A0A087X448_POEFO Loading...

Pyroglutamyl-peptidase I

Removes 5-oxoproline from various penultimate amino acid residues except L-proline.

AlphaFold DB , UniProt , Accession A0A087X448, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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
1M36.7Very low74.8Confident240 Ų24065.3 Ų65.3100%1.18235%0.353SS*.  0850-67.2172.9-177.900106.1N3M1-N3 PolarHBondContact O-N 3.49Å
2D39.6Very low76.8Confident144 Ų14459.8 Ų59.877%0.7732%0.324SS*.  trans-78.385.6176.3-171.812.5000107.1S4D2-S4 PolarHBondContact O-N 3.48Å
3N44Very low78.4Confident140 Ų14055.6 Ų55.675%0.74930%0.301SS*.  trans-75.173.6172.1-170.351.2000106.6M1 S5M1-N3 PolarHBondContact O-N 3.49Å; N3-S5 PolarHBondContact O-N 3.44Å
4S55.3Low79.7Confident71 Ų7151.9 Ų51.950%0.49728%0.281SS..  trans-51.4108.8169.7-540000106.3D2 R6D2-S4 PolarHBondContact O-N 3.48Å; S4-R6 PolarHBondContact O-N 3.33Å
5S67.9Low80.6Confident68 Ų6852.6 Ų52.648%0.47629%0.29SS..  trans-60.3129.4-167.870.10000108.8N3 T7N3-S5 PolarHBondContact O-N 3.44Å; S5-T7 PolarHBondContact O-N 3.36Å; S5-T7 PolarHBondContact OG-OG1 3.37Å
6R88Confident81.1Confident52 Ų5254.3 Ų54.320%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-78.459.9174.9-58.1175.476111.3-2.4108.7S4 V8 N39 V40 D41 D198S4-R6 PolarHBondContact O-N 3.33Å; R6-V8 PolarHBondContact O-N 3.45Å; R6-N39 WeakPolarHBondContact CB-O 3.36Å; R6-V40 HydrophobicContact CB-CG2 4.31Å; R6-V40 WeakPolarHBondContact O-CA 3.42Å; R6-V40 WeakPolarHBondContact O-CG1 3.34Å; R6-D41 PolarHBondContact O-N 3.1Å; R6-D41 VanDerWaalsContact O-N 3.08Å; R6-D198 IonicContact CZ-OD1 3.15Å; R6-D198 IonicContact CZ-OD2 2.81Å; R6-D198 IonicContact NH1-OD1 3.32Å; R6-D198 PolarHBondContact NH1-OD1 2.92Å; R6-D198 VanDerWaalsContact NH1-OD1 3.07Å; R6-D198 IonicContact NH1-OD2 2.71Å; R6-D198 PolarHBondContact NH1-OD2 3.34Å; R6-D198 VanDerWaalsContact NH2-CG 3.25Å; R6-D198 IonicContact NH2-OD1 2.76Å; R6-D198 PolarHBondContact NH2-OD1 2.89Å; R6-D198 VanDerWaalsContact NH2-OD1 3.16Å; R6-D198 IonicContact NH2-OD2 3.88Å; R6-D198 PolarHBondContact NH2-OD2 2.81Å
7T96.9Very high81.2Confident3 Ų354.8 Ų54.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-75.9124.9179.6-60.20000108.5S5 D41 F65 P67 R68S5-T7 PolarHBondContact O-N 3.36Å; S5-T7 PolarHBondContact OG-OG1 3.37Å; T7-D41 CarbonylContact C-O 3.54Å; T7-D41 VanDerWaalsContact CA-O 3.32Å; T7-D41 WeakPolarHBondContact CA-O 3.26Å; T7-D41 PolarHBondContact OG1-OD2 3.02Å; T7-F65 HydrophobicContact CG2-CB 3.98Å; T7-P67 HydrophobicContact CG2-CB 4.39Å; T7-P67 CarbonylContact O-C 3.6Å; T7-P67 WeakPolarHBondContact O-CA 3.32Å; T7-P67 WeakPolarHBondContact O-CB 3.4Å; T7-R68 PolarHBondContact O-N 3.47Å
8V98Very high81.2Confident0 Ų062.4 Ų62.40%035%0.347CS..EExtended strand (participates in β ladder)trans-124129.6179.2178.10000108.2R6 V10 L36 V40 D41 H43 L69 I190 L194R6-V8 PolarHBondContact O-N 3.45Å; V8-V10 HydrophobicContact CG1-CG2 3.94Å; V8-L36 HydrophobicContact CB-CD1 4.25Å; V8-L36 HydrophobicContact CG1-CD1 4.06Å; V8-V40 HydrophobicContact CB-CG1 4.08Å; V8-V40 HydrophobicContact CG2-CG1 3.77Å; V8-D41 PolarHBondContact N-O 3.32Å; V8-H43 PolarHBondContact O-N 2.91Å; V8-L69 WeakPolarHBondContact CA-O 3.47Å; V8-I190 HydrophobicContact CG1-CG2 4.23Å; V8-L194 HydrophobicContact CG2-CD1 4.05Å; V8-L194 HydrophobicContact CG2-CD2 3.75Å; V8-L194 HydrophobicContact CG2-CG 4.43Å
9V98.7Very high81.3Confident0 Ų066.2 Ų66.20%036%0.361CS..EExtended strand (participates in β ladder)trans-105.3129171.8-179.30000108.3T11 H43 L61 F65 P67 L69 I70 V71V9-T11 HydrophobicContact CG1-CG2 4.21Å; V9-H43 CarbonylContact C-O 3.58Å; V9-H43 WeakPolarHBondContact CA-O 3.44Å; V9-H43 HydrophobicContact CG2-CB 4.26Å; V9-L61 HydrophobicContact CG1-CD1 4.12Å; V9-L61 HydrophobicContact CG1-CD2 4.32Å; V9-F65 HydrophobicContact CG2-CB 4.02Å; V9-F65 HydrophobicContact CG2-CD2 3.87Å; V9-F65 HydrophobicContact CG2-CG 4.1Å; V9-P67 HydrophobicContact CG2-CB 4Å; V9-P67 HydrophobicContact CG2-CG 4.11Å; V9-L69 PolarHBondContact N-O 3.27Å; V9-L69 VanDerWaalsContact N-O 3.11Å; V9-I70 HydrophobicContact CB-CB 4.47Å; V9-I70 HydrophobicContact CB-CD1 4.21Å; V9-I70 HydrophobicContact CB-CG1 3.97Å; V9-I70 HydrophobicContact CB-CG2 4.19Å; V9-I70 HydrophobicContact CG1-CG2 4.3Å; V9-I70 HydrophobicContact CG2-CD1 4.5Å; V9-I70 HydrophobicContact CG2-CG1 4.46Å; V9-I70 CarbonylContact O-C 3.38Å; V9-I70 VanDerWaalsContact O-CA 3.28Å; V9-I70 WeakPolarHBondContact O-CA 3.38Å; V9-V71 PolarHBondContact O-N 3.06Å
10V98.8Very high81.7Confident0 Ų068.9 Ų68.90%038%0.38CS..EExtended strand (participates in β ladder)trans-119.3131.2173.7-170.70000109.4V8 V28 M31 L42 H43 V44 H45 V71 V73 I190V8-V10 HydrophobicContact CG1-CG2 3.94Å; V10-V28 HydrophobicContact CB-CG1 4.49Å; V10-V28 HydrophobicContact CG1-CG1 4.16Å; V10-V28 HydrophobicContact CG1-CG2 3.82Å; V10-M31 HydrophobicContact CB-CE 3.79Å; V10-M31 HydrophobicContact CG1-CE 3.83Å; V10-M31 HydrophobicContact CG2-CE 3.68Å; V10-L42 HydrophobicContact CB-CD1 4.45Å; V10-L42 HydrophobicContact CG2-CD1 3.72Å; V10-H43 PolarHBondContact N-O 2.99Å; V10-V44 HydrophobicContact CB-CG1 4.27Å; V10-V44 WeakPolarHBondContact O-CA 3.3Å; V10-H45 PolarHBondContact O-N 2.7Å; V10-V71 CarbonylContact C-O 3.59Å; V10-V71 VanDerWaalsContact CA-O 3.25Å; V10-V71 WeakPolarHBondContact CA-O 3.49Å; V10-V71 HydrophobicContact CG1-CB 4.41Å; V10-V71 HydrophobicContact CG2-CB 4.41Å; V10-V73 HydrophobicContact CG1-CG2 4.01Å; V10-I190 HydrophobicContact CG1-CD1 4.19Å; V10-I190 HydrophobicContact CG2-CD1 3.75Å
11T98.9Very high82.1Confident0 Ų069.8 Ų69.80%039%0.387CS..EExtended strand (participates in β ladder)trans-118.1145.517976.50000112.3V9 H45 V47 L61 V71 H72 V73V9-T11 HydrophobicContact CG1-CG2 4.21Å; T11-H45 WeakPolarHBondContact CA-O 3.48Å; T11-H45 WeakPolarHBondContact CB-O 3.5Å; T11-H45 HydrophobicContact CG2-CB 4.31Å; T11-V47 HydrophobicContact CG2-CG2 4Å; T11-L61 HydrophobicContact CG2-CD1 3.97Å; T11-V71 PolarHBondContact N-O 2.99Å; T11-H72 PolarHBondContact OG1-ND1 3.48Å; T11-V73 WeakPolarHBondContact O-CA 3.39Å; T11-V73 WeakPolarHBondContact O-CB 3.47Å; T11-V73 PolarHBondContact O-N 3.46Å
12G98.6Very high85Confident0 Ų059.1 Ų59.10%034%0.335CS..EExtended strand (participates in β ladder)trans-121155.716400000109.7H45 E46 V47G12-H45 PolarHBondContact N-O 2.89Å; G12-H45 VanDerWaalsContact N-O 3.16Å; G12-E46 CarbonylContact O-C 3.58Å; G12-E46 WeakPolarHBondContact O-CA 3.33Å; G12-V47 PolarHBondContact O-N 3.36Å
13F98.4Very high87.7Confident5 Ų552.5 Ų52.52%0.02230%0.3CS..EExtended strand (participates in β ladder)trans-81.6143.8175.8-76.2-83000111.4N22 S24 W25 V47 V49 V73 L149 T153 F167F13-N22 WeakPolarHBondContact CB-ND2 3.23Å; F13-N22 WeakPolarHBondContact O-CB 3.36Å; F13-N22 PolarHBondContact O-ND2 3.49Å; F13-S24 PolarHBondContact N-OG 3.34Å; F13-W25 VanDerWaalsContact O-CB 3.31Å; F13-W25 WeakPolarHBondContact O-CB 3.34Å; F13-V47 WeakPolarHBondContact CA-O 3.31Å; F13-V47 HydrophobicContact CD1-CB 3.98Å; F13-V47 HydrophobicContact CD1-CG1 3.85Å; F13-V47 HydrophobicContact CE1-CB 4.16Å; F13-V47 HydrophobicContact CE1-CG1 3.61Å; F13-V47 HydrophobicContact CZ-CG1 4.44Å; F13-V49 HydrophobicContact CB-CG2 4.12Å; F13-V49 HydrophobicContact CD1-CG2 3.85Å; F13-V49 HydrophobicContact CG-CG2 4.34Å; F13-V73 WeakPolarHBondContact CD2-O 3.4Å; F13-L149 HydrophobicContact CE1-CB 4.03Å; F13-L149 HydrophobicContact CZ-CB 4.34Å; F13-L149 WeakPolarHBondContact CZ-O 3.08Å; F13-T153 HydrophobicContact CZ-CG2 4.4Å; F13-T153 WeakPolarHBondContact CZ-OG1 3.45Å; F13-F167 HydrophobicContact CE2-CE2 4.05Å; F13-F167 AromaticContact CE2-CZ 4Å; F13-F167 HydrophobicContact CE2-CZ 4Å
14G96.3Very high90.3Very high3 Ų345.8 Ų45.83%0.03127%0.265CS..  trans-76-164.4170.200000113.5N22 E46 V47G14-N22 WeakPolarHBondContact O-CB 3.45Å; G14-N22 PolarHBondContact O-ND2 2.94Å; G14-E46 WeakPolarHBondContact CA-OE1 3.49Å; G14-V47 PolarHBondContact N-O 2.9Å
15P93.1Very high92.4Very high63 Ų6344.7 Ų44.741%0.40925%0.25SC..  trans-54.1146.9179.4-28.336.6000114.1H19 N98P15-H19 VanDerWaalsContact CA-O 3.28Å; P15-H19 WeakPolarHBondContact CA-O 3.27Å; P15-H19 WeakPolarHBondContact CB-O 3.49Å; P15-N98 PolarHBondContact O-ND2 2.91Å
16F88.4Confident93.8Very high80 Ų8042.8 Ų42.835%0.35124%0.235SC..BIsolated β-bridgetrans-141.2126.1178.7179.5-121.9000111.9E18 H19 V49 N98 Y148F16-E18 PolarHBondContact O-N 3.3Å; F16-H19 PolarHBondContact N-O 3.12Å; F16-H19 VanDerWaalsContact N-O 3.07Å; F16-H19 WeakPolarHBondContact O-CB 3.28Å; F16-H19 PolarHBondContact O-N 2.89Å; F16-V49 HydrophobicContact CB-CB 4.47Å; F16-V49 HydrophobicContact CB-CG1 4.49Å; F16-V49 HydrophobicContact CB-CG2 4.05Å; F16-V49 HydrophobicContact CD2-CB 3.97Å; F16-V49 HydrophobicContact CD2-CG1 3.44Å; F16-V49 VanDerWaalsContact CD2-CG1 3.44Å; F16-V49 HydrophobicContact CD2-CG2 4.43Å; F16-V49 HydrophobicContact CE2-CG1 3.99Å; F16-V49 HydrophobicContact CG-CG1 4.11Å; F16-N98 WeakPolarHBondContact CD2-OD1 3.45Å; F16-Y148 HydrophobicContact CD2-CE1 4.43Å; F16-Y148 HydrophobicContact CE1-CE1 4.31Å; F16-Y148 AromaticContact CE2-CE1 3.84Å; F16-Y148 HydrophobicContact CE2-CE1 3.84Å; F16-Y148 AromaticContact CE2-CZ 3.78Å; F16-Y148 WeakPolarHBondContact CE2-OH 3.31Å; F16-Y148 AromaticContact CZ-CE1 3.75Å; F16-Y148 HydrophobicContact CZ-CE1 3.75Å; F16-Y148 AromaticContact CZ-CZ 3.84Å; F16-Y148 WeakPolarHBondContact CZ-OH 3.44Å
17G83.2Confident94.3Very high63 Ų6340.3 Ų40.365%0.64923%0.226SC*.THydrogen-bonded Turntrans54.9-123.9-176.700000111.3H19 N98G17-H19 VanDerWaalsContact C-N 3.33Å; G17-N98 PolarHBondContact N-OD1 2.93Å
18E80.8Confident94.4Very high191 Ų19140.2 Ų40.289%0.89323%0.225SC*.THydrogen-bonded Turntrans-82.7-9.6178.2-58.5-175154.400113.5F16 T20F16-E18 PolarHBondContact O-N 3.3Å; E18-T20 PolarHBondContact O-N 3.11Å
19H83.7Confident94.5Very high134 Ų13444 Ų4462%0.6224%0.243SC*.BIsolated β-bridgetrans-83.6102-178.4-60.1-67.6000110.8P15 F16 G17 V21P15-H19 VanDerWaalsContact CA-O 3.28Å; P15-H19 WeakPolarHBondContact CA-O 3.27Å; P15-H19 WeakPolarHBondContact CB-O 3.49Å; F16-H19 PolarHBondContact N-O 3.12Å; F16-H19 VanDerWaalsContact N-O 3.07Å; F16-H19 WeakPolarHBondContact O-CB 3.28Å; F16-H19 PolarHBondContact O-N 2.89Å; G17-H19 VanDerWaalsContact C-N 3.33Å; H19-V21 VanDerWaalsContact C-N 3.26Å; H19-V21 PolarHBondContact O-N 3.13Å
20T88.3Confident94.4Very high120 Ų12045.8 Ų45.874%0.73625%0.251SS*.SBendtrans-75-14.3176.456.70000113.7E18E18-T20 PolarHBondContact O-N 3.11Å
21V91.1Very high94.4Very high88 Ų8845.8 Ų45.853%0.53325%0.251SS..SBendtrans-125.3128.7176.5-179.70000108.9H19 V26 L173H19-V21 VanDerWaalsContact C-N 3.26Å; H19-V21 PolarHBondContact O-N 3.13Å; V21-V26 HydrophobicContact CG1-CG2 3.74Å; V21-L173 HydrophobicContact CG1-CD1 4.07Å
22N96.4Very high94.4Very high16 Ų1651.3 Ų51.39%0.08628%0.275CS..  trans-109.5126.1177.9-167.8-43.9000110.4F13 G14 S24 W25 V26 V75F13-N22 WeakPolarHBondContact CB-ND2 3.23Å; F13-N22 WeakPolarHBondContact O-CB 3.36Å; F13-N22 PolarHBondContact O-ND2 3.49Å; G14-N22 WeakPolarHBondContact O-CB 3.45Å; G14-N22 PolarHBondContact O-ND2 2.94Å; N22-S24 PolarHBondContact O-N 3.45Å; N22-S24 WeakPolarHBondContact OD1-CB 2.93Å; N22-S24 PolarHBondContact OD1-N 3.05Å; N22-S24 PolarHBondContact OD1-OG 2.62Å; N22-W25 PolarHBondContact O-N 3.23Å; N22-W25 VanDerWaalsContact O-N 3.16Å; N22-V26 PolarHBondContact O-N 3Å; N22-V75 VanDerWaalsContact OD1-CG1 3.32Å; N22-V75 WeakPolarHBondContact OD1-CG1 3.34Å
23A97.4Very high94.4Very high5 Ų558.5 Ų58.54%0.04131%0.307CS..Hα-helixtrans-58.3-34.2-177.800000112.7V26 A27 V75 V170 L173A23-V26 PolarHBondContact O-N 2.77Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.33Å; A23-V75 HydrophobicContact CB-CB 4.09Å; A23-V75 HydrophobicContact CB-CG2 3.72Å; A23-V170 HydrophobicContact CB-CG2 4.26Å; A23-L173 HydrophobicContact CB-CD2 4.04Å; A23-L173 HydrophobicContact CB-CG 3.7Å
24S98.3Very high94.3Very high0 Ų062.1 Ų62.10%033%0.326CS..Hα-helixtrans-64.7-43.3178.463.90000112.4F13 N22 A27 V28 V73F13-S24 PolarHBondContact N-OG 3.34Å; N22-S24 PolarHBondContact O-N 3.45Å; N22-S24 WeakPolarHBondContact OD1-CB 2.93Å; N22-S24 PolarHBondContact OD1-N 3.05Å; N22-S24 PolarHBondContact OD1-OG 2.62Å; S24-A27 PolarHBondContact O-N 3.45Å; S24-V28 VanDerWaalsContact O-CG2 3.28Å; S24-V28 WeakPolarHBondContact O-CG2 3.47Å; S24-V28 PolarHBondContact O-N 3.03Å; S24-V73 VanDerWaalsContact CB-O 3.23Å; S24-V73 WeakPolarHBondContact CB-O 3.17Å; S24-V73 PolarHBondContact OG-O 2.79Å
25W98.6Very high94.4Very high47 Ų4763 Ų6318%0.17833%0.334CS..Hα-helixtrans-67.3-42.9178.1-177.3-131.5000112.1F13 N22 A27 V28 Q29 V44 H45 E46F13-W25 VanDerWaalsContact O-CB 3.31Å; F13-W25 WeakPolarHBondContact O-CB 3.34Å; N22-W25 PolarHBondContact O-N 3.23Å; N22-W25 VanDerWaalsContact O-N 3.16Å; W25-A27 PolarHBondContact O-N 2.93Å; W25-V28 HydrophobicContact CE3-CB 4.33Å; W25-V28 HydrophobicContact CE3-CG1 4.25Å; W25-V28 HydrophobicContact CZ3-CG1 4.05Å; W25-V28 PolarHBondContact O-N 2.66Å; W25-Q29 HydrophobicContact CD2-CG 4.17Å; W25-Q29 HydrophobicContact CZ2-CG 4.15Å; W25-Q29 WeakPolarHBondContact O-CG 3.31Å; W25-Q29 PolarHBondContact O-N 3.07Å; W25-V44 HydrophobicContact CH2-CG2 4.34Å; W25-H45 WeakPolarHBondContact CZ3-O 3.36Å; W25-E46 VanDerWaalsContact CD1-OE1 3.23Å; W25-E46 HydrophobicContact CD2-CB 3.95Å; W25-E46 HydrophobicContact CD2-CG 3.88Å; W25-E46 HydrophobicContact CE3-CB 3.95Å; W25-E46 HydrophobicContact CE3-CG 4.22Å; W25-E46 HydrophobicContact CG-CG 4.13Å; W25-E46 HydrophobicContact CH2-CB 3.83Å; W25-E46 HydrophobicContact CZ2-CB 3.78Å; W25-E46 HydrophobicContact CZ2-CG 4.44Å; W25-E46 HydrophobicContact CZ3-CB 3.91Å; W25-E46 PolarHBondContact NE1-OE1 3.35Å
26V98.5Very high94.5Very high29 Ų2960.3 Ų60.318%0.17632%0.317CS..Hα-helixtrans-59.6-47.4175174.80000111V21 N22 A23 V28 Q29 E30 L173V21-V26 HydrophobicContact CG1-CG2 3.74Å; N22-V26 PolarHBondContact O-N 3Å; A23-V26 PolarHBondContact O-N 2.77Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.46Å; V26-Q29 WeakPolarHBondContact O-CB 3.43Å; V26-Q29 PolarHBondContact O-N 3.32Å; V26-Q29 VanDerWaalsContact O-N 3.17Å; V26-E30 WeakPolarHBondContact O-CG 3.36Å; V26-E30 PolarHBondContact O-N 2.71Å; V26-L173 HydrophobicContact CB-CD1 4.04Å; V26-L173 HydrophobicContact CB-CD2 4.2Å; V26-L173 HydrophobicContact CG1-CD1 4.1Å; V26-L173 HydrophobicContact CG1-CD2 3.99Å; V26-L173 HydrophobicContact CG2-CD1 3.9Å
27A98.6Very high94.7Very high0 Ų057.9 Ų57.90%031%0.314CS..Hα-helixtrans-60.4-40.3178.300000112.4A23 S24 W25 E30 M31 L182 G183 L186A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.33Å; S24-A27 PolarHBondContact O-N 3.45Å; W25-A27 PolarHBondContact O-N 2.93Å; A27-E30 PolarHBondContact O-N 3.36Å; A27-M31 WeakPolarHBondContact O-CB 3.42Å; A27-M31 PolarHBondContact O-N 3.04Å; A27-L182 HydrophobicContact CB-CB 3.63Å; A27-L182 HydrophobicContact CB-CD1 4.36Å; A27-G183 WeakPolarHBondContact O-CA 3.46Å; A27-L186 HydrophobicContact CB-CD1 3.65Å
28V98.8Very high94.9Very high0 Ų063.6 Ų63.60%033%0.33CS..Hα-helixtrans-66-39.1176.1169.10000111.6V10 S24 W25 V26 M31 K32 V44 V73 L186V10-V28 HydrophobicContact CB-CG1 4.49Å; V10-V28 HydrophobicContact CG1-CG1 4.16Å; V10-V28 HydrophobicContact CG1-CG2 3.82Å; S24-V28 VanDerWaalsContact O-CG2 3.28Å; S24-V28 WeakPolarHBondContact O-CG2 3.47Å; S24-V28 PolarHBondContact O-N 3.03Å; W25-V28 HydrophobicContact CE3-CB 4.33Å; W25-V28 HydrophobicContact CE3-CG1 4.25Å; W25-V28 HydrophobicContact CZ3-CG1 4.05Å; W25-V28 PolarHBondContact O-N 2.66Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.46Å; V28-M31 PolarHBondContact O-N 2.74Å; V28-K32 WeakPolarHBondContact O-CB 3.44Å; V28-K32 PolarHBondContact O-N 2.67Å; V28-V44 HydrophobicContact CG1-CB 3.77Å; V28-V44 HydrophobicContact CG1-CG1 3.86Å; V28-V44 HydrophobicContact CG1-CG2 4.44Å; V28-V73 HydrophobicContact CG2-CB 3.88Å; V28-V73 HydrophobicContact CG2-CG1 4.48Å; V28-V73 HydrophobicContact CG2-CG2 3.66Å; V28-L186 HydrophobicContact CG2-CD1 4.15Å
29Q98.8Very high95.4Very high80 Ų8059.4 Ų59.437%0.37431%0.313SS..Hα-helixtrans-64.4-43.8175-71.7179.1-45.600111.6W25 V26 K32 K33W25-Q29 HydrophobicContact CD2-CG 4.17Å; W25-Q29 HydrophobicContact CZ2-CG 4.15Å; W25-Q29 WeakPolarHBondContact O-CG 3.31Å; W25-Q29 PolarHBondContact O-N 3.07Å; V26-Q29 WeakPolarHBondContact O-CB 3.43Å; V26-Q29 PolarHBondContact O-N 3.32Å; V26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-K32 WeakPolarHBondContact O-CB 3.43Å; Q29-K32 PolarHBondContact O-N 3.09Å; Q29-K33 WeakPolarHBondContact O-CG 3.35Å; Q29-K33 PolarHBondContact O-N 3.33Å
