A0A096LWM9_POEFO Loading...

NIF3-like protein 1

AlphaFold DB , UniProt , Accession A0A096LWM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 268 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
1M91.6Very high96.7Very high112 Ų11271.7 Ų71.755%0.55235%0.347SS*.  0148.20-69.8170.366.100107.7E5 V6 V9 I37M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.39Å; M1-E5 HydrophobicContact CE-CB 3.92Å; M1-V6 HydrophobicContact CB-CG2 3.57Å; M1-V6 HydrophobicContact CE-CG2 4.12Å; M1-V6 HydrophobicContact SD-CG2 4.26Å; M1-V9 HydrophobicContact CE-CG2 4.03Å; M1-I37 PolarHBondContact N-O 3.47Å; M1-I37 PolarHBondContact O-N 3.43Å
2E96.2Very high96.5Very high93 Ų9378.1 Ų78.144%0.43538%0.376SS..  trans-68.2150.9170.6-66.9-57.312900109.9K4 E5 V6E2-K4 PolarHBondContact O-N 3.3Å; E2-E5 HydrophobicContact CB-CG 4.16Å; E2-E5 PolarHBondContact N-OE2 3.36Å; E2-E5 WeakPolarHBondContact O-CB 3.47Å; E2-E5 PolarHBondContact O-N 3.11Å; E2-V6 PolarHBondContact O-N 3.32Å; E2-V6 VanDerWaalsContact O-N 3.12Å
3L97.2Very high96.3Very high20 Ų2079 Ų7911%0.10538%0.383CS..Hα-helixtrans-52.3-45.1-178.417559.7000111.6E5 V6 L7 L27 E30 I37 A95L3-E5 VanDerWaalsContact C-N 3.28Å; L3-E5 PolarHBondContact O-N 3.16Å; L3-V6 PolarHBondContact O-N 3.45Å; L3-V6 VanDerWaalsContact O-N 3.13Å; L3-L7 HydrophobicContact CD1-CD1 4.14Å; L3-L7 HydrophobicContact CD1-CD2 4.32Å; L3-L7 HydrophobicContact CD1-CG 4Å; L3-L7 HydrophobicContact CG-CD1 3.94Å; L3-L7 HydrophobicContact CG-CG 4.26Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 2.87Å; L3-L27 HydrophobicContact CD2-CD1 4.41Å; L3-L27 HydrophobicContact CD2-CD2 4.3Å; L3-E30 HydrophobicContact CD2-CG 4.01Å; L3-I37 HydrophobicContact CB-CD1 4.31Å; L3-I37 HydrophobicContact CB-CG1 4.24Å; L3-I37 HydrophobicContact CD1-CD1 4.14Å; L3-I37 HydrophobicContact CD1-CG1 4.28Å; L3-A95 HydrophobicContact CD1-CB 3.82Å; L3-A95 HydrophobicContact CD2-CB 4.05Å
4K96.6Very high96.1Very high154 Ų15473.4 Ų73.467%0.6736%0.357SS*.Hα-helixtrans-56.2-40.7177.8-175.6178.4178.8-179.60113E2 L7 Q8E2-K4 PolarHBondContact O-N 3.3Å; K4-L7 PolarHBondContact O-N 2.93Å; K4-Q8 WeakPolarHBondContact O-CG 3.31Å; K4-Q8 PolarHBondContact O-N 2.96Å
5E97.7Very high96Very high91 Ų9171.3 Ų71.343%0.42535%0.351SS..Hα-helixtrans-68.7-41.1179.1-59.8172.9149.600110.8M1 E2 L3 Q8 V9M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.39Å; M1-E5 HydrophobicContact CE-CB 3.92Å; E2-E5 HydrophobicContact CB-CG 4.16Å; E2-E5 PolarHBondContact N-OE2 3.36Å; E2-E5 WeakPolarHBondContact O-CB 3.47Å; E2-E5 PolarHBondContact O-N 3.11Å; L3-E5 VanDerWaalsContact C-N 3.28Å; L3-E5 PolarHBondContact O-N 3.16Å; E5-Q8 PolarHBondContact O-N 3.27Å; E5-V9 WeakPolarHBondContact O-CG2 3.35Å; E5-V9 PolarHBondContact O-N 3.22Å; E5-V9 VanDerWaalsContact O-N 3.12Å
6V98Very high96Very high17 Ų1769.6 Ų69.610%0.10334%0.343CS..Hα-helixtrans-63.4-43.8176.1179.50000110.8M1 E2 L3 Q8 V9 L10 I37 L61M1-V6 HydrophobicContact CB-CG2 3.57Å; M1-V6 HydrophobicContact CE-CG2 4.12Å; M1-V6 HydrophobicContact SD-CG2 4.26Å; E2-V6 PolarHBondContact O-N 3.32Å; E2-V6 VanDerWaalsContact O-N 3.12Å; L3-V6 PolarHBondContact O-N 3.45Å; L3-V6 VanDerWaalsContact O-N 3.13Å; V6-Q8 VanDerWaalsContact C-N 3.33Å; V6-Q8 PolarHBondContact O-N 2.95Å; V6-V9 PolarHBondContact O-N 3.42Å; V6-V9 VanDerWaalsContact O-N 3.16Å; V6-L10 HydrophobicContact CG1-CD1 4.1Å; V6-L10 HydrophobicContact CG1-CG 4.36Å; V6-L10 WeakPolarHBondContact O-CG 3.09Å; V6-L10 PolarHBondContact O-N 2.79Å; V6-I37 HydrophobicContact CG2-CB 3.88Å; V6-I37 HydrophobicContact CG2-CG1 4.02Å; V6-I37 HydrophobicContact CG2-CG2 4.15Å; V6-L61 HydrophobicContact CG1-CD2 3.65Å
7L97.9Very high95.8Very high21 Ų2170.6 Ų70.611%0.1136%0.359CS..Hα-helixtrans-60.6-42.8176.9-66.7174.7000111.6L3 K4 V9 L10 E11 L27 F97L3-L7 HydrophobicContact CD1-CD1 4.14Å; L3-L7 HydrophobicContact CD1-CD2 4.32Å; L3-L7 HydrophobicContact CD1-CG 4Å; L3-L7 HydrophobicContact CG-CD1 3.94Å; L3-L7 HydrophobicContact CG-CG 4.26Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 2.87Å; K4-L7 PolarHBondContact O-N 2.93Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.29Å; L7-L10 HydrophobicContact CD2-CD1 4.45Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 WeakPolarHBondContact O-CG 3.32Å; L7-E11 PolarHBondContact O-N 3.26Å; L7-L27 HydrophobicContact CD1-CB 4.25Å; L7-L27 HydrophobicContact CD1-CD1 4.35Å; L7-L27 HydrophobicContact CD1-CD2 3.86Å; L7-L27 HydrophobicContact CD1-CG 4.39Å; L7-L27 HydrophobicContact CD2-CB 4.36Å; L7-L27 HydrophobicContact CD2-CD1 4.26Å; L7-F97 HydrophobicContact CD2-CB 4.44Å; L7-F97 HydrophobicContact CD2-CD2 3.44Å; L7-F97 VanDerWaalsContact CD2-CD2 3.44Å; L7-F97 HydrophobicContact CD2-CE2 3.97Å; L7-F97 HydrophobicContact CD2-CG 4.2Å
8Q97.6Very high95.7Very high100 Ų10067.4 Ų67.447%0.46734%0.343SS..Hα-helixtrans-59.1-40.4174.8-74.4173-13.400112.4K4 E5 V6 Q12K4-Q8 WeakPolarHBondContact O-CG 3.31Å; K4-Q8 PolarHBondContact O-N 2.96Å; E5-Q8 PolarHBondContact O-N 3.27Å; V6-Q8 VanDerWaalsContact C-N 3.33Å; V6-Q8 PolarHBondContact O-N 2.95Å; Q8-Q12 VanDerWaalsContact O-CG 3.25Å; Q8-Q12 WeakPolarHBondContact O-CG 3.49Å; Q8-Q12 PolarHBondContact O-N 3.34Å
9V97.8Very high95.7Very high65 Ų6565.1 Ų65.139%0.39434%0.335SS..Hα-helixtrans-66.3-44.2175.1173.80000111.1M1 E5 V6 L7 E11 Q12 L13M1-V9 HydrophobicContact CE-CG2 4.03Å; E5-V9 WeakPolarHBondContact O-CG2 3.35Å; E5-V9 PolarHBondContact O-N 3.22Å; E5-V9 VanDerWaalsContact O-N 3.12Å; V6-V9 PolarHBondContact O-N 3.42Å; V6-V9 VanDerWaalsContact O-N 3.16Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.29Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.45Å; V9-Q12 WeakPolarHBondContact O-CB 3.37Å; V9-Q12 PolarHBondContact O-N 2.98Å; V9-Q12 VanDerWaalsContact O-N 3.16Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.37Å; V9-L13 VanDerWaalsContact O-N 3.11Å
10L97.6Very high95.6Very high32 Ų3265 Ų6517%0.16833%0.333CS..Hα-helixtrans-61.8-40.1177.4-68173.2000111.9V6 L7 Q12 L13 A14 L61 V63 F97V6-L10 HydrophobicContact CG1-CD1 4.1Å; V6-L10 HydrophobicContact CG1-CG 4.36Å; V6-L10 WeakPolarHBondContact O-CG 3.09Å; V6-L10 PolarHBondContact O-N 2.79Å; L7-L10 HydrophobicContact CD2-CD1 4.45Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L10-Q12 VanDerWaalsContact C-N 3.32Å; L10-Q12 PolarHBondContact O-N 2.76Å; L10-L13 HydrophobicContact CD2-CD1 4.5Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.35Å; L10-A14 PolarHBondContact O-N 3.2Å; L10-L61 HydrophobicContact CD1-CD2 4.08Å; L10-V63 HydrophobicContact CD1-CG2 4.12Å; L10-V63 HydrophobicContact CD2-CG2 4.48Å; L10-F97 HydrophobicContact CB-CE1 4.01Å; L10-F97 HydrophobicContact CB-CZ 3.95Å; L10-F97 HydrophobicContact CD1-CD1 3.83Å; L10-F97 HydrophobicContact CD1-CD2 4.43Å; L10-F97 HydrophobicContact CD1-CE1 4.08Å; L10-F97 HydrophobicContact CD1-CG 4.02Å; L10-F97 HydrophobicContact CD1-CZ 4.47Å
11E95.4Very high95.4Very high84 Ų8467.8 Ų67.839%0.39336%0.358SS..Hα-helixtrans-71.1-24.9176.2-69.6-175.9-154.800113.1L7 V9 A14 P15 L16L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 WeakPolarHBondContact O-CG 3.32Å; L7-E11 PolarHBondContact O-N 3.26Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.45Å; E11-A14 CarbonylContact O-C 3.58Å; E11-P15 WeakPolarHBondContact O-CA 3.24Å; E11-P15 WeakPolarHBondContact O-CD 3.43Å; E11-P15 WeakPolarHBondContact O-CG 3.22Å; E11-L16 HydrophobicContact CG-CD1 4.17Å; E11-L16 HydrophobicContact CG-CG 4.02Å
12Q94.3Very high95.5Very high148 Ų14869.3 Ų69.369%0.69236%0.358SS*.Hα-helixtrans-71.3-33169-74168.216.100111.9Q8 V9 L10Q8-Q12 VanDerWaalsContact O-CG 3.25Å; Q8-Q12 WeakPolarHBondContact O-CG 3.49Å; Q8-Q12 PolarHBondContact O-N 3.34Å; V9-Q12 WeakPolarHBondContact O-CB 3.37Å; V9-Q12 PolarHBondContact O-N 2.98Å; V9-Q12 VanDerWaalsContact O-N 3.16Å; L10-Q12 VanDerWaalsContact C-N 3.32Å; L10-Q12 PolarHBondContact O-N 2.76Å
13L94.1Very high95.6Very high90 Ų9066 Ų6647%0.47134%0.343SS..Hα-helixtrans-73.7-41.7177.4-66.1173.4000112.1V9 L10 W103 M106V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.37Å; V9-L13 VanDerWaalsContact O-N 3.11Å; L10-L13 HydrophobicContact CD2-CD1 4.5Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.35Å; L13-W103 HydrophobicContact CB-CH2 3.85Å; L13-W103 HydrophobicContact CB-CZ3 3.57Å; L13-M106 VanDerWaalsContact O-CE 3.3Å; L13-M106 WeakPolarHBondContact O-CE 3.23Å
14A94.1Very high95.6Very high1 Ų168 Ų681%0.00835%0.354CS..SBendtrans-143.297.9170.600000111.1L10 E11 L16 W103 M106L10-A14 PolarHBondContact O-N 3.2Å; E11-A14 CarbonylContact O-C 3.58Å; A14-L16 PolarHBondContact O-N 3.43Å; A14-W103 HydrophobicContact CB-CB 4.44Å; A14-W103 HydrophobicContact CB-CD2 4.12Å; A14-W103 HydrophobicContact CB-CE3 3.21Å; A14-W103 HydrophobicContact CB-CZ3 3.65Å; A14-M106 HydrophobicContact CB-CG 3.66Å; A14-M106 HydrophobicContact CB-SD 4.24Å
15P94.7Very high95.6Very high42 Ų4262 Ų6227%0.27333%0.33SS..  trans-56.8126.9178.9-2633.7000111.5E11 S17 L18 S102E11-P15 WeakPolarHBondContact O-CA 3.24Å; E11-P15 WeakPolarHBondContact O-CD 3.43Å; E11-P15 WeakPolarHBondContact O-CG 3.22Å; P15-S17 PolarHBondContact O-N 3.11Å; P15-L18 HydrophobicContact CB-CD1 4.44Å; P15-L18 HydrophobicContact CB-CG 4.32Å; P15-L18 HydrophobicContact CG-CD1 4.37Å; P15-L18 WeakPolarHBondContact O-CB 3.08Å; P15-L18 PolarHBondContact O-N 3.44Å; P15-S102 WeakPolarHBondContact O-CB 3.18Å
16L95.1Very high95.6Very high44 Ų4457.9 Ų57.923%0.2331%0.312CS..G310 helixtrans-60.9-21.4-179.4-56.3-179000112.7E11 A14 L18 A19 V25 F97E11-L16 HydrophobicContact CG-CD1 4.17Å; E11-L16 HydrophobicContact CG-CG 4.02Å; A14-L16 PolarHBondContact O-N 3.43Å; L16-L18 PolarHBondContact O-N 2.97Å; L16-A19 VanDerWaalsContact O-CB 3.26Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.41Å; L16-A19 VanDerWaalsContact O-N 3.08Å; L16-V25 HydrophobicContact CB-CG2 4.01Å; L16-V25 HydrophobicContact CD2-CB 4.03Å; L16-V25 HydrophobicContact CD2-CG2 3.85Å; L16-V25 HydrophobicContact CG-CG2 4.37Å; L16-F97 HydrophobicContact CD2-CE2 4.33Å; L16-F97 HydrophobicContact CD2-CZ 3.97Å
17S92.3Very high95.6Very high87 Ų8759.7 Ų59.761%0.60832%0.321SS*.G310 helixtrans-64.7-13.9173.958.40000114.4P15P15-S17 PolarHBondContact O-N 3.11Å
18L94.3Very high95.6Very high12 Ų1260.1 Ų60.16%0.06332%0.323CS..G310 helixtrans-89.6-5.8174.4-59.7179.7000113.6P15 L16 S105 M106 A129 L215P15-L18 HydrophobicContact CB-CD1 4.44Å; P15-L18 HydrophobicContact CB-CG 4.32Å; P15-L18 HydrophobicContact CG-CD1 4.37Å; P15-L18 WeakPolarHBondContact O-CB 3.08Å; P15-L18 PolarHBondContact O-N 3.44Å; L16-L18 PolarHBondContact O-N 2.97Å; L18-S105 WeakPolarHBondContact O-CB 3.32Å; L18-S105 PolarHBondContact O-OG 3.01Å; L18-M106 HydrophobicContact CD1-SD 3.42Å; L18-M106 WeakPolarHBondContact CD1-SD 3.26Å; L18-A129 HydrophobicContact CD2-CB 3.99Å; L18-L215 HydrophobicContact CD2-CD1 3.51Å
19A95.5Very high95.6Very high23 Ų2355.8 Ų55.819%0.1930%0.303CS..SBendtrans-68.3152.7175.100000111.2L16 V25 T101L16-A19 VanDerWaalsContact O-CB 3.26Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.41Å; L16-A19 VanDerWaalsContact O-N 3.08Å; A19-V25 HydrophobicContact CB-CB 4.31Å; A19-V25 HydrophobicContact CB-CG1 3.78Å; A19-V25 HydrophobicContact CB-CG2 3.59Å; A19-T101 WeakPolarHBondContact CA-OG1 3.29Å; A19-T101 WeakPolarHBondContact CB-OG1 3.08Å
20E94.1Very high95.6Very high64 Ų6459 Ų5930%0.29931%0.314SS..  trans-65.4147.5172.2-76.2-64.3151.700111.4W22 D23 T101 Q220E20-W22 HydrophobicContact CB-CD2 4.14Å; E20-W22 HydrophobicContact CB-CG 4.35Å; E20-W22 HydrophobicContact CB-CZ2 3.87Å; E20-W22 HydrophobicContact CG-CZ2 4.04Å; E20-W22 PolarHBondContact O-N 3.39Å; E20-W22 VanDerWaalsContact O-N 3.08Å; E20-D23 HydrophobicContact CB-CB 4.44Å; E20-D23 VanDerWaalsContact O-CB 3.28Å; E20-D23 WeakPolarHBondContact O-CB 3.34Å; E20-D23 PolarHBondContact O-N 3.41Å; E20-T101 HydrophobicContact CB-CG2 4.36Å; E20-T101 HydrophobicContact CG-CG2 4.28Å; E20-T101 PolarHBondContact N-OG1 2.97Å; E20-Q220 HydrophobicContact CG-CG 4.28Å; E20-Q220 WeakPolarHBondContact OE1-CG 3.27Å
21S91.9Very high95.4Very high123 Ų12358.4 Ų58.486%0.8631%0.312SS*.THydrogen-bonded Turntrans-62.7-20.7-174.3610000115.1
22W94.1Very high95.2Very high144 Ų14459.6 Ų59.655%0.54533%0.33SS..THydrogen-bonded Turntrans-89.8-8.3178.453.8-100.8000113.3E20 F70 H100 T101E20-W22 HydrophobicContact CB-CD2 4.14Å; E20-W22 HydrophobicContact CB-CG 4.35Å; E20-W22 HydrophobicContact CB-CZ2 3.87Å; E20-W22 HydrophobicContact CG-CZ2 4.04Å; E20-W22 PolarHBondContact O-N 3.39Å; E20-W22 VanDerWaalsContact O-N 3.08Å; W22-F70 AromaticContact CE3-CE2 3.93Å; W22-F70 HydrophobicContact CE3-CE2 3.93Å; W22-F70 AromaticContact CE3-CZ 3.7Å; W22-F70 HydrophobicContact CE3-CZ 3.7Å; W22-F70 AromaticContact CZ3-CE2 3.72Å; W22-F70 HydrophobicContact CZ3-CE2 3.72Å; W22-F70 AromaticContact CZ3-CZ 3.65Å; W22-F70 HydrophobicContact CZ3-CZ 3.65Å; W22-H100 AromaticContact CZ3-CE1 4Å; W22-T101 HydrophobicContact CH2-CG2 3.55Å; W22-T101 HydrophobicContact CZ2-CG2 3.87Å; W22-T101 HydrophobicContact CZ3-CG2 4.38Å
23D96.8Very high95Very high24 Ų2459.4 Ų59.413%0.12833%0.326CS..  trans-82.6162.1-169.7-158.26.4000112.7E20 V25 H100 T101E20-D23 HydrophobicContact CB-CB 4.44Å; E20-D23 VanDerWaalsContact O-CB 3.28Å; E20-D23 WeakPolarHBondContact O-CB 3.34Å; E20-D23 PolarHBondContact O-N 3.41Å; D23-V25 HydrophobicContact CB-CG1 4.21Å; D23-V25 WeakPolarHBondContact OD2-CG1 3.3Å; D23-H100 IonicContact OD1-CE1 2.8Å; D23-H100 IonicContact OD1-CG 3.36Å; D23-H100 IonicContact OD1-ND1 3.85Å; D23-H100 PolarHBondContact OD1-ND1 2.7Å; D23-H100 WeakPolarHBondContact OD2-CB 3.3Å; D23-H100 IonicContact OD2-CE1 3.49Å; D23-H100 IonicContact OD2-CG 3.81Å; D23-H100 IonicContact OD2-ND1 2.76Å; D23-H100 PolarHBondContact OD2-ND1 2.92Å; D23-T101 VanDerWaalsContact OD2-CB 3.3Å; D23-T101 WeakPolarHBondContact OD2-CB 3.49Å; D23-T101 VanDerWaalsContact OD2-CG2 3.29Å; D23-T101 WeakPolarHBondContact OD2-CG2 3.38Å; D23-T101 PolarHBondContact OD2-N 2.89Å; D23-T101 VanDerWaalsContact OD2-N 3.11Å; D23-T101 PolarHBondContact OD2-OG1 3Å
24N96.9Very high94.8Very high61 Ų6160.9 Ų60.933%0.32634%0.341SS..  trans-121.886.3173.6-167.428.2000110.4L28 P67 L69 F70N24-L28 WeakPolarHBondContact ND2-CD2 3.29Å; N24-P67 VanDerWaalsContact O-CB 3.26Å; N24-P67 WeakPolarHBondContact O-CB 3.38Å; N24-L69 PolarHBondContact ND2-O 3.06Å; N24-F70 HydrophobicContact CB-CD2 4.49Å
