; Q143-M147 HydrophobicContact CG-CE 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.79Å
144K98.2Very high97.8Very high148 Ų14874.1 Ų74.164%0.64334%0.336SS*.Hα-helixtrans-81-33.7-174.3-174.2173.1177.4-1750114E140 W141 T142E140-K144 VanDerWaalsContact O-CB 3.31Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 2.76Å; W141-K144 PolarHBondContact O-N 3.1Å; T142-K144 VanDerWaalsContact C-N 3.29Å; T142-K144 PolarHBondContact O-N 2.77Å
145Y98Very high97.8Very high71 Ų7179.2 Ų79.228%0.27836%0.36SS..Hα-helixtrans-122-16.4-167.9-56.2-63.3000114.4T71 R72 W141T71-Y145 VanDerWaalsContact CG2-O 3.29Å; T71-Y145 WeakPolarHBondContact CG2-O 3.32Å; R72-Y145 HydrophobicContact CB-CD1 4.35Å; R72-Y145 HydrophobicContact CB-CD2 4Å; R72-Y145 HydrophobicContact CB-CG 3.91Å; W141-Y145 HydrophobicContact CB-CD2 4.17Å; W141-Y145 HydrophobicContact CB-CE2 4.44Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.63Å; W141-Y145 HydrophobicContact CD2-CE2 3.63Å; W141-Y145 AromaticContact CE3-CD2 3.79Å; W141-Y145 HydrophobicContact CE3-CD2 3.79Å; W141-Y145 AromaticContact CE3-CE2 3.68Å; W141-Y145 HydrophobicContact CE3-CE2 3.68Å; W141-Y145 HydrophobicContact CG-CD2 4.18Å; W141-Y145 AromaticContact CG-CE2 3.98Å; W141-Y145 HydrophobicContact CG-CE2 3.98Å; W141-Y145 HydrophobicContact CZ3-CE2 4.24Å; W141-Y145 VanDerWaalsContact O-CD2 3.3Å; W141-Y145 WeakPolarHBondContact O-CD2 3.07Å; W141-Y145 PolarHBondContact O-N 2.87Å
146A97.3Very high97.8Very high7 Ų780.9 Ų80.96%0.05837%0.365CS..THydrogen-bonded Turntrans-125.5-3.1-171.700000113.9G48 V49 F50 T71 T142G48-A146 CarbonylContact C-O 3.5Å; G48-A146 WeakPolarHBondContact CA-O 3.4Å; V49-A146 PolarHBondContact N-O 2.93Å; F50-A146 HydrophobicContact CD1-CB 4.01Å; F50-A146 HydrophobicContact CE1-CB 3.57Å; F50-A146 HydrophobicContact CE2-CB 4.26Å; F50-A146 HydrophobicContact CZ-CB 3.71Å; T71-A146 HydrophobicContact CG2-CB 3.94Å; T142-A146 HydrophobicContact CG2-CB 4.33Å; T142-A146 CarbonylContact O-C 3.45Å; T142-A146 WeakPolarHBondContact O-CA 3.15Å; T142-A146 WeakPolarHBondContact O-CB 3.4Å; T142-A146 PolarHBondContact O-N 3.33Å
147M92.9Very high97.8Very high157 Ų15776.2 Ų76.277%0.77335%0.345SS*.  trans-103.10174.2-70.6-173.3175.200111.9Q46 T142 Q143Q46-M147 WeakPolarHBondContact O-CE 3.47Å; T142-M147 HydrophobicContact CG2-CE 4.16Å; T142-M147 PolarHBondContact O-N 3.22Å; Q143-M147 HydrophobicContact CB-SD 4.31Å; Q143-M147 HydrophobicContact CG-CE 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.79Å

Retrieved 147 of 147 residues in 235.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).