30E98.6Very high96Very high37 Ų3753.9 Ų53.917%0.17329%0.289CS..Hα-helixtrans-63.4-43.3175.3-65.7-51.4141.800111.7V26 A27 K32 K33 L34V26-E30 WeakPolarHBondContact O-CG 3.36Å; V26-E30 PolarHBondContact O-N 2.71Å; A27-E30 PolarHBondContact O-N 3.36Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 3.5Å; E30-K33 WeakPolarHBondContact O-CB 3.42Å; E30-K33 PolarHBondContact O-N 2.63Å; E30-K33 IonicContact OE1-NZ 3.86Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å; E30-K33 WeakPolarHBondContact OE2-CD 3.37Å; E30-K33 WeakPolarHBondContact OE2-CE 3.25Å; E30-K33 IonicContact OE2-NZ 3.65Å; E30-K33 PolarHBondContact OE2-NZ 3.03Å; E30-L34 PolarHBondContact O-N 3.42Å
31M98.6Very high96.4Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-59.7-42.3174.1-178.2-79.1-61.600111.7V10 A27 V28 K33 L34 G35 L36 L42 V44 G183 L186 Q187 I190V10-M31 HydrophobicContact CB-CE 3.79Å; V10-M31 HydrophobicContact CG1-CE 3.83Å; V10-M31 HydrophobicContact CG2-CE 3.68Å; A27-M31 WeakPolarHBondContact O-CB 3.42Å; A27-M31 PolarHBondContact O-N 3.04Å; V28-M31 PolarHBondContact O-N 2.74Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.16Å; M31-L34 WeakPolarHBondContact O-CA 3.5Å; M31-L34 WeakPolarHBondContact O-CB 3.43Å; M31-L34 PolarHBondContact O-N 2.96Å; M31-G35 PolarHBondContact O-N 3.13Å; M31-L36 HydrophobicContact SD-CD2 4.16Å; M31-L36 HydrophobicContact SD-CG 4.24Å; M31-L42 HydrophobicContact CE-CD1 4.19Å; M31-L42 HydrophobicContact CE-CD2 4.18Å; M31-L42 HydrophobicContact SD-CD2 3.79Å; M31-V44 HydrophobicContact CE-CG1 4.24Å; M31-G183 WeakPolarHBondContact CB-O 3.5Å; M31-L186 HydrophobicContact CB-CB 4.11Å; M31-L186 HydrophobicContact CB-CD1 4.48Å; M31-L186 HydrophobicContact CG-CB 3.96Å; M31-Q187 HydrophobicContact CG-CB 4.08Å; M31-I190 HydrophobicContact CE-CD1 4.41Å
32K98.4Very high96.7Very high117 Ų11749.1 Ų49.151%0.50926%0.256SS..Hα-helixtrans-56.5-39.8178-169.4-164.8-168.21640112V28 Q29 E30 L34 G35 V44V28-K32 WeakPolarHBondContact O-CB 3.44Å; V28-K32 PolarHBondContact O-N 2.67Å; Q29-K32 WeakPolarHBondContact O-CB 3.43Å; Q29-K32 PolarHBondContact O-N 3.09Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 3.5Å; K32-L34 PolarHBondContact O-N 3.46Å; K32-G35 PolarHBondContact O-N 3.44Å; K32-V44 HydrophobicContact CB-CG1 4.2Å; K32-V44 HydrophobicContact CB-CG2 4.4Å; K32-V44 HydrophobicContact CD-CG2 3.54Å; K32-V44 HydrophobicContact CG-CG1 4.17Å; K32-V44 HydrophobicContact CG-CG2 4.1Å
33K98.3Very high96.8Very high151 Ų15150.6 Ų50.666%0.65726%0.262SS*.Hα-helixtrans-61.9-32.5177.7-62.1174.1-164.2168.80112Q29 E30 M31Q29-K33 WeakPolarHBondContact O-CG 3.35Å; Q29-K33 PolarHBondContact O-N 3.33Å; E30-K33 WeakPolarHBondContact O-CB 3.42Å; E30-K33 PolarHBondContact O-N 2.63Å; E30-K33 IonicContact OE1-NZ 3.86Å; E30-K33 PolarHBondContact OE1-NZ 3.49Å; E30-K33 WeakPolarHBondContact OE2-CD 3.37Å; E30-K33 WeakPolarHBondContact OE2-CE 3.25Å; E30-K33 IonicContact OE2-NZ 3.65Å; E30-K33 PolarHBondContact OE2-NZ 3.03Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 3.16Å
34L97.2Very high96.9Very high81 Ų8151.3 Ų51.342%0.42427%0.266SS..Hα-helixtrans-82.3-27178.8-54.2172.6000112.6E30 M31 K32 R184 Q187E30-L34 PolarHBondContact O-N 3.42Å; M31-L34 WeakPolarHBondContact O-CA 3.5Å; M31-L34 WeakPolarHBondContact O-CB 3.43Å; M31-L34 PolarHBondContact O-N 2.96Å; K32-L34 PolarHBondContact O-N 3.46Å; L34-R184 HydrophobicContact CD1-CB 4.43Å; L34-R184 HydrophobicContact CD1-CG 3.73Å; L34-Q187 VanDerWaalsContact CB-NE2 3.31Å; L34-Q187 HydrophobicContact CD1-CB 4.47Å; L34-Q187 PolarHBondContact O-NE2 2.93Å
35G96.9Very high96.9Very high20 Ų2053.8 Ų53.821%0.20628%0.278CS..  trans67.7-179-17600000113.4M31 K32 Q187M31-G35 PolarHBondContact O-N 3.13Å; K32-G35 PolarHBondContact O-N 3.44Å; G35-Q187 WeakPolarHBondContact O-CG 3.33Å; G35-Q187 PolarHBondContact O-NE2 3.18Å
36L96.4Very high96.9Very high8 Ų855.7 Ų55.74%0.04229%0.288CS..SBendtrans-111.8-1177.8-69.6174.1000113.9V8 M31 V40 L42 Q187 I190 R191V8-L36 HydrophobicContact CB-CD1 4.25Å; V8-L36 HydrophobicContact CG1-CD1 4.06Å; M31-L36 HydrophobicContact SD-CD2 4.16Å; M31-L36 HydrophobicContact SD-CG 4.24Å; L36-V40 HydrophobicContact CB-CB 3.9Å; L36-V40 HydrophobicContact CB-CG1 3.73Å; L36-V40 HydrophobicContact CB-CG2 4.19Å; L36-V40 HydrophobicContact CD1-CG1 3.87Å; L36-V40 HydrophobicContact CG-CG1 4.45Å; L36-L42 HydrophobicContact CD1-CD1 3.9Å; L36-L42 HydrophobicContact CD1-CD2 4.49Å; L36-L42 HydrophobicContact CG-CD2 4.29Å; L36-Q187 HydrophobicContact CD2-CG 4.17Å; L36-I190 HydrophobicContact CD1-CB 4.47Å; L36-I190 HydrophobicContact CD1-CG2 3.59Å; L36-I190 HydrophobicContact CD2-CB 3.93Å; L36-I190 HydrophobicContact CD2-CG2 3.89Å; L36-I190 HydrophobicContact CG-CG2 4.42Å; L36-R191 HydrophobicContact CD2-CG 4.25Å; L36-R191 PolarHBondContact O-NE 3.06Å
37G92.3Very high96.8Very high29 Ų2954.3 Ų54.330%0.29928%0.28SS..  trans119159.8-173.900000111N39 V40G37-N39 PolarHBondContact O-N 3.31Å; G37-V40 PolarHBondContact O-N 2.97Å
38N87.6Confident96.8Very high183 Ų18356.7 Ų56.798%0.97930%0.296SS*.THydrogen-bonded Turntrans-69-14.8-171.3-64-13.8000114.2
39N90.7Very high96.7Very high103 Ų10357 Ų5755%0.55130%0.297SS*.THydrogen-bonded Turntrans-96.81.5-179.963.7-20.7000113.3R6 G37R6-N39 WeakPolarHBondContact CB-O 3.36Å; G37-N39 PolarHBondContact O-N 3.31Å
40V95.8Very high96.6Very high18 Ų1855.2 Ų55.211%0.10929%0.289CS..EExtended strand (participates in β ladder)trans-111.6123.3-179.2177.60000109.6R6 V8 L36 G37 L42 L194R6-V40 HydrophobicContact CB-CG2 4.31Å; R6-V40 WeakPolarHBondContact O-CA 3.42Å; R6-V40 WeakPolarHBondContact O-CG1 3.34Å; V8-V40 HydrophobicContact CB-CG1 4.08Å; V8-V40 HydrophobicContact CG2-CG1 3.77Å; L36-V40 HydrophobicContact CB-CB 3.9Å; L36-V40 HydrophobicContact CB-CG1 3.73Å; L36-V40 HydrophobicContact CB-CG2 4.19Å; L36-V40 HydrophobicContact CD1-CG1 3.87Å; L36-V40 HydrophobicContact CG-CG1 4.45Å; G37-V40 PolarHBondContact O-N 2.97Å; V40-L42 PolarHBondContact O-N 3.4Å; V40-L194 HydrophobicContact CG1-CD1 4.45Å; V40-L194 HydrophobicContact CG2-CD1 3.91Å
41D96.9Very high96.5Very high74 Ų7453.4 Ų53.440%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-86.597.5173175.535.4000108.9R6 T7 V8 H43R6-D41 PolarHBondContact O-N 3.1Å; R6-D41 VanDerWaalsContact O-N 3.08Å; T7-D41 CarbonylContact C-O 3.54Å; T7-D41 VanDerWaalsContact CA-O 3.32Å; T7-D41 WeakPolarHBondContact CA-O 3.26Å; T7-D41 PolarHBondContact OG1-OD2 3.02Å; V8-D41 PolarHBondContact N-O 3.32Å; D41-H43 IonicContact OD1-CD2 3.36Å; D41-H43 IonicContact OD1-CE1 3.08Å; D41-H43 IonicContact OD1-NE2 2.67Å; D41-H43 PolarHBondContact OD1-NE2 3.15Å; D41-H43 IonicContact OD2-CD2 2.63Å; D41-H43 IonicContact OD2-CE1 3.07Å; D41-H43 IonicContact OD2-NE2 2.74Å; D41-H43 PolarHBondContact OD2-NE2 3.24Å
42L98Very high96.4Very high33 Ų3359 Ų5917%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-94.3119.3-172.417461.8000111.9V10 M31 L36 V40 V44V10-L42 HydrophobicContact CB-CD1 4.45Å; V10-L42 HydrophobicContact CG2-CD1 3.72Å; M31-L42 HydrophobicContact CE-CD1 4.19Å; M31-L42 HydrophobicContact CE-CD2 4.18Å; M31-L42 HydrophobicContact SD-CD2 3.79Å; L36-L42 HydrophobicContact CD1-CD1 3.9Å; L36-L42 HydrophobicContact CD1-CD2 4.49Å; L36-L42 HydrophobicContact CG-CD2 4.29Å; V40-L42 PolarHBondContact O-N 3.4Å; L42-V44 HydrophobicContact CD1-CG1 4.05Å; L42-V44 HydrophobicContact CG-CG1 4.19Å
43H98.4Very high96.4Very high48 Ų4858.4 Ų58.422%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-111.4138.5170-61.2-83.3000110V8 V9 V10 D41 F65V8-H43 PolarHBondContact O-N 2.91Å; V9-H43 CarbonylContact C-O 3.58Å; V9-H43 WeakPolarHBondContact CA-O 3.44Å; V9-H43 HydrophobicContact CG2-CB 4.26Å; V10-H43 PolarHBondContact N-O 2.99Å; D41-H43 IonicContact OD1-CD2 3.36Å; D41-H43 IonicContact OD1-CE1 3.08Å; D41-H43 IonicContact OD1-NE2 2.67Å; D41-H43 PolarHBondContact OD1-NE2 3.15Å; D41-H43 IonicContact OD2-CD2 2.63Å; D41-H43 IonicContact OD2-CE1 3.07Å; D41-H43 IonicContact OD2-NE2 2.74Å; D41-H43 PolarHBondContact OD2-NE2 3.24Å; H43-F65 HydrophobicContact CB-CE1 4.33Å; H43-F65 HydrophobicContact CB-CZ 4.34Å; H43-F65 AromaticContact CD2-CD1 3.74Å; H43-F65 AromaticContact CD2-CE1 3.97Å; H43-F65 AromaticContact CE1-CD1 3.93Å; H43-F65 AromaticContact CE1-CE1 3.59Å; H43-F65 AromaticContact CG-CD1 3.79Å; H43-F65 AromaticContact CG-CE1 3.59Å; H43-F65 AromaticContact ND1-CD1 3.93Å; H43-F65 AromaticContact ND1-CE1 3.34Å; H43-F65 VanDerWaalsContact ND1-CE1 3.34Å; H43-F65 WeakPolarHBondContact ND1-CE1 3.31Å; H43-F65 AromaticContact ND1-CZ 3.9Å; H43-F65 AromaticContact NE2-CD1 3.82Å; H43-F65 AromaticContact NE2-CE1 3.96Å
44V98.6Very high96.3Very high20 Ų2051.2 Ų51.212%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-126.2139.5174.6-51.50000112.1V10 W25 V28 M31 K32 L42V10-V44 HydrophobicContact CB-CG1 4.27Å; V10-V44 WeakPolarHBondContact O-CA 3.3Å; W25-V44 HydrophobicContact CH2-CG2 4.34Å; V28-V44 HydrophobicContact CG1-CB 3.77Å; V28-V44 HydrophobicContact CG1-CG1 3.86Å; V28-V44 HydrophobicContact CG1-CG2 4.44Å; M31-V44 HydrophobicContact CE-CG1 4.24Å; K32-V44 HydrophobicContact CB-CG1 4.2Å; K32-V44 HydrophobicContact CB-CG2 4.4Å; K32-V44 HydrophobicContact CD-CG2 3.54Å; K32-V44 HydrophobicContact CG-CG1 4.17Å; K32-V44 HydrophobicContact CG-CG2 4.1Å; L42-V44 HydrophobicContact CD1-CG1 4.05Å; L42-V44 HydrophobicContact CG-CG1 4.19Å
45H98.6Very high96.2Very high52 Ų5251.8 Ų51.824%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-136.3139.4-177.2-70.8-96.3000111.9V10 T11 G12 W25 L61 F65V10-H45 PolarHBondContact O-N 2.7Å; T11-H45 WeakPolarHBondContact CA-O 3.48Å; T11-H45 WeakPolarHBondContact CB-O 3.5Å; T11-H45 HydrophobicContact CG2-CB 4.31Å; G12-H45 PolarHBondContact N-O 2.89Å; G12-H45 VanDerWaalsContact N-O 3.16Å; W25-H45 WeakPolarHBondContact CZ3-O 3.36Å; H45-L61 HydrophobicContact CB-CD2 4.41Å; H45-F65 AromaticContact NE2-CE2 3.39Å; H45-F65 WeakPolarHBondContact NE2-CE2 3.45Å; H45-F65 AromaticContact NE2-CZ 3.57Å
46E98.3Very high96.3Very high86 Ų8654.3 Ų54.340%0.40229%0.288SS..EExtended strand (participates in β ladder)trans-83.7134.3169.3-166.4174.1-151.300109.3G12 G14 W25G12-E46 CarbonylContact O-C 3.58Å; G12-E46 WeakPolarHBondContact O-CA 3.33Å; G14-E46 WeakPolarHBondContact CA-OE1 3.49Å; W25-E46 VanDerWaalsContact CD1-OE1 3.23Å; W25-E46 HydrophobicContact CD2-CB 3.95Å; W25-E46 HydrophobicContact CD2-CG 3.88Å; W25-E46 HydrophobicContact CE3-CB 3.95Å; W25-E46 HydrophobicContact CE3-CG 4.22Å; W25-E46 HydrophobicContact CG-CG 4.13Å; W25-E46 HydrophobicContact CH2-CB 3.83Å; W25-E46 HydrophobicContact CZ2-CB 3.78Å; W25-E46 HydrophobicContact CZ2-CG 4.44Å; W25-E46 HydrophobicContact CZ3-CB 3.91Å; W25-E46 PolarHBondContact NE1-OE1 3.35Å
47V97.9Very high96.3Very high1 Ų155.6 Ų55.61%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-107.5121.2-179.1177.50000108.8T11 G12 F13 G14 V54 L57T11-V47 HydrophobicContact CG2-CG2 4Å; G12-V47 PolarHBondContact O-N 3.36Å; F13-V47 WeakPolarHBondContact CA-O 3.31Å; F13-V47 HydrophobicContact CD1-CB 3.98Å; F13-V47 HydrophobicContact CD1-CG1 3.85Å; F13-V47 HydrophobicContact CE1-CB 4.16Å; F13-V47 HydrophobicContact CE1-CG1 3.61Å; F13-V47 HydrophobicContact CZ-CG1 4.44Å; G14-V47 PolarHBondContact N-O 2.9Å; V47-V54 HydrophobicContact CG1-CG2 3.71Å; V47-L57 HydrophobicContact CB-CD2 4.31Å; V47-L57 HydrophobicContact CG1-CD2 4.34Å; V47-L57 HydrophobicContact CG2-CD2 3.83Å
48P97Very high96.6Very high50 Ų5054.2 Ų54.233%0.32528%0.28SS..  trans-61.4143.2171.1-21.933.3000111.1E50 K53P48-E50 HydrophobicContact CB-CB 4.4Å; P48-E50 PolarHBondContact O-N 3.1Å; P48-K53 HydrophobicContact CB-CB 4.05Å; P48-K53 HydrophobicContact CB-CG 4.1Å; P48-K53 HydrophobicContact CG-CB 4.09Å; P48-K53 HydrophobicContact CG-CG 4.24Å
49V97Very high97.1Very high5 Ų547.8 Ų47.83%0.0325%0.248CC..SBendtrans-81.465.8175.1-168.30000109.4F13 F16 D97 N98 Y148 L149F13-V49 HydrophobicContact CB-CG2 4.12Å; F13-V49 HydrophobicContact CD1-CG2 3.85Å; F13-V49 HydrophobicContact CG-CG2 4.34Å; F16-V49 HydrophobicContact CB-CB 4.47Å; F16-V49 HydrophobicContact CB-CG1 4.49Å; F16-V49 HydrophobicContact CB-CG2 4.05Å; F16-V49 HydrophobicContact CD2-CB 3.97Å; F16-V49 HydrophobicContact CD2-CG1 3.44Å; F16-V49 VanDerWaalsContact CD2-CG1 3.44Å; F16-V49 HydrophobicContact CD2-CG2 4.43Å; F16-V49 HydrophobicContact CE2-CG1 3.99Å; F16-V49 HydrophobicContact CG-CG1 4.11Å; V49-D97 WeakPolarHBondContact O-CB 3.3Å; V49-N98 PolarHBondContact O-N 3.21Å; V49-N98 VanDerWaalsContact O-N 3.09Å; V49-Y148 HydrophobicContact CG1-CE1 3.78Å; V49-L149 HydrophobicContact CG1-CB 4.03Å; V49-L149 HydrophobicContact CG1-CD2 4.45Å; V49-L149 HydrophobicContact CG1-CG 3.86Å
50E97.4Very high97.5Very high43 Ų4345.1 Ų45.120%0.20124%0.238CC..  trans-145.3124.3-175.8-71.2172.3-149.800110P48 Q52 K53 V54 D97 N98P48-E50 HydrophobicContact CB-CB 4.4Å; P48-E50 PolarHBondContact O-N 3.1Å; E50-Q52 PolarHBondContact O-N 3.43Å; E50-K53 HydrophobicContact CB-CB 3.96Å; E50-K53 HydrophobicContact CB-CG 3.65Å; E50-K53 HydrophobicContact CG-CG 4.38Å; E50-K53 PolarHBondContact O-N 3.41Å; E50-K53 WeakPolarHBondContact OE2-CE 3.33Å; E50-K53 WeakPolarHBondContact OE2-CG 3.44Å; E50-V54 PolarHBondContact O-N 2.95Å; E50-D97 VanDerWaalsContact CA-OD2 3.3Å; E50-D97 WeakPolarHBondContact CA-OD2 3.48Å; E50-N98 HydrophobicContact CG-CB 4.23Å
51Y97.3Very high97.6Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-61.7-43.8-173.3-70.9-81.9000111.9K53 V54 Q55 Y93 G95 D97 F101 C102 P103 Y148 L149 F152Y51-K53 VanDerWaalsContact C-N 3.3Å; Y51-K53 PolarHBondContact O-N 2.9Å; Y51-V54 PolarHBondContact O-N 3.28Å; Y51-Q55 WeakPolarHBondContact O-CG 3.37Å; Y51-Q55 PolarHBondContact O-N 3.22Å; Y51-Y93 HydrophobicContact CE1-CD1 4.3Å; Y51-Y93 HydrophobicContact CE1-CG 4.45Å; Y51-G95 WeakPolarHBondContact CE2-O 3.47Å; Y51-G95 PolarHBondContact OH-O 3.09Å; Y51-D97 HydrophobicContact CD2-CB 3.75Å; Y51-D97 WeakPolarHBondContact CD2-OD2 3.08Å; Y51-D97 HydrophobicContact CE2-CB 3.97Å; Y51-D97 PolarHBondContact N-OD2 2.73Å; Y51-F101 HydrophobicContact CD2-CD1 4.01Å; Y51-F101 HydrophobicContact CD2-CE1 4.41Å; Y51-F101 HydrophobicContact CG-CD1 4.4Å; Y51-F101 HydrophobicContact CG-CE1 4.46Å; Y51-C102 HydrophobicContact CE2-CB 4.44Å; Y51-P103 HydrophobicContact CD1-CG 4.04Å; Y51-P103 HydrophobicContact CE1-CG 4.38Å; Y51-P103 HydrophobicContact CG-CG 4.11Å; Y51-Y148 HydrophobicContact CE2-CE2 4.39Å; Y51-Y148 VanDerWaalsContact OH-CD2 3.29Å; Y51-Y148 WeakPolarHBondContact OH-CD2 3.48Å; Y51-L149 HydrophobicContact CD1-CD1 4.03Å; Y51-L149 HydrophobicContact CD1-CD2 3.78Å; Y51-L149 HydrophobicContact CD2-CD2 3.74Å; Y51-L149 HydrophobicContact CE1-CD1 4.42Å; Y51-L149 HydrophobicContact CE1-CD2 3.5Å; Y51-L149 VanDerWaalsContact CE1-CD2 3.5Å; Y51-L149 HydrophobicContact CE2-CD2 3.44Å; Y51-L149 VanDerWaalsContact CE2-CD2 3.44Å; Y51-L149 HydrophobicContact CG-CD1 4.24Å; Y51-L149 HydrophobicContact CG-CD2 3.9Å; Y51-F152 HydrophobicContact CD1-CB 4.16Å; Y51-F152 AromaticContact CD1-CD1 3.79Å; Y51-F152 HydrophobicContact CD1-CD1 3.79Å; Y51-F152 AromaticContact CD1-CD2 3.49Å; Y51-F152 HydrophobicContact CD1-CD2 3.49Å; Y51-F152 VanDerWaalsContact CD1-CD2 3.49Å; Y51-F152 AromaticContact CD1-CE1 3.99Å; Y51-F152 HydrophobicContact CD1-CE1 3.99Å; Y51-F152 AromaticContact CD1-CE2 3.66Å; Y51-F152 HydrophobicContact CD1-CE2 3.66Å; Y51-F152 AromaticContact CD1-CG 3.54Å; Y51-F152 HydrophobicContact CD1-CG 3.54Å; Y51-F152 AromaticContact CD1-CZ 3.93Å; Y51-F152 HydrophobicContact CD1-CZ 3.93Å; Y51-F152 HydrophobicContact CE1-CB 3.96Å; Y51-F152 HydrophobicContact CE1-CD1 4.45Å; Y51-F152 AromaticContact CE1-CD2 3.64Å; Y51-F152 HydrophobicContact CE1-CD2 3.64Å; Y51-F152 HydrophobicContact CE1-CE2 4.19Å; Y51-F152 AromaticContact CE1-CG 3.78Å; Y51-F152 HydrophobicContact CE1-CG 3.78Å
52Q96Very high97.5Very high118 Ų11842.1 Ų42.155%0.55122%0.219SC*.Hα-helixtrans-65.6-34.4-179.6-65.5-176.8-2400112.1E50 Q55 S56 F101E50-Q52 PolarHBondContact O-N 3.43Å; Q52-Q55 PolarHBondContact O-N 3.42Å; Q52-S56 PolarHBondContact O-N 2.92Å; Q52-S56 PolarHBondContact O-OG 3.22Å; Q52-S56 VanDerWaalsContact O-OG 3.09Å; Q52-F101 HydrophobicContact CG-CD1 4.22Å; Q52-F101 HydrophobicContact CG-CE1 4.01Å; Q52-F101 HydrophobicContact CG-CZ 4.41Å