25V97.8Very high94.7Very high30 Ų3066 Ų6618%0.18236%0.36CS..  trans-106.9168.5-176.5-59.80000111.9L16 A19 D23 S98 P99 H100L16-V25 HydrophobicContact CB-CG2 4.01Å; L16-V25 HydrophobicContact CD2-CB 4.03Å; L16-V25 HydrophobicContact CD2-CG2 3.85Å; L16-V25 HydrophobicContact CG-CG2 4.37Å; A19-V25 HydrophobicContact CB-CB 4.31Å; A19-V25 HydrophobicContact CB-CG1 3.78Å; A19-V25 HydrophobicContact CB-CG2 3.59Å; D23-V25 HydrophobicContact CB-CG1 4.21Å; D23-V25 WeakPolarHBondContact OD2-CG1 3.3Å; V25-S98 CarbonylContact C-O 3.54Å; V25-S98 WeakPolarHBondContact CA-O 3.25Å; V25-S98 WeakPolarHBondContact CB-O 3.27Å; V25-P99 WeakPolarHBondContact CG1-O 3.35Å; V25-H100 HydrophobicContact CG1-CB 4.02Å
26G98.2Very high94.7Very high3 Ų367 Ų673%0.03137%0.367CS..EExtended strand (participates in β ladder)trans95.8-155177.900000113.1L28 F97 S98G26-L28 PolarHBondContact O-N 3.43Å; G26-F97 VanDerWaalsContact CA-CE2 3.49Å; G26-F97 CarbonylContact O-C 3.58Å; G26-F97 VanDerWaalsContact O-CA 3.29Å; G26-F97 WeakPolarHBondContact O-CA 3.41Å; G26-F97 WeakPolarHBondContact O-CD2 3.45Å; G26-S98 PolarHBondContact N-O 2.85Å; G26-S98 PolarHBondContact O-N 2.86Å
27L98.1Very high94.9Very high56 Ų5665.7 Ų65.729%0.29336%0.36SS..EExtended strand (participates in β ladder)trans-74.9111.2177.2-17668.7000109.9L3 L7 V29 E30 A95L3-L27 HydrophobicContact CD2-CD1 4.41Å; L3-L27 HydrophobicContact CD2-CD2 4.3Å; L7-L27 HydrophobicContact CD1-CB 4.25Å; L7-L27 HydrophobicContact CD1-CD1 4.35Å; L7-L27 HydrophobicContact CD1-CD2 3.86Å; L7-L27 HydrophobicContact CD1-CG 4.39Å; L7-L27 HydrophobicContact CD2-CB 4.36Å; L7-L27 HydrophobicContact CD2-CD1 4.26Å; L27-V29 WeakPolarHBondContact CD1-O 3.36Å; L27-E30 HydrophobicContact CD2-CB 3.7Å; L27-E30 HydrophobicContact CD2-CG 3.85Å; L27-E30 HydrophobicContact CG-CB 4.27Å; L27-A95 HydrophobicContact CD1-CB 4.01Å
28L97.8Very high95.1Very high29 Ų2969.9 Ų69.915%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-95.3-32.4-176.8-60.2-178.5000113N24 G26 P67 P68 L69 V96N24-L28 WeakPolarHBondContact ND2-CD2 3.29Å; G26-L28 PolarHBondContact O-N 3.43Å; L28-P67 HydrophobicContact CD1-CB 3.66Å; L28-P68 HydrophobicContact CD1-CG 4.35Å; L28-L69 HydrophobicContact CD1-CB 4.5Å; L28-V96 PolarHBondContact N-O 2.88Å
29V97.5Very high95.3Very high10 Ų1072.1 Ų72.16%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-134.1122.7176.2-179.50000107.8L27 L69 A86 A89 V90 A95 V96L27-V29 WeakPolarHBondContact CD1-O 3.36Å; V29-L69 HydrophobicContact CG2-CD1 3.73Å; V29-A86 HydrophobicContact CG2-CB 4.02Å; V29-A89 HydrophobicContact CG1-CB 4.14Å; V29-V90 HydrophobicContact CG1-CG2 3.56Å; V29-A95 CarbonylContact O-C 3.54Å; V29-A95 VanDerWaalsContact O-CA 3.27Å; V29-A95 WeakPolarHBondContact O-CA 3.12Å; V29-V96 HydrophobicContact CB-CB 3.89Å; V29-V96 HydrophobicContact CB-CG2 3.95Å; V29-V96 HydrophobicContact CG2-CB 4.1Å; V29-V96 HydrophobicContact CG2-CG2 4.15Å; V29-V96 PolarHBondContact N-O 3.27Å; V29-V96 PolarHBondContact O-N 2.98Å
30E96.8Very high95.5Very high133 Ų13374.3 Ų74.362%0.62139%0.392SS*.  trans-115.5120.1173.5-169.1170.6-164.800109.2L3 L27L3-E30 HydrophobicContact CD2-CG 4.01Å; L27-E30 HydrophobicContact CD2-CB 3.7Å; L27-E30 HydrophobicContact CD2-CG 3.85Å; L27-E30 HydrophobicContact CG-CB 4.27Å
31P93.8Very high95.7Very high19 Ų1972 Ų7212%0.12338%0.382CS..  trans-70.6145.8177.128-32.6000111.1K33P31-K33 VanDerWaalsContact C-N 3.28Å; P31-K33 PolarHBondContact O-N 3.46Å
32S91.4Very high96Very high109 Ų10972.5 Ų72.576%0.76237%0.374SS*.SBendtrans-68.9-21.7-17259.90000115.1
33K90.8Very high96.2Very high144 Ų14467.1 Ų67.163%0.62636%0.357SS*.SBendtrans-104.7119.1178.2-68.3-174.8-179.61800108.8P31 R35P31-K33 VanDerWaalsContact C-N 3.28Å; P31-K33 PolarHBondContact O-N 3.46Å; K33-R35 PolarHBondContact O-N 2.93Å
34P89.1Confident96.2Very high120 Ų12069.8 Ų69.878%0.77937%0.371SS*.  trans-56.8134.9173.3-22.832.8000110.7
35R91.6Very high96.3Very high109 Ų10970.3 Ų70.341%0.41137%0.374SS..  trans-141142175.9-66.4-177.4-174.91746.3109.3K33 I37 A92K33-R35 PolarHBondContact O-N 2.93Å; R35-I37 PolarHBondContact O-N 3.05Å; R35-A92 PolarHBondContact NH1-O 3.01Å
36P96Very high96.3Very high64 Ų6469.2 Ų69.242%0.41637%0.368SS..  trans-62.8131.9170.6-21.432.6000110.5K38P36-K38 PolarHBondContact O-N 3.38Å
37I98.1Very high96.3Very high16 Ų1671.9 Ų71.98%0.08238%0.383CS..  trans-77.9119.7172.9-51.3-54.6000108.7M1 L3 V6 R35 V40 D60 L61M1-I37 PolarHBondContact N-O 3.47Å; M1-I37 PolarHBondContact O-N 3.43Å; L3-I37 HydrophobicContact CB-CD1 4.31Å; L3-I37 HydrophobicContact CB-CG1 4.24Å; L3-I37 HydrophobicContact CD1-CD1 4.14Å; L3-I37 HydrophobicContact CD1-CG1 4.28Å; V6-I37 HydrophobicContact CG2-CB 3.88Å; V6-I37 HydrophobicContact CG2-CG1 4.02Å; V6-I37 HydrophobicContact CG2-CG2 4.15Å; R35-I37 PolarHBondContact O-N 3.05Å; I37-V40 HydrophobicContact CG2-CG2 3.75Å; I37-D60 HydrophobicContact CB-CB 4.44Å; I37-D60 HydrophobicContact CD1-CB 3.7Å; I37-D60 HydrophobicContact CG2-CB 4.22Å; I37-L61 HydrophobicContact CD1-CB 4.33Å; I37-L61 HydrophobicContact CG2-CB 4.04Å
38K97.6Very high96.2Very high174 Ų17472.3 Ų72.376%0.75739%0.386SS*.  trans-119.1-34.2177-60.7178.4-177.5176.70111.7P36 D60P36-K38 PolarHBondContact O-N 3.38Å; K38-D60 WeakPolarHBondContact CA-OD2 3.4Å; K38-D60 WeakPolarHBondContact CB-OD2 3.5Å; K38-D60 PolarHBondContact N-OD2 3.41Å
39T98Very high96.3Very high60 Ų6074.3 Ų74.337%0.36841%0.407SS..  trans-127.5124-177.4-57.60000110.6C59 D60 L61T39-C59 HydrophobicContact CG2-CB 4.32Å; T39-D60 PolarHBondContact N-OD2 3.42Å; T39-D60 PolarHBondContact O-N 3.3Å; T39-L61 PolarHBondContact O-N 3.03Å
40V98.4Very high96.3Very high68 Ų6875 Ų7541%0.41241%0.411SS..EExtended strand (participates in β ladder)trans-115.4127.7177.3-174.40000109.2I37 L42 L61 V63I37-V40 HydrophobicContact CG2-CG2 3.75Å; V40-L42 HydrophobicContact CG1-CD2 4.03Å; V40-L61 CarbonylContact C-O 3.6Å; V40-L61 VanDerWaalsContact CA-O 3.28Å; V40-L61 WeakPolarHBondContact CA-O 3.5Å; V40-L61 HydrophobicContact CG1-CB 4.39Å; V40-L61 HydrophobicContact CG1-CD2 4.13Å; V40-L61 HydrophobicContact CG1-CG 4.14Å; V40-L61 HydrophobicContact CG2-CB 4.25Å; V40-L61 HydrophobicContact CG2-CD2 4.18Å; V40-V63 HydrophobicContact CG1-CG2 3.81Å
41L98.7Very high96.4Very high16 Ų1668.7 Ų68.78%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-99.7130.4170.8-177.8145.7000109.8T43 V50 E53 A54 L57 C59 L61 I62 V63L41-T43 HydrophobicContact CD2-CG2 4.19Å; L41-V50 HydrophobicContact CD2-CG1 3.73Å; L41-E53 HydrophobicContact CD1-CG 4.14Å; L41-A54 HydrophobicContact CD1-CB 4.06Å; L41-L57 HydrophobicContact CD1-CD1 4.32Å; L41-C59 HydrophobicContact CB-CB 4.44Å; L41-L61 PolarHBondContact N-O 3.25Å; L41-I62 HydrophobicContact CD2-CG2 4.09Å; L41-I62 CarbonylContact O-C 3.53Å; L41-I62 WeakPolarHBondContact O-CA 3.27Å; L41-V63 PolarHBondContact O-N 2.9Å
42L98.4Very high96.6Very high134 Ų13474.2 Ų74.270%0.70240%0.403SS*.EExtended strand (participates in β ladder)trans-102.6133.7174.4-53-176.9000109.4V40 V63V40-L42 HydrophobicContact CG1-CD2 4.03Å; L42-V63 WeakPolarHBondContact CA-O 3.32Å; L42-V63 HydrophobicContact CD2-CB 3.63Å; L42-V63 HydrophobicContact CD2-CG1 4.19Å; L42-V63 HydrophobicContact CD2-CG2 4.01Å
43T98.5Very high96.9Very high30 Ų3074 Ų7418%0.18439%0.39CS..EExtended strand (participates in β ladder)trans-145.8155.8175.8-174.80000111.6L41 D45 L46 V50 I62 V63 S64 Y65L41-T43 HydrophobicContact CD2-CG2 4.19Å; T43-D45 PolarHBondContact OG1-N 2.97Å; T43-D45 PolarHBondContact OG1-O 3.39Å; T43-L46 HydrophobicContact CG2-CB 4.45Å; T43-V50 HydrophobicContact CG2-CG1 4.05Å; T43-I62 HydrophobicContact CG2-CG2 4.16Å; T43-V63 PolarHBondContact N-O 3.09Å; T43-S64 CarbonylContact O-C 3.34Å; T43-S64 WeakPolarHBondContact O-CA 3.48Å; T43-Y65 PolarHBondContact O-N 3Å
44N97.7Very high97.3Very high80 Ų8067.1 Ų67.143%0.42836%0.36SS..SBendtrans-73.8-49166.9-166.766.9000111.1Y65 H66N44-Y65 PolarHBondContact O-N 3.1Å; N44-Y65 VanDerWaalsContact OD1-CD1 3.24Å; N44-Y65 WeakPolarHBondContact OD1-CD1 3.36Å; N44-H66 PolarHBondContact ND2-CE1 2.86Å; N44-H66 PolarHBondContact ND2-ND1 3.26Å; N44-H66 PolarHBondContact O-N 3.34Å
45D97.9Very high97.7Very high73 Ų7364.7 Ų64.739%0.3934%0.339SS..SBendtrans-129.1125.6-177.6-68.1-75.5000110.2T43 T47 H66T43-D45 PolarHBondContact OG1-N 2.97Å; T43-D45 PolarHBondContact OG1-O 3.39Å; D45-T47 HydrophobicContact CB-CG2 4.14Å; D45-T47 PolarHBondContact O-N 3.26Å; D45-H66 IonicContact OD1-CE1 3.78Å; D45-H66 IonicContact OD1-CG 3.26Å; D45-H66 IonicContact OD1-ND1 3.06Å; D45-H66 PolarHBondContact OD1-ND1 3.18Å; D45-H66 IonicContact OD2-ND1 3.89Å; D45-H66 PolarHBondContact OD2-ND1 3.32Å
46L98Very high98.1Very high7 Ų764.9 Ų64.94%0.03735%0.352CS..  trans-7887.5170.1-175.456.5000110.2T43 V50 M51 I62 S64 P68 L85 V96T43-L46 HydrophobicContact CG2-CB 4.45Å; L46-V50 HydrophobicContact CD1-CB 4.31Å; L46-V50 HydrophobicContact CD1-CG1 3.94Å; L46-M51 HydrophobicContact CD1-CB 4.11Å; L46-M51 HydrophobicContact CD1-SD 4.23Å; L46-M51 HydrophobicContact CD2-SD 4.49Å; L46-I62 HydrophobicContact CD1-CD1 3.98Å; L46-I62 HydrophobicContact CD1-CG2 4.16Å; L46-I62 HydrophobicContact CD2-CD1 4.3Å; L46-I62 HydrophobicContact CD2-CG2 4.42Å; L46-S64 PolarHBondContact N-OG 3.07Å; L46-P68 HydrophobicContact CB-CB 4.31Å; L46-P68 HydrophobicContact CB-CG 4.35Å; L46-P68 HydrophobicContact CD2-CB 4.46Å; L46-P68 HydrophobicContact CD2-CG 4.11Å; L46-L85 HydrophobicContact CG-CD1 4.28Å; L46-L85 WeakPolarHBondContact O-CD1 3.43Å; L46-V96 HydrophobicContact CD2-CG1 4.25Å; L46-V96 HydrophobicContact CD2-CG2 4.29Å
47T97.9Very high98.1Very high59 Ų5966.4 Ų66.436%0.36236%0.356SS..  trans-88.6168.7173.367.70000111.5D45 A49 V50 M51D45-T47 HydrophobicContact CB-CG2 4.14Å; D45-T47 PolarHBondContact O-N 3.26Å; T47-A49 PolarHBondContact O-N 3.32Å; T47-V50 PolarHBondContact O-N 3.31Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.33Å; T47-V50 PolarHBondContact OG1-N 3.34Å; T47-M51 WeakPolarHBondContact O-CB 3.36Å; T47-M51 PolarHBondContact O-N 2.66Å
48D97.1Very high98Very high65 Ų6569.8 Ų69.835%0.34838%0.381SS..Hα-helixtrans-57.2-34.1175-87.3-48000113K52 R84 R88D48-K52 PolarHBondContact O-N 2.94Å; D48-K52 VanDerWaalsContact O-N 3.09Å; D48-R84 IonicContact OD2-NH2 3.98Å; D48-R88 IonicContact OD1-NH1 2.87Å; D48-R88 PolarHBondContact OD1-NH1 3.32Å; D48-R88 VanDerWaalsContact OD1-NH1 3.17Å
49A98.3Very high98Very high71 Ų7161.8 Ų61.859%0.58735%0.346SS*.Hα-helixtrans-70.1-44.4177.300000111.9T47 M51 K52 E53T47-A49 PolarHBondContact O-N 3.32Å; A49-M51 VanDerWaalsContact C-N 3.34Å; A49-K52 WeakPolarHBondContact O-CB 3.08Å; A49-K52 PolarHBondContact O-N 3.46Å; A49-E53 PolarHBondContact O-N 2.99Å
50V98.4Very high98.1Very high24 Ų2460.1 Ų60.115%0.14534%0.335CS..Hα-helixtrans-66.2-37.8176.5175.20000111L41 T43 L46 T47 K52 E53 A54L41-V50 HydrophobicContact CD2-CG1 3.73Å; T43-V50 HydrophobicContact CG2-CG1 4.05Å; L46-V50 HydrophobicContact CD1-CB 4.31Å; L46-V50 HydrophobicContact CD1-CG1 3.94Å; T47-V50 PolarHBondContact O-N 3.31Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.33Å; T47-V50 PolarHBondContact OG1-N 3.34Å; V50-K52 VanDerWaalsContact C-N 3.31Å; V50-K52 PolarHBondContact O-N 3.28Å; V50-E53 WeakPolarHBondContact O-CB 3.01Å; V50-E53 PolarHBondContact O-N 3.24Å; V50-A54 PolarHBondContact O-N 3.48Å
51M98.3Very high98.1Very high0 Ų056.9 Ų56.90%032%0.316CS..Hα-helixtrans-62.4-41174-17367.2-150.400111.7L46 T47 A49 E53 A54 E55 I62 L85 R88 A89 M94L46-M51 HydrophobicContact CD1-CB 4.11Å; L46-M51 HydrophobicContact CD1-SD 4.23Å; L46-M51 HydrophobicContact CD2-SD 4.49Å; T47-M51 WeakPolarHBondContact O-CB 3.36Å; T47-M51 PolarHBondContact O-N 2.66Å; A49-M51 VanDerWaalsContact C-N 3.34Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.08Å; M51-A54 PolarHBondContact O-N 3.41Å; M51-E55 HydrophobicContact CE-CG 4.06Å; M51-E55 WeakPolarHBondContact O-CG 3.2Å; M51-E55 PolarHBondContact O-N 3.07Å; M51-I62 HydrophobicContact SD-CD1 3.92Å; M51-L85 HydrophobicContact CB-CD2 3.48Å; M51-L85 VanDerWaalsContact CB-CD2 3.48Å; M51-L85 HydrophobicContact CG-CD2 3.71Å; M51-L85 HydrophobicContact SD-CD2 4.46Å; M51-R88 HydrophobicContact CE-CB 3.95Å; M51-R88 HydrophobicContact CG-CB 4.44Å; M51-R88 VanDerWaalsContact CG-CZ 3.47Å; M51-A89 HydrophobicContact CE-CB 4.18Å; M51-M94 HydrophobicContact CE-SD 3.69Å
52K98.3Very high98.1Very high136 Ų13656.1 Ų56.159%0.59131%0.312SS*.Hα-helixtrans-63.9-39.4175.2-173.9178.3-179.6-178.90111.7D48 A49 V50 E55 V56D48-K52 PolarHBondContact O-N 2.94Å; D48-K52 VanDerWaalsContact O-N 3.09Å; A49-K52 WeakPolarHBondContact O-CB 3.08Å; A49-K52 PolarHBondContact O-N 3.46Å; V50-K52 VanDerWaalsContact C-N 3.31Å; V50-K52 PolarHBondContact O-N 3.28Å; K52-E55 PolarHBondContact O-N 2.79Å; K52-V56 WeakPolarHBondContact O-CG2 3.39Å; K52-V56 PolarHBondContact O-N 2.95Å
53E98.6Very high98.1Very high104 Ų10450.5 Ų50.549%0.48628%0.283SS..Hα-helixtrans-60.7-46.7172.6177179.3-152.300111.5L41 A49 V50 M51 E55 V56 L57L41-E53 HydrophobicContact CD1-CG 4.14Å; A49-E53 PolarHBondContact O-N 2.99Å; V50-E53 WeakPolarHBondContact O-CB 3.01Å; V50-E53 PolarHBondContact O-N 3.24Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.08Å; E53-E55 VanDerWaalsContact C-N 3.31Å; E53-E55 PolarHBondContact O-N 3.06Å; E53-V56 PolarHBondContact O-N 3.47Å; E53-L57 HydrophobicContact CG-CD1 3.86Å; E53-L57 HydrophobicContact CG-CG 4.42Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 WeakPolarHBondContact O-CG 3.24Å; E53-L57 PolarHBondContact O-N 3.25Å
54A98.4Very high98.1Very high0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-58.8-40.2177.100000112.6L41 V50 M51 S58 C59 I62 M94L41-A54 HydrophobicContact CD1-CB 4.06Å; V50-A54 PolarHBondContact O-N 3.48Å; M51-A54 PolarHBondContact O-N 3.41Å; A54-S58 PolarHBondContact O-N 2.77Å; A54-C59 HydrophobicContact CB-CB 4.39Å; A54-C59 PolarHBondContact O-N 3.4Å; A54-I62 HydrophobicContact CB-CD1 3.69Å; A54-I62 HydrophobicContact CB-CG1 4.11Å; A54-M94 HydrophobicContact CB-CE 4.41Å; A54-M94 HydrophobicContact CB-SD 4.19Å; A54-M94 VanDerWaalsContact O-CE 3.25Å; A54-M94 WeakPolarHBondContact O-CE 3.33Å
55E98.3Very high98.1Very high69 Ų6947.3 Ų47.332%0.32226%0.262SS..Hα-helixtrans-63.6-46.4173.8-72.5166.6177.800112.4M51 K52 E53 L57 S58 R88 M94M51-E55 HydrophobicContact CE-CG 4.06Å; M51-E55 WeakPolarHBondContact O-CG 3.2Å; M51-E55 PolarHBondContact O-N 3.07Å; K52-E55 PolarHBondContact O-N 2.79Å; E53-E55 VanDerWaalsContact C-N 3.31Å; E53-E55 PolarHBondContact O-N 3.06Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.36Å; E55-S58 PolarHBondContact O-N 2.76Å; E55-S58 VanDerWaalsContact O-N 3.08Å; E55-R88 IonicContact OE1-CZ 3.4Å; E55-R88 VanDerWaalsContact OE1-CZ 3.27Å; E55-R88 IonicContact OE1-NE 3.82Å; E55-R88 PolarHBondContact OE1-NE 3.45Å; E55-R88 IonicContact OE1-NH2 3.75Å; E55-R88 PolarHBondContact OE1-NH2 2.96Å; E55-R88 IonicContact OE2-CZ 3.79Å; E55-R88 IonicContact OE2-NE 3.56Å; E55-R88 IonicContact OE2-NH2 3.69Å; E55-R88 PolarHBondContact OE2-NH2 3.37Å; E55-M94 HydrophobicContact CG-CE 4.32Å
56V98.3Very high98.1Very high113 Ų11346.9 Ų46.969%0.68526%0.258SS*.Hα-helixtrans-62.2-40.7177.8168.70000111.2K52 E53 S58K52-V56 WeakPolarHBondContact O-CG2 3.39Å; K52-V56 PolarHBondContact O-N 2.95Å; E53-V56 PolarHBondContact O-N 3.47Å; V56-S58 PolarHBondContact O-N 3.14Å
57L97.5Very high98.1Very high96 Ų9647 Ų4750%0.50326%0.259SS..THydrogen-bonded Turntrans-78.2-5.1177.7-65.6176.5000113.3L41 E53 E55 C59L41-L57 HydrophobicContact CD1-CD1 4.32Å; E53-L57 HydrophobicContact CG-CD1 3.86Å; E53-L57 HydrophobicContact CG-CG 4.42Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 WeakPolarHBondContact O-CG 3.24Å; E53-L57 PolarHBondContact O-N 3.25Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.36Å; L57-C59 PolarHBondContact O-N 3.32Å
58S96.1Very high98Very high87 Ų8744.8 Ų44.861%0.60825%0.245SC*.THydrogen-bonded Turntrans5046.2-175.8-590000112.2A54 E55 V56A54-S58 PolarHBondContact O-N 2.77Å; E55-S58 PolarHBondContact O-N 2.76Å; E55-S58 VanDerWaalsContact O-N 3.08Å; V56-S58 PolarHBondContact O-N 3.14Å
59C97.6Very high97.9Very high5 Ų542.9 Ų42.93%0.03424%0.235CC..  trans-62.2154.3178.3-59.90000111.5T39 L41 A54 L57 M94T39-C59 HydrophobicContact CG2-CB 4.32Å; L41-C59 HydrophobicContact CB-CB 4.44Å; A54-C59 HydrophobicContact CB-CB 4.39Å; A54-C59 PolarHBondContact O-N 3.4Å; L57-C59 PolarHBondContact O-N 3.32Å; C59-M94 HydrophobicContact CB-CE 4.45Å; C59-M94 WeakPolarHBondContact O-CE 3.42Å; C59-M94 WeakPolarHBondContact O-CG 3.4Å
60D98.3Very high97.7Very high25 Ų2543 Ų4313%0.13422%0.222CC..SBendtrans-102.4-27.3174.7-52.7-68.6000111.6I37 K38 T39 M94 A95I37-D60 HydrophobicContact CB-CB 4.44Å; I37-D60 HydrophobicContact CD1-CB 3.7Å; I37-D60 HydrophobicContact CG2-CB 4.22Å; K38-D60 WeakPolarHBondContact CA-OD2 3.4Å; K38-D60 WeakPolarHBondContact CB-OD2 3.5Å; K38-D60 PolarHBondContact N-OD2 3.41Å; T39-D60 PolarHBondContact N-OD2 3.42Å; T39-D60 PolarHBondContact O-N 3.3Å; D60-M94 WeakPolarHBondContact O-CA 3.4Å; D60-A95 PolarHBondContact O-N 2.85Å
61L98.6Very high97.4Very high0 Ų051.2 Ų51.20%025%0.251CS..EExtended strand (participates in β ladder)trans-139.9135.8179.6172.665.2000110.6V6 L10 I37 T39 V40 L41 V63 A95 F97V6-L61 HydrophobicContact CG1-CD2 3.65Å; L10-L61 HydrophobicContact CD1-CD2 4.08Å; I37-L61 HydrophobicContact CD1-CB 4.33Å; I37-L61 HydrophobicContact CG2-CB 4.04Å; T39-L61 PolarHBondContact O-N 3.03Å; V40-L61 CarbonylContact C-O 3.6Å; V40-L61 VanDerWaalsContact CA-O 3.28Å; V40-L61 WeakPolarHBondContact CA-O 3.5Å; V40-L61 HydrophobicContact CG1-CB 4.39Å; V40-L61 HydrophobicContact CG1-CD2 4.13Å; V40-L61 HydrophobicContact CG1-CG 4.14Å; V40-L61 HydrophobicContact CG2-CB 4.25Å; V40-L61 HydrophobicContact CG2-CD2 4.18Å; L41-L61 PolarHBondContact N-O 3.25Å; L61-V63 HydrophobicContact CD2-CG2 4.17Å; L61-V63 HydrophobicContact CG-CG2 4.22Å; L61-A95 WeakPolarHBondContact CA-O 3.35Å; L61-A95 HydrophobicContact CD1-CB 3.61Å; L61-F97 HydrophobicContact CD1-CB 4.03Å
62I98.8Very high97.1Very high0 Ų057.5 Ų57.50%029%0.292CS..EExtended strand (participates in β ladder)trans-108.7124.2168.2-59.1171.2000107.9L41 T43 L46 M51 A54 M94 A95 V96 F97L41-I62 HydrophobicContact CD2-CG2 4.09Å; L41-I62 CarbonylContact O-C 3.53Å; L41-I62 WeakPolarHBondContact O-CA 3.27Å; T43-I62 HydrophobicContact CG2-CG2 4.16Å; L46-I62 HydrophobicContact CD1-CD1 3.98Å; L46-I62 HydrophobicContact CD1-CG2 4.16Å; L46-I62 HydrophobicContact CD2-CD1 4.3Å; L46-I62 HydrophobicContact CD2-CG2 4.42Å; M51-I62 HydrophobicContact SD-CD1 3.92Å; A54-I62 HydrophobicContact CB-CD1 3.69Å; A54-I62 HydrophobicContact CB-CG1 4.11Å; I62-M94 HydrophobicContact CD1-SD 4.22Å; I62-A95 PolarHBondContact N-O 3.35Å; I62-V96 HydrophobicContact CB-CG2 4.45Å; I62-V96 CarbonylContact O-C 3.56Å; I62-V96 WeakPolarHBondContact O-CA 3.42Å; I62-F97 PolarHBondContact O-N 2.9Å
63V98.7Very high96.7Very high16 Ų1654.1 Ų54.110%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-101.6105.1167.7178.90000107.5L10 V40 L41 L42 T43 L61 F97L10-V63 HydrophobicContact CD1-CG2 4.12Å; L10-V63 HydrophobicContact CD2-CG2 4.48Å; V40-V63 HydrophobicContact CG1-CG2 3.81Å; L41-V63 PolarHBondContact O-N 2.9Å; L42-V63 WeakPolarHBondContact CA-O 3.32Å; L42-V63 HydrophobicContact CD2-CB 3.63Å; L42-V63 HydrophobicContact CD2-CG1 4.19Å; L42-V63 HydrophobicContact CD2-CG2 4.01Å; T43-V63 PolarHBondContact N-O 3.09Å; L61-V63 HydrophobicContact CD2-CG2 4.17Å; L61-V63 HydrophobicContact CG-CG2 4.22Å; V63-F97 WeakPolarHBondContact CA-O 3.42Å; V63-F97 HydrophobicContact CG1-CD1 4.2Å; V63-F97 HydrophobicContact CG2-CD1 4.47Å
64S98.5Very high96.5Very high0 Ų059.1 Ų59.10%030%0.299CS..EExtended strand (participates in β ladder)trans-102.1123178-174.90000108.9T43 L46 H66 F97 S98T43-S64 CarbonylContact O-C 3.34Å; T43-S64 WeakPolarHBondContact O-CA 3.48Å; L46-S64 PolarHBondContact N-OG 3.07Å; S64-H66 WeakPolarHBondContact CB-O 3.38Å; S64-H66 PolarHBondContact OG-O 3.26Å; S64-F97 PolarHBondContact N-O 3.49Å; S64-S98 VanDerWaalsContact O-CA 3.23Å; S64-S98 WeakPolarHBondContact O-CA 3.4Å; S64-S98 WeakPolarHBondContact O-CB 3.39Å; S64-S98 PolarHBondContact O-OG 3.42Å; S64-S98 VanDerWaalsContact O-OG 3.08Å
65Y98.3Very high96.4Very high43 Ų4368.9 Ų68.917%0.16934%0.336CS..SBendtrans-60.3-48.7179172.2-96.7000111.3T43 N44 S98 H100 D104 V110T43-Y65 PolarHBondContact O-N 3Å; N44-Y65 PolarHBondContact O-N 3.1Å; N44-Y65 VanDerWaalsContact OD1-CD1 3.24Å; N44-Y65 WeakPolarHBondContact OD1-CD1 3.36Å; Y65-S98 PolarHBondContact O-OG 2.96Å; Y65-H100 WeakPolarHBondContact O-CA 3.38Å; Y65-H100 VanDerWaalsContact O-CB 3.23Å; Y65-H100 WeakPolarHBondContact O-CB 3.43Å; Y65-H100 PolarHBondContact O-N 3.42Å; Y65-D104 PolarHBondContact OH-OD1 3.27Å; Y65-D104 PolarHBondContact OH-OD2 3.08Å; Y65-V110 HydrophobicContact CE2-CG2 4.19Å
66H98Very high96.2Very high65 Ų6570.6 Ų70.630%0.30135%0.347SS..SBendtrans-83.9134.3170.4-63.3142.8000110.7N44 D45 S64 P68 H100N44-H66 PolarHBondContact ND2-CE1 2.86Å; N44-H66 PolarHBondContact ND2-ND1 3.26Å; N44-H66 PolarHBondContact O-N 3.34Å; D45-H66 IonicContact OD1-CE1 3.78Å; D45-H66 IonicContact OD1-CG 3.26Å; D45-H66 IonicContact OD1-ND1 3.06Å; D45-H66 PolarHBondContact OD1-ND1 3.18Å; D45-H66 IonicContact OD2-ND1 3.89Å; D45-H66 PolarHBondContact OD2-ND1 3.32Å; S64-H66 WeakPolarHBondContact CB-O 3.38Å; S64-H66 PolarHBondContact OG-O 3.26Å; H66-P68 WeakPolarHBondContact O-CD 3.45Å; H66-H100 AromaticContact CD2-CD2 3.74Å; H66-H100 AromaticContact CD2-NE2 3.73Å
67P97.8Very high96Very high9 Ų967.3 Ų67.36%0.05833%0.332CS..  trans-72.2114.1-179.826.2-32.6000110.6N24 L28 L69 F70 S98N24-P67 VanDerWaalsContact O-CB 3.26Å; N24-P67 WeakPolarHBondContact O-CB 3.38Å; L28-P67 HydrophobicContact CD1-CB 3.66Å; P67-L69 PolarHBondContact O-N 3.42Å; P67-F70 HydrophobicContact CG-CB 4.14Å; P67-F70 HydrophobicContact CG-CD2 3.54Å; P67-F70 HydrophobicContact CG-CE2 4.41Å; P67-F70 HydrophobicContact CG-CG 4.27Å; P67-F70 PolarHBondContact O-N 2.95Å; P67-S98 WeakPolarHBondContact CA-OG 3.49Å; P67-S98 WeakPolarHBondContact CB-OG 3.25Å
68P95.8Very high95.8Very high12 Ų1267.3 Ų67.38%0.07833%0.329CS..THydrogen-bonded Turntrans-61-34.5176.723.4-33.5000111L28 L46 H66 F70 K82 V96L28-P68 HydrophobicContact CD1-CG 4.35Å; L46-P68 HydrophobicContact CB-CB 4.31Å; L46-P68 HydrophobicContact CB-CG 4.35Å; L46-P68 HydrophobicContact CD2-CB 4.46Å; L46-P68 HydrophobicContact CD2-CG 4.11Å; H66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-F70 PolarHBondContact O-N 3.29Å; P68-K82 VanDerWaalsContact O-CD 3.25Å; P68-K82 WeakPolarHBondContact O-CD 3.46Å; P68-V96 HydrophobicContact CG-CG1 3.92Å
69L95.3Very high95.6Very high26 Ų2672.5 Ų72.514%0.13634%0.341CS..THydrogen-bonded Turntrans-95.650.4177.4-55.3-166000112.6N24 L28 V29 P67 R71 I73 A86N24-L69 PolarHBondContact ND2-O 3.06Å; L28-L69 HydrophobicContact CD1-CB 4.5Å; V29-L69 HydrophobicContact CG2-CD1 3.73Å; P67-L69 PolarHBondContact O-N 3.42Å; L69-R71 PolarHBondContact O-N 3.44Å; L69-I73 HydrophobicContact CD2-CD1 3.61Å; L69-I73 HydrophobicContact CG-CD1 4.46Å; L69-A86 HydrophobicContact CD1-CB 4.09Å; L69-A86 HydrophobicContact CD2-CB 4.12Å
70F94.3Very high95.5Very high72 Ų7275.1 Ų75.132%0.31635%0.354SS..  trans-63.4-30.9-173.9-174.3-119.9000115.9W22 N24 P67 P68W22-F70 AromaticContact CE3-CE2 3.93Å; W22-F70 HydrophobicContact CE3-CE2 3.93Å; W22-F70 AromaticContact CE3-CZ 3.7Å; W22-F70 HydrophobicContact CE3-CZ 3.7Å; W22-F70 AromaticContact CZ3-CE2 3.72Å; W22-F70 HydrophobicContact CZ3-CE2 3.72Å; W22-F70 AromaticContact CZ3-CZ 3.65Å; W22-F70 HydrophobicContact CZ3-CZ 3.65Å; N24-F70 HydrophobicContact CB-CD2 4.49Å; P67-F70 HydrophobicContact CG-CB 4.14Å; P67-F70 HydrophobicContact CG-CD2 3.54Å; P67-F70 HydrophobicContact CG-CE2 4.41Å; P67-F70 HydrophobicContact CG-CG 4.27Å; P67-F70 PolarHBondContact O-N 2.95Å; P68-F70 PolarHBondContact O-N 3.29Å
71R92.6Very high95.2Very high198 Ų19879.1 Ų79.175%0.74737%0.368SS*.SBendtrans-113.7148.8-179.8-67.9-175.3-177.9173.30.9110.6L69 I73L69-R71 PolarHBondContact O-N 3.44Å; R71-I73 PolarHBondContact O-N 3.38Å
72P91.3Very high95Very high132 Ų13282.3 Ų82.386%0.85738%0.382SS*.  trans-54.4130.4174.5-26.734.6000112.3
73I90.8Very high94.8Very high65 Ų6584 Ų8433%0.33339%0.389SS..  trans-100.4121.9-179.9-67171.6000108.9L69 R71 R75 Q83L69-I73 HydrophobicContact CD2-CD1 3.61Å; L69-I73 HydrophobicContact CG-CD1 4.46Å; R71-I73 PolarHBondContact O-N 3.38Å; I73-R75 WeakPolarHBondContact CG2-O 3.46Å; I73-Q83 HydrophobicContact CD1-CG 3.99Å; I73-Q83 HydrophobicContact CG2-CG 3.95Å
74K94.4Very high94.7Very high209 Ų20986.5 Ų86.591%0.90940%0.397SS*.SBendtrans-85-18.2179-63.5-173.6178.9-176.50114
75R94.5Very high94.6Very high205 Ų20586.6 Ų86.677%0.77440%0.398SS*.  trans-149.2137.1-178.2-61.8-178.1-1751700.6108.8I73 Q83I73-R75 WeakPolarHBondContact CG2-O 3.46Å; R75-Q83 PolarHBondContact O-NE2 3.26Å; R75-Q83 PolarHBondContact O-OE1 2.88Å
76L94.3Very high94.5Very high105 Ų10585 Ų8555%0.5539%0.393SS..  trans-102.697.8175.9-170.365.7000109.1Q83 A86 I87L76-Q83 HydrophobicContact CD1-CB 4.15Å; L76-Q83 HydrophobicContact CD1-CG 4.42Å; L76-A86 HydrophobicContact CD1-CB 4.18Å; L76-I87 HydrophobicContact CD1-CD1 4.36Å; L76-I87 HydrophobicContact CD1-CG1 3.86Å; L76-I87 HydrophobicContact CD2-CG1 3.88Å; L76-I87 HydrophobicContact CG-CD1 3.99Å; L76-I87 HydrophobicContact CG-CG1 3.57Å
77A94.9Very high94.5Very high44 Ų4483 Ų8336%0.36438%0.384SS..  trans-136.4152.6-175.400000112K79 Q83A77-K79 PolarHBondContact O-N 2.82Å; A77-K79 VanDerWaalsContact O-N 3.1Å; A77-Q83 WeakPolarHBondContact O-CB 3.42Å; A77-Q83 PolarHBondContact O-OE1 2.79Å; A77-Q83 VanDerWaalsContact O-OE1 3.08Å
78Q94.1Very high94.4Very high95 Ų9584.8 Ų84.844%0.44439%0.39SS..THydrogen-bonded Turntrans-72.2-4.9-173.7-68.4-84.2-11.700114.7R84 I87Q78-R84 HydrophobicContact CB-CG 4.16Å; Q78-R84 WeakPolarHBondContact O-CD 3.38Å; Q78-R84 WeakPolarHBondContact O-CG 3.47Å; Q78-R84 PolarHBondContact O-NH1 3.29Å; Q78-R84 VanDerWaalsContact OE1-CD 3.3Å; Q78-I87 HydrophobicContact CG-CD1 3.98Å; Q78-I87 VanDerWaalsContact NE2-CG2 3.27Å
79K91.3Very high94.5Very high197 Ų19784.2 Ų84.286%0.85739%0.386SS*.THydrogen-bonded Turntrans-70.8-41.8-177.5-173.4177.9179179.50112.3A77 R84A77-K79 PolarHBondContact O-N 2.82Å; A77-K79 VanDerWaalsContact O-N 3.1Å; K79-R84 PolarHBondContact O-NH1 3.4Å; K79-R84 VanDerWaalsContact O-NH1 3.11Å
80D94.3Very high94.6Very high60 Ų6086 Ų8632%0.32140%0.398SS..SBendtrans-88136.2178.5176.6-99.6000110.7K82 Q83 R84D80-K82 PolarHBondContact O-N 2.96Å; D80-K82 WeakPolarHBondContact OD1-CB 3.24Å; D80-K82 PolarHBondContact OD1-N 3.42Å; D80-Q83 HydrophobicContact CB-CB 4.16Å; D80-Q83 HydrophobicContact CB-CG 4.06Å; D80-Q83 PolarHBondContact O-N 2.99Å; D80-Q83 PolarHBondContact OD1-N 3.42Å; D80-Q83 VanDerWaalsContact OD1-N 3.1Å; D80-R84 WeakPolarHBondContact O-CG 3.33Å; D80-R84 PolarHBondContact O-N 3.22Å
81W92.8Very high94.6Very high108 Ų10889.2 Ų89.241%0.40941%0.414SS..Hα-helixtrans-68.5-34.3-17371.6-86.9000113.2R84 L85W81-R84 WeakPolarHBondContact O-CB 3.32Å; W81-R84 PolarHBondContact O-N 2.82Å; W81-L85 HydrophobicContact CE3-CD1 3.58Å; W81-L85 HydrophobicContact CE3-CG 4.43Å; W81-L85 HydrophobicContact CZ3-CD1 3.53Å; W81-L85 WeakPolarHBondContact O-CG 3.27Å; W81-L85 PolarHBondContact O-N 3.46Å; W81-L85 VanDerWaalsContact O-N 3.1Å
82K93.6Very high94.8Very high68 Ų6881.5 Ų81.530%0.29639%0.392SS..Hα-helixtrans-69.9-39.5177.5-63.7176.1162.9-150.60111.1P68 D80 L85 A86P68-K82 VanDerWaalsContact O-CD 3.25Å; P68-K82 WeakPolarHBondContact O-CD 3.46Å; D80-K82 PolarHBondContact O-N 2.96Å; D80-K82 WeakPolarHBondContact OD1-CB 3.24Å; D80-K82 PolarHBondContact OD1-N 3.42Å; K82-L85 PolarHBondContact O-N 3.38Å; K82-A86 PolarHBondContact O-N 2.89Å
83Q95.7Very high95.1Very high35 Ų3575.4 Ų75.416%0.16435%0.354CS..Hα-helixtrans-62.7-41.6172.4-68.4172.427.300111.7I73 R75 L76 A77 D80 L85 A86 I87I73-Q83 HydrophobicContact CD1-CG 3.99Å; I73-Q83 HydrophobicContact CG2-CG 3.95Å; R75-Q83 PolarHBondContact O-NE2 3.26Å; R75-Q83 PolarHBondContact O-OE1 2.88Å; L76-Q83 HydrophobicContact CD1-CB 4.15Å; L76-Q83 HydrophobicContact CD1-CG 4.42Å; A77-Q83 WeakPolarHBondContact O-CB 3.42Å; A77-Q83 PolarHBondContact O-OE1 2.79Å; A77-Q83 VanDerWaalsContact O-OE1 3.08Å; D80-Q83 HydrophobicContact CB-CB 4.16Å; D80-Q83 HydrophobicContact CB-CG 4.06Å; D80-Q83 PolarHBondContact O-N 2.99Å; D80-Q83 PolarHBondContact OD1-N 3.42Å; D80-Q83 VanDerWaalsContact OD1-N 3.1Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.87Å; Q83-A86 PolarHBondContact O-N 3Å; Q83-I87 WeakPolarHBondContact O-CG1 3.34Å; Q83-I87 PolarHBondContact O-N 3.23Å