53K97.5Very high97.4Very high103 Ų10348.5 Ų48.545%0.44825%0.245SC..Hα-helixtrans-68-41.9174.3-61.7-63.4-178.41780111.2P48 E50 Y51 Q55 S56 L57P48-K53 HydrophobicContact CB-CB 4.05Å; P48-K53 HydrophobicContact CB-CG 4.1Å; P48-K53 HydrophobicContact CG-CB 4.09Å; P48-K53 HydrophobicContact CG-CG 4.24Å; E50-K53 HydrophobicContact CB-CB 3.96Å; E50-K53 HydrophobicContact CB-CG 3.65Å; E50-K53 HydrophobicContact CG-CG 4.38Å; E50-K53 PolarHBondContact O-N 3.41Å; E50-K53 WeakPolarHBondContact OE2-CE 3.33Å; E50-K53 WeakPolarHBondContact OE2-CG 3.44Å; Y51-K53 VanDerWaalsContact C-N 3.3Å; Y51-K53 PolarHBondContact O-N 2.9Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 3.22Å; K53-S56 PolarHBondContact O-N 3.16Å; K53-S56 PolarHBondContact O-OG 3.41Å; K53-L57 WeakPolarHBondContact O-CB 3.36Å; K53-L57 PolarHBondContact O-N 2.82Å
54V97.3Very high97.3Very high0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-59.9-44.9174.1171.50000111.8V47 E50 Y51 S56 L57 V58 L149 F152 T153V47-V54 HydrophobicContact CG1-CG2 3.71Å; E50-V54 PolarHBondContact O-N 2.95Å; Y51-V54 PolarHBondContact O-N 3.28Å; V54-S56 PolarHBondContact O-N 2.87Å; V54-S56 VanDerWaalsContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.22Å; V54-V58 HydrophobicContact CG1-CG2 3.84Å; V54-V58 PolarHBondContact O-N 3.43Å; V54-L149 HydrophobicContact CB-CD1 4.45Å; V54-L149 HydrophobicContact CG2-CD1 3.68Å; V54-F152 HydrophobicContact CB-CD1 4.33Å; V54-F152 HydrophobicContact CB-CE1 4.37Å; V54-F152 HydrophobicContact CG1-CD1 3.86Å; V54-F152 HydrophobicContact CG1-CE1 4.07Å; V54-T153 HydrophobicContact CG1-CG2 4.14Å; V54-T153 WeakPolarHBondContact CG1-OG1 3.32Å; V54-T153 WeakPolarHBondContact CG2-OG1 3.23Å
55Q95.4Very high97.2Very high94 Ų9452.8 Ų52.844%0.43926%0.264SS..Hα-helixtrans-60.6-22.9179.1-75179.9-28.600113.8Y51 Q52 K53 P59 F152Y51-Q55 WeakPolarHBondContact O-CG 3.37Å; Y51-Q55 PolarHBondContact O-N 3.22Å; Q52-Q55 PolarHBondContact O-N 3.42Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 3.22Å; Q55-P59 WeakPolarHBondContact O-CD 3.41Å; Q55-P59 VanDerWaalsContact O-CG 3.23Å; Q55-P59 WeakPolarHBondContact O-CG 3.27Å; Q55-F152 HydrophobicContact CG-CE1 3.82Å; Q55-F152 HydrophobicContact CG-CZ 3.84Å
56S97.1Very high97Very high72 Ų7257.4 Ų57.450%0.50329%0.285SS..Hα-helixtrans-99.4-40.4177.549.20000112.7Q52 K53 V54 S60Q52-S56 PolarHBondContact O-N 2.92Å; Q52-S56 PolarHBondContact O-OG 3.22Å; Q52-S56 VanDerWaalsContact O-OG 3.09Å; K53-S56 PolarHBondContact O-N 3.16Å; K53-S56 PolarHBondContact O-OG 3.41Å; V54-S56 PolarHBondContact O-N 2.87Å; V54-S56 VanDerWaalsContact O-N 3.14Å; S56-S60 WeakPolarHBondContact O-CB 3.41Å; S56-S60 PolarHBondContact O-N 3Å
57L98.2Very high96.9Very high35 Ų3553.3 Ų53.318%0.18327%0.266CS..Hα-helixtrans-71.1-47.6-177178.262.2000112.2V47 K53 V54 S60 L61V47-L57 HydrophobicContact CB-CD2 4.31Å; V47-L57 HydrophobicContact CG1-CD2 4.34Å; V47-L57 HydrophobicContact CG2-CD2 3.83Å; K53-L57 WeakPolarHBondContact O-CB 3.36Å; K53-L57 PolarHBondContact O-N 2.82Å; V54-L57 PolarHBondContact O-N 3.22Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 VanDerWaalsContact O-N 3.11Å; L57-S60 PolarHBondContact O-OG 3.17Å; L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD1-CD2 4.22Å; L57-L61 HydrophobicContact CD1-CG 4.05Å; L57-L61 HydrophobicContact CG-CD1 4.09Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.02Å
58V97.9Very high96.8Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-61.7-46.9-176175.90000111.8V54 S60 L61 W62 T153 T156 L160V54-V58 HydrophobicContact CG1-CG2 3.84Å; V54-V58 PolarHBondContact O-N 3.43Å; V58-S60 VanDerWaalsContact C-N 3.3Å; V58-S60 PolarHBondContact O-N 2.69Å; V58-L61 PolarHBondContact O-N 3Å; V58-W62 VanDerWaalsContact O-CD1 3.31Å; V58-W62 PolarHBondContact O-N 3.34Å; V58-T153 HydrophobicContact CG2-CG2 3.94Å; V58-T156 HydrophobicContact CB-CG2 4.16Å; V58-T156 HydrophobicContact CG1-CG2 4.12Å; V58-L160 HydrophobicContact CG1-CD1 4.1Å
59P97.8Very high96.8Very high48 Ų4852.7 Ų52.731%0.31226%0.257SS..Hα-helixtrans-60.2-36.9173.1-23.332.7000113.9Q55 W62 K63 L160Q55-P59 WeakPolarHBondContact O-CD 3.41Å; Q55-P59 VanDerWaalsContact O-CG 3.23Å; Q55-P59 WeakPolarHBondContact O-CG 3.27Å; P59-W62 PolarHBondContact O-N 2.96Å; P59-K63 WeakPolarHBondContact O-CB 3.25Å; P59-K63 PolarHBondContact O-N 3.24Å; P59-L160 HydrophobicContact CB-CD1 4.25Å; P59-L160 HydrophobicContact CG-CD1 3.76Å
60S98.3Very high96.8Very high48 Ų4852.4 Ų52.434%0.33626%0.256SS..Hα-helixtrans-68.2-38.2-179.3760000111.7S56 L57 V58 K63 Q64S56-S60 WeakPolarHBondContact O-CB 3.41Å; S56-S60 PolarHBondContact O-N 3Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 VanDerWaalsContact O-N 3.11Å; L57-S60 PolarHBondContact O-OG 3.17Å; V58-S60 VanDerWaalsContact C-N 3.3Å; V58-S60 PolarHBondContact O-N 2.69Å; S60-K63 PolarHBondContact O-N 3.13Å; S60-Q64 WeakPolarHBondContact O-CB 3.2Å; S60-Q64 PolarHBondContact O-N 3.39Å
61L97.9Very high96.9Very high1 Ų150.4 Ų50.41%0.00525%0.246CC..Hα-helixtrans-60.6-46.3173.9-65.3174.3000111.5V9 T11 H45 L57 V58 K63 F65 I70V9-L61 HydrophobicContact CG1-CD1 4.12Å; V9-L61 HydrophobicContact CG1-CD2 4.32Å; T11-L61 HydrophobicContact CG2-CD1 3.97Å; H45-L61 HydrophobicContact CB-CD2 4.41Å; L57-L61 HydrophobicContact CD1-CD1 4.25Å; L57-L61 HydrophobicContact CD1-CD2 4.22Å; L57-L61 HydrophobicContact CD1-CG 4.05Å; L57-L61 HydrophobicContact CG-CD1 4.09Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.02Å; V58-L61 PolarHBondContact O-N 3Å; L61-K63 PolarHBondContact O-N 3.43Å; L61-F65 HydrophobicContact CD2-CD2 4.15Å; L61-F65 HydrophobicContact CD2-CE2 3.78Å; L61-F65 WeakPolarHBondContact O-CD2 3.24Å; L61-F65 PolarHBondContact O-N 3.06Å; L61-F65 VanDerWaalsContact O-N 3.08Å; L61-I70 HydrophobicContact CB-CD1 3.99Å
62W96.1Very high97Very high27 Ų2750.4 Ų50.410%0.10225%0.246CC..Hα-helixtrans-61-43.9175.5-82.4108.1000112.3V58 P59 H66 P67 I70 S157 S161 R164 S165V58-W62 VanDerWaalsContact O-CD1 3.31Å; V58-W62 PolarHBondContact O-N 3.34Å; P59-W62 PolarHBondContact O-N 2.96Å; W62-H66 WeakPolarHBondContact O-CA 3.4Å; W62-H66 PolarHBondContact O-N 3.03Å; W62-H66 VanDerWaalsContact O-N 3.14Å; W62-P67 HydrophobicContact CD2-CG 4.18Å; W62-P67 HydrophobicContact CE3-CG 3.68Å; W62-P67 HydrophobicContact CH2-CG 4.22Å; W62-P67 HydrophobicContact CZ3-CG 3.73Å; W62-P67 VanDerWaalsContact CZ3-O 3.25Å; W62-P67 WeakPolarHBondContact CZ3-O 3.43Å; W62-I70 HydrophobicContact CD2-CD1 3.76Å; W62-I70 HydrophobicContact CD2-CG1 4.19Å; W62-I70 VanDerWaalsContact CE2-CD1 3.41Å; W62-I70 HydrophobicContact CG-CD1 3.88Å; W62-I70 HydrophobicContact CH2-CG1 3.98Å; W62-I70 HydrophobicContact CZ2-CB 3.91Å; W62-I70 HydrophobicContact CZ2-CD1 3.87Å; W62-I70 HydrophobicContact CZ2-CG1 3.47Å; W62-I70 VanDerWaalsContact CZ2-CG1 3.47Å; W62-S157 PolarHBondContact NE1-OG 2.81Å; W62-S161 VanDerWaalsContact CH2-CB 3.43Å; W62-R164 HydrophobicContact CH2-CB 4.09Å; W62-R164 WeakPolarHBondContact CH2-O 3.21Å; W62-R164 WeakPolarHBondContact CZ2-O 3.48Å; W62-S165 WeakPolarHBondContact CZ2-OG 3.47Å
63K95.9Very high97.1Very high167 Ų16744.8 Ų44.873%0.72622%0.22SC*.Hα-helixtrans-70.9-37.5-179.1-174.5-178.6179.1-177.90113.2P59 S60 L61 H66P59-K63 WeakPolarHBondContact O-CB 3.25Å; P59-K63 PolarHBondContact O-N 3.24Å; S60-K63 PolarHBondContact O-N 3.13Å; L61-K63 PolarHBondContact O-N 3.43Å; K63-H66 PolarHBondContact O-CE1 3.48Å; K63-H66 PolarHBondContact O-ND1 2.94Å
64Q96.3Very high97.1Very high127 Ų12739.9 Ų39.959%0.59320%0.199SC*.Hα-helixtrans-76.9-49.8-175.8177.9175.9-12.900111.1S60S60-Q64 WeakPolarHBondContact O-CB 3.2Å; S60-Q64 PolarHBondContact O-N 3.39Å
65F96Very high97.1Very high31 Ų3142.2 Ų42.214%0.13621%0.213CC..Hα-helixtrans-97.1-13.1-168.7-62.4-68.8000113.8T7 V9 H43 H45 L61 P67T7-F65 HydrophobicContact CG2-CB 3.98Å; V9-F65 HydrophobicContact CG2-CB 4.02Å; V9-F65 HydrophobicContact CG2-CD2 3.87Å; V9-F65 HydrophobicContact CG2-CG 4.1Å; H43-F65 HydrophobicContact CB-CE1 4.33Å; H43-F65 HydrophobicContact CB-CZ 4.34Å; H43-F65 AromaticContact CD2-CD1 3.74Å; H43-F65 AromaticContact CD2-CE1 3.97Å; H43-F65 AromaticContact CE1-CD1 3.93Å; H43-F65 AromaticContact CE1-CE1 3.59Å; H43-F65 AromaticContact CG-CD1 3.79Å; H43-F65 AromaticContact CG-CE1 3.59Å; H43-F65 AromaticContact ND1-CD1 3.93Å; H43-F65 AromaticContact ND1-CE1 3.34Å; H43-F65 VanDerWaalsContact ND1-CE1 3.34Å; H43-F65 WeakPolarHBondContact ND1-CE1 3.31Å; H43-F65 AromaticContact ND1-CZ 3.9Å; H43-F65 AromaticContact NE2-CD1 3.82Å; H43-F65 AromaticContact NE2-CE1 3.96Å; H45-F65 AromaticContact NE2-CE2 3.39Å; H45-F65 WeakPolarHBondContact NE2-CE2 3.45Å; H45-F65 AromaticContact NE2-CZ 3.57Å; L61-F65 HydrophobicContact CD2-CD2 4.15Å; L61-F65 HydrophobicContact CD2-CE2 3.78Å; L61-F65 WeakPolarHBondContact O-CD2 3.24Å; L61-F65 PolarHBondContact O-N 3.06Å; L61-F65 VanDerWaalsContact O-N 3.08Å; F65-P67 VanDerWaalsContact C-CD 3.45Å
66H94.7Very high97Very high149 Ų14939.6 Ų39.669%0.6921%0.205SC*.  trans42.747.8-172-59.684.1000112.5W62 K63W62-H66 WeakPolarHBondContact O-CA 3.4Å; W62-H66 PolarHBondContact O-N 3.03Å; W62-H66 VanDerWaalsContact O-N 3.14Å; K63-H66 PolarHBondContact O-CE1 3.48Å; K63-H66 PolarHBondContact O-ND1 2.94Å
67P96.3Very high96.6Very high1 Ų139.4 Ų39.41%0.00621%0.214CC..  trans-67152.2-165.527.8-32.5000111.5T7 V9 W62 F65 L69 I70T7-P67 HydrophobicContact CG2-CB 4.39Å; T7-P67 CarbonylContact O-C 3.6Å; T7-P67 WeakPolarHBondContact O-CA 3.32Å; T7-P67 WeakPolarHBondContact O-CB 3.4Å; V9-P67 HydrophobicContact CG2-CB 4Å; V9-P67 HydrophobicContact CG2-CG 4.11Å; W62-P67 HydrophobicContact CD2-CG 4.18Å; W62-P67 HydrophobicContact CE3-CG 3.68Å; W62-P67 HydrophobicContact CH2-CG 4.22Å; W62-P67 HydrophobicContact CZ3-CG 3.73Å; W62-P67 VanDerWaalsContact CZ3-O 3.25Å; W62-P67 WeakPolarHBondContact CZ3-O 3.43Å; F65-P67 VanDerWaalsContact C-CD 3.45Å; P67-L69 VanDerWaalsContact C-N 3.29Å; P67-I70 HydrophobicContact CB-CG1 4.17Å; P67-I70 HydrophobicContact CG-CD1 3.72Å; P67-I70 HydrophobicContact CG-CG1 3.44Å; P67-I70 VanDerWaalsContact CG-CG1 3.44Å
68R94.9Very high96.1Very high37 Ų3746.2 Ų46.214%0.1425%0.247CC..SBendtrans-66-38.8167.4-178.3177.9178.582.8-9.4110.5T7 L197 D198 E201T7-R68 PolarHBondContact O-N 3.47Å; R68-L197 VanDerWaalsContact NH2-C 3.34Å; R68-L197 PolarHBondContact NH2-O 3.45Å; R68-D198 IonicContact CZ-OD1 3.19Å; R68-D198 IonicContact NE-OD1 2.66Å; R68-D198 IonicContact NH2-OD1 2.77Å; R68-D198 PolarHBondContact NH2-OD1 2.9Å; R68-E201 IonicContact CZ-OE1 3.58Å; R68-E201 IonicContact CZ-OE2 2.9Å; R68-E201 IonicContact NH1-OE1 3.67Å; R68-E201 PolarHBondContact NH1-OE1 3.38Å; R68-E201 IonicContact NH1-OE2 3.74Å; R68-E201 PolarHBondContact NH1-OE2 3.2Å; R68-E201 IonicContact NH2-OE1 2.71Å; R68-E201 PolarHBondContact NH2-OE1 3.09Å; R68-E201 IonicContact NH2-OE2 3.82Å; R68-E201 PolarHBondContact NH2-OE2 3.41Å
69L96.9Very high95.7Very high0 Ų046.9 Ų46.90%025%0.253CS..EExtended strand (participates in β ladder)trans-148.8136.4-176.9178.759.1000110.6V8 V9 P67 V71 I120 M193 L194 L197V8-L69 WeakPolarHBondContact CA-O 3.47Å; V9-L69 PolarHBondContact N-O 3.27Å; V9-L69 VanDerWaalsContact N-O 3.11Å; P67-L69 VanDerWaalsContact C-N 3.29Å; L69-V71 HydrophobicContact CD1-CG2 4.41Å; L69-V71 HydrophobicContact CD2-CG2 3.66Å; L69-V71 HydrophobicContact CG-CG2 3.73Å; L69-I120 HydrophobicContact CD1-CD1 3.48Å; L69-I120 VanDerWaalsContact CD1-CD1 3.48Å; L69-I120 HydrophobicContact CD2-CD1 3.85Å; L69-I120 HydrophobicContact CG-CD1 4.32Å; L69-M193 HydrophobicContact CD2-CB 4.06Å; L69-M193 HydrophobicContact CD2-SD 4.29Å; L69-L194 HydrophobicContact CD2-CD2 4.45Å; L69-L197 HydrophobicContact CB-CD1 4.42Å; L69-L197 HydrophobicContact CD2-CD1 4.25Å
70I98.6Very high95.6Very high0 Ų049.2 Ų49.20%027%0.267CS..EExtended strand (participates in β ladder)trans-108.1128.5161.6-54.2-164.4000109.5V9 L61 W62 P67 H72 S165 A166V9-I70 HydrophobicContact CB-CB 4.47Å; V9-I70 HydrophobicContact CB-CD1 4.21Å; V9-I70 HydrophobicContact CB-CG1 3.97Å; V9-I70 HydrophobicContact CB-CG2 4.19Å; V9-I70 HydrophobicContact CG1-CG2 4.3Å; V9-I70 HydrophobicContact CG2-CD1 4.5Å; V9-I70 HydrophobicContact CG2-CG1 4.46Å; V9-I70 CarbonylContact O-C 3.38Å; V9-I70 VanDerWaalsContact O-CA 3.28Å; V9-I70 WeakPolarHBondContact O-CA 3.38Å; L61-I70 HydrophobicContact CB-CD1 3.99Å; W62-I70 HydrophobicContact CD2-CD1 3.76Å; W62-I70 HydrophobicContact CD2-CG1 4.19Å; W62-I70 VanDerWaalsContact CE2-CD1 3.41Å; W62-I70 HydrophobicContact CG-CD1 3.88Å; W62-I70 HydrophobicContact CH2-CG1 3.98Å; W62-I70 HydrophobicContact CZ2-CB 3.91Å; W62-I70 HydrophobicContact CZ2-CD1 3.87Å; W62-I70 HydrophobicContact CZ2-CG1 3.47Å; W62-I70 VanDerWaalsContact CZ2-CG1 3.47Å; P67-I70 HydrophobicContact CB-CG1 4.17Å; P67-I70 HydrophobicContact CG-CD1 3.72Å; P67-I70 HydrophobicContact CG-CG1 3.44Å; P67-I70 VanDerWaalsContact CG-CG1 3.44Å; I70-H72 VanDerWaalsContact CG2-CE1 3.42Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.44Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.37Å; I70-S165 WeakPolarHBondContact O-CA 3.49Å; I70-A166 PolarHBondContact O-N 3.25Å
71V98.8Very high95.5Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-113.7115.6175.7-173.50000109.1V9 V10 T11 L69 A166 I168 I190 M193V9-V71 PolarHBondContact O-N 3.06Å; V10-V71 CarbonylContact C-O 3.59Å; V10-V71 VanDerWaalsContact CA-O 3.25Å; V10-V71 WeakPolarHBondContact CA-O 3.49Å; V10-V71 HydrophobicContact CG1-CB 4.41Å; V10-V71 HydrophobicContact CG2-CB 4.41Å; T11-V71 PolarHBondContact N-O 2.99Å; L69-V71 HydrophobicContact CD1-CG2 4.41Å; L69-V71 HydrophobicContact CD2-CG2 3.66Å; L69-V71 HydrophobicContact CG-CG2 3.73Å; V71-A166 HydrophobicContact CG1-CB 4.3Å; V71-A166 HydrophobicContact CG2-CB 4.27Å; V71-I168 HydrophobicContact CG1-CD1 3.63Å; V71-I168 HydrophobicContact CG1-CG1 4.03Å; V71-I190 HydrophobicContact CB-CD1 4.27Å; V71-I190 HydrophobicContact CB-CG1 4.47Å; V71-I190 HydrophobicContact CG1-CD1 4.18Å; V71-I190 HydrophobicContact CG1-CG1 4.21Å; V71-I190 HydrophobicContact CG2-CD1 4.33Å; V71-I190 HydrophobicContact CG2-CG1 4.13Å; V71-I190 HydrophobicContact CG2-CG2 4.48Å; V71-M193 HydrophobicContact CG2-SD 4.26Å
72H98.9Very high95.5Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-94.9136.4175.8-61.4-71.3000109.8T11 I70 T153 S157 A166 F167 I168T11-H72 PolarHBondContact OG1-ND1 3.48Å; I70-H72 VanDerWaalsContact CG2-CE1 3.42Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.44Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.37Å; H72-T153 HydrophobicContact CB-CG2 4.46Å; H72-S157 WeakPolarHBondContact NE2-CB 3.26Å; H72-S157 PolarHBondContact NE2-OG 2.82Å; H72-A166 PolarHBondContact N-O 3.15Å; H72-F167 HydrophobicContact CB-CD2 3.4Å; H72-F167 HydrophobicContact CB-CE2 3.67Å; H72-F167 HydrophobicContact CB-CG 4.3Å; H72-F167 CarbonylContact O-C 3.52Å; H72-F167 VanDerWaalsContact O-CA 3.28Å; H72-F167 WeakPolarHBondContact O-CA 3.34Å; H72-I168 PolarHBondContact O-N 3.14Å
73V98.8Very high95.6Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-118.4128.2179.2-169.50000108.7V10 T11 F13 S24 V28 I168 V170 L186V10-V73 HydrophobicContact CG1-CG2 4.01Å; T11-V73 WeakPolarHBondContact O-CA 3.39Å; T11-V73 WeakPolarHBondContact O-CB 3.47Å; T11-V73 PolarHBondContact O-N 3.46Å; F13-V73 WeakPolarHBondContact CD2-O 3.4Å; S24-V73 VanDerWaalsContact CB-O 3.23Å; S24-V73 WeakPolarHBondContact CB-O 3.17Å; S24-V73 PolarHBondContact OG-O 2.79Å; V28-V73 HydrophobicContact CG2-CB 3.88Å; V28-V73 HydrophobicContact CG2-CG1 4.48Å; V28-V73 HydrophobicContact CG2-CG2 3.66Å; V73-I168 CarbonylContact C-O 3.57Å; V73-I168 VanDerWaalsContact CA-O 3.28Å; V73-I168 WeakPolarHBondContact CA-O 3.23Å; V73-V170 HydrophobicContact CG1-CG1 3.76Å; V73-V170 HydrophobicContact CG1-CG2 4.19Å; V73-L186 HydrophobicContact CG1-CD1 4.19Å; V73-L186 HydrophobicContact CG1-CD2 4.14Å; V73-L186 HydrophobicContact CG2-CD1 4.1Å; V73-L186 HydrophobicContact CG2-CD2 3.93Å
74G98.1Very high95.7Very high0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-124.8154.3175.800000111.6I168 H169 V170G74-I168 PolarHBondContact N-O 2.83Å; G74-H169 CarbonylContact O-C 3.54Å; G74-H169 VanDerWaalsContact O-CA 3.28Å; G74-H169 WeakPolarHBondContact O-CA 3.28Å; G74-V170 PolarHBondContact O-N 3.47Å
75V96.6Very high95.8Very high49 Ų4934 Ų3430%0.29720%0.197SC..EExtended strand (participates in β ladder)trans-88.4136.2170.562.90000109.4N22 A23 V170N22-V75 VanDerWaalsContact OD1-CG1 3.32Å; N22-V75 WeakPolarHBondContact OD1-CG1 3.34Å; A23-V75 HydrophobicContact CB-CB 4.09Å; A23-V75 HydrophobicContact CB-CG2 3.72Å; V75-V170 WeakPolarHBondContact CA-O 3.45Å
76S93.8Very high95.9Very high39 Ų3934.7 Ų34.727%0.27320%0.2SC..  trans-113.1117.2166.6172.50000109.1M78 A79 V170 P172S76-M78 PolarHBondContact O-N 3.35Å; S76-M78 VanDerWaalsContact O-N 3.12Å; S76-A79 PolarHBondContact O-N 2.87Å; S76-A79 VanDerWaalsContact O-N 3.11Å; S76-V170 PolarHBondContact N-O 3.34Å; S76-P172 WeakPolarHBondContact O-CD 3.31Å