84R96Very high95.4Very high69 Ų6972.5 Ų72.526%0.2634%0.339SS..Hα-helixtrans-56.6-45.1173.7-72.1-158.6-65.6-800.4112.6D48 Q78 K79 D80 W81 A86 I87 R88D48-R84 IonicContact OD2-NH2 3.98Å; Q78-R84 HydrophobicContact CB-CG 4.16Å; Q78-R84 WeakPolarHBondContact O-CD 3.38Å; Q78-R84 WeakPolarHBondContact O-CG 3.47Å; Q78-R84 PolarHBondContact O-NH1 3.29Å; Q78-R84 VanDerWaalsContact OE1-CD 3.3Å; K79-R84 PolarHBondContact O-NH1 3.4Å; K79-R84 VanDerWaalsContact O-NH1 3.11Å; D80-R84 WeakPolarHBondContact O-CG 3.33Å; D80-R84 PolarHBondContact O-N 3.22Å; W81-R84 WeakPolarHBondContact O-CB 3.32Å; W81-R84 PolarHBondContact O-N 2.82Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 2.9Å; R84-I87 PolarHBondContact O-N 2.95Å; R84-R88 WeakPolarHBondContact O-CB 3.28Å; R84-R88 WeakPolarHBondContact O-CG 3.39Å; R84-R88 PolarHBondContact O-N 3.1Å
85L96.8Very high95.6Very high2 Ų262.6 Ų62.61%0.0130%0.296CS..Hα-helixtrans-59.8-44.2178.9-67.9172.8000111.7L46 M51 W81 K82 Q83 R88 A89L46-L85 HydrophobicContact CG-CD1 4.28Å; L46-L85 WeakPolarHBondContact O-CD1 3.43Å; M51-L85 HydrophobicContact CB-CD2 3.48Å; M51-L85 VanDerWaalsContact CB-CD2 3.48Å; M51-L85 HydrophobicContact CG-CD2 3.71Å; M51-L85 HydrophobicContact SD-CD2 4.46Å; W81-L85 HydrophobicContact CE3-CD1 3.58Å; W81-L85 HydrophobicContact CE3-CG 4.43Å; W81-L85 HydrophobicContact CZ3-CD1 3.53Å; W81-L85 WeakPolarHBondContact O-CG 3.27Å; W81-L85 PolarHBondContact O-N 3.46Å; W81-L85 VanDerWaalsContact O-N 3.1Å; K82-L85 PolarHBondContact O-N 3.38Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.87Å; L85-R88 PolarHBondContact O-N 3.33Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 3.1Å
86A96.6Very high95.8Very high9 Ų953 Ų537%0.07426%0.26CS..Hα-helixtrans-63.4-42.8175.900000112.5V29 L69 L76 K82 Q83 R84 A89 V90V29-A86 HydrophobicContact CG2-CB 4.02Å; L69-A86 HydrophobicContact CD1-CB 4.09Å; L69-A86 HydrophobicContact CD2-CB 4.12Å; L76-A86 HydrophobicContact CD1-CB 4.18Å; K82-A86 PolarHBondContact O-N 2.89Å; Q83-A86 PolarHBondContact O-N 3Å; R84-A86 VanDerWaalsContact C-N 3.33Å; R84-A86 PolarHBondContact O-N 2.9Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 3.33Å
87I96.9Very high96Very high23 Ų2348 Ų4812%0.11823%0.234CC..Hα-helixtrans-60.2-49.4176.3-64.5163.1000110.3L76 Q78 Q83 R84 A89 V90 E91L76-I87 HydrophobicContact CD1-CD1 4.36Å; L76-I87 HydrophobicContact CD1-CG1 3.86Å; L76-I87 HydrophobicContact CD2-CG1 3.88Å; L76-I87 HydrophobicContact CG-CD1 3.99Å; L76-I87 HydrophobicContact CG-CG1 3.57Å; Q78-I87 HydrophobicContact CG-CD1 3.98Å; Q78-I87 VanDerWaalsContact NE2-CG2 3.27Å; Q83-I87 WeakPolarHBondContact O-CG1 3.34Å; Q83-I87 PolarHBondContact O-N 3.23Å; R84-I87 PolarHBondContact O-N 2.95Å; I87-A89 VanDerWaalsContact C-N 3.34Å; I87-A89 PolarHBondContact O-N 3.11Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-E91 HydrophobicContact CG2-CG 4.22Å; I87-E91 WeakPolarHBondContact O-CB 3.4Å; I87-E91 WeakPolarHBondContact O-CG 3.47Å; I87-E91 PolarHBondContact O-N 3.31Å
88R97.3Very high96.1Very high47 Ų4746 Ų4618%0.17722%0.217CC..Hα-helixtrans-59.6-43.2178.6-71.717165-170.62.5112D48 M51 E55 R84 L85 E91 A92D48-R88 IonicContact OD1-NH1 2.87Å; D48-R88 PolarHBondContact OD1-NH1 3.32Å; D48-R88 VanDerWaalsContact OD1-NH1 3.17Å; M51-R88 HydrophobicContact CE-CB 3.95Å; M51-R88 HydrophobicContact CG-CB 4.44Å; M51-R88 VanDerWaalsContact CG-CZ 3.47Å; E55-R88 IonicContact OE1-CZ 3.4Å; E55-R88 VanDerWaalsContact OE1-CZ 3.27Å; E55-R88 IonicContact OE1-NE 3.82Å; E55-R88 PolarHBondContact OE1-NE 3.45Å; E55-R88 IonicContact OE1-NH2 3.75Å; E55-R88 PolarHBondContact OE1-NH2 2.96Å; E55-R88 IonicContact OE2-CZ 3.79Å; E55-R88 IonicContact OE2-NE 3.56Å; E55-R88 IonicContact OE2-NH2 3.69Å; E55-R88 PolarHBondContact OE2-NH2 3.37Å; R84-R88 WeakPolarHBondContact O-CB 3.28Å; R84-R88 WeakPolarHBondContact O-CG 3.39Å; R84-R88 PolarHBondContact O-N 3.1Å; L85-R88 PolarHBondContact O-N 3.33Å; R88-E91 PolarHBondContact O-N 2.71Å; R88-A92 VanDerWaalsContact O-CB 3.27Å; R88-A92 WeakPolarHBondContact O-CB 3.37Å; R88-A92 PolarHBondContact O-N 3.21Å
89A97.1Very high96.3Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-60.4-46.2176.400000111.6V29 M51 L85 A86 I87 A92 G93 M94 V96V29-A89 HydrophobicContact CG1-CB 4.14Å; M51-A89 HydrophobicContact CE-CB 4.18Å; L85-A89 WeakPolarHBondContact O-CB 3.32Å; L85-A89 PolarHBondContact O-N 3.1Å; A86-A89 PolarHBondContact O-N 3.45Å; I87-A89 VanDerWaalsContact C-N 3.34Å; I87-A89 PolarHBondContact O-N 3.11Å; A89-A92 PolarHBondContact O-N 2.79Å; A89-G93 PolarHBondContact O-N 3.09Å; A89-M94 HydrophobicContact CB-CB 4.29Å; A89-M94 PolarHBondContact O-N 3.21Å; A89-V96 HydrophobicContact CB-CG2 3.93Å
90V96.3Very high96.6Very high62 Ų6233.8 Ų33.838%0.37616%0.164SC..Hα-helixtrans-61.4-46.3176172.30000111.6V29 A86 I87 A92 G93V29-V90 HydrophobicContact CG1-CG2 3.56Å; A86-V90 WeakPolarHBondContact O-CG2 3.35Å; A86-V90 PolarHBondContact O-N 3.33Å; I87-V90 PolarHBondContact O-N 3.03Å; V90-A92 PolarHBondContact O-N 3.32Å; V90-G93 PolarHBondContact O-N 3.4Å; V90-G93 VanDerWaalsContact O-N 3.09Å
91E95.6Very high96.8Very high141 Ų14131.1 Ų31.166%0.65915%0.15SC*.Hα-helixtrans-63.6-40-179.9-73.3175.7162.300112.2I87 R88 G93I87-E91 HydrophobicContact CG2-CG 4.22Å; I87-E91 WeakPolarHBondContact O-CB 3.4Å; I87-E91 WeakPolarHBondContact O-CG 3.47Å; I87-E91 PolarHBondContact O-N 3.31Å; R88-E91 PolarHBondContact O-N 2.71Å; E91-G93 PolarHBondContact O-N 3.34Å
92A96.3Very high97Very high35 Ų3526 Ų2629%0.28913%0.13SC..Hα-helixtrans-72.3-17.817500000112.8R35 R88 A89 V90 M94R35-A92 PolarHBondContact NH1-O 3.01Å; R88-A92 VanDerWaalsContact O-CB 3.27Å; R88-A92 WeakPolarHBondContact O-CB 3.37Å; R88-A92 PolarHBondContact O-N 3.21Å; A89-A92 PolarHBondContact O-N 2.79Å; V90-A92 PolarHBondContact O-N 3.32Å; A92-M94 HydrophobicContact CB-CE 3.84Å; A92-M94 HydrophobicContact CB-CG 4.07Å; A92-M94 HydrophobicContact CB-SD 3.91Å
93G96.7Very high97.1Very high5 Ų526.6 Ų26.65%0.05213%0.131CC..THydrogen-bonded Turntrans76.733.8-17500000113A89 V90 E91A89-G93 PolarHBondContact O-N 3.09Å; V90-G93 PolarHBondContact O-N 3.4Å; V90-G93 VanDerWaalsContact O-N 3.09Å; E91-G93 PolarHBondContact O-N 3.34Å
94M97.7Very high97.2Very high4 Ų425.7 Ų25.72%0.0213%0.127CC..  trans-99.3134.9178.2-70.8168.9-172.300111.2M51 A54 E55 C59 D60 I62 A89 A92M51-M94 HydrophobicContact CE-SD 3.69Å; A54-M94 HydrophobicContact CB-CE 4.41Å; A54-M94 HydrophobicContact CB-SD 4.19Å; A54-M94 VanDerWaalsContact O-CE 3.25Å; A54-M94 WeakPolarHBondContact O-CE 3.33Å; E55-M94 HydrophobicContact CG-CE 4.32Å; C59-M94 HydrophobicContact CB-CE 4.45Å; C59-M94 WeakPolarHBondContact O-CE 3.42Å; C59-M94 WeakPolarHBondContact O-CG 3.4Å; D60-M94 WeakPolarHBondContact O-CA 3.4Å; I62-M94 HydrophobicContact CD1-SD 4.22Å; A89-M94 HydrophobicContact CB-CB 4.29Å; A89-M94 PolarHBondContact O-N 3.21Å; A92-M94 HydrophobicContact CB-CE 3.84Å; A92-M94 HydrophobicContact CB-CG 4.07Å; A92-M94 HydrophobicContact CB-SD 3.91Å
95A98.4Very high97.3Very high1 Ų122.5 Ų22.51%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-80.9152165.100000110.9L3 L27 V29 D60 L61 I62L3-A95 HydrophobicContact CD1-CB 3.82Å; L3-A95 HydrophobicContact CD2-CB 4.05Å; L27-A95 HydrophobicContact CD1-CB 4.01Å; V29-A95 CarbonylContact O-C 3.54Å; V29-A95 VanDerWaalsContact O-CA 3.27Å; V29-A95 WeakPolarHBondContact O-CA 3.12Å; D60-A95 PolarHBondContact O-N 2.85Å; L61-A95 WeakPolarHBondContact CA-O 3.35Å; L61-A95 HydrophobicContact CD1-CB 3.61Å; I62-A95 PolarHBondContact N-O 3.35Å
96V98.5Very high97.2Very high2 Ų223.5 Ų23.51%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-127.6121.9172.1-176.60000109L28 V29 L46 I62 P68 A89L28-V96 PolarHBondContact N-O 2.88Å; V29-V96 HydrophobicContact CB-CB 3.89Å; V29-V96 HydrophobicContact CB-CG2 3.95Å; V29-V96 HydrophobicContact CG2-CB 4.1Å; V29-V96 HydrophobicContact CG2-CG2 4.15Å; V29-V96 PolarHBondContact N-O 3.27Å; V29-V96 PolarHBondContact O-N 2.98Å; L46-V96 HydrophobicContact CD2-CG1 4.25Å; L46-V96 HydrophobicContact CD2-CG2 4.29Å; I62-V96 HydrophobicContact CB-CG2 4.45Å; I62-V96 CarbonylContact O-C 3.56Å; I62-V96 WeakPolarHBondContact O-CA 3.42Å; P68-V96 HydrophobicContact CG-CG1 3.92Å; A89-V96 HydrophobicContact CB-CG2 3.93Å
97F98.8Very high97.2Very high2 Ų229.8 Ų29.81%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-120.1146.1178.3177.8-89000110.6L7 L10 L16 G26 L61 I62 V63 S64 P99L7-F97 HydrophobicContact CD2-CB 4.44Å; L7-F97 HydrophobicContact CD2-CD2 3.44Å; L7-F97 VanDerWaalsContact CD2-CD2 3.44Å; L7-F97 HydrophobicContact CD2-CE2 3.97Å; L7-F97 HydrophobicContact CD2-CG 4.2Å; L10-F97 HydrophobicContact CB-CE1 4.01Å; L10-F97 HydrophobicContact CB-CZ 3.95Å; L10-F97 HydrophobicContact CD1-CD1 3.83Å; L10-F97 HydrophobicContact CD1-CD2 4.43Å; L10-F97 HydrophobicContact CD1-CE1 4.08Å; L10-F97 HydrophobicContact CD1-CG 4.02Å; L10-F97 HydrophobicContact CD1-CZ 4.47Å; L16-F97 HydrophobicContact CD2-CE2 4.33Å; L16-F97 HydrophobicContact CD2-CZ 3.97Å; G26-F97 VanDerWaalsContact CA-CE2 3.49Å; G26-F97 CarbonylContact O-C 3.58Å; G26-F97 VanDerWaalsContact O-CA 3.29Å; G26-F97 WeakPolarHBondContact O-CA 3.41Å; G26-F97 WeakPolarHBondContact O-CD2 3.45Å; L61-F97 HydrophobicContact CD1-CB 4.03Å; I62-F97 PolarHBondContact O-N 2.9Å; V63-F97 WeakPolarHBondContact CA-O 3.42Å; V63-F97 HydrophobicContact CG1-CD1 4.2Å; V63-F97 HydrophobicContact CG2-CD1 4.47Å; S64-F97 PolarHBondContact N-O 3.49Å; F97-P99 HydrophobicContact CE1-CB 4.03Å; F97-P99 HydrophobicContact CE1-CG 4.4Å
98S98.5Very high97.1Very high0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-137.6117.8178.4-1760000112.2V25 G26 S64 Y65 P67V25-S98 CarbonylContact C-O 3.54Å; V25-S98 WeakPolarHBondContact CA-O 3.25Å; V25-S98 WeakPolarHBondContact CB-O 3.27Å; G26-S98 PolarHBondContact N-O 2.85Å; G26-S98 PolarHBondContact O-N 2.86Å; S64-S98 VanDerWaalsContact O-CA 3.23Å; S64-S98 WeakPolarHBondContact O-CA 3.4Å; S64-S98 WeakPolarHBondContact O-CB 3.39Å; S64-S98 PolarHBondContact O-OG 3.42Å; S64-S98 VanDerWaalsContact O-OG 3.08Å; Y65-S98 PolarHBondContact O-OG 2.96Å; P67-S98 WeakPolarHBondContact CA-OG 3.49Å; P67-S98 WeakPolarHBondContact CB-OG 3.25Å
99P97.4Very high97Very high11 Ų1129.6 Ų29.67%0.07116%0.164CC..  trans-84.9-35.1175.433.3-33.8000112.9V25 F97 T101 S102 W103V25-P99 WeakPolarHBondContact CG1-O 3.35Å; F97-P99 HydrophobicContact CE1-CB 4.03Å; F97-P99 HydrophobicContact CE1-CG 4.4Å; P99-T101 PolarHBondContact O-N 2.73Å; P99-S102 WeakPolarHBondContact O-CB 3.46Å; P99-S102 PolarHBondContact O-N 2.8Å; P99-S102 PolarHBondContact O-OG 2.84Å; P99-W103 HydrophobicContact CB-CB 4.14Å; P99-W103 HydrophobicContact CB-CE3 4.38Å; P99-W103 HydrophobicContact CG-CB 4.38Å
100H97.8Very high96.9Very high25 Ų2531.6 Ų31.612%0.11618%0.177CC..THydrogen-bonded Turntrans40.5-119177.6-163.9-140.3000113.8W22 D23 V25 Y65 H66 S102 W103 D104W22-H100 AromaticContact CZ3-CE1 4Å; D23-H100 IonicContact OD1-CE1 2.8Å; D23-H100 IonicContact OD1-CG 3.36Å; D23-H100 IonicContact OD1-ND1 3.85Å; D23-H100 PolarHBondContact OD1-ND1 2.7Å; D23-H100 WeakPolarHBondContact OD2-CB 3.3Å; D23-H100 IonicContact OD2-CE1 3.49Å; D23-H100 IonicContact OD2-CG 3.81Å; D23-H100 IonicContact OD2-ND1 2.76Å; D23-H100 PolarHBondContact OD2-ND1 2.92Å; V25-H100 HydrophobicContact CG1-CB 4.02Å; Y65-H100 WeakPolarHBondContact O-CA 3.38Å; Y65-H100 VanDerWaalsContact O-CB 3.23Å; Y65-H100 WeakPolarHBondContact O-CB 3.43Å; Y65-H100 PolarHBondContact O-N 3.42Å; H66-H100 AromaticContact CD2-CD2 3.74Å; H66-H100 AromaticContact CD2-NE2 3.73Å; H100-S102 PolarHBondContact O-N 2.81Å; H100-S102 VanDerWaalsContact O-N 3.16Å; H100-W103 WeakPolarHBondContact O-CB 3.32Å; H100-W103 PolarHBondContact O-N 3.04Å; H100-D104 PolarHBondContact O-N 2.8Å
101T97.6Very high96.9Very high4 Ų430.2 Ų30.23%0.02517%0.167CC..Hα-helixtrans-66-19.6-175.161.30000114A19 E20 W22 D23 P99 W103 D104 S105 Q220A19-T101 WeakPolarHBondContact CA-OG1 3.29Å; A19-T101 WeakPolarHBondContact CB-OG1 3.08Å; E20-T101 HydrophobicContact CB-CG2 4.36Å; E20-T101 HydrophobicContact CG-CG2 4.28Å; E20-T101 PolarHBondContact N-OG1 2.97Å; W22-T101 HydrophobicContact CH2-CG2 3.55Å; W22-T101 HydrophobicContact CZ2-CG2 3.87Å; W22-T101 HydrophobicContact CZ3-CG2 4.38Å; D23-T101 VanDerWaalsContact OD2-CB 3.3Å; D23-T101 WeakPolarHBondContact OD2-CB 3.49Å; D23-T101 VanDerWaalsContact OD2-CG2 3.29Å; D23-T101 WeakPolarHBondContact OD2-CG2 3.38Å; D23-T101 PolarHBondContact OD2-N 2.89Å; D23-T101 VanDerWaalsContact OD2-N 3.11Å; D23-T101 PolarHBondContact OD2-OG1 3Å; P99-T101 PolarHBondContact O-N 2.73Å; T101-W103 PolarHBondContact O-N 2.89Å; T101-D104 PolarHBondContact O-N 3.08Å; T101-S105 PolarHBondContact O-N 2.9Å; T101-S105 VanDerWaalsContact O-N 3.07Å; T101-S105 PolarHBondContact O-OG 2.76Å; T101-Q220 PolarHBondContact O-NE2 2.96Å
102S97Very high97Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-63.5-36.9172.477.10000111P15 P99 H100 S105 M106P15-S102 WeakPolarHBondContact O-CB 3.18Å; P99-S102 WeakPolarHBondContact O-CB 3.46Å; P99-S102 PolarHBondContact O-N 2.8Å; P99-S102 PolarHBondContact O-OG 2.84Å; H100-S102 PolarHBondContact O-N 2.81Å; H100-S102 VanDerWaalsContact O-N 3.16Å; S102-S105 WeakPolarHBondContact O-CB 3.22Å; S102-S105 PolarHBondContact O-N 2.85Å; S102-M106 WeakPolarHBondContact O-CG 3.38Å; S102-M106 PolarHBondContact O-N 2.91Å
103W96.9Very high97Very high82 Ų8230.5 Ų30.531%0.31116%0.158SC..Hα-helixtrans-74.5-33.6176.9-158.5-88.5000112.3L13 A14 P99 H100 T101 S105 M106 V110L13-W103 HydrophobicContact CB-CH2 3.85Å; L13-W103 HydrophobicContact CB-CZ3 3.57Å; A14-W103 HydrophobicContact CB-CB 4.44Å; A14-W103 HydrophobicContact CB-CD2 4.12Å; A14-W103 HydrophobicContact CB-CE3 3.21Å; A14-W103 HydrophobicContact CB-CZ3 3.65Å; P99-W103 HydrophobicContact CB-CB 4.14Å; P99-W103 HydrophobicContact CB-CE3 4.38Å; P99-W103 HydrophobicContact CG-CB 4.38Å; H100-W103 WeakPolarHBondContact O-CB 3.32Å; H100-W103 PolarHBondContact O-N 3.04Å; T101-W103 PolarHBondContact O-N 2.89Å; W103-S105 PolarHBondContact O-N 3.43Å; W103-M106 WeakPolarHBondContact O-CB 3.35Å; W103-M106 PolarHBondContact O-N 2.79Å; W103-M106 VanDerWaalsContact O-N 3.13Å; W103-V110 VanDerWaalsContact CD1-CG2 3.5Å
104D97.4Very high97Very high15 Ų1533.1 Ų33.18%0.0817%0.17CC..Hα-helixtrans-63-34.2173.7-66-28.9000112.3Y65 H100 T101 M106 N111Y65-D104 PolarHBondContact OH-OD1 3.27Å; Y65-D104 PolarHBondContact OH-OD2 3.08Å; H100-D104 PolarHBondContact O-N 2.8Å; T101-D104 PolarHBondContact O-N 3.08Å; D104-M106 VanDerWaalsContact C-N 3.3Å; D104-N111 PolarHBondContact O-ND2 3.42Å