77G88.8Confident96Very high68 Ų6827.8 Ų27.870%0.70117%0.169SC*.THydrogen-bonded Turntrans-61.7-21.1-175.800000114.6
78M87.4Confident96.1Very high178 Ų17827.8 Ų27.888%0.87717%0.168SC*.THydrogen-bonded Turntrans-102.6-9.3179.8-62.2-176.267.400113.2S76S76-M78 PolarHBondContact O-N 3.35Å; S76-M78 VanDerWaalsContact O-N 3.12Å
79A89.5Confident96.3Very high15 Ų1530.1 Ų30.112%0.12418%0.177CC..  trans-69.5141-178.300000110.5S76 P171S76-A79 PolarHBondContact O-N 2.87Å; S76-A79 VanDerWaalsContact O-N 3.11Å; A79-P171 HydrophobicContact CB-CB 4.21Å; A79-P171 WeakPolarHBondContact O-CB 3.33Å
80T94.1Very high96.3Very high97 Ų9730.2 Ų30.260%0.59518%0.178SC*.SBendtrans-116.4-3.2170.654.60000111.9P176T80-P176 WeakPolarHBondContact O-CD 3.13Å; T80-P176 WeakPolarHBondContact O-CG 3.45Å
81T96.8Very high96.2Very high29 Ų2934.3 Ų34.318%0.17820%0.197CC..SBendtrans-132.5162.3179.672.30000109.1A138 T140T81-A138 WeakPolarHBondContact CB-O 3.12Å; T81-A138 HydrophobicContact CG2-CB 3.76Å; T81-T140 HydrophobicContact CG2-CG2 4.24Å; T81-T140 PolarHBondContact OG1-OG1 3.47Å
82V98.3Very high96Very high0 Ų035.8 Ų35.80%021%0.212CC..EExtended strand (participates in β ladder)trans-79.6124.1167.9175.90000108.3V137 A138 V139 T140 I168 H169 V170 L182 A185 I189V82-V137 HydrophobicContact CB-CG1 4.26Å; V82-V137 HydrophobicContact CG2-CG1 3.52Å; V82-A138 PolarHBondContact N-O 2.57Å; V82-V139 HydrophobicContact CB-CG2 4.43Å; V82-V139 CarbonylContact O-C 3.54Å; V82-V139 WeakPolarHBondContact O-CA 3.32Å; V82-T140 PolarHBondContact O-N 3.03Å; V82-I168 HydrophobicContact CG1-CG2 3.38Å; V82-H169 CarbonylContact C-O 3.54Å; V82-H169 WeakPolarHBondContact CA-O 3.46Å; V82-V170 HydrophobicContact CG2-CG1 4.43Å; V82-L182 HydrophobicContact CG2-CD2 3.77Å; V82-A185 HydrophobicContact CG2-CB 4.33Å; V82-I189 HydrophobicContact CG1-CD1 3.61Å
83T98.4Very high95.9Very high17 Ų1735.8 Ų35.810%0.10421%0.212CC..EExtended strand (participates in β ladder)trans-113.1127-172.1-51.90000111T140 I168 H169T83-T140 CarbonylContact C-O 3.58Å; T83-T140 WeakPolarHBondContact CA-O 3.33Å; T83-T140 PolarHBondContact OG1-OG1 2.96Å; T83-I168 CarbonylContact O-C 3.5Å; T83-I168 VanDerWaalsContact O-CA 3.32Å; T83-I168 WeakPolarHBondContact O-CA 3.37Å; T83-H169 PolarHBondContact N-O 3.07Å; T83-H169 PolarHBondContact O-N 3.49Å
84L98.6Very high95.7Very high0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-92.7117.7175-48.7-175.2000109.9M122 V125 C126 V139 T140 V141 S142 I168 I189 M193L84-M122 HydrophobicContact CB-CB 4.1Å; L84-M122 HydrophobicContact CB-CG 4.32Å; L84-M122 HydrophobicContact CB-SD 4.12Å; L84-V125 HydrophobicContact CD1-CB 3.96Å; L84-V125 HydrophobicContact CD1-CG1 3.63Å; L84-C126 HydrophobicContact CD1-CB 4.13Å; L84-V139 HydrophobicContact CD1-CG1 4.05Å; L84-V139 HydrophobicContact CD2-CG1 4.2Å; L84-V139 HydrophobicContact CG-CG1 3.88Å; L84-T140 PolarHBondContact N-O 3.47Å; L84-V141 HydrophobicContact CB-CG1 4.39Å; L84-V141 CarbonylContact O-C 3.56Å; L84-V141 WeakPolarHBondContact O-CA 3.45Å; L84-S142 PolarHBondContact O-N 2.78Å; L84-I168 HydrophobicContact CD2-CD1 4.27Å; L84-I168 HydrophobicContact CD2-CG1 3.89Å; L84-I168 HydrophobicContact CD2-CG2 4.27Å; L84-I189 HydrophobicContact CD1-CG2 4.44Å; L84-I189 HydrophobicContact CD2-CD1 3.98Å; L84-I189 HydrophobicContact CD2-CG1 4.35Å; L84-I189 HydrophobicContact CD2-CG2 3.64Å; L84-M193 HydrophobicContact CD2-CE 4.38Å
85E98.3Very high95.5Very high5 Ų544.6 Ų44.62%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-87124.5-177.6-58.4-63.3164.200111.5S142 D144 A145 Y154 F167 H169E85-S142 WeakPolarHBondContact OE2-CB 3.36Å; E85-S142 PolarHBondContact OE2-OG 2.96Å; E85-D144 PolarHBondContact OE2-N 2.9Å; E85-A145 HydrophobicContact CB-CB 4.16Å; E85-A145 HydrophobicContact CG-CB 3.75Å; E85-A145 PolarHBondContact OE2-N 2.82Å; E85-Y154 HydrophobicContact CB-CD1 4.26Å; E85-Y154 HydrophobicContact CB-CE1 3.72Å; E85-Y154 PolarHBondContact O-OH 2.9Å; E85-F167 HydrophobicContact CB-CB 4.11Å; E85-F167 HydrophobicContact CG-CB 4.3Å; E85-F167 HydrophobicContact CG-CD1 3.93Å; E85-F167 PolarHBondContact N-O 2.83Å; E85-H169 IonicContact OE1-CE1 2.85Å; E85-H169 IonicContact OE1-CG 3.93Å; E85-H169 IonicContact OE1-ND1 3.04Å; E85-H169 PolarHBondContact OE1-ND1 2.77Å
86K97.9Very high95.5Very high45 Ų4547.3 Ų47.320%0.19627%0.271CS..  trans-77.1-32.3-177.2-67178.673.7159.50113N117 S118 M122 E123 V141 S142 K143K86-N117 WeakPolarHBondContact O-CA 3.38Å; K86-S118 PolarHBondContact O-N 3.36Å; K86-M122 HydrophobicContact CG-CB 3.98Å; K86-M122 HydrophobicContact CG-CG 4.19Å; K86-E123 IonicContact NZ-OE1 3.36Å; K86-E123 PolarHBondContact NZ-OE1 3.47Å; K86-V141 HydrophobicContact CD-CB 4.44Å; K86-S142 WeakPolarHBondContact CB-O 3.33Å; K86-S142 VanDerWaalsContact CG-O 3.27Å; K86-S142 WeakPolarHBondContact CG-O 3.5Å; K86-S142 PolarHBondContact N-O 3.14Å; K86-K143 HydrophobicContact CB-CG 4.29Å; K86-K143 HydrophobicContact CD-CG 3.97Å
87C97.1Very high95.6Very high4 Ų446 Ų463%0.02726%0.261CS..EExtended strand (participates in β ladder)trans-149.4153.4-176.161.80000113.6C115 I116 N117 K143 Y154C87-C115 WeakPolarHBondContact CB-SG 3.16Å; C87-C115 PolarHBondContact SG-SG 2.82Å; C87-I116 CarbonylContact C-O 3.56Å; C87-I116 WeakPolarHBondContact CA-O 3.5Å; C87-I116 WeakPolarHBondContact CB-O 3.42Å; C87-N117 WeakPolarHBondContact CB-OD1 3.28Å; C87-K143 PolarHBondContact SG-O 3.44Å; C87-Y154 WeakPolarHBondContact O-CE1 3.16Å
88G97.8Very high95.8Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-100.1153.4167.800000110.9C115 I116 D151G88-C115 WeakPolarHBondContact O-CA 3.36Å; G88-I116 PolarHBondContact N-O 3.24Å; G88-I116 PolarHBondContact O-N 2.95Å; G88-I116 VanDerWaalsContact O-N 3.09Å; G88-D151 VanDerWaalsContact CA-OD1 3.27Å; G88-D151 WeakPolarHBondContact CA-OD1 3.34Å
89R97.9Very high96.2Very high87 Ų8740.9 Ų40.933%0.32823%0.227SC..EExtended strand (participates in β ladder)trans-110.7145.7179.4-62.6-67.5-164.6133.46.2111.1Y93 D114 D151 Y155R89-Y93 PolarHBondContact O-OH 3.46Å; R89-D114 WeakPolarHBondContact CA-O 3.41Å; R89-D151 PolarHBondContact N-OD1 2.97Å; R89-D151 PolarHBondContact N-OD2 3.18Å; R89-D151 VanDerWaalsContact O-OD2 3.05Å; R89-Y155 VanDerWaalsContact O-CD2 3.31Å; R89-Y155 WeakPolarHBondContact O-CD2 3.39Å
90N97.8Very high96.5Very high1 Ų144.7 Ų44.71%0.00525%0.252CS..SBendtrans-87.2-19.4-178.3-163.319.4000113.5Y93 C107 C108 I109 G112 P113 D114 Y155N90-Y93 WeakPolarHBondContact O-CE2 3.4Å; N90-C107 CarbonylContact O-C 3.53Å; N90-C107 WeakPolarHBondContact O-CA 3.45Å; N90-C107 VanDerWaalsContact O-CB 3.26Å; N90-C107 WeakPolarHBondContact O-CB 3.39Å; N90-C108 PolarHBondContact O-N 2.95Å; N90-C108 WeakPolarHBondContact OD1-CB 3.44Å; N90-C108 PolarHBondContact OD1-N 3.4Å; N90-C108 VanDerWaalsContact OD1-N 3.14Å; N90-I109 PolarHBondContact ND2-O 2.98Å; N90-I109 PolarHBondContact OD1-N 3.36Å; N90-I109 PolarHBondContact OD1-O 3.46Å; N90-G112 PolarHBondContact ND2-O 3.25Å; N90-P113 WeakPolarHBondContact CB-O 3.34Å; N90-D114 PolarHBondContact N-O 2.89Å; N90-Y155 HydrophobicContact CB-CD2 4.2Å; N90-Y155 HydrophobicContact CB-CE1 4.08Å; N90-Y155 HydrophobicContact CB-CE2 3.48Å; N90-Y155 VanDerWaalsContact CB-CE2 3.48Å; N90-Y155 VanDerWaalsContact CB-CZ 3.41Å; N90-Y155 WeakPolarHBondContact CB-OH 3.15Å; N90-Y155 VanDerWaalsContact CG-CZ 3.41Å; N90-Y155 VanDerWaalsContact CG-OH 3.27Å; N90-Y155 PolarHBondContact ND2-OH 2.83Å; N90-Y155 VanDerWaalsContact OD1-CE1 3.29Å; N90-Y155 WeakPolarHBondContact OD1-CE1 3.32Å
91H96.7Very high96.5Very high87 Ų8743 Ų4340%0.40324%0.237SC..BIsolated β-bridgetrans-129.6151.7-165.3-66.8103.5000112.2Q106 C107 D114 R147H91-Q106 WeakPolarHBondContact CA-O 3.41Å; H91-C107 WeakPolarHBondContact CD2-CB 3.23Å; H91-D114 IonicContact CE1-OD1 3.69Å; H91-D114 PolarHBondContact CE1-OD1 2.9Å; H91-D114 IonicContact ND1-OD1 2.64Å; H91-D114 PolarHBondContact ND1-OD1 3.36Å; H91-R147 WeakPolarHBondContact O-CD 3.48Å; H91-R147 PolarHBondContact O-NE 3.48Å
92G94.9Very high96.4Very high31 Ų3142.6 Ų42.632%0.3224%0.235SC..  trans111.311.3170.700000114.8K94 Q106 R147G92-K94 PolarHBondContact O-N 2.88Å; G92-Q106 PolarHBondContact N-O 3.18Å; G92-R147 WeakPolarHBondContact O-CB 3.28Å
93Y96.1Very high96.1Very high0 Ų043.1 Ų43.10%024%0.239CC..  trans-72.4119.8177.8-54.2-70.5000110.6Y51 R89 N90 Q106 C108 D151 F152Y51-Y93 HydrophobicContact CE1-CD1 4.3Å; Y51-Y93 HydrophobicContact CE1-CG 4.45Å; R89-Y93 PolarHBondContact O-OH 3.46Å; N90-Y93 WeakPolarHBondContact O-CE2 3.4Å; Y93-Q106 PolarHBondContact N-O 3.5Å; Y93-C108 HydrophobicContact CE2-CB 3.64Å; Y93-D151 HydrophobicContact CE1-CB 4.3Å; Y93-D151 PolarHBondContact OH-OD2 3.08Å; Y93-F152 HydrophobicContact CD1-CB 4.26Å; Y93-F152 HydrophobicContact CD1-CD2 4.3Å; Y93-F152 HydrophobicContact CD2-CD2 4.03Å; Y93-F152 HydrophobicContact CE1-CB 3.69Å; Y93-F152 HydrophobicContact CE1-CD2 4.16Å; Y93-F152 HydrophobicContact CE1-CG 4.44Å; Y93-F152 AromaticContact CE2-CD2 3.84Å; Y93-F152 HydrophobicContact CE2-CD2 3.84Å; Y93-F152 HydrophobicContact CG-CD2 4.24Å; Y93-F152 AromaticContact CZ-CD2 3.9Å; Y93-F152 WeakPolarHBondContact OH-CA 3.49Å; Y93-F152 PolarHBondContact OH-N 3.35Å
94K94.6Very high95.7Very high154 Ų15449.9 Ų49.967%0.6727%0.274SS*.  trans-135.6-13.7179.3-62.5-177.7-179.5-178.70113.7G92 C102G92-K94 PolarHBondContact O-N 2.88Å; K94-C102 VanDerWaalsContact C-SG 3.55Å
95G94.5Very high95.3Very high31 Ų3153 Ų5332%0.3230%0.296SS..  trans-76.7133.3-179.800000110.9Y51 C102 Y148Y51-G95 WeakPolarHBondContact CE2-O 3.47Å; Y51-G95 PolarHBondContact OH-O 3.09Å; G95-C102 PolarHBondContact O-SG 3Å; G95-C102 VanDerWaalsContact O-SG 3.4Å; G95-Y148 WeakPolarHBondContact O-CE2 3.34Å
96L95.4Very high95Very high106 Ų10657.1 Ų57.156%0.55532%0.315SS*.  trans-69.2141.8171.4-61.1177.7000110.5F101 C102 Y148L96-F101 CarbonylContact C-O 3.55Å; L96-F101 WeakPolarHBondContact CA-O 3.26Å; L96-C102 HydrophobicContact CD2-CB 3.99Å; L96-Y148 WeakPolarHBondContact O-CE2 3.36Å; L96-Y148 PolarHBondContact O-OH 3.48Å
97D96Very high94.8Very high10 Ų1055.4 Ų55.45%0.05331%0.309CS..  trans-85.1-177.6173.874.612.2000112.9V49 E50 Y51 S99 S100 F101 Y148 L149V49-D97 WeakPolarHBondContact O-CB 3.3Å; E50-D97 VanDerWaalsContact CA-OD2 3.3Å; E50-D97 WeakPolarHBondContact CA-OD2 3.48Å; Y51-D97 HydrophobicContact CD2-CB 3.75Å; Y51-D97 WeakPolarHBondContact CD2-OD2 3.08Å; Y51-D97 HydrophobicContact CE2-CB 3.97Å; Y51-D97 PolarHBondContact N-OD2 2.73Å; D97-S99 PolarHBondContact O-N 2.92Å; D97-S99 VanDerWaalsContact O-N 3.12Å; D97-S99 VanDerWaalsContact OD1-CA 3.31Å; D97-S99 WeakPolarHBondContact OD1-CA 3.17Å; D97-S99 WeakPolarHBondContact OD1-CB 3.45Å; D97-S99 PolarHBondContact OD1-N 2.93Å; D97-S100 PolarHBondContact O-N 3.4Å; D97-S100 PolarHBondContact OD1-N 2.87Å; D97-F101 VanDerWaalsContact CG-O 3.27Å; D97-F101 PolarHBondContact N-O 3.05Å; D97-F101 WeakPolarHBondContact OD1-CB 3.4Å; D97-F101 PolarHBondContact OD1-N 3.11Å; D97-Y148 VanDerWaalsContact CA-OH 3.3Å; D97-Y148 WeakPolarHBondContact CA-OH 3.5Å; D97-L149 HydrophobicContact CB-CD2 4.15Å
98N94.5Very high94.7Very high69 Ų6955.5 Ų55.537%0.36931%0.309SS..THydrogen-bonded Turntrans-61.5-19.1179.3-78.8-14.5000113.3P15 F16 G17 V49 E50 S100P15-N98 PolarHBondContact O-ND2 2.91Å; F16-N98 WeakPolarHBondContact CD2-OD1 3.45Å; G17-N98 PolarHBondContact N-OD1 2.93Å; V49-N98 PolarHBondContact O-N 3.21Å; V49-N98 VanDerWaalsContact O-N 3.09Å; E50-N98 HydrophobicContact CG-CB 4.23Å; N98-S100 VanDerWaalsContact C-N 3.33Å
99S95Very high94.6Very high71 Ų7157.6 Ų57.650%0.49732%0.32SS..THydrogen-bonded Turntrans-95.914.8174.6-68.90000112.5D97 F101D97-S99 PolarHBondContact O-N 2.92Å; D97-S99 VanDerWaalsContact O-N 3.12Å; D97-S99 VanDerWaalsContact OD1-CA 3.31Å; D97-S99 WeakPolarHBondContact OD1-CA 3.17Å; D97-S99 WeakPolarHBondContact OD1-CB 3.45Å; D97-S99 PolarHBondContact OD1-N 2.93Å; S99-F101 PolarHBondContact O-N 3.09Å
100S95Very high94.5Very high94 Ų9459.3 Ų59.366%0.65734%0.34SS*.SBendtrans56.832.7-175.9-56.80000113D97 N98D97-S100 PolarHBondContact O-N 3.4Å; D97-S100 PolarHBondContact OD1-N 2.87Å; N98-S100 VanDerWaalsContact C-N 3.33Å
101F94.9Very high94.3Very high63 Ų6363 Ų6328%0.27638%0.378SS..  trans-111.4145.7-179.6173.9-95.1000111.6Y51 Q52 L96 D97 S99 P103Y51-F101 HydrophobicContact CD2-CD1 4.01Å; Y51-F101 HydrophobicContact CD2-CE1 4.41Å; Y51-F101 HydrophobicContact CG-CD1 4.4Å; Y51-F101 HydrophobicContact CG-CE1 4.46Å; Q52-F101 HydrophobicContact CG-CD1 4.22Å; Q52-F101 HydrophobicContact CG-CE1 4.01Å; Q52-F101 HydrophobicContact CG-CZ 4.41Å; L96-F101 CarbonylContact C-O 3.55Å; L96-F101 WeakPolarHBondContact CA-O 3.26Å; D97-F101 VanDerWaalsContact CG-O 3.27Å; D97-F101 PolarHBondContact N-O 3.05Å; D97-F101 WeakPolarHBondContact OD1-CB 3.4Å; D97-F101 PolarHBondContact OD1-N 3.11Å; S99-F101 PolarHBondContact O-N 3.09Å; F101-P103 HydrophobicContact CE1-CG 4.2Å
102C94.3Very high94.3Very high20 Ų2059.3 Ų59.314%0.13536%0.364CS..  trans-145.2142.1168.1-170.80000108.4Y51 K94 G95 L96 D104Y51-C102 HydrophobicContact CE2-CB 4.44Å; K94-C102 VanDerWaalsContact C-SG 3.55Å; G95-C102 PolarHBondContact O-SG 3Å; G95-C102 VanDerWaalsContact O-SG 3.4Å; L96-C102 HydrophobicContact CD2-CB 3.99Å; C102-D104 PolarHBondContact O-N 2.97Å
103P91.6Very high94.4Very high11 Ų1161 Ų617%0.07137%0.37CS..  trans-61.5124178.7-23.433.5000112.7Y51 F101 S105 Q106 F152Y51-P103 HydrophobicContact CD1-CG 4.04Å; Y51-P103 HydrophobicContact CE1-CG 4.38Å; Y51-P103 HydrophobicContact CG-CG 4.11Å; F101-P103 HydrophobicContact CE1-CG 4.2Å; P103-S105 PolarHBondContact O-N 2.74Å; P103-Q106 WeakPolarHBondContact O-CA 3.46Å; P103-Q106 PolarHBondContact O-N 3.23Å; P103-F152 HydrophobicContact CG-CE2 4.01Å
104D90.7Very high94.4Very high158 Ų15866 Ų6685%0.84540%0.396SS*.THydrogen-bonded Turntrans-58.7-33.1179.4-67.1-32.7000113.2C102 Q106C102-D104 PolarHBondContact O-N 2.97Å; D104-Q106 PolarHBondContact O-N 2.99Å
105S90.4Very high94.6Very high66 Ų6660.9 Ų60.946%0.46238%0.379SS..THydrogen-bonded Turntrans-67.3-11.7177.163.20000113.2P103 C107P103-S105 PolarHBondContact O-N 2.74Å; S105-C107 VanDerWaalsContact CB-SG 3.58Å; S105-C107 PolarHBondContact O-N 3.32Å; S105-C107 PolarHBondContact OG-N 2.71Å; S105-C107 PolarHBondContact OG-O 3.21Å; S105-C107 PolarHBondContact OG-SG 2.8Å
106Q91.4Very high94.7Very high91 Ų9160.7 Ų60.743%0.42537%0.37SS..SBendtrans51.620.7-171.1-57.41802900113.2H91 G92 Y93 P103 D104H91-Q106 WeakPolarHBondContact CA-O 3.41Å; G92-Q106 PolarHBondContact N-O 3.18Å; Y93-Q106 PolarHBondContact N-O 3.5Å; P103-Q106 WeakPolarHBondContact O-CA 3.46Å; P103-Q106 PolarHBondContact O-N 3.23Å; D104-Q106 PolarHBondContact O-N 2.99Å
107C94Very high94.8Very high9 Ų960.4 Ų60.46%0.06137%0.37CS..BIsolated β-bridgetrans-129.9156.2179.878.50000112.1N90 H91 S105N90-C107 CarbonylContact O-C 3.53Å; N90-C107 WeakPolarHBondContact O-CA 3.45Å; N90-C107 VanDerWaalsContact O-CB 3.26Å; N90-C107 WeakPolarHBondContact O-CB 3.39Å; H91-C107 WeakPolarHBondContact CD2-CB 3.23Å; S105-C107 VanDerWaalsContact CB-SG 3.58Å; S105-C107 PolarHBondContact O-N 3.32Å; S105-C107 PolarHBondContact OG-N 2.71Å; S105-C107 PolarHBondContact OG-O 3.21Å; S105-C107 PolarHBondContact OG-SG 2.8Å
108C95.1Very high94.9Very high7 Ų760.6 Ų60.65%0.04737%0.372CS..SBendtrans-78.8-52-179.7-173.10000111.2N90 Y93 F152 Y155 T156N90-C108 PolarHBondContact O-N 2.95Å; N90-C108 WeakPolarHBondContact OD1-CB 3.44Å; N90-C108 PolarHBondContact OD1-N 3.4Å; N90-C108 VanDerWaalsContact OD1-N 3.14Å; Y93-C108 HydrophobicContact CE2-CB 3.64Å; C108-F152 HydrophobicContact CB-CD2 3.81Å; C108-F152 HydrophobicContact CB-CE2 3.87Å; C108-Y155 HydrophobicContact CB-CD1 3.55Å; C108-Y155 HydrophobicContact CB-CE1 4.1Å; C108-Y155 HydrophobicContact CB-CG 4.19Å; C108-Y155 VanDerWaalsContact SG-CD1 3.6Å; C108-T156 PolarHBondContact SG-OG1 3.41Å
109I95.8Very high95Very high43 Ų4361.1 Ų61.122%0.22138%0.377CS..SBendtrans-129.1117.1179.7-57-65.2000109.1N90 G111 G112 Y155 Y159N90-I109 PolarHBondContact ND2-O 2.98Å; N90-I109 PolarHBondContact OD1-N 3.36Å; N90-I109 PolarHBondContact OD1-O 3.46Å; I109-G111 PolarHBondContact O-N 2.87Å; I109-G112 PolarHBondContact O-N 3.09Å; I109-Y155 HydrophobicContact CB-CE1 3.97Å; I109-Y155 HydrophobicContact CG1-CD1 4.15Å; I109-Y155 HydrophobicContact CG1-CE1 3.71Å; I109-Y159 HydrophobicContact CG1-CD1 4.21Å; I109-Y159 HydrophobicContact CG1-CG 4.24Å; I109-Y159 HydrophobicContact CG2-CD1 4.38Å; I109-Y159 HydrophobicContact CG2-CE1 4Å; I109-Y159 HydrophobicContact CG2-CE2 4.17Å
110V94.9Very high95.1Very high123 Ų12358.2 Ų58.275%0.74536%0.356SS*.THydrogen-bonded Turntrans-61.1124.7176178.40000109.8G112V110-G112 PolarHBondContact O-N 3.44Å
111G94.9Very high95.2Very high79 Ų7957.4 Ų57.481%0.81434%0.344SS*.THydrogen-bonded Turntrans76.92.4-176.700000114.9I109I109-G111 PolarHBondContact O-N 2.87Å
112G96.2Very high95.3Very high10 Ų1054.5 Ų54.510%0.10333%0.331CS..  trans-71.7155.917300000112.7N90 I109 V110N90-G112 PolarHBondContact ND2-O 3.25Å; I109-G112 PolarHBondContact O-N 3.09Å; V110-G112 PolarHBondContact O-N 3.44Å
113P97.3Very high95.5Very high67 Ų6757.7 Ų57.744%0.43534%0.344SS..  trans-62.7145.3177.728.1-36.9000111.9N90 C115 I116 Y155N90-P113 WeakPolarHBondContact CB-O 3.34Å; P113-C115 PolarHBondContact O-N 2.83Å; P113-I116 HydrophobicContact CG-CD1 3.74Å; P113-I116 HydrophobicContact CG-CG1 3.53Å; P113-Y155 VanDerWaalsContact CD-OH 3.28Å; P113-Y155 WeakPolarHBondContact CD-OH 3.35Å; P113-Y155 VanDerWaalsContact O-CE2 3.25Å; P113-Y155 WeakPolarHBondContact O-CE2 3.28Å; P113-Y155 VanDerWaalsContact O-CZ 3.3Å; P113-Y155 PolarHBondContact O-OH 2.89Å
114D96.9Very high95.8Very high105 Ų10559.1 Ų59.156%0.56136%0.355SS*.SBendtrans-57.8-28.2-176.6-75.6-34000115R89 N90 H91R89-D114 WeakPolarHBondContact CA-O 3.41Å; N90-D114 PolarHBondContact N-O 2.89Å; H91-D114 IonicContact CE1-OD1 3.69Å; H91-D114 PolarHBondContact CE1-OD1 2.9Å; H91-D114 IonicContact ND1-OD1 2.64Å; H91-D114 PolarHBondContact ND1-OD1 3.36Å
115C97.2Very high96.1Very high46 Ų4651.6 Ų51.631%0.31131%0.314SS..EExtended strand (participates in β ladder)trans-148.6135.5-175.3-175.90000109.3C87 G88 P113C87-C115 WeakPolarHBondContact CB-SG 3.16Å; C87-C115 PolarHBondContact SG-SG 2.82Å; G88-C115 WeakPolarHBondContact O-CA 3.36Å; P113-C115 PolarHBondContact O-N 2.83Å
116I98.1Very high96.5Very high26 Ų2649.2 Ų49.213%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-125.1127173.2-53.8174.8000107.8C87 G88 P113 Y155 L158 Y159C87-I116 CarbonylContact C-O 3.56Å; C87-I116 WeakPolarHBondContact CA-O 3.5Å; C87-I116 WeakPolarHBondContact CB-O 3.42Å; G88-I116 PolarHBondContact N-O 3.24Å; G88-I116 PolarHBondContact O-N 2.95Å; G88-I116 VanDerWaalsContact O-N 3.09Å; P113-I116 HydrophobicContact CG-CD1 3.74Å; P113-I116 HydrophobicContact CG-CG1 3.53Å; I116-Y155 HydrophobicContact CD1-CD2 4.32Å; I116-Y155 HydrophobicContact CD1-CE1 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 3.74Å; I116-Y155 HydrophobicContact CG1-CD2 4.39Å; I116-Y155 HydrophobicContact CG1-CE2 3.77Å; I116-L158 HydrophobicContact CB-CB 4.1Å; I116-L158 HydrophobicContact CB-CD1 4.23Å; I116-L158 HydrophobicContact CD1-CB 4.48Å; I116-L158 HydrophobicContact CG2-CB 3.84Å; I116-L158 HydrophobicContact CG2-CD1 4.46Å; I116-L158 WeakPolarHBondContact O-CD1 3.42Å; I116-Y159 HydrophobicContact CD1-CD2 3.91Å; I116-Y159 HydrophobicContact CD1-CG 4.37Å
117N97.8Very high96.8Very high101 Ų10152.6 Ų52.654%0.5431%0.311SS..EExtended strand (participates in β ladder)trans-85.7149.4172.9-63-71.6000110.3K86 C87K86-N117 WeakPolarHBondContact O-CA 3.38Å; C87-N117 WeakPolarHBondContact CB-OD1 3.28Å
118S97.4Very high96.9Very high14 Ų1455.6 Ų55.610%0.09832%0.321CS..  trans-62.8148.6163.2-170.30000110.4K86 I120 Y154 G163 S165K86-S118 PolarHBondContact O-N 3.36Å; S118-I120 PolarHBondContact O-N 3.48Å; S118-I120 PolarHBondContact OG-N 3.46Å; S118-Y154 WeakPolarHBondContact CB-OH 3.33Å; S118-G163 WeakPolarHBondContact CA-O 3.16Å; S118-G163 PolarHBondContact OG-O 3.37Å; S118-S165 WeakPolarHBondContact CB-O 3.25Å; S118-S165 PolarHBondContact OG-O 2.92Å
119V96.1Very high97Very high80 Ų8055.3 Ų55.349%0.48532%0.319SS..SBendtrans-72.6-13.1167.9-590000112.2G163 R164 L197V119-G163 PolarHBondContact N-O 2.97Å; V119-R164 HydrophobicContact CG2-CG 4.04Å; V119-L197 HydrophobicContact CG2-CD2 4.24Å
120I96.5Very high96.9Very high9 Ų957.8 Ų57.85%0.04634%0.336CS..SBendtrans-83.8129.5177.1-60161.7000109.4L69 S118 M122 V125 A166 M193 L197L69-I120 HydrophobicContact CD1-CD1 3.48Å; L69-I120 VanDerWaalsContact CD1-CD1 3.48Å; L69-I120 HydrophobicContact CD2-CD1 3.85Å; L69-I120 HydrophobicContact CG-CD1 4.32Å; S118-I120 PolarHBondContact O-N 3.48Å; S118-I120 PolarHBondContact OG-N 3.46Å; I120-M122 HydrophobicContact CB-CE 3.94Å; I120-M122 HydrophobicContact CB-SD 4.48Å; I120-M122 HydrophobicContact CG2-CE 4.22Å; I120-M122 HydrophobicContact CG2-SD 4.15Å; I120-M122 PolarHBondContact O-N 3.01Å; I120-V125 HydrophobicContact CG2-CG2 3.64Å; I120-A166 HydrophobicContact CD1-CB 4.19Å; I120-M193 HydrophobicContact CD1-CB 4.18Å; I120-M193 HydrophobicContact CD1-CG 4.32Å; I120-M193 HydrophobicContact CD1-SD 4.31Å; I120-M193 HydrophobicContact CG2-CB 4.32Å; I120-M193 HydrophobicContact CG2-CG 4.05Å; I120-L197 HydrophobicContact CD1-CD1 4.33Å; I120-L197 HydrophobicContact CG1-CD1 4.29Å; I120-L197 HydrophobicContact CG1-CD2 4.02Å; I120-L197 HydrophobicContact CG1-CG 4.19Å
121D96.9Very high96.7Very high77 Ų7755.8 Ų55.841%0.41233%0.333SS..  trans-74.691.9172.4-1783.5000111.2E123 S124 V125D121-E123 PolarHBondContact O-N 2.89Å; D121-E123 WeakPolarHBondContact OD1-CB 3.47Å; D121-E123 PolarHBondContact OD1-N 2.97Å; D121-S124 PolarHBondContact O-N 3.41Å; D121-S124 VanDerWaalsContact O-N 3.15Å; D121-S124 PolarHBondContact OD1-N 2.94Å; D121-S124 VanDerWaalsContact OD2-CB 3.31Å; D121-S124 WeakPolarHBondContact OD2-CB 3.29Å; D121-S124 PolarHBondContact OD2-OG 3.29Å; D121-V125 WeakPolarHBondContact O-CG2 3.36Å; D121-V125 PolarHBondContact O-N 3.49Å
122M98Very high96.3Very high2 Ų255.2 Ų55.21%0.0131%0.314CS..Hα-helixtrans-61.5-26.3179.9-59.2-57.7172.300113.5L84 K86 I120 C126 V141 A166 M193L84-M122 HydrophobicContact CB-CB 4.1Å; L84-M122 HydrophobicContact CB-CG 4.32Å; L84-M122 HydrophobicContact CB-SD 4.12Å; K86-M122 HydrophobicContact CG-CB 3.98Å; K86-M122 HydrophobicContact CG-CG 4.19Å; I120-M122 HydrophobicContact CB-CE 3.94Å; I120-M122 HydrophobicContact CB-SD 4.48Å; I120-M122 HydrophobicContact CG2-CE 4.22Å; I120-M122 HydrophobicContact CG2-SD 4.15Å; I120-M122 PolarHBondContact O-N 3.01Å; M122-C126 VanDerWaalsContact O-CB 3.24Å; M122-C126 WeakPolarHBondContact O-CB 3.46Å; M122-C126 PolarHBondContact O-N 2.94Å; M122-V141 HydrophobicContact CB-CG1 4.15Å; M122-V141 WeakPolarHBondContact O-CG1 3.41Å; M122-A166 HydrophobicContact CE-CB 3.65Å; M122-M193 HydrophobicContact CE-CE 4.13Å; M122-M193 HydrophobicContact SD-CE 3.73Å
123E98.1Very high95.5Very high87 Ų8759.5 Ų59.541%0.40735%0.348SS..Hα-helixtrans-68.4-46.1175.9-58.8-73.1176.100109.9K86 D121 C126 K127 V141K86-E123 IonicContact NZ-OE1 3.36Å; K86-E123 PolarHBondContact NZ-OE1 3.47Å; D121-E123 PolarHBondContact O-N 2.89Å; D121-E123 WeakPolarHBondContact OD1-CB 3.47Å; D121-E123 PolarHBondContact OD1-N 2.97Å; E123-C126 PolarHBondContact O-N 3.41Å; E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 PolarHBondContact O-N 3.04Å; E123-V141 WeakPolarHBondContact OE2-CG2 3.31Å
124S97.9Very high94.8Very high41 Ų4160.3 Ų60.329%0.28737%0.369SS..Hα-helixtrans-62.7-43.8175.6-72.70000111.6D121 K127 R128D121-S124 PolarHBondContact O-N 3.41Å; D121-S124 VanDerWaalsContact O-N 3.15Å; D121-S124 PolarHBondContact OD1-N 2.94Å; D121-S124 VanDerWaalsContact OD2-CB 3.31Å; D121-S124 WeakPolarHBondContact OD2-CB 3.29Å; D121-S124 PolarHBondContact OD2-OG 3.29Å; S124-K127 PolarHBondContact O-N 3.14Å; S124-R128 WeakPolarHBondContact O-CG 3.42Å; S124-R128 PolarHBondContact O-N 3.08Å
125V98.2Very high94.5Very high0 Ų056.5 Ų56.50%035%0.348CS..Hα-helixtrans-57.4-53.1173.7177.30000110.3L84 I120 D121 K127 R128 V129 I189 E192 M193 L196L84-V125 HydrophobicContact CD1-CB 3.96Å; L84-V125 HydrophobicContact CD1-CG1 3.63Å; I120-V125 HydrophobicContact CG2-CG2 3.64Å; D121-V125 WeakPolarHBondContact O-CG2 3.36Å; D121-V125 PolarHBondContact O-N 3.49Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.39Å; V125-R128 PolarHBondContact O-N 2.98Å; V125-V129 HydrophobicContact CG1-CG2 4.13Å; V125-V129 WeakPolarHBondContact O-CB 3.29Å; V125-V129 VanDerWaalsContact O-CG2 3.25Å; V125-V129 WeakPolarHBondContact O-CG2 3.25Å; V125-V129 PolarHBondContact O-N 2.88Å; V125-I189 HydrophobicContact CG1-CG2 3.94Å; V125-E192 HydrophobicContact CG1-CB 4.2Å; V125-M193 HydrophobicContact CG1-CE 4.46Å; V125-M193 HydrophobicContact CG1-CG 4.07Å; V125-M193 HydrophobicContact CG2-CG 3.79Å; V125-L196 HydrophobicContact CB-CD1 4.4Å; V125-L196 HydrophobicContact CG2-CD1 3.47Å; V125-L196 VanDerWaalsContact CG2-CD1 3.47Å
126C98.1Very high94.3Very high16 Ų1657.4 Ų57.411%0.10837%0.365CS..Hα-helixtrans-55.8-48.5-179.7-172.30000111L84 M122 E123 R128 V129 T130 V139 V141L84-C126 HydrophobicContact CD1-CB 4.13Å; M122-C126 VanDerWaalsContact O-CB 3.24Å; M122-C126 WeakPolarHBondContact O-CB 3.46Å; M122-C126 PolarHBondContact O-N 2.94Å; E123-C126 PolarHBondContact O-N 3.41Å; C126-R128 PolarHBondContact O-N 3.14Å; C126-V129 PolarHBondContact O-N 3.45Å; C126-T130 WeakPolarHBondContact O-CB 3.46Å; C126-T130 PolarHBondContact O-N 3.29Å; C126-T130 PolarHBondContact O-OG1 3.23Å; C126-V139 PolarHBondContact SG-O 2.85Å; C126-V139 VanDerWaalsContact SG-O 3.35Å; C126-V141 HydrophobicContact CB-CG1 3.75Å
127K97.5Very high94.2Very high162 Ų16256.8 Ų56.870%0.70436%0.362SS*.Hα-helixtrans-59.3-44.8179.6-176.5-179.6177.5-177.20112.4E123 S124 V125 A131E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 PolarHBondContact O-N 3.04Å; S124-K127 PolarHBondContact O-N 3.14Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.39Å; K127-A131 WeakPolarHBondContact O-CB 3.27Å; K127-A131 PolarHBondContact O-N 3.34Å; K127-A131 VanDerWaalsContact O-N 3.09Å
128R97.1Very high94.2Very high73 Ų7354 Ų5428%0.27535%0.354SS..Hα-helixtrans-66.2-47.6179.9-71-174.1-177.1-168.8-0.9111.6S124 V125 C126 T130 A131 T132 E192 E195 L196S124-R128 WeakPolarHBondContact O-CG 3.42Å; S124-R128 PolarHBondContact O-N 3.08Å; V125-R128 PolarHBondContact O-N 2.98Å; C126-R128 PolarHBondContact O-N 3.14Å; R128-T130 VanDerWaalsContact C-N 3.34Å; R128-T130 PolarHBondContact O-N 2.84Å; R128-A131 WeakPolarHBondContact O-CB 3.21Å; R128-A131 PolarHBondContact O-N 3.18Å; R128-A131 VanDerWaalsContact O-N 3.1Å; R128-T132 PolarHBondContact O-N 3.38Å; R128-T132 PolarHBondContact O-OG1 3.48Å; R128-E192 HydrophobicContact CB-CG 4.12Å; R128-E192 WeakPolarHBondContact CB-OE2 3.06Å; R128-E192 WeakPolarHBondContact CD-OE2 3.42Å; R128-E192 IonicContact NH1-OE2 3.61Å; R128-E195 IonicContact NH1-OE2 3.97Å; R128-L196 VanDerWaalsContact NH2-CD2 3.29Å
129V96.1Very high94.2Very high0 Ų053.9 Ų53.90%035%0.352CS..Hα-helixtrans-62.3-41.5178.8177.10000111.5V125 C126 A131 T132 L135 V139 A188 I189 E192V125-V129 HydrophobicContact CG1-CG2 4.13Å; V125-V129 WeakPolarHBondContact O-CB 3.29Å; V125-V129 VanDerWaalsContact O-CG2 3.25Å; V125-V129 WeakPolarHBondContact O-CG2 3.25Å; V125-V129 PolarHBondContact O-N 2.88Å; C126-V129 PolarHBondContact O-N 3.45Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 3.02Å; V129-T132 WeakPolarHBondContact O-CB 3.47Å; V129-T132 PolarHBondContact O-N 2.92Å; V129-T132 VanDerWaalsContact O-N 3.16Å; V129-L135 HydrophobicContact CG1-CD2 3.32Å; V129-V139 HydrophobicContact CG1-CG2 3.92Å; V129-A188 HydrophobicContact CG1-CB 4.45Å; V129-I189 HydrophobicContact CB-CG1 4.49Å; V129-I189 HydrophobicContact CG1-CG1 3.99Å; V129-I189 HydrophobicContact CG2-CB 4.4Å; V129-I189 HydrophobicContact CG2-CG1 3.91Å; V129-E192 HydrophobicContact CG2-CB 4.05Å; V129-E192 HydrophobicContact CG2-CG 3.68Å
130T93.4Very high94.3Very high95 Ų9552.7 Ų52.758%0.58335%0.345SS*.Hα-helixtrans-67.6-28.1176.6-57.60000112.6C126 R128 T132C126-T130 WeakPolarHBondContact O-CB 3.46Å; C126-T130 PolarHBondContact O-N 3.29Å; C126-T130 PolarHBondContact O-OG1 3.23Å; R128-T130 VanDerWaalsContact C-N 3.34Å; R128-T130 PolarHBondContact O-N 2.84Å; T130-T132 VanDerWaalsContact C-N 3.28Å
131A91.4Very high94.4Very high82 Ų8254.3 Ų54.368%0.67836%0.356SS*.Hα-helixtrans-74.8-17.617400000113.1K127 R128 V129 A133K127-A131 WeakPolarHBondContact O-CB 3.27Å; K127-A131 PolarHBondContact O-N 3.34Å; K127-A131 VanDerWaalsContact O-N 3.09Å; R128-A131 WeakPolarHBondContact O-CB 3.21Å; R128-A131 PolarHBondContact O-N 3.18Å; R128-A131 VanDerWaalsContact O-N 3.1Å; V129-A131 VanDerWaalsContact C-N 3.28Å; V129-A131 PolarHBondContact O-N 3.02Å; A131-A133 PolarHBondContact O-N 3.2Å
132T86.9Confident94.4Very high67 Ų6752.2 Ų52.241%0.41135%0.347SS..SBendtrans-70.5112.2177.3-59.90000110.9R128 V129 T130R128-T132 PolarHBondContact O-N 3.38Å; R128-T132 PolarHBondContact O-OG1 3.48Å; V129-T132 WeakPolarHBondContact O-CB 3.47Å; V129-T132 PolarHBondContact O-N 2.92Å; V129-T132 VanDerWaalsContact O-N 3.16Å; T130-T132 VanDerWaalsContact C-N 3.28Å
133A79.8Confident94.2Very high99 Ų9958.5 Ų58.582%0.81837%0.374SS*.THydrogen-bonded Turntrans-61137.717700000111.6A131A131-A133 PolarHBondContact O-N 3.2Å
134G82.6Confident93.9Very high85 Ų8558 Ų5888%0.87637%0.374SS*.THydrogen-bonded Turntrans85.96.5170.900000116.3G136G134-G136 VanDerWaalsContact C-N 3.35Å; G134-G136 PolarHBondContact O-N 2.87Å
135L90.2Very high93.6Very high24 Ų2456.2 Ų56.213%0.12636%0.362CS..  trans-66.2-36.5177.1-175.963.7000112.9V129 V137 V139 A185 A188V129-L135 HydrophobicContact CG1-CD2 3.32Å; L135-V137 HydrophobicContact CD2-CB 4.48Å; L135-V137 HydrophobicContact CG-CB 4.21Å; L135-V137 PolarHBondContact O-N 2.86Å; L135-V137 VanDerWaalsContact O-N 3.07Å; L135-V139 HydrophobicContact CD2-CG2 4.29Å; L135-A185 HydrophobicContact CD1-CB 4.35Å; L135-A188 HydrophobicContact CD1-CB 4.08Å
136G92.1Very high93.2Very high65 Ų6557.7 Ų57.767%0.6738%0.377SS*.  trans68.80.7178.300000115.3G134 Y177G134-G136 VanDerWaalsContact C-N 3.35Å; G134-G136 PolarHBondContact O-N 2.87Å; G136-Y177 WeakPolarHBondContact O-CE1 3.28Å
137V96.1Very high93Very high13 Ų1360.7 Ų60.78%0.07939%0.386CS..  trans-118.2128.6-178.3177.40000109.8V82 L135 Y177 E181 A185V82-V137 HydrophobicContact CB-CG1 4.26Å; V82-V137 HydrophobicContact CG2-CG1 3.52Å; L135-V137 HydrophobicContact CD2-CB 4.48Å; L135-V137 HydrophobicContact CG-CB 4.21Å; L135-V137 PolarHBondContact O-N 2.86Å; L135-V137 VanDerWaalsContact O-N 3.07Å; V137-Y177 HydrophobicContact CB-CE1 4.33Å; V137-Y177 HydrophobicContact CG1-CD2 3.99Å; V137-Y177 HydrophobicContact CG1-CE1 4.41Å; V137-Y177 HydrophobicContact CG1-CE2 3.75Å; V137-Y177 HydrophobicContact CG1-CG 4.44Å; V137-Y177 HydrophobicContact CG2-CD1 3.92Å; V137-Y177 HydrophobicContact CG2-CE1 4.1Å; V137-Y177 HydrophobicContact CG2-CG 4.16Å; V137-E181 HydrophobicContact CG2-CB 3.96Å; V137-A185 HydrophobicContact CB-CB 3.98Å; V137-A185 HydrophobicContact CG1-CB 3.8Å; V137-A185 HydrophobicContact CG2-CB 4.15Å
138A97.1Very high92.9Very high43 Ų4355.4 Ų55.436%0.35536%0.362SS..  trans-75133.3174.600000110T81 V82 Y177T81-A138 WeakPolarHBondContact CB-O 3.12Å; T81-A138 HydrophobicContact CG2-CB 3.76Å; V82-A138 PolarHBondContact N-O 2.57Å; A138-Y177 WeakPolarHBondContact CB-OH 3.28Å; A138-Y177 PolarHBondContact N-OH 2.92Å
139V98Very high92.9Very high11 Ų1152 Ų527%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-120.9136.3178.8-173.20000109V82 L84 C126 V129 L135 I189V82-V139 HydrophobicContact CB-CG2 4.43Å; V82-V139 CarbonylContact O-C 3.54Å; V82-V139 WeakPolarHBondContact O-CA 3.32Å; L84-V139 HydrophobicContact CD1-CG1 4.05Å; L84-V139 HydrophobicContact CD2-CG1 4.2Å; L84-V139 HydrophobicContact CG-CG1 3.88Å; C126-V139 PolarHBondContact SG-O 2.85Å; C126-V139 VanDerWaalsContact SG-O 3.35Å; V129-V139 HydrophobicContact CG1-CG2 3.92Å; L135-V139 HydrophobicContact CD2-CG2 4.29Å; V139-I189 HydrophobicContact CG1-CD1 4.23Å; V139-I189 HydrophobicContact CG2-CD1 4.19Å
140T97.8Very high93Very high55 Ų5553 Ų5334%0.33736%0.356SS..EExtended strand (participates in β ladder)trans-134.9172177.6630000110.9T81 V82 T83 L84T81-T140 HydrophobicContact CG2-CG2 4.24Å; T81-T140 PolarHBondContact OG1-OG1 3.47Å; V82-T140 PolarHBondContact O-N 3.03Å; T83-T140 CarbonylContact C-O 3.58Å; T83-T140 WeakPolarHBondContact CA-O 3.33Å; T83-T140 PolarHBondContact OG1-OG1 2.96Å; L84-T140 PolarHBondContact N-O 3.47Å
141V98.2Very high93.2Very high44 Ų4448.4 Ų48.427%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-115.2149175.5-650000110.7L84 K86 M122 E123 C126L84-V141 HydrophobicContact CB-CG1 4.39Å; L84-V141 CarbonylContact O-C 3.56Å; L84-V141 WeakPolarHBondContact O-CA 3.45Å; K86-V141 HydrophobicContact CD-CB 4.44Å; M122-V141 HydrophobicContact CB-CG1 4.15Å; M122-V141 WeakPolarHBondContact O-CG1 3.41Å; E123-V141 WeakPolarHBondContact OE2-CG2 3.31Å; C126-V141 HydrophobicContact CB-CG1 3.75Å