105S97Very high97Very high2 Ų233.8 Ų33.81%0.01417%0.174CC..THydrogen-bonded Turntrans-72.8-17.9175.4-770000113.6L18 T101 S102 W103 H218 G219 Q220L18-S105 WeakPolarHBondContact O-CB 3.32Å; L18-S105 PolarHBondContact O-OG 3.01Å; T101-S105 PolarHBondContact O-N 2.9Å; T101-S105 VanDerWaalsContact O-N 3.07Å; T101-S105 PolarHBondContact O-OG 2.76Å; S102-S105 WeakPolarHBondContact O-CB 3.22Å; S102-S105 PolarHBondContact O-N 2.85Å; W103-S105 PolarHBondContact O-N 3.43Å; S105-H218 CarbonylContact O-C 3.57Å; S105-H218 WeakPolarHBondContact O-CA 3.47Å; S105-H218 WeakPolarHBondContact O-CB 3.27Å; S105-G219 WeakPolarHBondContact CA-O 3.35Å; S105-G219 PolarHBondContact O-N 2.92Å; S105-Q220 PolarHBondContact OG-NE2 3.41Å
106M96.4Very high96.9Very high24 Ų2435.9 Ų35.912%0.11820%0.196CC..SBendtrans-70.8138.6-172.6-76.2-53.7-61.200112.9L13 A14 L18 S102 W103 D104 G108 G109 R222L13-M106 VanDerWaalsContact O-CE 3.3Å; L13-M106 WeakPolarHBondContact O-CE 3.23Å; A14-M106 HydrophobicContact CB-CG 3.66Å; A14-M106 HydrophobicContact CB-SD 4.24Å; L18-M106 HydrophobicContact CD1-SD 3.42Å; L18-M106 WeakPolarHBondContact CD1-SD 3.26Å; S102-M106 WeakPolarHBondContact O-CG 3.38Å; S102-M106 PolarHBondContact O-N 2.91Å; W103-M106 WeakPolarHBondContact O-CB 3.35Å; W103-M106 PolarHBondContact O-N 2.79Å; W103-M106 VanDerWaalsContact O-N 3.13Å; D104-M106 VanDerWaalsContact C-N 3.3Å; M106-G108 PolarHBondContact O-N 3.46Å; M106-G109 WeakPolarHBondContact O-CA 3.19Å; M106-G109 PolarHBondContact O-N 2.98Å; M106-R222 PolarHBondContact O-NH2 3.12Å
107K95.6Very high96.7Very high141 Ų14136.3 Ų36.361%0.61320%0.2SC*.THydrogen-bonded Turntrans-65.9129163.7-174.9-176.9176.8-177.60109.4G217K107-G217 WeakPolarHBondContact CB-O 3.34Å
108G94.2Very high96.6Very high63 Ų6338.4 Ų38.465%0.64921%0.211SC*.THydrogen-bonded Turntrans75.310-170.700000113.7M106 D112M106-G108 PolarHBondContact O-N 3.46Å; G108-D112 WeakPolarHBondContact CA-OD2 3.17Å; G108-D112 PolarHBondContact N-OD2 3.2Å
109G95Very high96.4Very high3 Ų339.9 Ų39.93%0.03123%0.227CC..SBendtrans-81.3-160.3-179.500000113.5M106 N111 D112 W113M106-G109 WeakPolarHBondContact O-CA 3.19Å; M106-G109 PolarHBondContact O-N 2.98Å; G109-N111 VanDerWaalsContact C-N 3.33Å; G109-N111 PolarHBondContact O-N 2.72Å; G109-D112 PolarHBondContact N-OD2 2.85Å; G109-D112 PolarHBondContact O-N 2.94Å; G109-W113 PolarHBondContact O-N 2.81Å
110V95.7Very high96.2Very high42 Ų4243.3 Ų43.326%0.25525%0.251SS..Hα-helixtrans-56.4-45.4-176.1165.10000111.7Y65 W103 D112 W113 L114Y65-V110 HydrophobicContact CE2-CG2 4.19Å; W103-V110 VanDerWaalsContact CD1-CG2 3.5Å; V110-D112 PolarHBondContact O-N 3Å; V110-W113 PolarHBondContact O-N 3.36Å; V110-L114 HydrophobicContact CG1-CD1 3.8Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CB 3.14Å; V110-L114 VanDerWaalsContact O-CG 3.27Å; V110-L114 WeakPolarHBondContact O-CG 3.26Å; V110-L114 PolarHBondContact O-N 3.13Å
111N97.4Very high96.1Very high32 Ų3243.4 Ų43.417%0.17126%0.259CS..Hα-helixtrans-69.2-31.7-177-67.9-55.7000113.4D104 G109 V115 R222D104-N111 PolarHBondContact O-ND2 3.42Å; G109-N111 VanDerWaalsContact C-N 3.33Å; G109-N111 PolarHBondContact O-N 2.72Å; N111-V115 PolarHBondContact O-N 3.3Å; N111-V115 VanDerWaalsContact O-N 3.09Å; N111-R222 HydrophobicContact CB-CG 3.7Å
112D96.9Very high96Very high39 Ų3950.6 Ų50.621%0.20929%0.292CS..Hα-helixtrans-69.6-42.3173.4-69.1-60.8000111.1G108 G109 V110 V115 G116 R222G108-D112 WeakPolarHBondContact CA-OD2 3.17Å; G108-D112 PolarHBondContact N-OD2 3.2Å; G109-D112 PolarHBondContact N-OD2 2.85Å; G109-D112 PolarHBondContact O-N 2.94Å; V110-D112 PolarHBondContact O-N 3Å; D112-V115 WeakPolarHBondContact O-CG1 3.28Å; D112-G116 PolarHBondContact O-N 3.28Å; D112-R222 WeakPolarHBondContact OD1-CD 3.38Å; D112-R222 IonicContact OD1-CZ 3.83Å; D112-R222 IonicContact OD1-NE 2.94Å; D112-R222 PolarHBondContact OD1-NE 2.85Å; D112-R222 IonicContact OD1-NH2 2.72Å; D112-R222 IonicContact OD2-CZ 2.74Å; D112-R222 IonicContact OD2-NE 3.4Å; D112-R222 PolarHBondContact OD2-NE 3.5Å; D112-R222 IonicContact OD2-NH2 2.76Å; D112-R222 PolarHBondContact OD2-NH2 2.91Å
113W96.8Very high96Very high144 Ų14453.8 Ų53.855%0.54531%0.312SS..Hα-helixtrans-61.5-44.5174176.181.9000111.6G109 V110 G116 H242 L243G109-W113 PolarHBondContact O-N 2.81Å; V110-W113 PolarHBondContact O-N 3.36Å; W113-G116 PolarHBondContact O-N 2.86Å; W113-H242 AromaticContact CD2-NE2 3.81Å; W113-H242 AromaticContact CE2-CE1 3.86Å; W113-H242 AromaticContact CE2-NE2 3.6Å; W113-H242 AromaticContact CZ2-NE2 3.79Å; W113-H242 AromaticContact NE1-CE1 3.82Å; W113-H242 AromaticContact NE1-NE2 3.97Å; W113-H242 PolarHBondContact O-CE1 2.89Å; W113-H242 PolarHBondContact O-NE2 3.48Å; W113-L243 HydrophobicContact CH2-CD2 3.83Å; W113-L243 HydrophobicContact CZ3-CD2 3.82Å
114L96.9Very high96Very high59 Ų5952.9 Ų52.931%0.30932%0.318SS..Hα-helixtrans-59.7-49.6178.7-75.8172.7000111.7V110 G116 G117 L243V110-L114 HydrophobicContact CG1-CD1 3.8Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CB 3.14Å; V110-L114 VanDerWaalsContact O-CG 3.27Å; V110-L114 WeakPolarHBondContact O-CG 3.26Å; V110-L114 PolarHBondContact O-N 3.13Å; L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.05Å; L114-G117 PolarHBondContact O-N 2.86Å; L114-L243 HydrophobicContact CD2-CD2 3.69Å
115V96.4Very high96Very high19 Ų1953.3 Ų53.312%0.11532%0.321CS..Hα-helixtrans-71.6-26.6-176.182.10000112.6N111 D112 G117 L118 V123 R222N111-V115 PolarHBondContact O-N 3.3Å; N111-V115 VanDerWaalsContact O-N 3.09Å; D112-V115 WeakPolarHBondContact O-CG1 3.28Å; V115-G117 PolarHBondContact O-N 2.78Å; V115-G117 VanDerWaalsContact O-N 3.14Å; V115-L118 HydrophobicContact CG2-CD1 4.29Å; V115-L118 PolarHBondContact O-N 2.8Å; V115-V123 HydrophobicContact CG1-CG1 4Å; V115-V123 HydrophobicContact CG1-CG2 3.99Å; V115-R222 HydrophobicContact CB-CB 4.22Å; V115-R222 HydrophobicContact CG1-CB 4.09Å; V115-R222 HydrophobicContact CG1-CG 4.34Å; V115-R222 HydrophobicContact CG2-CB 4.49Å
116G96.1Very high96Very high45 Ų4559 Ų5946%0.46435%0.35SS..Hα-helixtrans-57.5-25.3174.200000113.7D112 W113 L114 L118 G119D112-G116 PolarHBondContact O-N 3.28Å; W113-G116 PolarHBondContact O-N 2.86Å; L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.05Å; G116-L118 PolarHBondContact O-N 2.9Å; G116-G119 PolarHBondContact O-N 3.17Å
117G95.9Very high95.9Very high10 Ų1060.9 Ų60.910%0.10337%0.366CS..THydrogen-bonded Turntrans-61.1-22.9175.100000114.4L114 V115 K238L114-G117 PolarHBondContact O-N 2.86Å; V115-G117 PolarHBondContact O-N 2.78Å; V115-G117 VanDerWaalsContact O-N 3.14Å; G117-K238 WeakPolarHBondContact O-CB 3.4Å
118L95.4Very high95.8Very high46 Ų4657.4 Ų57.424%0.24135%0.352CS..THydrogen-bonded Turntrans-81.4-19.7180-65.8170.7000113.3V115 G116 L226 A235 K238 M239V115-L118 HydrophobicContact CG2-CD1 4.29Å; V115-L118 PolarHBondContact O-N 2.8Å; G116-L118 PolarHBondContact O-N 2.9Å; L118-L226 HydrophobicContact CB-CD2 3.98Å; L118-A235 HydrophobicContact CD2-CB 4.01Å; L118-K238 VanDerWaalsContact O-CD 3.3Å; L118-K238 WeakPolarHBondContact O-CD 3.36Å; L118-K238 PolarHBondContact O-NZ 3.25Å; L118-M239 HydrophobicContact CD2-CG 3.57Å; L118-M239 HydrophobicContact CD2-SD 3.71Å; L118-M239 HydrophobicContact CG-CG 4.28Å; L118-M239 HydrophobicContact CG-SD 3.73Å
119G93.9Very high95.8Very high31 Ų3155.1 Ų55.132%0.3233%0.327SS..  trans119.2-170.6-178.100000113.2G116G116-G119 PolarHBondContact O-N 3.17Å
120S94.9Very high95.4Very high84 Ų8459.4 Ų59.459%0.58735%0.346SS*.SBendtrans-74.8147.8179.964.20000112.1L226 D227S120-L226 WeakPolarHBondContact O-CA 3.12Å; S120-D227 WeakPolarHBondContact CB-OD2 3.02Å; S120-D227 PolarHBondContact O-N 3.06Å; S120-D227 PolarHBondContact OG-OD2 3.2Å
121G94.6Very high94.7Very high27 Ų2758 Ų5828%0.27834%0.34SS..EExtended strand (participates in β ladder)trans173.1177.4-178.100000112.1V225 D227G121-V225 CarbonylContact C-O 3.54Å; G121-V225 WeakPolarHBondContact CA-O 3.3Å; G121-D227 PolarHBondContact N-OD2 3.08Å
122Q96.6Very high93.3Very high154 Ų15459.5 Ų59.572%0.7236%0.363SS*.EExtended strand (participates in β ladder)trans-82124.1169.8-66.9-170.3-6.200109.8S224 V225Q122-S224 WeakPolarHBondContact O-CA 3.38Å; Q122-V225 PolarHBondContact N-O 2.84Å; Q122-V225 PolarHBondContact O-N 3.4Å
123V96.6Very high91.6Very high68 Ų6859.8 Ų59.841%0.41237%0.371SS..EExtended strand (participates in β ladder)trans-113128.6-179.4178.60000109.7V115 R222 L223V115-V123 HydrophobicContact CG1-CG1 4Å; V115-V123 HydrophobicContact CG1-CG2 3.99Å; V123-R222 HydrophobicContact CG1-CB 4.03Å; V123-R222 HydrophobicContact CG1-CG 4.03Å; V123-L223 WeakPolarHBondContact CA-O 3.33Å
124S96.8Very high90.1Very high62 Ų6257.3 Ų57.343%0.43438%0.375SS..EExtended strand (participates in β ladder)trans-127.9160172.262.30000111.1R222 L223S124-R222 CarbonylContact O-C 3.55Å; S124-R222 WeakPolarHBondContact O-CA 3.43Å; S124-L223 PolarHBondContact N-O 2.79Å; S124-L223 PolarHBondContact O-N 3.48Å
125V97.3Very high89.2Confident25 Ų2556.7 Ų56.715%0.15237%0.371CS..EExtended strand (participates in β ladder)trans-76.6146.3176-58.20000110.5Q128V125-Q128 HydrophobicContact CG2-CB 4.3Å
126L96.4Very high88.7Confident120 Ų12057 Ų5763%0.62837%0.374SS*.EExtended strand (participates in β ladder)trans-81.7-39.4176.7-75.1171.4000112Q220 G221 L223L126-Q220 WeakPolarHBondContact CB-O 3.27Å; L126-Q220 PolarHBondContact N-O 2.95Å; L126-G221 PolarHBondContact N-O 2.9Å; L126-L223 HydrophobicContact CD2-CB 3.81Å; L126-L223 HydrophobicContact CG-CB 4.39Å
127S94.5Very high88.4Confident64 Ų6456.3 Ų56.345%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-124.5116.3173.4-176.10000109.3A129 G219 Q220S127-A129 PolarHBondContact O-N 2.99Å; S127-G219 CarbonylContact O-C 3.45Å; S127-G219 VanDerWaalsContact O-C 3.28Å; S127-G219 WeakPolarHBondContact O-CA 3.5Å; S127-Q220 PolarHBondContact N-O 3.27Å; S127-Q220 PolarHBondContact O-N 2.84Å
128Q94.7Very high88.2Confident69 Ų6958.4 Ų58.432%0.32237%0.365SS..EExtended strand (participates in β ladder)trans-71.6123.8-174-178.757.969.400111.5V125 H130 P214 L215 H218V125-Q128 HydrophobicContact CG2-CB 4.3Å; Q128-H130 PolarHBondContact O-CE1 2.75Å; Q128-H130 PolarHBondContact O-ND1 3.21Å; Q128-P214 HydrophobicContact CG-CB 3.71Å; Q128-L215 PolarHBondContact NE2-O 3.43Å; Q128-H218 PolarHBondContact NE2-O 3.05Å
129A92.8Very high88Confident14 Ų1456.2 Ų56.212%0.11635%0.353CS..EExtended strand (participates in β ladder)trans-76151.1169.200000110.5L18 S127 L215 H218L18-A129 HydrophobicContact CD2-CB 3.99Å; S127-A129 PolarHBondContact O-N 2.99Å; A129-L215 PolarHBondContact O-N 3.4Å; A129-H218 HydrophobicContact CB-CB 4.03Å; A129-H218 WeakPolarHBondContact CB-O 3.48Å; A129-H218 PolarHBondContact N-O 3.09Å
130H87.9Confident87.9Confident93 Ų9358 Ų5843%0.43135%0.353SS..EExtended strand (participates in β ladder)trans-122.8146178.8-57.576.2000109.7Q128 K212 A213Q128-H130 PolarHBondContact O-CE1 2.75Å; Q128-H130 PolarHBondContact O-ND1 3.21Å; H130-K212 HydrophobicContact CB-CB 3.55Å; H130-K212 HydrophobicContact CB-CD 4.32Å; H130-K212 PolarHBondContact CD2-O 3.08Å; H130-K212 VanDerWaalsContact CD2-O 3.25Å; H130-A213 CarbonylContact C-O 3.28Å; H130-A213 WeakPolarHBondContact CA-O 3.46Å
131G79.4Confident87.8Confident13 Ų1354.2 Ų54.213%0.13433%0.326CS..  trans-64.8156.5-175.100000113A133 K212 A213G131-A133 PolarHBondContact O-N 2.62Å; G131-A133 VanDerWaalsContact O-N 3.17Å; G131-K212 WeakPolarHBondContact O-CD 3.32Å; G131-K212 WeakPolarHBondContact O-CG 3.41Å; G131-A213 PolarHBondContact N-O 3.17Å
132G67.8Low87.6Confident63 Ų6356.3 Ų56.365%0.64933%0.33SS*.  trans-65.7110.6161.500000108.6
133A61.8Low87.3Confident46 Ų4649.1 Ų49.138%0.3830%0.296SS..  trans-86.4117.2171.300000108.2G131 H135 K212G131-A133 PolarHBondContact O-N 2.62Å; G131-A133 VanDerWaalsContact O-N 3.17Å; A133-H135 WeakPolarHBondContact CB-O 3.46Å; A133-H135 PolarHBondContact O-N 2.91Å; A133-K212 HydrophobicContact CB-CG 4.23Å
134S66.7Low86.9Confident91 Ų9153.4 Ų53.464%0.63631%0.305SS*.SBendtrans-59-26.2171.5-51.90000111.5S184S134-S184 WeakPolarHBondContact O-CB 3.36Å
135H76.8Confident86.4Confident46 Ų4652.1 Ų52.121%0.21330%0.296CS..  trans-118.8125.6175-50.690.3000109.4A133 A164 C183 L210A133-H135 WeakPolarHBondContact CB-O 3.46Å; A133-H135 PolarHBondContact O-N 2.91Å; H135-A164 PolarHBondContact CD2-O 3.28Å; H135-A164 PolarHBondContact NE2-O 3.4Å; H135-C183 CarbonylContact C-O 3.58Å; H135-C183 WeakPolarHBondContact CA-O 3.48Å; H135-L210 HydrophobicContact CB-CD1 4.47Å
136S85.1Confident85.9Confident27 Ų2753.9 Ų53.919%0.18931%0.308CS..  trans-112.6-11.7-177.154.90000113.4C183 A185 L210S136-C183 PolarHBondContact N-O 3.25Å; S136-A185 WeakPolarHBondContact OG-CA 3.46Å; S136-A185 PolarHBondContact OG-N 3.31Å; S136-L210 PolarHBondContact O-N 3.18Å
137H90.3Very high85.5Confident30 Ų3054.4 Ų54.414%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-134.2150.9179.5-58.884.7000110.3T182 C183 L188 L208H137-T182 CarbonylContact O-C 3.59Å; H137-T182 VanDerWaalsContact O-CA 3.27Å; H137-T182 WeakPolarHBondContact O-CA 3.44Å; H137-C183 PolarHBondContact N-O 3.28Å; H137-C183 PolarHBondContact O-N 3.06Å; H137-L188 HydrophobicContact CB-CD1 4Å; H137-L208 CarbonylContact C-O 3.45Å; H137-L208 WeakPolarHBondContact CA-O 3.45Å
138K91.3Very high85.1Confident53 Ų5352.5 Ų52.523%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-122.7126.4171.2-178.9-174.7179.3-161.50108.2E140 S180 L181 T182 L208 L210K138-E140 HydrophobicContact CD-CG 4.34Å; K138-E140 WeakPolarHBondContact CE-OE1 3.41Å; K138-E140 HydrophobicContact CG-CG 4.26Å; K138-E140 IonicContact NZ-OE1 3.7Å; K138-E140 PolarHBondContact NZ-OE1 3.31Å; K138-S180 WeakPolarHBondContact CE-OG 3.5Å; K138-L181 CarbonylContact C-O 3.54Å; K138-L181 VanDerWaalsContact CA-O 3.28Å; K138-L181 WeakPolarHBondContact CA-O 3.37Å; K138-T182 HydrophobicContact CB-CG2 4.28Å; K138-T182 HydrophobicContact CG-CG2 4.25Å; K138-L208 HydrophobicContact CB-CB 4.33Å; K138-L208 HydrophobicContact CD-CD1 4.43Å; K138-L208 PolarHBondContact N-O 3.01Å; K138-L208 PolarHBondContact O-N 3.41Å; K138-L210 HydrophobicContact CB-CD1 4.28Å; K138-L210 HydrophobicContact CB-CD2 3.84Å; K138-L210 HydrophobicContact CB-CG 4.07Å; K138-L210 HydrophobicContact CD-CD2 4.48Å