142S97.4Very high93.5Very high32 Ų3244.5 Ų44.522%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-137.7158.9176.1170.20000111.2L84 E85 K86 D144L84-S142 PolarHBondContact O-N 2.78Å; E85-S142 WeakPolarHBondContact OE2-CB 3.36Å; E85-S142 PolarHBondContact OE2-OG 2.96Å; K86-S142 WeakPolarHBondContact CB-O 3.33Å; K86-S142 VanDerWaalsContact CG-O 3.27Å; K86-S142 WeakPolarHBondContact CG-O 3.5Å; K86-S142 PolarHBondContact N-O 3.14Å; S142-D144 PolarHBondContact OG-N 2.9Å; S142-D144 VanDerWaalsContact OG-N 3.09Å; S142-D144 PolarHBondContact OG-O 3.25Å
143K94.1Very high94.1Very high135 Ų13541.3 Ų41.359%0.58728%0.276SS*.SBendtrans-114.115.7174.4-65.5-179.3-179.5177.30111.7K86 C87K86-K143 HydrophobicContact CB-CG 4.29Å; K86-K143 HydrophobicContact CD-CG 3.97Å; C87-K143 PolarHBondContact SG-O 3.44Å
144D91.6Very high94.9Very high76 Ų7636.6 Ų36.641%0.40624%0.238SC..  trans-147.6100.5-176.1-162-23000110.2E85 S142 G146 R147E85-D144 PolarHBondContact OE2-N 2.9Å; S142-D144 PolarHBondContact OG-N 2.9Å; S142-D144 VanDerWaalsContact OG-N 3.09Å; S142-D144 PolarHBondContact OG-O 3.25Å; D144-G146 PolarHBondContact O-N 2.89Å; D144-G146 WeakPolarHBondContact OD1-CA 3.38Å; D144-G146 PolarHBondContact OD1-N 3.34Å; D144-R147 IonicContact OD1-CZ 3.16Å; D144-R147 IonicContact OD1-NH1 3.86Å; D144-R147 PolarHBondContact OD1-NH1 2.98Å; D144-R147 IonicContact OD2-NH1 3.68Å; D144-R147 IonicContact OD2-NH2 2.7Å
145A91.5Very high95.7Very high4 Ų432.6 Ų32.63%0.03320%0.196CC..  trans-79.39.6175.100000113E85 D151 Y154 H169E85-A145 HydrophobicContact CB-CB 4.16Å; E85-A145 HydrophobicContact CG-CB 3.75Å; E85-A145 PolarHBondContact OE2-N 2.82Å; A145-D151 HydrophobicContact CB-CB 3.93Å; A145-Y154 HydrophobicContact CB-CD1 4.21Å; A145-H169 PolarHBondContact O-CE1 3.43Å
146G91.3Very high96.1Very high31 Ų3131.7 Ų31.732%0.3219%0.192SC..  trans89.8-164-175.900000112.9D144 D151D144-G146 PolarHBondContact O-N 2.89Å; D144-G146 WeakPolarHBondContact OD1-CA 3.38Å; D144-G146 PolarHBondContact OD1-N 3.34Å; G146-D151 WeakPolarHBondContact O-CB 3.43Å; G146-D151 VanDerWaalsContact O-CG 3.26Å
147R93.7Very high96.4Very high79 Ų7928.6 Ų28.630%0.29816%0.16SC..SBendtrans-136.151.1178.5-63.6-62.7-176.8-69.2-19.2111.6H91 G92 D144H91-R147 WeakPolarHBondContact O-CD 3.48Å; H91-R147 PolarHBondContact O-NE 3.48Å; G92-R147 WeakPolarHBondContact O-CB 3.28Å; D144-R147 IonicContact OD1-CZ 3.16Å; D144-R147 IonicContact OD1-NH1 3.86Å; D144-R147 PolarHBondContact OD1-NH1 2.98Å; D144-R147 IonicContact OD2-NH1 3.68Å; D144-R147 IonicContact OD2-NH2 2.7Å
148Y95.4Very high96.5Very high50 Ų5028 Ų2820%0.19616%0.156CC..SBendtrans-143.4-157.9179.8-165.8-122.8000110.5F16 V49 Y51 G95 L96 D97 C150 D151 F152F16-Y148 HydrophobicContact CD2-CE1 4.43Å; F16-Y148 HydrophobicContact CE1-CE1 4.31Å; F16-Y148 AromaticContact CE2-CE1 3.84Å; F16-Y148 HydrophobicContact CE2-CE1 3.84Å; F16-Y148 AromaticContact CE2-CZ 3.78Å; F16-Y148 WeakPolarHBondContact CE2-OH 3.31Å; F16-Y148 AromaticContact CZ-CE1 3.75Å; F16-Y148 HydrophobicContact CZ-CE1 3.75Å; F16-Y148 AromaticContact CZ-CZ 3.84Å; F16-Y148 WeakPolarHBondContact CZ-OH 3.44Å; V49-Y148 HydrophobicContact CG1-CE1 3.78Å; Y51-Y148 HydrophobicContact CE2-CE2 4.39Å; Y51-Y148 VanDerWaalsContact OH-CD2 3.29Å; Y51-Y148 WeakPolarHBondContact OH-CD2 3.48Å; G95-Y148 WeakPolarHBondContact O-CE2 3.34Å; L96-Y148 WeakPolarHBondContact O-CE2 3.36Å; L96-Y148 PolarHBondContact O-OH 3.48Å; D97-Y148 VanDerWaalsContact CA-OH 3.3Å; D97-Y148 WeakPolarHBondContact CA-OH 3.5Å; Y148-C150 VanDerWaalsContact C-N 3.27Å; Y148-C150 PolarHBondContact O-N 3.5Å; Y148-D151 PolarHBondContact O-N 3.27Å; Y148-F152 WeakPolarHBondContact O-CB 3.34Å; Y148-F152 PolarHBondContact O-N 3.27Å
149L96.8Very high96.5Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..Hα-helixtrans-60.5-30.1-174.4-93.5-65.1000114.4F13 V49 Y51 V54 D97 T153F13-L149 HydrophobicContact CE1-CB 4.03Å; F13-L149 HydrophobicContact CZ-CB 4.34Å; F13-L149 WeakPolarHBondContact CZ-O 3.08Å; V49-L149 HydrophobicContact CG1-CB 4.03Å; V49-L149 HydrophobicContact CG1-CD2 4.45Å; V49-L149 HydrophobicContact CG1-CG 3.86Å; Y51-L149 HydrophobicContact CD1-CD1 4.03Å; Y51-L149 HydrophobicContact CD1-CD2 3.78Å; Y51-L149 HydrophobicContact CD2-CD2 3.74Å; Y51-L149 HydrophobicContact CE1-CD1 4.42Å; Y51-L149 HydrophobicContact CE1-CD2 3.5Å; Y51-L149 VanDerWaalsContact CE1-CD2 3.5Å; Y51-L149 HydrophobicContact CE2-CD2 3.44Å; Y51-L149 VanDerWaalsContact CE2-CD2 3.44Å; Y51-L149 HydrophobicContact CG-CD1 4.24Å; Y51-L149 HydrophobicContact CG-CD2 3.9Å; V54-L149 HydrophobicContact CB-CD1 4.45Å; V54-L149 HydrophobicContact CG2-CD1 3.68Å; D97-L149 HydrophobicContact CB-CD2 4.15Å; L149-T153 WeakPolarHBondContact O-CB 3.17Å; L149-T153 PolarHBondContact O-N 3.28Å; L149-T153 PolarHBondContact O-OG1 2.93Å
150C97.3Very high96.5Very high21 Ų2134.2 Ų34.214%0.14218%0.175CC..Hα-helixtrans-57.7-63173.1-65.90000111Y148 F152 T153 Y154 F167 H169Y148-C150 VanDerWaalsContact C-N 3.27Å; Y148-C150 PolarHBondContact O-N 3.5Å; C150-F152 PolarHBondContact O-N 3.22Å; C150-T153 PolarHBondContact O-N 3.41Å; C150-Y154 PolarHBondContact O-N 2.66Å; C150-F167 HydrophobicContact CB-CE1 3.89Å; C150-F167 HydrophobicContact CB-CE2 3.96Å; C150-F167 HydrophobicContact CB-CZ 3.34Å; C150-F167 WeakPolarHBondContact O-CE2 3.47Å; C150-H169 PolarHBondContact SG-NE2 3.1Å; C150-H169 VanDerWaalsContact SG-NE2 3.43Å
151D97.9Very high96.3Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-62.8-38.7179-177.464.5000112.6G88 R89 Y93 A145 G146 Y148 T153 Y154 Y155G88-D151 VanDerWaalsContact CA-OD1 3.27Å; G88-D151 WeakPolarHBondContact CA-OD1 3.34Å; R89-D151 PolarHBondContact N-OD1 2.97Å; R89-D151 PolarHBondContact N-OD2 3.18Å; R89-D151 VanDerWaalsContact O-OD2 3.05Å; Y93-D151 HydrophobicContact CE1-CB 4.3Å; Y93-D151 PolarHBondContact OH-OD2 3.08Å; A145-D151 HydrophobicContact CB-CB 3.93Å; G146-D151 WeakPolarHBondContact O-CB 3.43Å; G146-D151 VanDerWaalsContact O-CG 3.26Å; Y148-D151 PolarHBondContact O-N 3.27Å; D151-T153 PolarHBondContact O-N 2.9Å; D151-Y154 PolarHBondContact O-N 3.43Å; D151-Y155 VanDerWaalsContact O-CB 3.29Å; D151-Y155 WeakPolarHBondContact O-CB 3.33Å; D151-Y155 PolarHBondContact O-N 2.95Å
152F98.2Very high96.1Very high0 Ų040.5 Ų40.50%019%0.188CC..Hα-helixtrans-62.4-44.3177.5-172.7-83.2000112.1Y51 V54 Q55 Y93 P103 C108 Y148 C150 T156Y51-F152 HydrophobicContact CD1-CB 4.16Å; Y51-F152 AromaticContact CD1-CD1 3.79Å; Y51-F152 HydrophobicContact CD1-CD1 3.79Å; Y51-F152 AromaticContact CD1-CD2 3.49Å; Y51-F152 HydrophobicContact CD1-CD2 3.49Å; Y51-F152 VanDerWaalsContact CD1-CD2 3.49Å; Y51-F152 AromaticContact CD1-CE1 3.99Å; Y51-F152 HydrophobicContact CD1-CE1 3.99Å; Y51-F152 AromaticContact CD1-CE2 3.66Å; Y51-F152 HydrophobicContact CD1-CE2 3.66Å; Y51-F152 AromaticContact CD1-CG 3.54Å; Y51-F152 HydrophobicContact CD1-CG 3.54Å; Y51-F152 AromaticContact CD1-CZ 3.93Å; Y51-F152 HydrophobicContact CD1-CZ 3.93Å; Y51-F152 HydrophobicContact CE1-CB 3.96Å; Y51-F152 HydrophobicContact CE1-CD1 4.45Å; Y51-F152 AromaticContact CE1-CD2 3.64Å; Y51-F152 HydrophobicContact CE1-CD2 3.64Å; Y51-F152 HydrophobicContact CE1-CE2 4.19Å; Y51-F152 AromaticContact CE1-CG 3.78Å; Y51-F152 HydrophobicContact CE1-CG 3.78Å; V54-F152 HydrophobicContact CB-CD1 4.33Å; V54-F152 HydrophobicContact CB-CE1 4.37Å; V54-F152 HydrophobicContact CG1-CD1 3.86Å; V54-F152 HydrophobicContact CG1-CE1 4.07Å; Q55-F152 HydrophobicContact CG-CE1 3.82Å; Q55-F152 HydrophobicContact CG-CZ 3.84Å; Y93-F152 HydrophobicContact CD1-CB 4.26Å; Y93-F152 HydrophobicContact CD1-CD2 4.3Å; Y93-F152 HydrophobicContact CD2-CD2 4.03Å; Y93-F152 HydrophobicContact CE1-CB 3.69Å; Y93-F152 HydrophobicContact CE1-CD2 4.16Å; Y93-F152 HydrophobicContact CE1-CG 4.44Å; Y93-F152 AromaticContact CE2-CD2 3.84Å; Y93-F152 HydrophobicContact CE2-CD2 3.84Å; Y93-F152 HydrophobicContact CG-CD2 4.24Å; Y93-F152 AromaticContact CZ-CD2 3.9Å; Y93-F152 WeakPolarHBondContact OH-CA 3.49Å; Y93-F152 PolarHBondContact OH-N 3.35Å; P103-F152 HydrophobicContact CG-CE2 4.01Å; C108-F152 HydrophobicContact CB-CD2 3.81Å; C108-F152 HydrophobicContact CB-CE2 3.87Å; Y148-F152 WeakPolarHBondContact O-CB 3.34Å; Y148-F152 PolarHBondContact O-N 3.27Å; C150-F152 PolarHBondContact O-N 3.22Å; F152-T156 WeakPolarHBondContact O-CB 3.37Å; F152-T156 PolarHBondContact O-N 2.86Å; F152-T156 PolarHBondContact O-OG1 2.71Å
153T98.4Very high95.9Very high0 Ų039.1 Ų39.10%018%0.179CC..Hα-helixtrans-64.2-43.8175.3-580000110.6F13 V54 V58 H72 L149 C150 D151 S157F13-T153 HydrophobicContact CZ-CG2 4.4Å; F13-T153 WeakPolarHBondContact CZ-OG1 3.45Å; V54-T153 HydrophobicContact CG1-CG2 4.14Å; V54-T153 WeakPolarHBondContact CG1-OG1 3.32Å; V54-T153 WeakPolarHBondContact CG2-OG1 3.23Å; V58-T153 HydrophobicContact CG2-CG2 3.94Å; H72-T153 HydrophobicContact CB-CG2 4.46Å; L149-T153 WeakPolarHBondContact O-CB 3.17Å; L149-T153 PolarHBondContact O-N 3.28Å; L149-T153 PolarHBondContact O-OG1 2.93Å; C150-T153 PolarHBondContact O-N 3.41Å; D151-T153 PolarHBondContact O-N 2.9Å; T153-S157 WeakPolarHBondContact O-CB 2.99Å; T153-S157 PolarHBondContact O-N 2.86Å
154Y98.5Very high95.9Very high0 Ų038.2 Ų38.20%017%0.171CC..Hα-helixtrans-61.5-52.3178.7-172.1-159.2000111.8E85 C87 S118 A145 C150 D151 T156 S157 L158 F167E85-Y154 HydrophobicContact CB-CD1 4.26Å; E85-Y154 HydrophobicContact CB-CE1 3.72Å; E85-Y154 PolarHBondContact O-OH 2.9Å; C87-Y154 WeakPolarHBondContact O-CE1 3.16Å; S118-Y154 WeakPolarHBondContact CB-OH 3.33Å; A145-Y154 HydrophobicContact CB-CD1 4.21Å; C150-Y154 PolarHBondContact O-N 2.66Å; D151-Y154 PolarHBondContact O-N 3.43Å; Y154-T156 PolarHBondContact O-N 2.91Å; Y154-S157 WeakPolarHBondContact O-CB 3.38Å; Y154-S157 PolarHBondContact O-N 3.27Å; Y154-L158 HydrophobicContact CD1-CD1 4Å; Y154-L158 HydrophobicContact CD2-CD1 3.58Å; Y154-L158 HydrophobicContact CD2-CD2 4.29Å; Y154-L158 HydrophobicContact CD2-CG 3.61Å; Y154-L158 HydrophobicContact CE1-CD1 3.89Å; Y154-L158 HydrophobicContact CE2-CD1 3.42Å; Y154-L158 VanDerWaalsContact CE2-CD1 3.42Å; Y154-L158 HydrophobicContact CE2-CD2 3.61Å; Y154-L158 HydrophobicContact CE2-CG 3.43Å; Y154-L158 VanDerWaalsContact CE2-CG 3.43Å; Y154-L158 HydrophobicContact CG-CD1 3.88Å; Y154-L158 HydrophobicContact CG-CG 4.37Å; Y154-L158 WeakPolarHBondContact O-CB 3.36Å; Y154-L158 VanDerWaalsContact O-CG 3.31Å; Y154-L158 WeakPolarHBondContact O-CG 3.35Å; Y154-L158 PolarHBondContact O-N 2.83Å; Y154-F167 HydrophobicContact CD1-CB 3.57Å; Y154-F167 HydrophobicContact CD1-CG 4.33Å; Y154-F167 HydrophobicContact CD2-CB 3.66Å; Y154-F167 HydrophobicContact CE1-CB 3.82Å; Y154-F167 HydrophobicContact CE2-CB 3.94Å; Y154-F167 HydrophobicContact CG-CB 3.46Å; Y154-F167 VanDerWaalsContact CG-CB 3.46Å; Y154-F167 HydrophobicContact CG-CD2 4.14Å; Y154-F167 HydrophobicContact CG-CG 4.13Å
155Y98.6Very high96.2Very high0 Ų034.6 Ų34.60%015%0.152CC..Hα-helixtrans-59.8-46.5179.7-175.3-81.3000111.4R89 N90 C108 I109 P113 I116 D151 S157 L158 Y159R89-Y155 VanDerWaalsContact O-CD2 3.31Å; R89-Y155 WeakPolarHBondContact O-CD2 3.39Å; N90-Y155 HydrophobicContact CB-CD2 4.2Å; N90-Y155 HydrophobicContact CB-CE1 4.08Å; N90-Y155 HydrophobicContact CB-CE2 3.48Å; N90-Y155 VanDerWaalsContact CB-CE2 3.48Å; N90-Y155 VanDerWaalsContact CB-CZ 3.41Å; N90-Y155 WeakPolarHBondContact CB-OH 3.15Å; N90-Y155 VanDerWaalsContact CG-CZ 3.41Å; N90-Y155 VanDerWaalsContact CG-OH 3.27Å; N90-Y155 PolarHBondContact ND2-OH 2.83Å; N90-Y155 VanDerWaalsContact OD1-CE1 3.29Å; N90-Y155 WeakPolarHBondContact OD1-CE1 3.32Å; C108-Y155 HydrophobicContact CB-CD1 3.55Å; C108-Y155 HydrophobicContact CB-CE1 4.1Å; C108-Y155 HydrophobicContact CB-CG 4.19Å; C108-Y155 VanDerWaalsContact SG-CD1 3.6Å; I109-Y155 HydrophobicContact CB-CE1 3.97Å; I109-Y155 HydrophobicContact CG1-CD1 4.15Å; I109-Y155 HydrophobicContact CG1-CE1 3.71Å; P113-Y155 VanDerWaalsContact CD-OH 3.28Å; P113-Y155 WeakPolarHBondContact CD-OH 3.35Å; P113-Y155 VanDerWaalsContact O-CE2 3.25Å; P113-Y155 WeakPolarHBondContact O-CE2 3.28Å; P113-Y155 VanDerWaalsContact O-CZ 3.3Å; P113-Y155 PolarHBondContact O-OH 2.89Å; I116-Y155 HydrophobicContact CD1-CD2 4.32Å; I116-Y155 HydrophobicContact CD1-CE1 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 3.74Å; I116-Y155 HydrophobicContact CG1-CD2 4.39Å; I116-Y155 HydrophobicContact CG1-CE2 3.77Å; D151-Y155 VanDerWaalsContact O-CB 3.29Å; D151-Y155 WeakPolarHBondContact O-CB 3.33Å; D151-Y155 PolarHBondContact O-N 2.95Å; Y155-S157 VanDerWaalsContact C-N 3.28Å; Y155-S157 PolarHBondContact O-N 3.4Å; Y155-L158 PolarHBondContact O-N 3.27Å; Y155-Y159 WeakPolarHBondContact O-CB 3.4Å; Y155-Y159 PolarHBondContact O-N 3.4Å
156T98Very high96.6Very high6 Ų634.4 Ų34.44%0.03715%0.151CC..Hα-helixtrans-54.3-48.3175.6-60.50000110.5V58 C108 F152 Y154 Y159 L160V58-T156 HydrophobicContact CB-CG2 4.16Å; V58-T156 HydrophobicContact CG1-CG2 4.12Å; C108-T156 PolarHBondContact SG-OG1 3.41Å; F152-T156 WeakPolarHBondContact O-CB 3.37Å; F152-T156 PolarHBondContact O-N 2.86Å; F152-T156 PolarHBondContact O-OG1 2.71Å; Y154-T156 PolarHBondContact O-N 2.91Å; T156-Y159 PolarHBondContact O-N 3.06Å; T156-L160 HydrophobicContact CG2-CD1 3.84Å; T156-L160 WeakPolarHBondContact O-CD1 3.37Å; T156-L160 VanDerWaalsContact O-CG 3.23Å; T156-L160 WeakPolarHBondContact O-CG 3.2Å; T156-L160 PolarHBondContact O-N 3.29Å; T156-L160 VanDerWaalsContact O-N 3.14Å
157S98.3Very high96.9Very high0 Ų032.9 Ų32.90%014%0.135CC..Hα-helixtrans-65.2-46.4-179.1-1620000111.9W62 H72 T153 Y154 Y155 Y159 L160 S161 S165W62-S157 PolarHBondContact NE1-OG 2.81Å; H72-S157 WeakPolarHBondContact NE2-CB 3.26Å; H72-S157 PolarHBondContact NE2-OG 2.82Å; T153-S157 WeakPolarHBondContact O-CB 2.99Å; T153-S157 PolarHBondContact O-N 2.86Å; Y154-S157 WeakPolarHBondContact O-CB 3.38Å; Y154-S157 PolarHBondContact O-N 3.27Å; Y155-S157 VanDerWaalsContact C-N 3.28Å; Y155-S157 PolarHBondContact O-N 3.4Å; S157-Y159 PolarHBondContact O-N 3.25Å; S157-L160 PolarHBondContact O-N 3.31Å; S157-S161 WeakPolarHBondContact O-CB 3.41Å; S157-S161 PolarHBondContact O-N 2.93Å; S157-S161 PolarHBondContact O-OG 2.79Å; S157-S165 VanDerWaalsContact C-OG 3.23Å; S157-S165 WeakPolarHBondContact CB-OG 3.13Å; S157-S165 PolarHBondContact O-OG 3.36Å; S157-S165 WeakPolarHBondContact OG-CB 3.38Å; S157-S165 PolarHBondContact OG-OG 3.01Å
158L98.3Very high97.2Very high0 Ų029.1 Ų29.10%012%0.121CC..Hα-helixtrans-58.9-44.4177.1-75.6168.4000112.3I116 Y154 Y155 S161 R162 G163I116-L158 HydrophobicContact CB-CB 4.1Å; I116-L158 HydrophobicContact CB-CD1 4.23Å; I116-L158 HydrophobicContact CD1-CB 4.48Å; I116-L158 HydrophobicContact CG2-CB 3.84Å; I116-L158 HydrophobicContact CG2-CD1 4.46Å; I116-L158 WeakPolarHBondContact O-CD1 3.42Å; Y154-L158 HydrophobicContact CD1-CD1 4Å; Y154-L158 HydrophobicContact CD2-CD1 3.58Å; Y154-L158 HydrophobicContact CD2-CD2 4.29Å; Y154-L158 HydrophobicContact CD2-CG 3.61Å; Y154-L158 HydrophobicContact CE1-CD1 3.89Å; Y154-L158 HydrophobicContact CE2-CD1 3.42Å; Y154-L158 VanDerWaalsContact CE2-CD1 3.42Å; Y154-L158 HydrophobicContact CE2-CD2 3.61Å; Y154-L158 HydrophobicContact CE2-CG 3.43Å; Y154-L158 VanDerWaalsContact CE2-CG 3.43Å; Y154-L158 HydrophobicContact CG-CD1 3.88Å; Y154-L158 HydrophobicContact CG-CG 4.37Å; Y154-L158 WeakPolarHBondContact O-CB 3.36Å; Y154-L158 VanDerWaalsContact O-CG 3.31Å; Y154-L158 WeakPolarHBondContact O-CG 3.35Å; Y154-L158 PolarHBondContact O-N 2.83Å; Y155-L158 PolarHBondContact O-N 3.27Å; L158-S161 PolarHBondContact O-N 2.75Å; L158-R162 PolarHBondContact O-N 3.38Å; L158-R162 VanDerWaalsContact O-N 3.14Å; L158-G163 PolarHBondContact O-N 3.35Å
159Y97.9Very high97.3Very high104 Ų10427.5 Ų27.541%0.40812%0.115SC..Hα-helixtrans-62.1-47.4179.6-177-94.6000111.4I109 I116 Y155 T156 S157 S161I109-Y159 HydrophobicContact CG1-CD1 4.21Å; I109-Y159 HydrophobicContact CG1-CG 4.24Å; I109-Y159 HydrophobicContact CG2-CD1 4.38Å; I109-Y159 HydrophobicContact CG2-CE1 4Å; I109-Y159 HydrophobicContact CG2-CE2 4.17Å; I116-Y159 HydrophobicContact CD1-CD2 3.91Å; I116-Y159 HydrophobicContact CD1-CG 4.37Å; Y155-Y159 WeakPolarHBondContact O-CB 3.4Å; Y155-Y159 PolarHBondContact O-N 3.4Å; T156-Y159 PolarHBondContact O-N 3.06Å; S157-Y159 PolarHBondContact O-N 3.25Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 2.79Å
160L96.6Very high97.4Very high80 Ų8027.5 Ų27.542%0.41912%0.115SC..Hα-helixtrans-68-34180-66.7168.2000112.8V58 P59 T156 S157V58-L160 HydrophobicContact CG1-CD1 4.1Å; P59-L160 HydrophobicContact CB-CD1 4.25Å; P59-L160 HydrophobicContact CG-CD1 3.76Å; T156-L160 HydrophobicContact CG2-CD1 3.84Å; T156-L160 WeakPolarHBondContact O-CD1 3.37Å; T156-L160 VanDerWaalsContact O-CG 3.23Å; T156-L160 WeakPolarHBondContact O-CG 3.2Å; T156-L160 PolarHBondContact O-N 3.29Å; T156-L160 VanDerWaalsContact O-N 3.14Å; S157-L160 PolarHBondContact O-N 3.31Å
161S94.6Very high97.4Very high1 Ų126.5 Ų26.51%0.00711%0.108CC..Hα-helixtrans-95.1-1.2-170.674.80000114.5W62 S157 L158 Y159 G163 R164 S165W62-S161 VanDerWaalsContact CH2-CB 3.43Å; S157-S161 WeakPolarHBondContact O-CB 3.41Å; S157-S161 PolarHBondContact O-N 2.93Å; S157-S161 PolarHBondContact O-OG 2.79Å; L158-S161 PolarHBondContact O-N 2.75Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 2.79Å; S161-G163 VanDerWaalsContact C-N 3.26Å; S161-G163 PolarHBondContact OG-N 3.11Å; S161-R164 PolarHBondContact O-N 2.69Å; S161-R164 PolarHBondContact O-NE 3.26Å; S161-R164 WeakPolarHBondContact OG-CA 3.33Å; S161-R164 PolarHBondContact OG-N 2.84Å; S161-S165 PolarHBondContact OG-OG 3.07Å
162R93.5Very high97.4Very high231 Ų23128 Ų2887%0.87212%0.119SC*.THydrogen-bonded Turntrans54.943.9-168.8-56.6-179.9178.4-179.2-0.7111.5L158L158-R162 PolarHBondContact O-N 3.38Å; L158-R162 VanDerWaalsContact O-N 3.14Å
163G94.2Very high97.3Very high2 Ų231.1 Ų31.12%0.02114%0.135CC..THydrogen-bonded Turntrans87.40.3176.500000115.7S118 V119 L158 S161 S165S118-G163 WeakPolarHBondContact CA-O 3.16Å; S118-G163 PolarHBondContact OG-O 3.37Å; V119-G163 PolarHBondContact N-O 2.97Å; L158-G163 PolarHBondContact O-N 3.35Å; S161-G163 VanDerWaalsContact C-N 3.26Å; S161-G163 PolarHBondContact OG-N 3.11Å; G163-S165 PolarHBondContact O-N 2.81Å
164R94.3Very high97.1Very high116 Ų11633.8 Ų33.844%0.43816%0.162SC..  trans-77.745.4176.6-63.4-177.4-64.9148.30.8113.3W62 V119 S161W62-R164 HydrophobicContact CH2-CB 4.09Å; W62-R164 WeakPolarHBondContact CH2-O 3.21Å; W62-R164 WeakPolarHBondContact CZ2-O 3.48Å; V119-R164 HydrophobicContact CG2-CG 4.04Å; S161-R164 PolarHBondContact O-N 2.69Å; S161-R164 PolarHBondContact O-NE 3.26Å; S161-R164 WeakPolarHBondContact OG-CA 3.33Å; S161-R164 PolarHBondContact OG-N 2.84Å
165S97.9Very high96.9Very high0 Ų041.1 Ų41.10%019%0.194CC..EExtended strand (participates in β ladder)trans-135.7153.3176.8-53.30000109.9W62 I70 S118 S157 S161 G163W62-S165 WeakPolarHBondContact CZ2-OG 3.47Å; I70-S165 WeakPolarHBondContact O-CA 3.49Å; S118-S165 WeakPolarHBondContact CB-O 3.25Å; S118-S165 PolarHBondContact OG-O 2.92Å; S157-S165 VanDerWaalsContact C-OG 3.23Å; S157-S165 WeakPolarHBondContact CB-OG 3.13Å; S157-S165 PolarHBondContact O-OG 3.36Å; S157-S165 WeakPolarHBondContact OG-CB 3.38Å; S157-S165 PolarHBondContact OG-OG 3.01Å; S161-S165 PolarHBondContact OG-OG 3.07Å; G163-S165 PolarHBondContact O-N 2.81Å
166A98.6Very high96.8Very high0 Ų044.4 Ų44.40%022%0.216CC..EExtended strand (participates in β ladder)trans-128.5155.6172.900000110.4I70 V71 H72 I120 M122 M193I70-A166 PolarHBondContact O-N 3.25Å; V71-A166 HydrophobicContact CG1-CB 4.3Å; V71-A166 HydrophobicContact CG2-CB 4.27Å; H72-A166 PolarHBondContact N-O 3.15Å; I120-A166 HydrophobicContact CD1-CB 4.19Å; M122-A166 HydrophobicContact CE-CB 3.65Å; A166-M193 HydrophobicContact CB-CE 3.8Å; A166-M193 HydrophobicContact CB-SD 3.89Å
167F98.8Very high96.8Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-130.4135.8170.2-162.6-75.8000110.6F13 H72 E85 C150 Y154 H169F13-F167 HydrophobicContact CE2-CE2 4.05Å; F13-F167 AromaticContact CE2-CZ 4Å; F13-F167 HydrophobicContact CE2-CZ 4Å; H72-F167 HydrophobicContact CB-CD2 3.4Å; H72-F167 HydrophobicContact CB-CE2 3.67Å; H72-F167 HydrophobicContact CB-CG 4.3Å; H72-F167 CarbonylContact O-C 3.52Å; H72-F167 VanDerWaalsContact O-CA 3.28Å; H72-F167 WeakPolarHBondContact O-CA 3.34Å; E85-F167 HydrophobicContact CB-CB 4.11Å; E85-F167 HydrophobicContact CG-CB 4.3Å; E85-F167 HydrophobicContact CG-CD1 3.93Å; E85-F167 PolarHBondContact N-O 2.83Å; C150-F167 HydrophobicContact CB-CE1 3.89Å; C150-F167 HydrophobicContact CB-CE2 3.96Å; C150-F167 HydrophobicContact CB-CZ 3.34Å; C150-F167 WeakPolarHBondContact O-CE2 3.47Å; Y154-F167 HydrophobicContact CD1-CB 3.57Å; Y154-F167 HydrophobicContact CD1-CG 4.33Å; Y154-F167 HydrophobicContact CD2-CB 3.66Å; Y154-F167 HydrophobicContact CE1-CB 3.82Å; Y154-F167 HydrophobicContact CE2-CB 3.94Å; Y154-F167 HydrophobicContact CG-CB 3.46Å; Y154-F167 VanDerWaalsContact CG-CB 3.46Å; Y154-F167 HydrophobicContact CG-CD2 4.14Å; Y154-F167 HydrophobicContact CG-CG 4.13Å; F167-H169 AromaticContact CD1-CE1 4Å; F167-H169 AromaticContact CE1-CD2 3.73Å; F167-H169 AromaticContact CE1-CE1 3.53Å; F167-H169 AromaticContact CE1-CG 3.93Å; F167-H169 AromaticContact CE1-ND1 3.82Å; F167-H169 AromaticContact CE1-NE2 3.47Å; F167-H169 WeakPolarHBondContact CE1-NE2 3.18Å
168I98.8Very high96.8Very high0 Ų047.7 Ų47.70%023%0.234CC..EExtended strand (participates in β ladder)trans-124.7120.9180-56.6174.2000108.6V71 H72 V73 G74 V82 T83 L84 V170 L186 I189 M193V71-I168 HydrophobicContact CG1-CD1 3.63Å; V71-I168 HydrophobicContact CG1-CG1 4.03Å; H72-I168 PolarHBondContact O-N 3.14Å; V73-I168 CarbonylContact C-O 3.57Å; V73-I168 VanDerWaalsContact CA-O 3.28Å; V73-I168 WeakPolarHBondContact CA-O 3.23Å; G74-I168 PolarHBondContact N-O 2.83Å; V82-I168 HydrophobicContact CG1-CG2 3.38Å; T83-I168 CarbonylContact O-C 3.5Å; T83-I168 VanDerWaalsContact O-CA 3.32Å; T83-I168 WeakPolarHBondContact O-CA 3.37Å; L84-I168 HydrophobicContact CD2-CD1 4.27Å; L84-I168 HydrophobicContact CD2-CG1 3.89Å; L84-I168 HydrophobicContact CD2-CG2 4.27Å; I168-V170 HydrophobicContact CG2-CG1 4.44Å; I168-L186 HydrophobicContact CB-CD2 4.2Å; I168-L186 HydrophobicContact CD1-CD2 3.73Å; I168-L186 HydrophobicContact CG2-CD2 3.8Å; I168-I189 HydrophobicContact CD1-CB 4.4Å; I168-I189 HydrophobicContact CD1-CG2 3.64Å; I168-M193 HydrophobicContact CD1-CE 4.2Å; I168-M193 HydrophobicContact CG1-CE 4.37Å
169H98.5Very high96.7Very high16 Ų1648.3 Ų48.37%0.07424%0.24CC..EExtended strand (participates in β ladder)trans-86.1131.6165.5-81.3112.5000110.4G74 V82 T83 E85 A145 C150 F167G74-H169 CarbonylContact O-C 3.54Å; G74-H169 VanDerWaalsContact O-CA 3.28Å; G74-H169 WeakPolarHBondContact O-CA 3.28Å; V82-H169 CarbonylContact C-O 3.54Å; V82-H169 WeakPolarHBondContact CA-O 3.46Å; T83-H169 PolarHBondContact N-O 3.07Å; T83-H169 PolarHBondContact O-N 3.49Å; E85-H169 IonicContact OE1-CE1 2.85Å; E85-H169 IonicContact OE1-CG 3.93Å; E85-H169 IonicContact OE1-ND1 3.04Å; E85-H169 PolarHBondContact OE1-ND1 2.77Å; A145-H169 PolarHBondContact O-CE1 3.43Å; C150-H169 PolarHBondContact SG-NE2 3.1Å; C150-H169 VanDerWaalsContact SG-NE2 3.43Å; F167-H169 AromaticContact CD1-CE1 4Å; F167-H169 AromaticContact CE1-CD2 3.73Å; F167-H169 AromaticContact CE1-CE1 3.53Å; F167-H169 AromaticContact CE1-CG 3.93Å; F167-H169 AromaticContact CE1-ND1 3.82Å; F167-H169 AromaticContact CE1-NE2 3.47Å; F167-H169 WeakPolarHBondContact CE1-NE2 3.18Å
170V98.4Very high96.8Very high0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-107149.4169.7-62.30000110.3A23 V73 G74 V75 S76 V82 I168 L182 L186A23-V170 HydrophobicContact CB-CG2 4.26Å; V73-V170 HydrophobicContact CG1-CG1 3.76Å; V73-V170 HydrophobicContact CG1-CG2 4.19Å; G74-V170 PolarHBondContact O-N 3.47Å; V75-V170 WeakPolarHBondContact CA-O 3.45Å; S76-V170 PolarHBondContact N-O 3.34Å; V82-V170 HydrophobicContact CG2-CG1 4.43Å; I168-V170 HydrophobicContact CG2-CG1 4.44Å; V170-L182 HydrophobicContact CB-CD1 4.18Å; V170-L182 HydrophobicContact CB-CD2 4.22Å; V170-L182 HydrophobicContact CG1-CD2 4.36Å; V170-L182 HydrophobicContact CG2-CD1 4.48Å; V170-L186 HydrophobicContact CG1-CD2 4.32Å
171P97.5Very high96.8Very high0 Ų047.7 Ų47.70%024%0.239CC..PPolyproline II helixtrans-71.5168.2171.733.2-36.7000111.4A79 K175 Y177 L182A79-P171 HydrophobicContact CB-CB 4.21Å; A79-P171 WeakPolarHBondContact O-CB 3.33Å; P171-K175 WeakPolarHBondContact CB-O 3.49Å; P171-Y177 HydrophobicContact CG-CD2 3.67Å; P171-Y177 HydrophobicContact CG-CE2 4.25Å; P171-L182 HydrophobicContact CG-CD2 3.97Å
172P96.8Very high97Very high33 Ų3347.7 Ų47.721%0.21424%0.239CC..PPolyproline II helixtrans-61.5151.8176-20.834.1000112.3S76 G174 K175S76-P172 WeakPolarHBondContact O-CD 3.31Å; P172-G174 PolarHBondContact O-N 2.93Å; P172-K175 HydrophobicContact CB-CB 4.36Å; P172-K175 CarbonylContact O-C 3.53Å; P172-K175 PolarHBondContact O-N 2.68Å
173L96Very high97.3Very high65 Ų6536.7 Ų36.734%0.3420%0.197SC..THydrogen-bonded Turntrans-58.8134.4178.2-65.4174.8000111.6V21 A23 V26 K175 L182V21-L173 HydrophobicContact CG1-CD1 4.07Å; A23-L173 HydrophobicContact CB-CD2 4.04Å; A23-L173 HydrophobicContact CB-CG 3.7Å; V26-L173 HydrophobicContact CB-CD1 4.04Å; V26-L173 HydrophobicContact CB-CD2 4.2Å; V26-L173 HydrophobicContact CG1-CD1 4.1Å; V26-L173 HydrophobicContact CG1-CD2 3.99Å; V26-L173 HydrophobicContact CG2-CD1 3.9Å; L173-K175 PolarHBondContact O-N 2.79Å; L173-L182 HydrophobicContact CD2-CD1 4.16Å
174G95.1Very high97.4Very high56 Ų5641.3 Ų41.358%0.57721%0.214SC*.THydrogen-bonded Turntrans70.87.7-178.200000114.2P172 Y177P172-G174 PolarHBondContact O-N 2.93Å; G174-Y177 WeakPolarHBondContact CA-O 3.46Å; G174-Y177 PolarHBondContact N-O 3.16Å
175K94.4Very high97.6Very high153 Ų15335.8 Ų35.867%0.66519%0.193SC*.SBendtrans-141.280.1-174-64.5-175.2-177.3179.50111.8P171 P172 L173P171-K175 WeakPolarHBondContact CB-O 3.49Å; P172-K175 HydrophobicContact CB-CB 4.36Å; P172-K175 CarbonylContact O-C 3.53Å; P172-K175 PolarHBondContact O-N 2.68Å; L173-K175 PolarHBondContact O-N 2.79Å
176P96.2Very high97.7Very high70 Ų7035.8 Ų35.846%0.45519%0.193SC..SBendcis-96.8-3.62.336.2-34.4000114.1T80T80-P176 WeakPolarHBondContact O-CD 3.13Å; T80-P176 WeakPolarHBondContact O-CG 3.45Å
177Y97.8Very high97.7Very high30 Ų3037.2 Ų37.212%0.11820%0.2CC..  trans-109.5144.1-168.5-53.5-59.9000112.5G136 V137 A138 P171 G174 L182G136-Y177 WeakPolarHBondContact O-CE1 3.28Å; V137-Y177 HydrophobicContact CB-CE1 4.33Å; V137-Y177 HydrophobicContact CG1-CD2 3.99Å; V137-Y177 HydrophobicContact CG1-CE1 4.41Å; V137-Y177 HydrophobicContact CG1-CE2 3.75Å; V137-Y177 HydrophobicContact CG1-CG 4.44Å; V137-Y177 HydrophobicContact CG2-CD1 3.92Å; V137-Y177 HydrophobicContact CG2-CE1 4.1Å; V137-Y177 HydrophobicContact CG2-CG 4.16Å; A138-Y177 WeakPolarHBondContact CB-OH 3.28Å; A138-Y177 PolarHBondContact N-OH 2.92Å; P171-Y177 HydrophobicContact CG-CD2 3.67Å; P171-Y177 HydrophobicContact CG-CE2 4.25Å; G174-Y177 WeakPolarHBondContact CA-O 3.46Å; G174-Y177 PolarHBondContact N-O 3.16Å; Y177-L182 HydrophobicContact CD2-CD2 3.94Å; Y177-L182 HydrophobicContact CG-CD2 4.26Å
178S97.8Very high97.6Very high45 Ų4538.2 Ų38.232%0.31521%0.208SC..  trans-67.1162.2166.963.60000111.7E180 E181 L182S178-E180 PolarHBondContact O-N 2.89Å; S178-E181 WeakPolarHBondContact CB-OE2 3.48Å; S178-E181 PolarHBondContact N-OE2 2.77Å; S178-E181 PolarHBondContact O-N 3.45Å; S178-E181 WeakPolarHBondContact OG-CB 3.43Å; S178-E181 VanDerWaalsContact OG-CD 3.32Å; S178-E181 VanDerWaalsContact OG-CG 3.26Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 2.76Å; S178-E181 PolarHBondContact OG-OE2 3.06Å; S178-L182 WeakPolarHBondContact O-CG 3.42Å; S178-L182 PolarHBondContact O-N 2.9Å
179G98Very high97.6Very high12 Ų1238.2 Ų38.212%0.12421%0.208CC..Hα-helixtrans-57.9-36.7174.100000112.8L182 G183G179-L182 PolarHBondContact O-N 3.44Å; G179-G183 PolarHBondContact O-N 3.3Å
180E98.2Very high97.6Very high115 Ų11537.4 Ų37.454%0.53721%0.205SC..Hα-helixtrans-68.3-41.2179.1-62.6-177.1-179.500112.4S178 L182 G183 R184S178-E180 PolarHBondContact O-N 2.89Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-G183 PolarHBondContact O-N 3.23Å; E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 IonicContact OE2-NH1 3.46Å
181E98.3Very high97.6Very high57 Ų5742 Ų4227%0.26622%0.222SC..Hα-helixtrans-61.8-44174.3-75.3165.4132.300111V137 S178 G183 R184 A185V137-E181 HydrophobicContact CG2-CB 3.96Å; S178-E181 WeakPolarHBondContact CB-OE2 3.48Å; S178-E181 PolarHBondContact N-OE2 2.77Å; S178-E181 PolarHBondContact O-N 3.45Å; S178-E181 WeakPolarHBondContact OG-CB 3.43Å; S178-E181 VanDerWaalsContact OG-CD 3.32Å; S178-E181 VanDerWaalsContact OG-CG 3.26Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 2.76Å; S178-E181 PolarHBondContact OG-OE2 3.06Å; E181-G183 VanDerWaalsContact C-N 3.35Å; E181-R184 PolarHBondContact O-N 2.95Å; E181-A185 PolarHBondContact O-N 2.67Å
182L98.6Very high97.6Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-63.3-41.1174.4-64.2177.1000111.7A27 V82 V170 P171 L173 Y177 S178 G179 E180 R184 A185 L186A27-L182 HydrophobicContact CB-CB 3.63Å; A27-L182 HydrophobicContact CB-CD1 4.36Å; V82-L182 HydrophobicContact CG2-CD2 3.77Å; V170-L182 HydrophobicContact CB-CD1 4.18Å; V170-L182 HydrophobicContact CB-CD2 4.22Å; V170-L182 HydrophobicContact CG1-CD2 4.36Å; V170-L182 HydrophobicContact CG2-CD1 4.48Å; P171-L182 HydrophobicContact CG-CD2 3.97Å; L173-L182 HydrophobicContact CD2-CD1 4.16Å; Y177-L182 HydrophobicContact CD2-CD2 3.94Å; Y177-L182 HydrophobicContact CG-CD2 4.26Å; S178-L182 WeakPolarHBondContact O-CG 3.42Å; S178-L182 PolarHBondContact O-N 2.9Å; G179-L182 PolarHBondContact O-N 3.44Å; E180-L182 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.16Å; L182-A185 PolarHBondContact O-N 3.44Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.01Å
183G98.5Very high97.6Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-60.7-42.9175.700000113A27 M31 G179 E180 E181 L186 Q187A27-G183 WeakPolarHBondContact O-CA 3.46Å; M31-G183 WeakPolarHBondContact CB-O 3.5Å; G179-G183 PolarHBondContact O-N 3.3Å; E180-G183 PolarHBondContact O-N 3.23Å; E181-G183 VanDerWaalsContact C-N 3.35Å; G183-L186 PolarHBondContact O-N 3.17Å; G183-Q187 PolarHBondContact O-N 2.92Å
184R98.1Very high97.6Very high99 Ų9938.9 Ų38.937%0.37420%0.203SC..Hα-helixtrans-63.9-41.7173.5-72.5-170.8-64.1-88.87.3112.1L34 E180 E181 L182 Q187 A188L34-R184 HydrophobicContact CD1-CB 4.43Å; L34-R184 HydrophobicContact CD1-CG 3.73Å; E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 IonicContact OE2-NH1 3.46Å; E181-R184 PolarHBondContact O-N 2.95Å; L182-R184 PolarHBondContact O-N 3.16Å; R184-Q187 PolarHBondContact O-N 3.37Å; R184-A188 PolarHBondContact O-N 3.5Å
185A98.4Very high97.6Very high0 Ų040.4 Ų40.40%020%0.195CC..Hα-helixtrans-61.4-48.3175.200000112V82 L135 V137 E181 L182 Q187 A188 I189V82-A185 HydrophobicContact CG2-CB 4.33Å; L135-A185 HydrophobicContact CD1-CB 4.35Å; V137-A185 HydrophobicContact CB-CB 3.98Å; V137-A185 HydrophobicContact CG1-CB 3.8Å; V137-A185 HydrophobicContact CG2-CB 4.15Å; E181-A185 PolarHBondContact O-N 2.67Å; L182-A185 PolarHBondContact O-N 3.44Å; A185-Q187 VanDerWaalsContact C-N 3.32Å; A185-Q187 PolarHBondContact O-N 3.25Å; A185-A188 PolarHBondContact O-N 3.46Å; A185-I189 HydrophobicContact CB-CD1 4.46Å; A185-I189 WeakPolarHBondContact O-CB 3.5Å; A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.36Å; A185-I189 WeakPolarHBondContact O-CG1 3.17Å; A185-I189 PolarHBondContact O-N 2.64Å
186L98.8Very high97.6Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-58.3-44.5175.6-68.9178.6000111.6A27 V28 M31 V73 I168 V170 L182 G183 A188 I189 I190A27-L186 HydrophobicContact CB-CD1 3.65Å; V28-L186 HydrophobicContact CG2-CD1 4.15Å; M31-L186 HydrophobicContact CB-CB 4.11Å; M31-L186 HydrophobicContact CB-CD1 4.48Å; M31-L186 HydrophobicContact CG-CB 3.96Å; V73-L186 HydrophobicContact CG1-CD1 4.19Å; V73-L186 HydrophobicContact CG1-CD2 4.14Å; V73-L186 HydrophobicContact CG2-CD1 4.1Å; V73-L186 HydrophobicContact CG2-CD2 3.93Å; I168-L186 HydrophobicContact CB-CD2 4.2Å; I168-L186 HydrophobicContact CD1-CD2 3.73Å; I168-L186 HydrophobicContact CG2-CD2 3.8Å; V170-L186 HydrophobicContact CG1-CD2 4.32Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.01Å; G183-L186 PolarHBondContact O-N 3.17Å; L186-A188 PolarHBondContact O-N 2.76Å; L186-I189 PolarHBondContact O-N 3.43Å; L186-I190 WeakPolarHBondContact O-CB 3.29Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.03Å
187Q98.3Very high97.4Very high30 Ų3032.3 Ų32.314%0.1416%0.155CC..Hα-helixtrans-57.5-50.8176.6-175.2-171.548.100111.7M31 L34 G35 L36 G183 R184 A185 I190 R191M31-Q187 HydrophobicContact CG-CB 4.08Å; L34-Q187 VanDerWaalsContact CB-NE2 3.31Å; L34-Q187 HydrophobicContact CD1-CB 4.47Å; L34-Q187 PolarHBondContact O-NE2 2.93Å; G35-Q187 WeakPolarHBondContact O-CG 3.33Å; G35-Q187 PolarHBondContact O-NE2 3.18Å; L36-Q187 HydrophobicContact CD2-CG 4.17Å; G183-Q187 PolarHBondContact O-N 2.92Å; R184-Q187 PolarHBondContact O-N 3.37Å; A185-Q187 VanDerWaalsContact C-N 3.32Å; A185-Q187 PolarHBondContact O-N 3.25Å; Q187-I190 PolarHBondContact O-N 3.21Å; Q187-R191 VanDerWaalsContact NE2-NH2 3.19Å; Q187-R191 WeakPolarHBondContact O-CG 3.15Å; Q187-R191 PolarHBondContact O-N 3.12Å