139L91.9Very high84.8Confident0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-106.2121.7175.3-58.984.3000107.1L181 C183 L188 V192 L195 L205 S206L139-L181 HydrophobicContact CB-CB 4.28Å; L139-L181 HydrophobicContact CD1-CD2 4.26Å; L139-L181 PolarHBondContact N-O 2.82Å; L139-L181 PolarHBondContact O-N 2.94Å; L139-C183 HydrophobicContact CD1-CB 4.28Å; L139-C183 WeakPolarHBondContact CD1-SG 3.2Å; L139-L188 HydrophobicContact CD1-CD1 4.26Å; L139-L188 HydrophobicContact CD2-CD1 4.44Å; L139-L188 HydrophobicContact CG-CD1 4.47Å; L139-V192 HydrophobicContact CD2-CG2 3.82Å; L139-L195 HydrophobicContact CB-CD1 4.29Å; L139-L195 HydrophobicContact CD2-CD1 3.55Å; L139-L205 HydrophobicContact CB-CD1 4.05Å; L139-L205 HydrophobicContact CD2-CD1 4.3Å; L139-S206 CarbonylContact C-O 3.55Å; L139-S206 WeakPolarHBondContact CA-O 3.28Å
140E92.7Very high84.5Confident69 Ų6954.7 Ų54.732%0.32230%0.303SS..EExtended strand (participates in β ladder)trans-111.5129.8174.5-64.7-175138.100108.9K138 V179 L205 S206K138-E140 HydrophobicContact CD-CG 4.34Å; K138-E140 WeakPolarHBondContact CE-OE1 3.41Å; K138-E140 HydrophobicContact CG-CG 4.26Å; K138-E140 IonicContact NZ-OE1 3.7Å; K138-E140 PolarHBondContact NZ-OE1 3.31Å; E140-V179 WeakPolarHBondContact CA-O 3.29Å; E140-L205 CarbonylContact O-C 3.29Å; E140-L205 WeakPolarHBondContact O-CA 3.42Å; E140-S206 PolarHBondContact N-O 2.77Å; E140-S206 PolarHBondContact O-N 3.39Å
141F92.1Very high84.6Confident5 Ų552.5 Ų52.52%0.02230%0.301CS..EExtended strand (participates in β ladder)trans-154.4167179.560.3-88.5000110.7V143 V152 V179 L181 L195 P201 L205F141-V143 HydrophobicContact CD2-CG1 4Å; F141-V143 HydrophobicContact CE2-CG1 3.79Å; F141-V152 HydrophobicContact CE2-CG1 4.1Å; F141-V152 HydrophobicContact CZ-CG1 4.01Å; F141-V179 HydrophobicContact CD1-CB 4.35Å; F141-V179 HydrophobicContact CD2-CB 3.97Å; F141-V179 HydrophobicContact CD2-CG2 4.17Å; F141-V179 HydrophobicContact CE1-CB 4.05Å; F141-V179 HydrophobicContact CE1-CG1 3.84Å; F141-V179 HydrophobicContact CE2-CB 3.65Å; F141-V179 HydrophobicContact CE2-CG1 3.86Å; F141-V179 HydrophobicContact CE2-CG2 3.79Å; F141-V179 HydrophobicContact CG-CB 4.33Å; F141-V179 HydrophobicContact CZ-CB 3.69Å; F141-V179 HydrophobicContact CZ-CG1 3.42Å; F141-V179 VanDerWaalsContact CZ-CG1 3.42Å; F141-V179 HydrophobicContact CZ-CG2 4.25Å; F141-V179 PolarHBondContact N-O 2.8Å; F141-V179 PolarHBondContact O-N 3.11Å; F141-L181 HydrophobicContact CE1-CB 4.23Å; F141-L195 HydrophobicContact CD1-CD1 3.79Å; F141-L195 HydrophobicContact CD1-CD2 3.96Å; F141-L195 HydrophobicContact CD2-CD2 4.14Å; F141-L195 HydrophobicContact CE1-CD1 3.81Å; F141-L195 HydrophobicContact CE1-CD2 3.57Å; F141-L195 HydrophobicContact CE1-CG 4.37Å; F141-L195 HydrophobicContact CE2-CD2 3.76Å; F141-L195 HydrophobicContact CG-CD2 4.22Å; F141-L195 HydrophobicContact CZ-CD2 3.45Å; F141-L195 VanDerWaalsContact CZ-CD2 3.45Å; F141-P201 HydrophobicContact CB-CB 4.2Å; F141-P201 HydrophobicContact CD2-CB 3.66Å; F141-P201 HydrophobicContact CD2-CG 3.8Å; F141-P201 HydrophobicContact CE2-CB 4.32Å; F141-P201 HydrophobicContact CE2-CG 4.2Å; F141-P201 HydrophobicContact CG-CB 4.12Å; F141-L205 HydrophobicContact CB-CD1 4.3Å; F141-L205 HydrophobicContact CD1-CD1 4.43Å
142M91Very high85Confident71 Ų7151.9 Ų51.935%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-109.8143.9177.2-63-172.5-68.600111.2I177 A200 P201 S204M142-I177 WeakPolarHBondContact CA-O 3.42Å; M142-A200 CarbonylContact O-C 3.46Å; M142-A200 VanDerWaalsContact O-C 3.29Å; M142-P201 WeakPolarHBondContact O-CD 3.36Å; M142-S204 WeakPolarHBondContact CB-OG 3.49Å; M142-S204 PolarHBondContact N-OG 3.18Å
143V90.3Very high85.9Confident2 Ų250 Ų501%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-124.1152.7169-63.80000110.1F141 E148 L149 I177 V179 P201F141-V143 HydrophobicContact CD2-CG1 4Å; F141-V143 HydrophobicContact CE2-CG1 3.79Å; V143-E148 HydrophobicContact CB-CB 4.36Å; V143-E148 HydrophobicContact CB-CG 4.15Å; V143-E148 HydrophobicContact CG1-CG 4.19Å; V143-L149 HydrophobicContact CG2-CB 3.87Å; V143-L149 HydrophobicContact CG2-CD1 4.23Å; V143-I177 HydrophobicContact CG2-CB 3.69Å; V143-I177 HydrophobicContact CG2-CD1 4.32Å; V143-I177 HydrophobicContact CG2-CG1 4.45Å; V143-I177 HydrophobicContact CG2-CG2 4.26Å; V143-I177 PolarHBondContact N-O 3Å; V143-I177 PolarHBondContact O-N 3.01Å; V143-V179 HydrophobicContact CG1-CG2 4.24Å; V143-V179 HydrophobicContact CG2-CG2 3.81Å; V143-P201 HydrophobicContact CG1-CG 3.84Å
144R87.6Confident87.2Confident158 Ų15853.2 Ų53.260%0.59628%0.278SS*.SBendtrans-84.1-29.2-172.5-64.5169.2-71.8177.9-4.2112.7E148 S199 A200R144-E148 VanDerWaalsContact CB-OE2 3.3Å; R144-E148 WeakPolarHBondContact CB-OE2 3.47Å; R144-E148 IonicContact CZ-OE1 2.73Å; R144-E148 IonicContact CZ-OE2 2.75Å; R144-E148 PolarHBondContact N-OE2 3.23Å; R144-E148 IonicContact NE-OE1 2.62Å; R144-E148 PolarHBondContact NE-OE1 2.99Å; R144-E148 IonicContact NE-OE2 3.17Å; R144-E148 PolarHBondContact NE-OE2 3.09Å; R144-E148 IonicContact NH2-OE1 3.48Å; R144-E148 PolarHBondContact NH2-OE1 3.45Å; R144-E148 IonicContact NH2-OE2 3.56Å; R144-S199 PolarHBondContact NH2-OG 3.06Å; R144-A200 HydrophobicContact CG-CB 3.78Å
145S86.9Confident88.2Confident35 Ų3552.4 Ų52.425%0.24526%0.264CS..SBendtrans-147.8160.9-177.585.30000112.5E147 E148 L149S145-E147 WeakPolarHBondContact CB-OE2 3.38Å; S145-E147 PolarHBondContact O-N 3.03Å; S145-E147 PolarHBondContact OG-N 3.26Å; S145-E147 PolarHBondContact OG-OE2 3.18Å; S145-E148 PolarHBondContact O-N 2.89Å; S145-E148 PolarHBondContact OG-N 3.23Å; S145-L149 PolarHBondContact O-N 2.9Å
146P86.1Confident88.6Confident62 Ų6250.3 Ų50.340%0.40325%0.254SS..Hα-helixtrans-58.9-29.6173.1-23.434.4000113.5L149 N150 I177P146-L149 WeakPolarHBondContact O-CB 3.46Å; P146-L149 PolarHBondContact O-N 2.91Å; P146-N150 VanDerWaalsContact O-CG 3.29Å; P146-N150 PolarHBondContact O-N 3.16Å; P146-N150 PolarHBondContact O-ND2 3.35Å; P146-I177 HydrophobicContact CB-CD1 4.41Å; P146-I177 HydrophobicContact CG-CD1 3.93Å
147E87.8Confident88.6Confident132 Ų13254.6 Ų54.662%0.61727%0.269SS*.Hα-helixtrans-69.2-42.1177.6-58.171.1-151.600111.2S145 L149 N150 A151S145-E147 WeakPolarHBondContact CB-OE2 3.38Å; S145-E147 PolarHBondContact O-N 3.03Å; S145-E147 PolarHBondContact OG-N 3.26Å; S145-E147 PolarHBondContact OG-OE2 3.18Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-N150 PolarHBondContact O-N 3.45Å; E147-A151 PolarHBondContact O-N 3.24Å
148E87Confident88.2Confident23 Ų2357.5 Ų57.511%0.10730%0.299CS..Hα-helixtrans-63.8-39.6173.2-175.1171.3-138.300110.9V143 R144 S145 A151 V152V143-E148 HydrophobicContact CB-CB 4.36Å; V143-E148 HydrophobicContact CB-CG 4.15Å; V143-E148 HydrophobicContact CG1-CG 4.19Å; R144-E148 VanDerWaalsContact CB-OE2 3.3Å; R144-E148 WeakPolarHBondContact CB-OE2 3.47Å; R144-E148 IonicContact CZ-OE1 2.73Å; R144-E148 IonicContact CZ-OE2 2.75Å; R144-E148 PolarHBondContact N-OE2 3.23Å; R144-E148 IonicContact NE-OE1 2.62Å; R144-E148 PolarHBondContact NE-OE1 2.99Å; R144-E148 IonicContact NE-OE2 3.17Å; R144-E148 PolarHBondContact NE-OE2 3.09Å; R144-E148 IonicContact NH2-OE1 3.48Å; R144-E148 PolarHBondContact NH2-OE1 3.45Å; R144-E148 IonicContact NH2-OE2 3.56Å; S145-E148 PolarHBondContact O-N 2.89Å; S145-E148 PolarHBondContact OG-N 3.23Å; E148-A151 PolarHBondContact O-N 2.88Å; E148-V152 VanDerWaalsContact O-CG2 3.26Å; E148-V152 WeakPolarHBondContact O-CG2 3.48Å; E148-V152 PolarHBondContact O-N 3.37Å
149L87.1Confident87.4Confident28 Ų2857.4 Ų57.415%0.14731%0.305CS..Hα-helixtrans-57.7-50.2173.6-177.355.7000111.7V143 S145 P146 E147 A151 V152 V153 I177 V179V143-L149 HydrophobicContact CG2-CB 3.87Å; V143-L149 HydrophobicContact CG2-CD1 4.23Å; S145-L149 PolarHBondContact O-N 2.9Å; P146-L149 WeakPolarHBondContact O-CB 3.46Å; P146-L149 PolarHBondContact O-N 2.91Å; E147-L149 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.2Å; L149-V152 PolarHBondContact O-N 2.92Å; L149-V153 HydrophobicContact CD1-CG2 3.95Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CB 3.37Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 2.81Å; L149-I177 HydrophobicContact CD2-CG2 4.29Å; L149-V179 HydrophobicContact CD1-CB 4.45Å; L149-V179 HydrophobicContact CD1-CG1 3.98Å; L149-V179 HydrophobicContact CD1-CG2 3.55Å
150N88Confident86.2Confident102 Ų10258.9 Ų58.955%0.54531%0.313SS..Hα-helixtrans-63-41.8-178.3-72.1-20.4000111.6P146 E147 V153 E154P146-N150 VanDerWaalsContact O-CG 3.29Å; P146-N150 PolarHBondContact O-N 3.16Å; P146-N150 PolarHBondContact O-ND2 3.35Å; E147-N150 PolarHBondContact O-N 3.45Å; N150-V153 PolarHBondContact O-N 3.12Å; N150-E154 WeakPolarHBondContact O-CG 3.43Å; N150-E154 PolarHBondContact O-N 3.01Å
151A88.9Confident84.7Confident47 Ų4763.5 Ų63.539%0.38834%0.34SS..Hα-helixtrans-60.9-48.4176.800000112E147 E148 L149 V153 E154 E155E147-A151 PolarHBondContact O-N 3.24Å; E148-A151 PolarHBondContact O-N 2.88Å; L149-A151 PolarHBondContact O-N 3.2Å; A151-V153 PolarHBondContact O-N 3.16Å; A151-E154 PolarHBondContact O-N 3.49Å; A151-E155 PolarHBondContact O-N 2.84Å; A151-E155 VanDerWaalsContact O-N 3.11Å
152V88.6Confident82.9Confident0 Ų066.6 Ų66.60%037%0.373CS..Hα-helixtrans-61.4-44.3178.2171.20000111.2F141 E148 L149 E155 L156 L195 H198 P201F141-V152 HydrophobicContact CE2-CG1 4.1Å; F141-V152 HydrophobicContact CZ-CG1 4.01Å; E148-V152 VanDerWaalsContact O-CG2 3.26Å; E148-V152 WeakPolarHBondContact O-CG2 3.48Å; E148-V152 PolarHBondContact O-N 3.37Å; L149-V152 PolarHBondContact O-N 2.92Å; V152-E155 PolarHBondContact O-N 3.11Å; V152-L156 HydrophobicContact CG1-CD1 3.74Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CB 3.25Å; V152-L156 VanDerWaalsContact O-CG 3.22Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 3.36Å; V152-L195 HydrophobicContact CG1-CD2 3.57Å; V152-H198 HydrophobicContact CG2-CB 4.44Å; V152-P201 HydrophobicContact CG2-CG 4.48Å
153V86.8Confident81.1Confident23 Ų2369.1 Ų69.114%0.13939%0.392CS..Hα-helixtrans-64.7-40.5-179.1167.60000111.8L149 N150 A151 L156 K157L149-V153 HydrophobicContact CD1-CG2 3.95Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CB 3.37Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 2.81Å; N150-V153 PolarHBondContact O-N 3.12Å; A151-V153 PolarHBondContact O-N 3.16Å; V153-L156 PolarHBondContact O-N 3.16Å; V153-K157 HydrophobicContact CG1-CD 4.18Å; V153-K157 VanDerWaalsContact CG1-CE 3.46Å; V153-K157 HydrophobicContact CG1-CG 4.48Å; V153-K157 WeakPolarHBondContact O-CB 3.23Å; V153-K157 VanDerWaalsContact O-CG 3.29Å; V153-K157 WeakPolarHBondContact O-CG 3.43Å; V153-K157 PolarHBondContact O-N 3.31Å
154E87.6Confident79.8Confident113 Ų11369.4 Ų69.453%0.52840%0.395SS..Hα-helixtrans-68.1-39.5177.7-70.7-59.4119.800112.2N150 A151 K157 A158N150-E154 WeakPolarHBondContact O-CG 3.43Å; N150-E154 PolarHBondContact O-N 3.01Å; A151-E154 PolarHBondContact O-N 3.49Å; E154-K157 PolarHBondContact O-N 2.92Å; E154-K157 IonicContact OE1-NZ 2.81Å; E154-K157 PolarHBondContact OE1-NZ 3.42Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.44Å
155E88.1Confident79Confident74 Ų7464 Ų6435%0.34638%0.378SS..Hα-helixtrans-63.1-42.8173.4-74.8-171.8-138.800112.2A151 V152 A158 S159 I194 H198A151-E155 PolarHBondContact O-N 2.84Å; A151-E155 VanDerWaalsContact O-N 3.11Å; V152-E155 PolarHBondContact O-N 3.11Å; E155-A158 PolarHBondContact O-N 2.83Å; E155-S159 PolarHBondContact O-N 3.08Å; E155-I194 HydrophobicContact CB-CG2 3.79Å; E155-H198 IonicContact OE1-CE1 3.27Å; E155-H198 IonicContact OE1-NE2 3.93Å; E155-H198 IonicContact OE2-NE2 3.73Å
156L86.3Confident78.5Confident3 Ų368.5 Ų68.52%0.01640%0.395CS..Hα-helixtrans-62.6-45.5177.3-73.5169.1000111.5V152 V153 A158 S159 D160 L165 L181 I194 L195V152-L156 HydrophobicContact CG1-CD1 3.74Å; V152-L156 HydrophobicContact CG1-CG 4.34Å; V152-L156 WeakPolarHBondContact O-CB 3.25Å; V152-L156 VanDerWaalsContact O-CG 3.22Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 3.36Å; V153-L156 PolarHBondContact O-N 3.16Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 2.72Å; L156-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-OG 3.03Å; L156-D160 PolarHBondContact O-N 2.99Å; L156-L165 HydrophobicContact CB-CD1 4.04Å; L156-L165 VanDerWaalsContact O-CD1 3.32Å; L156-L165 WeakPolarHBondContact O-CD1 3.45Å; L156-L181 HydrophobicContact CD1-CD1 4.46Å; L156-L181 HydrophobicContact CD1-CD2 3.68Å; L156-L181 HydrophobicContact CD2-CD2 4.25Å; L156-I194 HydrophobicContact CD2-CB 4.07Å; L156-I194 HydrophobicContact CD2-CD1 4.07Å; L156-I194 HydrophobicContact CD2-CG2 4.06Å; L156-I194 HydrophobicContact CG-CG2 4.15Å; L156-L195 HydrophobicContact CD1-CD2 4.38Å
157K83.7Confident78.3Confident116 Ų11668.1 Ų68.150%0.50439%0.393SS..Hα-helixtrans-63.4-36.5176.3-73.7174.7-171.2164.40112.9V153 E154 S159 D160V153-K157 HydrophobicContact CG1-CD 4.18Å; V153-K157 VanDerWaalsContact CG1-CE 3.46Å; V153-K157 HydrophobicContact CG1-CG 4.48Å; V153-K157 WeakPolarHBondContact O-CB 3.23Å; V153-K157 VanDerWaalsContact O-CG 3.29Å; V153-K157 WeakPolarHBondContact O-CG 3.43Å; V153-K157 PolarHBondContact O-N 3.31Å; E154-K157 PolarHBondContact O-N 2.92Å; E154-K157 IonicContact OE1-NZ 2.81Å; E154-K157 PolarHBondContact OE1-NZ 3.42Å; K157-S159 PolarHBondContact O-N 2.88Å; K157-D160 PolarHBondContact O-N 3.17Å
158A82.6Confident78Confident91 Ų9165.2 Ų65.275%0.75239%0.388SS*.Hα-helixtrans-68.8-20.4178.200000113.1E154 E155 L156E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.44Å; E155-A158 PolarHBondContact O-N 2.83Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 2.72Å
159S73.6Confident77.6Confident51 Ų5166.5 Ų66.536%0.35741%0.407SS..Hα-helixtrans-93.7-11.5178.374.70000114.6E155 L156 K157 I194E155-S159 PolarHBondContact O-N 3.08Å; L156-S159 PolarHBondContact O-N 2.92Å; L156-S159 PolarHBondContact O-OG 3.03Å; K157-S159 PolarHBondContact O-N 2.88Å; S159-I194 VanDerWaalsContact OG-CD1 3.24Å; S159-I194 WeakPolarHBondContact OG-CD1 3.42Å
160D67.3Low77Confident32 Ų3268.6 Ų68.617%0.17142%0.423CS..SBendtrans-99.7136.6178.6-172.537.1000109.6L156 K157 G162 T163 A164 L165L156-D160 PolarHBondContact O-N 2.99Å; K157-D160 PolarHBondContact O-N 3.17Å; D160-G162 PolarHBondContact O-N 3.26Å; D160-T163 PolarHBondContact OD2-N 3.48Å; D160-A164 PolarHBondContact OD2-N 2.73Å; D160-L165 HydrophobicContact CB-CD1 3.58Å; D160-L165 HydrophobicContact CB-CG 4.07Å
161D61.2Low76.5Confident166 Ų16672.4 Ų72.489%0.88843%0.43SS*.  trans-71.832.5172.4-74.2-30.2000111.6T163D161-T163 PolarHBondContact O-OG1 3.34Å
162G54.8Low75Confident70 Ų7073.4 Ų73.472%0.72243%0.433SS*.SBendtrans80.815.8165.800000117.3D160D160-G162 PolarHBondContact O-N 3.26Å
163T51.9Low73.7Confident123 Ų12379.2 Ų79.276%0.75546%0.464SS*.SBendtrans-135-5.3-169.9-21.10000116.6D160 D161D160-T163 PolarHBondContact OD2-N 3.48Å; D161-T163 PolarHBondContact O-OG1 3.34Å
164A63.9Low72.5Confident9 Ų984.4 Ų84.47%0.07450%0.501CS..SBendtrans-132.39.8-161.900000115.8H135 D160 C183 A187H135-A164 PolarHBondContact CD2-O 3.28Å; H135-A164 PolarHBondContact NE2-O 3.4Å; D160-A164 PolarHBondContact OD2-N 2.73Å; A164-C183 VanDerWaalsContact O-CA 3.24Å; A164-C183 WeakPolarHBondContact O-CA 3.35Å; A164-A187 HydrophobicContact CB-CB 4.48Å
165L70.6Confident71.4Confident44 Ų4483.4 Ų83.423%0.2351%0.507CS..EExtended strand (participates in β ladder)trans-119.6125.2-178.8-64.9174.1000112.7L156 D160 L181 T182 C183L156-L165 HydrophobicContact CB-CD1 4.04Å; L156-L165 VanDerWaalsContact O-CD1 3.32Å; L156-L165 WeakPolarHBondContact O-CD1 3.45Å; D160-L165 HydrophobicContact CB-CD1 3.58Å; D160-L165 HydrophobicContact CB-CG 4.07Å; L165-L181 HydrophobicContact CB-CD1 4.27Å; L165-L181 HydrophobicContact CD2-CD1 4.04Å; L165-L181 HydrophobicContact CD2-CD2 4.25Å; L165-L181 HydrophobicContact CD2-CG 4.25Å; L165-T182 WeakPolarHBondContact CA-O 3.36Å; L165-C183 HydrophobicContact CD2-CB 3.54Å
166Q77.1Confident71Confident130 Ų13080.3 Ų80.361%0.60749%0.494SS*.EExtended strand (participates in β ladder)trans-123.9119.5169-171.8-179.111.500109.9L181 T182Q166-L181 CarbonylContact O-C 3.48Å; Q166-L181 VanDerWaalsContact O-CA 3.32Å; Q166-L181 WeakPolarHBondContact O-CA 3.4Å; Q166-T182 WeakPolarHBondContact CB-OG1 3.39Å; Q166-T182 PolarHBondContact N-O 3.21Å; Q166-T182 PolarHBondContact O-N 2.85Å
167C80.8Confident71Confident53 Ų5380.8 Ų80.836%0.35850%0.497SS..EExtended strand (participates in β ladder)trans-114133.6-177.7-172.20000110.7V179 S180 L181C167-V179 WeakPolarHBondContact SG-CG1 3.16Å; C167-S180 WeakPolarHBondContact CA-O 3.3Å; C167-L181 HydrophobicContact CB-CD1 3.9Å
168S81.1Confident71.3Confident72 Ų7279 Ų7950%0.50349%0.49SS..EExtended strand (participates in β ladder)trans-129.9139.7168.3620000110.3V179 S180S168-V179 WeakPolarHBondContact O-CA 3.23Å; S168-S180 PolarHBondContact N-O 2.57Å; S168-S180 PolarHBondContact O-N 3.23Å
169G78.9Confident71.6Confident49 Ų4974.9 Ų74.951%0.50546%0.456SS..EExtended strand (participates in β ladder)trans-120.3131.5177.600000110.3H178G169-H178 CarbonylContact C-O 3.59Å; G169-H178 WeakPolarHBondContact CA-O 3.21Å
170S75.8Confident72.5Confident72 Ų7273.7 Ų73.750%0.50345%0.447SS..EExtended strand (participates in β ladder)trans-126.2151.8170.869.10000110P172 H178S170-P172 WeakPolarHBondContact O-CD 3.43Å; S170-H178 PolarHBondContact N-O 2.96Å; S170-H178 PolarHBondContact O-N 3.16Å
171R76.2Confident73.5Confident182 Ų18272.3 Ų72.369%0.68744%0.44SS*.  trans-113.394.1179.4-151.2178.9-165.3-1524107.8I177R171-I177 HydrophobicContact CG-CG1 4.35Å
172P58.5Low74.8Confident68 Ų6865.4 Ų65.444%0.44240%0.404SS..  trans-73.9-38.9-174.2-15.631.9000111.1S170 H178S170-P172 WeakPolarHBondContact O-CD 3.43Å; P172-H178 VanDerWaalsContact CD-CD2 3.47Å; P172-H178 WeakPolarHBondContact CD-CD2 3.37Å; P172-H178 HydrophobicContact CG-CB 4.31Å; P172-H178 WeakPolarHBondContact CG-CD2 3.42Å
173D61Low76.4Confident123 Ų12362.1 Ų62.166%0.65837%0.37SS*.SBendtrans-161.8-175.3-179.6-77.4-44.6000111.5S175D173-S175 PolarHBondContact O-N 2.84Å
174S60.7Low78.1Confident132 Ų13257.1 Ų57.192%0.92334%0.34SS*.THydrogen-bonded Turntrans-62.57.7-177.350.10000116.5
175S66.1Low79.1Confident92 Ų9259.7 Ų59.764%0.64336%0.361SS*.THydrogen-bonded Turntrans-98.1-5.7-173.853.90000115.5D173D173-S175 PolarHBondContact O-N 2.84Å
176G79.6Confident79.8Confident8 Ų862.4 Ų62.48%0.08238%0.384CS..  trans143.2-174.8177.800000113.2
177I86.3Confident80.3Confident13 Ų1356.7 Ų56.77%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-105.4122.7172.3-55169.7000107.4M142 V143 P146 L149 R171 V179M142-I177 WeakPolarHBondContact CA-O 3.42Å; V143-I177 HydrophobicContact CG2-CB 3.69Å; V143-I177 HydrophobicContact CG2-CD1 4.32Å; V143-I177 HydrophobicContact CG2-CG1 4.45Å; V143-I177 HydrophobicContact CG2-CG2 4.26Å; V143-I177 PolarHBondContact N-O 3Å; V143-I177 PolarHBondContact O-N 3.01Å; P146-I177 HydrophobicContact CB-CD1 4.41Å; P146-I177 HydrophobicContact CG-CD1 3.93Å; L149-I177 HydrophobicContact CD2-CG2 4.29Å; R171-I177 HydrophobicContact CG-CG1 4.35Å; I177-V179 HydrophobicContact CG2-CG2 4.42Å
178H89Confident80.8Confident79 Ų7955.7 Ų55.737%0.36635%0.349SS..EExtended strand (participates in β ladder)trans-82.7129172.1-76.5-104.8000109.1G169 S170 P172G169-H178 CarbonylContact C-O 3.59Å; G169-H178 WeakPolarHBondContact CA-O 3.21Å; S170-H178 PolarHBondContact N-O 2.96Å; S170-H178 PolarHBondContact O-N 3.16Å; P172-H178 VanDerWaalsContact CD-CD2 3.47Å; P172-H178 WeakPolarHBondContact CD-CD2 3.37Å; P172-H178 HydrophobicContact CG-CB 4.31Å; P172-H178 WeakPolarHBondContact CG-CD2 3.42Å
179V90.3Very high81.2Confident4 Ų456.5 Ų56.52%0.02435%0.352CS..EExtended strand (participates in β ladder)trans-117129.6-176.9-170.20000108.6E140 F141 V143 L149 C167 S168 I177E140-V179 WeakPolarHBondContact CA-O 3.29Å; F141-V179 HydrophobicContact CD1-CB 4.35Å; F141-V179 HydrophobicContact CD2-CB 3.97Å; F141-V179 HydrophobicContact CD2-CG2 4.17Å; F141-V179 HydrophobicContact CE1-CB 4.05Å; F141-V179 HydrophobicContact CE1-CG1 3.84Å; F141-V179 HydrophobicContact CE2-CB 3.65Å; F141-V179 HydrophobicContact CE2-CG1 3.86Å; F141-V179 HydrophobicContact CE2-CG2 3.79Å; F141-V179 HydrophobicContact CG-CB 4.33Å; F141-V179 HydrophobicContact CZ-CB 3.69Å; F141-V179 HydrophobicContact CZ-CG1 3.42Å; F141-V179 VanDerWaalsContact CZ-CG1 3.42Å; F141-V179 HydrophobicContact CZ-CG2 4.25Å; F141-V179 PolarHBondContact N-O 2.8Å; F141-V179 PolarHBondContact O-N 3.11Å; V143-V179 HydrophobicContact CG1-CG2 4.24Å; V143-V179 HydrophobicContact CG2-CG2 3.81Å; L149-V179 HydrophobicContact CD1-CB 4.45Å; L149-V179 HydrophobicContact CD1-CG1 3.98Å; L149-V179 HydrophobicContact CD1-CG2 3.55Å; C167-V179 WeakPolarHBondContact SG-CG1 3.16Å; S168-V179 WeakPolarHBondContact O-CA 3.23Å; I177-V179 HydrophobicContact CG2-CG2 4.42Å
180S90.6Very high81.8Confident26 Ų2656.4 Ų56.418%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-115.3117.1171.5165.80000108.5K138 C167 S168K138-S180 WeakPolarHBondContact CE-OG 3.5Å; C167-S180 WeakPolarHBondContact CA-O 3.3Å; S168-S180 PolarHBondContact N-O 2.57Å; S168-S180 PolarHBondContact O-N 3.23Å
181L89.3Confident82.5Confident3 Ų353 Ų532%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-115.2126.7178178.473.5000109.3K138 L139 F141 L156 L165 Q166 C167K138-L181 CarbonylContact C-O 3.54Å; K138-L181 VanDerWaalsContact CA-O 3.28Å; K138-L181 WeakPolarHBondContact CA-O 3.37Å; L139-L181 HydrophobicContact CB-CB 4.28Å; L139-L181 HydrophobicContact CD1-CD2 4.26Å; L139-L181 PolarHBondContact N-O 2.82Å; L139-L181 PolarHBondContact O-N 2.94Å; F141-L181 HydrophobicContact CE1-CB 4.23Å; L156-L181 HydrophobicContact CD1-CD1 4.46Å; L156-L181 HydrophobicContact CD1-CD2 3.68Å; L156-L181 HydrophobicContact CD2-CD2 4.25Å; L165-L181 HydrophobicContact CB-CD1 4.27Å; L165-L181 HydrophobicContact CD2-CD1 4.04Å; L165-L181 HydrophobicContact CD2-CD2 4.25Å; L165-L181 HydrophobicContact CD2-CG 4.25Å; Q166-L181 CarbonylContact O-C 3.48Å; Q166-L181 VanDerWaalsContact O-CA 3.32Å; Q166-L181 WeakPolarHBondContact O-CA 3.4Å; C167-L181 HydrophobicContact CB-CD1 3.9Å
182T89.1Confident83.2Confident22 Ų2245.7 Ų45.714%0.13529%0.294CS..EExtended strand (participates in β ladder)trans-102.7141.1169.3600000110.4H137 K138 L165 Q166 L210H137-T182 CarbonylContact O-C 3.59Å; H137-T182 VanDerWaalsContact O-CA 3.27Å; H137-T182 WeakPolarHBondContact O-CA 3.44Å; K138-T182 HydrophobicContact CB-CG2 4.28Å; K138-T182 HydrophobicContact CG-CG2 4.25Å; L165-T182 WeakPolarHBondContact CA-O 3.36Å; Q166-T182 WeakPolarHBondContact CB-OG1 3.39Å; Q166-T182 PolarHBondContact N-O 3.21Å; Q166-T182 PolarHBondContact O-N 2.85Å; T182-L210 HydrophobicContact CG2-CD1 4.08Å
183C87.5Confident84.7Confident0 Ų048.2 Ų48.20%030%0.3CS..EExtended strand (participates in β ladder)trans-141.8157.6-179.175.20000114.1H135 S136 H137 L139 A164 L165 A187H135-C183 CarbonylContact C-O 3.58Å; H135-C183 WeakPolarHBondContact CA-O 3.48Å; S136-C183 PolarHBondContact N-O 3.25Å; H137-C183 PolarHBondContact N-O 3.28Å; H137-C183 PolarHBondContact O-N 3.06Å; L139-C183 HydrophobicContact CD1-CB 4.28Å; L139-C183 WeakPolarHBondContact CD1-SG 3.2Å; A164-C183 VanDerWaalsContact O-CA 3.24Å; A164-C183 WeakPolarHBondContact O-CA 3.35Å; L165-C183 HydrophobicContact CD2-CB 3.54Å; C183-A187 HydrophobicContact CB-CB 4.04Å
184S87.1Confident86.1Confident19 Ų1943 Ų4313%0.13327%0.272CS..  trans-69.6168.916971.30000111.5S134 S186 A187 L188S134-S184 WeakPolarHBondContact O-CB 3.36Å; S184-S186 VanDerWaalsContact C-N 3.3Å; S184-S186 PolarHBondContact O-N 3Å; S184-S186 PolarHBondContact OG-OG 3Å; S184-S186 VanDerWaalsContact OG-OG 3.06Å; S184-A187 PolarHBondContact O-N 2.54Å; S184-A187 WeakPolarHBondContact OG-CB 3.24Å; S184-A187 PolarHBondContact OG-N 3.13Å; S184-L188 PolarHBondContact O-N 3.2Å
185A85.9Confident87.5Confident63 Ų6336.7 Ų36.752%0.52123%0.228SC..Hα-helixtrans-67.1-33.6-179.700000112.1S136S136-A185 WeakPolarHBondContact OG-CA 3.46Å; S136-A185 PolarHBondContact OG-N 3.31Å
186S85.8Confident88.7Confident101 Ų10136.8 Ų36.871%0.70622%0.221SC*.Hα-helixtrans-70.8-35.4176.750.40000112.5S184 L188 P190S184-S186 VanDerWaalsContact C-N 3.3Å; S184-S186 PolarHBondContact O-N 3Å; S184-S186 PolarHBondContact OG-OG 3Å; S184-S186 VanDerWaalsContact OG-OG 3.06Å; S186-L188 VanDerWaalsContact C-N 3.32Å; S186-P190 WeakPolarHBondContact O-CD 3.3Å
187A87.8Confident89.3Confident9 Ų943.5 Ų43.57%0.07425%0.247CC..Hα-helixtrans-78.3-13.3179.400000113.8A164 C183 S184 P190 S191A164-A187 HydrophobicContact CB-CB 4.48Å; C183-A187 HydrophobicContact CB-CB 4.04Å; S184-A187 PolarHBondContact O-N 2.54Å; S184-A187 WeakPolarHBondContact OG-CB 3.24Å; S184-A187 PolarHBondContact OG-N 3.13Å; A187-P190 WeakPolarHBondContact O-CD 3.5Å; A187-S191 VanDerWaalsContact O-CB 3.23Å; A187-S191 WeakPolarHBondContact O-CB 3.41Å; A187-S191 PolarHBondContact O-N 3.45Å; A187-S191 PolarHBondContact O-OG 3.3Å
188L89.5Confident89.3Confident32 Ų3244.3 Ų44.317%0.16825%0.251CS..Hα-helixtrans-58.8-55.4-176.7177.764.8000112.7H137 L139 S184 S186 S191 V192 I207H137-L188 HydrophobicContact CB-CD1 4Å; L139-L188 HydrophobicContact CD1-CD1 4.26Å; L139-L188 HydrophobicContact CD2-CD1 4.44Å; L139-L188 HydrophobicContact CG-CD1 4.47Å; S184-L188 PolarHBondContact O-N 3.2Å; S186-L188 VanDerWaalsContact C-N 3.32Å; L188-S191 PolarHBondContact O-N 2.86Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; L188-V192 HydrophobicContact CG-CG2 4.44Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 3.39Å; L188-I207 HydrophobicContact CD1-CG2 4.01Å
189T90.4Very high89Confident90 Ų9043.4 Ų43.455%0.55225%0.253SS*.Hα-helixtrans-62.9-48-175.4-57.30000112.3S191 V192 Q193T189-S191 VanDerWaalsContact C-N 3.33Å; T189-S191 PolarHBondContact O-N 2.99Å; T189-V192 PolarHBondContact O-N 3.42Å; T189-Q193 WeakPolarHBondContact O-CG 3.38Å; T189-Q193 PolarHBondContact O-N 3.46Å; T189-Q193 VanDerWaalsContact O-N 3.08Å
190P91Very high88.6Confident47 Ų4744 Ų4431%0.30526%0.258SS..Hα-helixtrans-57-43.8172.9-24.733.7000113.1S186 A187 V192 Q193 I194S186-P190 WeakPolarHBondContact O-CD 3.3Å; A187-P190 WeakPolarHBondContact O-CD 3.5Å; P190-V192 PolarHBondContact O-N 3.07Å; P190-Q193 PolarHBondContact O-N 2.99Å; P190-I194 WeakPolarHBondContact O-CG1 2.92Å; P190-I194 PolarHBondContact O-N 2.93Å; P190-I194 VanDerWaalsContact O-N 3.11Å
191S90.1Very high88.1Confident1 Ų142.7 Ų42.71%0.00725%0.25CC..Hα-helixtrans-62.6-45.5-179.6-60.80000112.2A187 L188 T189 Q193 I194 L195A187-S191 VanDerWaalsContact O-CB 3.23Å; A187-S191 WeakPolarHBondContact O-CB 3.41Å; A187-S191 PolarHBondContact O-N 3.45Å; A187-S191 PolarHBondContact O-OG 3.3Å; L188-S191 PolarHBondContact O-N 2.86Å; T189-S191 VanDerWaalsContact C-N 3.33Å; T189-S191 PolarHBondContact O-N 2.99Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 2.92Å; S191-I194 PolarHBondContact O-N 3.45Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 3.4Å
192V91.1Very high87.8Confident28 Ų2845.2 Ų45.217%0.1727%0.267CS..Hα-helixtrans-62.4-42.9177.6172.40000110.8L139 L188 T189 P190 I194 L195 L196 L205 I207L139-V192 HydrophobicContact CD2-CG2 3.82Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; L188-V192 HydrophobicContact CG-CG2 4.44Å; L188-V192 WeakPolarHBondContact O-CG2 3.45Å; L188-V192 PolarHBondContact O-N 3.39Å; T189-V192 PolarHBondContact O-N 3.42Å; P190-V192 PolarHBondContact O-N 3.07Å; V192-I194 VanDerWaalsContact C-N 3.29Å; V192-I194 PolarHBondContact O-N 3.16Å; V192-L195 PolarHBondContact O-N 2.84Å; V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.23Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 2.94Å; V192-L205 HydrophobicContact CG1-CD2 4.19Å; V192-I207 HydrophobicContact CG2-CD1 3.61Å
193Q91.2Very high87.7Confident121 Ų12152.3 Ų52.357%0.56530%0.298SS*.Hα-helixtrans-60.8-37.7178.6-75.2178.1-13.400112.8T189 P190 S191T189-Q193 WeakPolarHBondContact O-CG 3.38Å; T189-Q193 PolarHBondContact O-N 3.46Å; T189-Q193 VanDerWaalsContact O-N 3.08Å; P190-Q193 PolarHBondContact O-N 2.99Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 2.92Å
194I90.3Very high87.7Confident13 Ų1353.7 Ų53.77%0.06731%0.308CS..Hα-helixtrans-65.9-50.4175-69.3163.9000109.9E155 L156 S159 P190 S191 V192 L196 K197 H198E155-I194 HydrophobicContact CB-CG2 3.79Å; L156-I194 HydrophobicContact CD2-CB 4.07Å; L156-I194 HydrophobicContact CD2-CD1 4.07Å; L156-I194 HydrophobicContact CD2-CG2 4.06Å; L156-I194 HydrophobicContact CG-CG2 4.15Å; S159-I194 VanDerWaalsContact OG-CD1 3.24Å; S159-I194 WeakPolarHBondContact OG-CD1 3.42Å; P190-I194 WeakPolarHBondContact O-CG1 2.92Å; P190-I194 PolarHBondContact O-N 2.93Å; P190-I194 VanDerWaalsContact O-N 3.11Å; S191-I194 PolarHBondContact O-N 3.45Å; V192-I194 VanDerWaalsContact C-N 3.29Å; V192-I194 PolarHBondContact O-N 3.16Å; I194-L196 VanDerWaalsContact C-N 3.25Å; I194-L196 PolarHBondContact O-N 3.05Å; I194-K197 VanDerWaalsContact O-CB 3.31Å; I194-K197 WeakPolarHBondContact O-CB 3.45Å; I194-K197 PolarHBondContact O-N 3.21Å; I194-H198 PolarHBondContact O-CD2 3.48Å; I194-H198 VanDerWaalsContact O-CD2 3.32Å