188A98.1Very high97.1Very high21 Ų2132.6 Ų32.617%0.17416%0.158CC..Hα-helixtrans-62-46.6-178.900000111.5V129 L135 R184 A185 L186 I190 R191 E192V129-A188 HydrophobicContact CG1-CB 4.45Å; L135-A188 HydrophobicContact CD1-CB 4.08Å; R184-A188 PolarHBondContact O-N 3.5Å; A185-A188 PolarHBondContact O-N 3.46Å; L186-A188 PolarHBondContact O-N 2.76Å; A188-I190 PolarHBondContact O-N 2.92Å; A188-R191 PolarHBondContact O-N 3.11Å; A188-E192 WeakPolarHBondContact O-CG 3.31Å; A188-E192 PolarHBondContact O-N 3.4Å; A188-E192 VanDerWaalsContact O-N 3.13Å
189I98.6Very high96.8Very high0 Ų034.2 Ų34.20%016%0.161CC..Hα-helixtrans-59.1-49.6178.6-69.3160.2000111.1V82 L84 V125 V129 V139 I168 A185 L186 R191 E192 M193V82-I189 HydrophobicContact CG1-CD1 3.61Å; L84-I189 HydrophobicContact CD1-CG2 4.44Å; L84-I189 HydrophobicContact CD2-CD1 3.98Å; L84-I189 HydrophobicContact CD2-CG1 4.35Å; L84-I189 HydrophobicContact CD2-CG2 3.64Å; V125-I189 HydrophobicContact CG1-CG2 3.94Å; V129-I189 HydrophobicContact CB-CG1 4.49Å; V129-I189 HydrophobicContact CG1-CG1 3.99Å; V129-I189 HydrophobicContact CG2-CB 4.4Å; V129-I189 HydrophobicContact CG2-CG1 3.91Å; V139-I189 HydrophobicContact CG1-CD1 4.23Å; V139-I189 HydrophobicContact CG2-CD1 4.19Å; I168-I189 HydrophobicContact CD1-CB 4.4Å; I168-I189 HydrophobicContact CD1-CG2 3.64Å; A185-I189 HydrophobicContact CB-CD1 4.46Å; A185-I189 WeakPolarHBondContact O-CB 3.5Å; A185-I189 VanDerWaalsContact O-CD1 3.3Å; A185-I189 WeakPolarHBondContact O-CD1 3.36Å; A185-I189 WeakPolarHBondContact O-CG1 3.17Å; A185-I189 PolarHBondContact O-N 2.64Å; L186-I189 PolarHBondContact O-N 3.43Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.06Å; I189-E192 PolarHBondContact O-N 2.82Å; I189-M193 HydrophobicContact CG2-CE 3.53Å; I189-M193 HydrophobicContact CG2-CG 4.45Å; I189-M193 HydrophobicContact CG2-SD 4.16Å; I189-M193 VanDerWaalsContact O-CG 3.31Å; I189-M193 WeakPolarHBondContact O-CG 3.32Å; I189-M193 PolarHBondContact O-N 3.22Å
190I98.3Very high96.3Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-68.1-35.4-175.4-63.6170.3000111V8 V10 M31 L36 V71 L186 Q187 A188 M193 L194V8-I190 HydrophobicContact CG1-CG2 4.23Å; V10-I190 HydrophobicContact CG1-CD1 4.19Å; V10-I190 HydrophobicContact CG2-CD1 3.75Å; M31-I190 HydrophobicContact CE-CD1 4.41Å; L36-I190 HydrophobicContact CD1-CB 4.47Å; L36-I190 HydrophobicContact CD1-CG2 3.59Å; L36-I190 HydrophobicContact CD2-CB 3.93Å; L36-I190 HydrophobicContact CD2-CG2 3.89Å; L36-I190 HydrophobicContact CG-CG2 4.42Å; V71-I190 HydrophobicContact CB-CD1 4.27Å; V71-I190 HydrophobicContact CB-CG1 4.47Å; V71-I190 HydrophobicContact CG1-CD1 4.18Å; V71-I190 HydrophobicContact CG1-CG1 4.21Å; V71-I190 HydrophobicContact CG2-CD1 4.33Å; V71-I190 HydrophobicContact CG2-CG1 4.13Å; V71-I190 HydrophobicContact CG2-CG2 4.48Å; L186-I190 WeakPolarHBondContact O-CB 3.29Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 3.03Å; Q187-I190 PolarHBondContact O-N 3.21Å; A188-I190 PolarHBondContact O-N 2.92Å; I190-M193 WeakPolarHBondContact O-CB 3.35Å; I190-M193 PolarHBondContact O-N 3.33Å; I190-L194 HydrophobicContact CG2-CD1 4.34Å; I190-L194 VanDerWaalsContact O-CG 3.3Å; I190-L194 WeakPolarHBondContact O-CG 3.04Å; I190-L194 PolarHBondContact O-N 3.47Å
191R97.3Very high95.8Very high95 Ų9533.9 Ų33.936%0.35816%0.164SC..Hα-helixtrans-60.3-46.3172.9-76.8178.5171.5169.44.2111.8L36 Q187 A188 I189 M193 L194 E195L36-R191 HydrophobicContact CD2-CG 4.25Å; L36-R191 PolarHBondContact O-NE 3.06Å; Q187-R191 VanDerWaalsContact NE2-NH2 3.19Å; Q187-R191 WeakPolarHBondContact O-CG 3.15Å; Q187-R191 PolarHBondContact O-N 3.12Å; A188-R191 PolarHBondContact O-N 3.11Å; I189-R191 VanDerWaalsContact C-N 3.33Å; I189-R191 PolarHBondContact O-N 3.06Å; R191-M193 VanDerWaalsContact C-N 3.34Å; R191-M193 PolarHBondContact O-N 3.4Å; R191-L194 WeakPolarHBondContact O-CB 3.21Å; R191-L194 PolarHBondContact O-N 3.3Å; R191-L194 VanDerWaalsContact O-N 3.13Å; R191-E195 PolarHBondContact O-N 2.99Å
192E97.5Very high95.2Very high29 Ų2935.4 Ų35.414%0.13617%0.174CC..Hα-helixtrans-63.8-37.8177-69.3-63.416600112.8V125 R128 V129 A188 I189 L194 E195 L196V125-E192 HydrophobicContact CG1-CB 4.2Å; R128-E192 HydrophobicContact CB-CG 4.12Å; R128-E192 WeakPolarHBondContact CB-OE2 3.06Å; R128-E192 WeakPolarHBondContact CD-OE2 3.42Å; R128-E192 IonicContact NH1-OE2 3.61Å; V129-E192 HydrophobicContact CG2-CB 4.05Å; V129-E192 HydrophobicContact CG2-CG 3.68Å; A188-E192 WeakPolarHBondContact O-CG 3.31Å; A188-E192 PolarHBondContact O-N 3.4Å; A188-E192 VanDerWaalsContact O-N 3.13Å; I189-E192 PolarHBondContact O-N 2.82Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.14Å; E192-E195 PolarHBondContact O-N 3.07Å; E192-L196 WeakPolarHBondContact O-CG 3.44Å; E192-L196 PolarHBondContact O-N 3.23Å
193M97.7Very high94.5Very high0 Ų041.1 Ų41.10%020%0.201CC..Hα-helixtrans-58.9-44.6172.2-67.2175.8169.900111.4L69 V71 L84 I120 M122 V125 A166 I168 I189 I190 R191 L196 L197L69-M193 HydrophobicContact CD2-CB 4.06Å; L69-M193 HydrophobicContact CD2-SD 4.29Å; V71-M193 HydrophobicContact CG2-SD 4.26Å; L84-M193 HydrophobicContact CD2-CE 4.38Å; I120-M193 HydrophobicContact CD1-CB 4.18Å; I120-M193 HydrophobicContact CD1-CG 4.32Å; I120-M193 HydrophobicContact CD1-SD 4.31Å; I120-M193 HydrophobicContact CG2-CB 4.32Å; I120-M193 HydrophobicContact CG2-CG 4.05Å; M122-M193 HydrophobicContact CE-CE 4.13Å; M122-M193 HydrophobicContact SD-CE 3.73Å; V125-M193 HydrophobicContact CG1-CE 4.46Å; V125-M193 HydrophobicContact CG1-CG 4.07Å; V125-M193 HydrophobicContact CG2-CG 3.79Å; A166-M193 HydrophobicContact CB-CE 3.8Å; A166-M193 HydrophobicContact CB-SD 3.89Å; I168-M193 HydrophobicContact CD1-CE 4.2Å; I168-M193 HydrophobicContact CG1-CE 4.37Å; I189-M193 HydrophobicContact CG2-CE 3.53Å; I189-M193 HydrophobicContact CG2-CG 4.45Å; I189-M193 HydrophobicContact CG2-SD 4.16Å; I189-M193 VanDerWaalsContact O-CG 3.31Å; I189-M193 WeakPolarHBondContact O-CG 3.32Å; I189-M193 PolarHBondContact O-N 3.22Å; I190-M193 WeakPolarHBondContact O-CB 3.35Å; I190-M193 PolarHBondContact O-N 3.33Å; R191-M193 VanDerWaalsContact C-N 3.34Å; R191-M193 PolarHBondContact O-N 3.4Å; M193-L196 PolarHBondContact O-N 3.46Å; M193-L197 VanDerWaalsContact O-CG 3.31Å; M193-L197 WeakPolarHBondContact O-CG 3.3Å; M193-L197 PolarHBondContact O-N 2.96Å; M193-L197 VanDerWaalsContact O-N 3.09Å
194L96.1Very high93.8Very high4 Ų445.2 Ų45.22%0.02122%0.222CC..Hα-helixtrans-67.1-40.8179.9-69.5172.4000112.3V8 V40 L69 I190 R191 E192 L197 D198V8-L194 HydrophobicContact CG2-CD1 4.05Å; V8-L194 HydrophobicContact CG2-CD2 3.75Å; V8-L194 HydrophobicContact CG2-CG 4.43Å; V40-L194 HydrophobicContact CG1-CD1 4.45Å; V40-L194 HydrophobicContact CG2-CD1 3.91Å; L69-L194 HydrophobicContact CD2-CD2 4.45Å; I190-L194 HydrophobicContact CG2-CD1 4.34Å; I190-L194 VanDerWaalsContact O-CG 3.3Å; I190-L194 WeakPolarHBondContact O-CG 3.04Å; I190-L194 PolarHBondContact O-N 3.47Å; R191-L194 WeakPolarHBondContact O-CB 3.21Å; R191-L194 PolarHBondContact O-N 3.3Å; R191-L194 VanDerWaalsContact O-N 3.13Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.14Å; L194-L197 PolarHBondContact O-N 3.38Å; L194-D198 VanDerWaalsContact O-CG 3.22Å; L194-D198 PolarHBondContact O-N 3.31Å
195E94.7Very high93Very high88 Ų8847.1 Ų47.141%0.41123%0.229SC..Hα-helixtrans-63.5-41.7176.4-72.6-176.3-16600112.2R128 R191 E192 L197 D198 Q199R128-E195 IonicContact NH1-OE2 3.97Å; R191-E195 PolarHBondContact O-N 2.99Å; E192-E195 PolarHBondContact O-N 3.07Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.99Å; E195-D198 PolarHBondContact O-N 2.87Å; E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.36Å
196L94.4Very high91.9Very high28 Ų2851 Ų5115%0.14726%0.255CS..Hα-helixtrans-64.1-38.9175.8-76.3170.5000112.2V125 R128 E192 M193 Q199 A200V125-L196 HydrophobicContact CB-CD1 4.4Å; V125-L196 HydrophobicContact CG2-CD1 3.47Å; V125-L196 VanDerWaalsContact CG2-CD1 3.47Å; R128-L196 VanDerWaalsContact NH2-CD2 3.29Å; E192-L196 WeakPolarHBondContact O-CG 3.44Å; E192-L196 PolarHBondContact O-N 3.23Å; M193-L196 PolarHBondContact O-N 3.46Å; L196-Q199 PolarHBondContact O-N 3.18Å; L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 2.92Å
197L93.1Very high90.7Very high26 Ų2657.4 Ų57.414%0.13629%0.285CS..Hα-helixtrans-63.9-40.1175.3-73.2170.9000111.9R68 L69 V119 I120 M193 L194 E195 A200 E201R68-L197 VanDerWaalsContact NH2-C 3.34Å; R68-L197 PolarHBondContact NH2-O 3.45Å; L69-L197 HydrophobicContact CB-CD1 4.42Å; L69-L197 HydrophobicContact CD2-CD1 4.25Å; V119-L197 HydrophobicContact CG2-CD2 4.24Å; I120-L197 HydrophobicContact CD1-CD1 4.33Å; I120-L197 HydrophobicContact CG1-CD1 4.29Å; I120-L197 HydrophobicContact CG1-CD2 4.02Å; I120-L197 HydrophobicContact CG1-CG 4.19Å; M193-L197 VanDerWaalsContact O-CG 3.31Å; M193-L197 WeakPolarHBondContact O-CG 3.3Å; M193-L197 PolarHBondContact O-N 2.96Å; M193-L197 VanDerWaalsContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 3.38Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.99Å; L197-A200 PolarHBondContact O-N 3.01Å; L197-E201 WeakPolarHBondContact O-CG 3.3Å; L197-E201 PolarHBondContact O-N 3.43Å; L197-E201 VanDerWaalsContact O-N 3.11Å
198D91.3Very high89.4Confident35 Ų3562.5 Ų62.519%0.18731%0.309CS..Hα-helixtrans-63.9-46.7176.1-62.9-15.5000111.9R6 R68 L194 E195 A200 E201 D202R6-D198 IonicContact CZ-OD1 3.15Å; R6-D198 IonicContact CZ-OD2 2.81Å; R6-D198 IonicContact NH1-OD1 3.32Å; R6-D198 PolarHBondContact NH1-OD1 2.92Å; R6-D198 VanDerWaalsContact NH1-OD1 3.07Å; R6-D198 IonicContact NH1-OD2 2.71Å; R6-D198 PolarHBondContact NH1-OD2 3.34Å; R6-D198 VanDerWaalsContact NH2-CG 3.25Å; R6-D198 IonicContact NH2-OD1 2.76Å; R6-D198 PolarHBondContact NH2-OD1 2.89Å; R6-D198 VanDerWaalsContact NH2-OD1 3.16Å; R6-D198 IonicContact NH2-OD2 3.88Å; R6-D198 PolarHBondContact NH2-OD2 2.81Å; R68-D198 IonicContact CZ-OD1 3.19Å; R68-D198 IonicContact NE-OD1 2.66Å; R68-D198 IonicContact NH2-OD1 2.77Å; R68-D198 PolarHBondContact NH2-OD1 2.9Å; L194-D198 VanDerWaalsContact O-CG 3.22Å; L194-D198 PolarHBondContact O-N 3.31Å; E195-D198 PolarHBondContact O-N 2.87Å; D198-A200 VanDerWaalsContact C-N 3.26Å; D198-A200 PolarHBondContact O-N 2.89Å; D198-E201 PolarHBondContact O-N 3.3Å; D198-E201 VanDerWaalsContact O-N 3.13Å; D198-D202 PolarHBondContact O-N 3.2Å
199Q90.2Very high87.7Confident79 Ų7969.2 Ų69.237%0.36934%0.336SS..Hα-helixtrans-60.4-38.7179.5-71.1171.15.200111.6E195 L196 Q203E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.36Å; L196-Q199 PolarHBondContact O-N 3.18Å; Q199-Q203 WeakPolarHBondContact O-CB 3.34Å; Q199-Q203 VanDerWaalsContact O-CG 3.23Å; Q199-Q203 WeakPolarHBondContact O-CG 3.44Å; Q199-Q203 PolarHBondContact O-N 3.37Å
200A88.5Confident85.6Confident45 Ų4575.6 Ų75.637%0.37237%0.369SS..Hα-helixtrans-65.2-42.6175.600000111.9L196 L197 D198 Q203 I204L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 2.92Å; L197-A200 PolarHBondContact O-N 3.01Å; D198-A200 VanDerWaalsContact C-N 3.26Å; D198-A200 PolarHBondContact O-N 2.89Å; A200-Q203 PolarHBondContact O-N 3.4Å; A200-I204 WeakPolarHBondContact O-CD1 3.39Å; A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.22Å; A200-I204 PolarHBondContact O-N 3.24Å; A200-I204 VanDerWaalsContact O-N 3.12Å
201E86.6Confident83.1Confident76 Ų7686.6 Ų86.636%0.35542%0.42SS..Hα-helixtrans-66.7-41177.7-75.3175.7177.800112.7R68 L197 D198 Q203 I204 R205R68-E201 IonicContact CZ-OE1 3.58Å; R68-E201 IonicContact CZ-OE2 2.9Å; R68-E201 IonicContact NH1-OE1 3.67Å; R68-E201 PolarHBondContact NH1-OE1 3.38Å; R68-E201 IonicContact NH1-OE2 3.74Å; R68-E201 PolarHBondContact NH1-OE2 3.2Å; R68-E201 IonicContact NH2-OE1 2.71Å; R68-E201 PolarHBondContact NH2-OE1 3.09Å; R68-E201 IonicContact NH2-OE2 3.82Å; R68-E201 PolarHBondContact NH2-OE2 3.41Å; L197-E201 WeakPolarHBondContact O-CG 3.3Å; L197-E201 PolarHBondContact O-N 3.43Å; L197-E201 VanDerWaalsContact O-N 3.11Å; D198-E201 PolarHBondContact O-N 3.3Å; D198-E201 VanDerWaalsContact O-N 3.13Å; E201-Q203 VanDerWaalsContact C-N 3.35Å; E201-I204 PolarHBondContact O-N 3.09Å; E201-R205 WeakPolarHBondContact O-CG 3.28Å; E201-R205 PolarHBondContact O-N 2.93Å
202D86.4Confident82.4Confident88 Ų8886.2 Ų86.247%0.47142%0.423SS..Hα-helixtrans-64.5-40.2177-73.7-21000111.4D198 I204 R205 C206D198-D202 PolarHBondContact O-N 3.2Å; D202-I204 PolarHBondContact O-N 3.29Å; D202-R205 PolarHBondContact O-N 2.87Å; D202-C206 WeakPolarHBondContact O-CB 3.36Å; D202-C206 PolarHBondContact O-N 3.24Å; D202-C206 PolarHBondContact O-SG 3.45Å
203Q83.8Confident81.6Confident120 Ų12089.2 Ų89.256%0.56144%0.438SS*.Hα-helixtrans-61.4-43.7174.2-75.617416.100112Q199 A200 E201 C206 Q207Q199-Q203 WeakPolarHBondContact O-CB 3.34Å; Q199-Q203 VanDerWaalsContact O-CG 3.23Å; Q199-Q203 WeakPolarHBondContact O-CG 3.44Å; Q199-Q203 PolarHBondContact O-N 3.37Å; A200-Q203 PolarHBondContact O-N 3.4Å; E201-Q203 VanDerWaalsContact C-N 3.35Å; Q203-C206 PolarHBondContact O-N 2.83Å; Q203-Q207 WeakPolarHBondContact O-CB 3.39Å; Q203-Q207 VanDerWaalsContact O-CG 3.26Å; Q203-Q207 WeakPolarHBondContact O-CG 3.44Å; Q203-Q207 PolarHBondContact O-N 3.25Å
204I82.9Confident80.7Confident87 Ų8794.1 Ų94.145%0.44646%0.462SS..Hα-helixtrans-62.9-45177.1-67.2163.4000110.5A200 E201 D202 Q207 Q208A200-I204 WeakPolarHBondContact O-CD1 3.39Å; A200-I204 VanDerWaalsContact O-CG1 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.22Å; A200-I204 PolarHBondContact O-N 3.24Å; A200-I204 VanDerWaalsContact O-N 3.12Å; E201-I204 PolarHBondContact O-N 3.09Å; D202-I204 PolarHBondContact O-N 3.29Å; I204-Q207 PolarHBondContact O-N 3.28Å; I204-Q208 WeakPolarHBondContact O-CG 3.42Å; I204-Q208 PolarHBondContact O-N 3.27Å; I204-Q208 VanDerWaalsContact O-N 3.1Å
205R82.8Confident79.8Confident139 Ų13999.4 Ų99.453%0.52549%0.488SS..Hα-helixtrans-62.7-42.9178.7-75174.4175-173.3-1.2112.4E201 D202 Q208 H209E201-R205 WeakPolarHBondContact O-CG 3.28Å; E201-R205 PolarHBondContact O-N 2.93Å; D202-R205 PolarHBondContact O-N 2.87Å; R205-Q208 PolarHBondContact O-N 2.9Å; R205-H209 PolarHBondContact O-N 2.85Å; R205-H209 PolarHBondContact O-ND1 2.68Å
206C75.5Confident78.8Confident81 Ų81100.1 Ų100.155%0.54749%0.493SS..Hα-helixtrans-64-41.2176.8-75.20000111.9D202 Q203 Q208 H209 I210D202-C206 WeakPolarHBondContact O-CB 3.36Å; D202-C206 PolarHBondContact O-N 3.24Å; D202-C206 PolarHBondContact O-SG 3.45Å; Q203-C206 PolarHBondContact O-N 2.83Å; C206-Q208 VanDerWaalsContact C-N 3.31Å; C206-Q208 PolarHBondContact O-N 2.95Å; C206-H209 PolarHBondContact O-N 3.07Å; C206-I210 WeakPolarHBondContact O-CD1 2.94Å; C206-I210 WeakPolarHBondContact O-CG1 3.31Å
207Q73.4Confident77.8Confident135 Ų135104.9 Ų104.963%0.63152%0.516SS*.Hα-helixtrans-65.4-33.9177.5-73.1171.52.400112.6Q203 I204 H209 I210Q203-Q207 WeakPolarHBondContact O-CB 3.39Å; Q203-Q207 VanDerWaalsContact O-CG 3.26Å; Q203-Q207 WeakPolarHBondContact O-CG 3.44Å; Q203-Q207 PolarHBondContact O-N 3.25Å; I204-Q207 PolarHBondContact O-N 3.28Å; Q207-H209 VanDerWaalsContact C-N 3.34Å; Q207-H209 PolarHBondContact O-N 2.92Å; Q207-I210 PolarHBondContact O-N 3.12Å
208Q70.6Confident76.7Confident136 Ų136110.6 Ų110.664%0.63654%0.543SS*.Hα-helixtrans-74.5-18178.4-72175.3-9.600114.4I204 R205 C206I204-Q208 WeakPolarHBondContact O-CG 3.42Å; I204-Q208 PolarHBondContact O-N 3.27Å; I204-Q208 VanDerWaalsContact O-N 3.1Å; R205-Q208 PolarHBondContact O-N 2.9Å; C206-Q208 VanDerWaalsContact C-N 3.31Å; C206-Q208 PolarHBondContact O-N 2.95Å
209H61.7Low75.6Confident163 Ų163116.4 Ų116.476%0.75557%0.571SS**THydrogen-bonded Turntrans-92.2-0.7176.7-77.973.8000113.5R205 C206 Q207R205-H209 PolarHBondContact O-N 2.85Å; R205-H209 PolarHBondContact O-ND1 2.68Å; C206-H209 PolarHBondContact O-N 3.07Å; Q207-H209 VanDerWaalsContact C-N 3.34Å; Q207-H209 PolarHBondContact O-N 2.92Å
210I55.3Low74.3Confident133 Ų133119.5 Ų119.568%0.68259%0.587SS**  trans-981.7179.9-63.8168.5000111.3C206 Q207C206-I210 WeakPolarHBondContact O-CD1 2.94Å; C206-I210 WeakPolarHBondContact O-CG1 3.31Å; Q207-I210 PolarHBondContact O-N 3.12Å
211H44.7Very low73Confident231 Ų231126.3 Ų126.3100%1.06961%0.607SS**  trans-125.30172.6-78.58.1000110.6

Retrieved 211 of 211 residues in 200.7 ms (Link to these results)

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