195L90.6Very high88Confident0 Ų054.9 Ų54.90%031%0.312CS..Hα-helixtrans-59.8-34.5-178.6-66174.3000113L139 F141 V152 L156 S191 V192 K197 H198 P201 L205L139-L195 HydrophobicContact CB-CD1 4.29Å; L139-L195 HydrophobicContact CD2-CD1 3.55Å; F141-L195 HydrophobicContact CD1-CD1 3.79Å; F141-L195 HydrophobicContact CD1-CD2 3.96Å; F141-L195 HydrophobicContact CD2-CD2 4.14Å; F141-L195 HydrophobicContact CE1-CD1 3.81Å; F141-L195 HydrophobicContact CE1-CD2 3.57Å; F141-L195 HydrophobicContact CE1-CG 4.37Å; F141-L195 HydrophobicContact CE2-CD2 3.76Å; F141-L195 HydrophobicContact CG-CD2 4.22Å; F141-L195 HydrophobicContact CZ-CD2 3.45Å; F141-L195 VanDerWaalsContact CZ-CD2 3.45Å; V152-L195 HydrophobicContact CG1-CD2 3.57Å; L156-L195 HydrophobicContact CD1-CD2 4.38Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 3.4Å; V192-L195 PolarHBondContact O-N 2.84Å; L195-K197 PolarHBondContact O-N 3.32Å; L195-H198 PolarHBondContact O-N 3.02Å; L195-H198 VanDerWaalsContact O-N 3.16Å; L195-P201 HydrophobicContact CB-CB 4.37Å; L195-P201 HydrophobicContact CD2-CB 4.14Å; L195-L205 HydrophobicContact CB-CD2 4.42Å; L195-L205 HydrophobicContact CD1-CD1 3.75Å; L195-L205 HydrophobicContact CD1-CD2 4.45Å
196L91.2Very high88.3Confident94 Ų9454.2 Ų54.249%0.49230%0.304SS..THydrogen-bonded Turntrans-66.4-18176.4-69.7174.7000113.9V192 I194 H198 C202V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.23Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 2.94Å; I194-L196 VanDerWaalsContact C-N 3.25Å; I194-L196 PolarHBondContact O-N 3.05Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-C202 HydrophobicContact CD2-CB 4.38Å; L196-C202 VanDerWaalsContact CD2-SG 3.56Å
197K90.4Very high88.7Confident149 Ų14953.2 Ų53.265%0.64829%0.29SS*.THydrogen-bonded Turntrans-74.9-18.7174.4-61.3174.3-172.2171.70112.8I194 L195I194-K197 VanDerWaalsContact O-CB 3.31Å; I194-K197 WeakPolarHBondContact O-CB 3.45Å; I194-K197 PolarHBondContact O-N 3.21Å; L195-K197 PolarHBondContact O-N 3.32Å
198H87.6Confident88.9Confident30 Ų3056.3 Ų56.314%0.13931%0.305CS..SBendtrans-104.4129.2-177.8-59.4-92.8000110.4V152 E155 I194 L195 L196 A200 P201 C202V152-H198 HydrophobicContact CG2-CB 4.44Å; E155-H198 IonicContact OE1-CE1 3.27Å; E155-H198 IonicContact OE1-NE2 3.93Å; E155-H198 IonicContact OE2-NE2 3.73Å; I194-H198 PolarHBondContact O-CD2 3.48Å; I194-H198 VanDerWaalsContact O-CD2 3.32Å; L195-H198 PolarHBondContact O-N 3.02Å; L195-H198 VanDerWaalsContact O-N 3.16Å; L196-H198 VanDerWaalsContact C-N 3.28Å; H198-A200 PolarHBondContact O-N 3.46Å; H198-P201 HydrophobicContact CB-CB 4.25Å; H198-P201 HydrophobicContact CB-CG 3.68Å; H198-C202 WeakPolarHBondContact O-CB 3.5Å; H198-C202 PolarHBondContact O-N 2.8Å
199S82.7Confident88.8Confident60 Ų6063.1 Ų63.142%0.4233%0.333SS..Hα-helixtrans-63.8-44.2-170.956.30000113.9R144 Q203R144-S199 PolarHBondContact NH2-OG 3.06Å; S199-Q203 VanDerWaalsContact O-CG 3.29Å; S199-Q203 WeakPolarHBondContact O-CG 3.14Å; S199-Q203 PolarHBondContact O-N 2.7Å
200A80.9Confident88.6Confident15 Ų1561.6 Ų61.612%0.12432%0.321CS..Hα-helixtrans-71.5-46.9-179.400000113M142 R144 H198 C202 Q203 S204M142-A200 CarbonylContact O-C 3.46Å; M142-A200 VanDerWaalsContact O-C 3.29Å; R144-A200 HydrophobicContact CG-CB 3.78Å; H198-A200 PolarHBondContact O-N 3.46Å; A200-C202 PolarHBondContact O-N 2.99Å; A200-Q203 PolarHBondContact O-N 2.73Å; A200-S204 PolarHBondContact O-N 2.89Å; A200-S204 PolarHBondContact O-OG 3.26Å
201P80Confident88.1Confident0 Ų068.3 Ų68.30%035%0.349CS..Hα-helixtrans-58.3-44.5172-29.737.1000113.4F141 M142 V143 V152 L195 H198 Q203 S204 L205F141-P201 HydrophobicContact CB-CB 4.2Å; F141-P201 HydrophobicContact CD2-CB 3.66Å; F141-P201 HydrophobicContact CD2-CG 3.8Å; F141-P201 HydrophobicContact CE2-CB 4.32Å; F141-P201 HydrophobicContact CE2-CG 4.2Å; F141-P201 HydrophobicContact CG-CB 4.12Å; M142-P201 WeakPolarHBondContact O-CD 3.36Å; V143-P201 HydrophobicContact CG1-CG 3.84Å; V152-P201 HydrophobicContact CG2-CG 4.48Å; L195-P201 HydrophobicContact CB-CB 4.37Å; L195-P201 HydrophobicContact CD2-CB 4.14Å; H198-P201 HydrophobicContact CB-CB 4.25Å; H198-P201 HydrophobicContact CB-CG 3.68Å; P201-Q203 VanDerWaalsContact C-N 3.26Å; P201-Q203 PolarHBondContact O-N 2.96Å; P201-S204 PolarHBondContact O-N 3.26Å; P201-S204 VanDerWaalsContact O-N 3.14Å; P201-S204 PolarHBondContact O-OG 2.75Å; P201-L205 WeakPolarHBondContact O-CB 3.34Å; P201-L205 PolarHBondContact O-N 3.3Å
202C83.3Confident87.7Confident55 Ų5574 Ų7437%0.37237%0.373SS..Hα-helixtrans-58.2-36.5179.9-178.40000113L196 H198 A200 S204L196-C202 HydrophobicContact CD2-CB 4.38Å; L196-C202 VanDerWaalsContact CD2-SG 3.56Å; H198-C202 WeakPolarHBondContact O-CB 3.5Å; H198-C202 PolarHBondContact O-N 2.8Å; A200-C202 PolarHBondContact O-N 2.99Å; C202-S204 VanDerWaalsContact C-N 3.34Å
203Q87.1Confident87.4Confident172 Ų17276 Ų7680%0.80439%0.393SS*.Hα-helixtrans-80.1-16-178.1-72.7175.7-3.400113.7S199 A200 P201S199-Q203 VanDerWaalsContact O-CG 3.29Å; S199-Q203 WeakPolarHBondContact O-CG 3.14Å; S199-Q203 PolarHBondContact O-N 2.7Å; A200-Q203 PolarHBondContact O-N 2.73Å; P201-Q203 VanDerWaalsContact C-N 3.26Å; P201-Q203 PolarHBondContact O-N 2.96Å
204S88.7Confident87.2Confident29 Ų2973.8 Ų73.820%0.20339%0.389CS..Hα-helixtrans-123.54.9-171.957.20000113.7M142 A200 P201 C202 S206M142-S204 WeakPolarHBondContact CB-OG 3.49Å; M142-S204 PolarHBondContact N-OG 3.18Å; A200-S204 PolarHBondContact O-N 2.89Å; A200-S204 PolarHBondContact O-OG 3.26Å; P201-S204 PolarHBondContact O-N 3.26Å; P201-S204 VanDerWaalsContact O-N 3.14Å; P201-S204 PolarHBondContact O-OG 2.75Å; C202-S204 VanDerWaalsContact C-N 3.34Å; S204-S206 PolarHBondContact O-N 2.86Å
205L92.6Very high87.3Confident43 Ų4375.9 Ų75.923%0.22540%0.4CS..  trans-68118.8-175.9-178.559.9000111.7L139 E140 F141 V192 L195 P201 I207L139-L205 HydrophobicContact CB-CD1 4.05Å; L139-L205 HydrophobicContact CD2-CD1 4.3Å; E140-L205 CarbonylContact O-C 3.29Å; E140-L205 WeakPolarHBondContact O-CA 3.42Å; F141-L205 HydrophobicContact CB-CD1 4.3Å; F141-L205 HydrophobicContact CD1-CD1 4.43Å; V192-L205 HydrophobicContact CG1-CD2 4.19Å; L195-L205 HydrophobicContact CB-CD2 4.42Å; L195-L205 HydrophobicContact CD1-CD1 3.75Å; L195-L205 HydrophobicContact CD1-CD2 4.45Å; P201-L205 WeakPolarHBondContact O-CB 3.34Å; P201-L205 PolarHBondContact O-N 3.3Å; L205-I207 HydrophobicContact CD1-CG1 4.31Å; L205-I207 HydrophobicContact CD2-CD1 4.34Å; L205-I207 HydrophobicContact CD2-CG1 4.41Å; L205-I207 HydrophobicContact CG-CG1 4.14Å
206S93.2Very high87.4Confident50 Ų5080.9 Ų80.935%0.3543%0.432SS..EExtended strand (participates in β ladder)trans-113.6135.2166.6179.90000109.3L139 E140 S204L139-S206 CarbonylContact C-O 3.55Å; L139-S206 WeakPolarHBondContact CA-O 3.28Å; E140-S206 PolarHBondContact N-O 2.77Å; E140-S206 PolarHBondContact O-N 3.39Å; S204-S206 PolarHBondContact O-N 2.86Å
207I93.6Very high87.5Confident80 Ų8077.8 Ų77.841%0.4142%0.423SS..EExtended strand (participates in β ladder)trans-117.1119.4179.1-55.4172.5000108L188 V192 L205L188-I207 HydrophobicContact CD1-CG2 4.01Å; V192-I207 HydrophobicContact CG2-CD1 3.61Å; L205-I207 HydrophobicContact CD1-CG1 4.31Å; L205-I207 HydrophobicContact CD2-CD1 4.34Å; L205-I207 HydrophobicContact CD2-CG1 4.41Å; L205-I207 HydrophobicContact CG-CG1 4.14Å
208L91.3Very high87.8Confident73 Ų7372.6 Ų72.638%0.38240%0.401SS..EExtended strand (participates in β ladder)trans-114.3129.1179.5-61.2169.8000109.1H137 K138H137-L208 CarbonylContact C-O 3.45Å; H137-L208 WeakPolarHBondContact CA-O 3.45Å; K138-L208 HydrophobicContact CB-CB 4.33Å; K138-L208 HydrophobicContact CD-CD1 4.43Å; K138-L208 PolarHBondContact N-O 3.01Å; K138-L208 PolarHBondContact O-N 3.41Å
209K88.8Confident88.2Confident175 Ų17571.2 Ų71.276%0.76140%0.395SS*.EExtended strand (participates in β ladder)trans-77.7125.2168.8-172176.4-178.5-179.90108.4
210L85.7Confident88.8Confident58 Ų5870.1 Ų70.130%0.30438%0.383SS..PPolyproline II helixtrans-81132.5177.5-65177.2000109.8H135 S136 K138 T182H135-L210 HydrophobicContact CB-CD1 4.47Å; S136-L210 PolarHBondContact O-N 3.18Å; K138-L210 HydrophobicContact CB-CD1 4.28Å; K138-L210 HydrophobicContact CB-CD2 3.84Å; K138-L210 HydrophobicContact CB-CG 4.07Å; K138-L210 HydrophobicContact CD-CD2 4.48Å; T182-L210 HydrophobicContact CG2-CD1 4.08Å
211E80Confident89.6Confident188 Ų18870.2 Ų70.288%0.87939%0.385SS*.PPolyproline II helixtrans-74.8140.3169.5-66.1-170.8166.200109.8
212K81.8Confident90.4Very high122 Ų12271.5 Ų71.553%0.5339%0.39SS..PPolyproline II helixtrans-72133.6175.2-66.8173.8173.7-1730108H130 G131 A133H130-K212 HydrophobicContact CB-CB 3.55Å; H130-K212 HydrophobicContact CB-CD 4.32Å; H130-K212 PolarHBondContact CD2-O 3.08Å; H130-K212 VanDerWaalsContact CD2-O 3.25Å; G131-K212 WeakPolarHBondContact O-CD 3.32Å; G131-K212 WeakPolarHBondContact O-CG 3.41Å; A133-K212 HydrophobicContact CB-CG 4.23Å
213A83.8Confident91Very high69 Ų6973.2 Ų73.257%0.5740%0.395SS*.PPolyproline II helixtrans-63.6138.8175.900000110.4H130 G131H130-A213 CarbonylContact C-O 3.28Å; H130-A213 WeakPolarHBondContact CA-O 3.46Å; G131-A213 PolarHBondContact N-O 3.17Å
214P88.6Confident91.4Very high75 Ų7566.3 Ų66.349%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-63.2143.7173.327.7-34.1000109.7Q128 P216Q128-P214 HydrophobicContact CG-CB 3.71Å; P214-P216 WeakPolarHBondContact O-CD 3.3Å
215L91.8Very high91.8Very high57 Ų5769.3 Ų69.330%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-98.1102.9174.3-71.5175.6000109.8L18 Q128 A129 G217 H218L18-L215 HydrophobicContact CD2-CD1 3.51Å; Q128-L215 PolarHBondContact NE2-O 3.43Å; A129-L215 PolarHBondContact O-N 3.4Å; L215-G217 PolarHBondContact O-N 3.28Å; L215-H218 HydrophobicContact CB-CB 3.85Å; L215-H218 WeakPolarHBondContact O-CB 3.47Å; L215-H218 PolarHBondContact O-N 3.26Å
216P91.9Very high92Very high104 Ų10469.5 Ų69.568%0.67538%0.384SS*.EExtended strand (participates in β ladder)trans-55.3130.5-173.3-26.636000112.5P214 H218P214-P216 WeakPolarHBondContact O-CD 3.3Å; P216-H218 PolarHBondContact O-N 2.74Å; P216-H218 PolarHBondContact O-ND1 2.76Å
217G93.8Very high92.2Very high30 Ų3071.6 Ų71.631%0.30939%0.391SS..EExtended strand (participates in β ladder)trans74.1-0.7-179.600000115.5K107 L215K107-G217 WeakPolarHBondContact CB-O 3.34Å; L215-G217 PolarHBondContact O-N 3.28Å
218H96.2Very high92.2Very high40 Ų4074.6 Ų74.619%0.18540%0.403CS..EExtended strand (participates in β ladder)trans-103.4139.2174.1-61.370.8000110.3S105 Q128 A129 L215 P216S105-H218 CarbonylContact O-C 3.57Å; S105-H218 WeakPolarHBondContact O-CA 3.47Å; S105-H218 WeakPolarHBondContact O-CB 3.27Å; Q128-H218 PolarHBondContact NE2-O 3.05Å; A129-H218 HydrophobicContact CB-CB 4.03Å; A129-H218 WeakPolarHBondContact CB-O 3.48Å; A129-H218 PolarHBondContact N-O 3.09Å; L215-H218 HydrophobicContact CB-CB 3.85Å; L215-H218 WeakPolarHBondContact O-CB 3.47Å; L215-H218 PolarHBondContact O-N 3.26Å; P216-H218 PolarHBondContact O-N 2.74Å; P216-H218 PolarHBondContact O-ND1 2.76Å
219G96Very high92.4Very high1 Ų176.7 Ų76.71%0.0142%0.422CS..EExtended strand (participates in β ladder)trans149.8163.3-172.900000113.8S105 S127 R222S105-G219 WeakPolarHBondContact CA-O 3.35Å; S105-G219 PolarHBondContact O-N 2.92Å; S127-G219 CarbonylContact O-C 3.45Å; S127-G219 VanDerWaalsContact O-C 3.28Å; S127-G219 WeakPolarHBondContact O-CA 3.5Å; G219-R222 PolarHBondContact O-NH1 3.42Å
220Q96.3Very high92.6Very high37 Ų3771 Ų7117%0.17340%0.401CS..EExtended strand (participates in β ladder)trans-73.4139.6179.1-65.5-63.2-34.600111.4E20 T101 S105 L126 S127E20-Q220 HydrophobicContact CG-CG 4.28Å; E20-Q220 WeakPolarHBondContact OE1-CG 3.27Å; T101-Q220 PolarHBondContact O-NE2 2.96Å; S105-Q220 PolarHBondContact OG-NE2 3.41Å; L126-Q220 WeakPolarHBondContact CB-O 3.27Å; L126-Q220 PolarHBondContact N-O 2.95Å; S127-Q220 PolarHBondContact N-O 3.27Å; S127-Q220 PolarHBondContact O-N 2.84Å
221G96.9Very high92.9Very high16 Ų1672.3 Ų72.317%0.16541%0.412CS..EExtended strand (participates in β ladder)trans64.2169.2175.200000114.5L126L126-G221 PolarHBondContact N-O 2.9Å
222R97.6Very high93.4Very high27 Ų2767.3 Ų67.310%0.10239%0.394CS..EExtended strand (participates in β ladder)trans-134.1139.2176.5-65.8-62.3179.7-85.3-3.5111.1M106 N111 D112 V115 V123 S124 G219M106-R222 PolarHBondContact O-NH2 3.12Å; N111-R222 HydrophobicContact CB-CG 3.7Å; D112-R222 WeakPolarHBondContact OD1-CD 3.38Å; D112-R222 IonicContact OD1-CZ 3.83Å; D112-R222 IonicContact OD1-NE 2.94Å; D112-R222 PolarHBondContact OD1-NE 2.85Å; D112-R222 IonicContact OD1-NH2 2.72Å; D112-R222 IonicContact OD2-CZ 2.74Å; D112-R222 IonicContact OD2-NE 3.4Å; D112-R222 PolarHBondContact OD2-NE 3.5Å; D112-R222 IonicContact OD2-NH2 2.76Å; D112-R222 PolarHBondContact OD2-NH2 2.91Å; V115-R222 HydrophobicContact CB-CB 4.22Å; V115-R222 HydrophobicContact CG1-CB 4.09Å; V115-R222 HydrophobicContact CG1-CG 4.34Å; V115-R222 HydrophobicContact CG2-CB 4.49Å; V123-R222 HydrophobicContact CG1-CB 4.03Å; V123-R222 HydrophobicContact CG1-CG 4.03Å; S124-R222 CarbonylContact O-C 3.55Å; S124-R222 WeakPolarHBondContact O-CA 3.43Å; G219-R222 PolarHBondContact O-NH1 3.42Å
223L96.5Very high94Very high91 Ų9164.6 Ų64.648%0.47639%0.394SS..EExtended strand (participates in β ladder)trans-105.2123.9164.1178.262.4000107.3V123 S124 L126V123-L223 WeakPolarHBondContact CA-O 3.33Å; S124-L223 PolarHBondContact N-O 2.79Å; S124-L223 PolarHBondContact O-N 3.48Å; L126-L223 HydrophobicContact CD2-CB 3.81Å; L126-L223 HydrophobicContact CG-CB 4.39Å
224S95.6Very high94.5Very high27 Ų2764.3 Ų64.319%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-116.1126.3174.4-178.30000111Q122Q122-S224 WeakPolarHBondContact O-CA 3.38Å
225V96.9Very high94.8Very high93 Ų9361.9 Ų61.956%0.56437%0.372SS*.EExtended strand (participates in β ladder)trans-102.7105.2169.7-177.80000107G121 Q122G121-V225 CarbonylContact C-O 3.54Å; G121-V225 WeakPolarHBondContact CA-O 3.3Å; Q122-V225 PolarHBondContact N-O 2.84Å; Q122-V225 PolarHBondContact O-N 3.4Å
226L96.8Very high94.9Very high46 Ų4660.6 Ų60.624%0.24137%0.365CS..EExtended strand (participates in β ladder)trans-65.9144.4-176.7-58.2177.5000111.5L118 S120 Q228 V230L118-L226 HydrophobicContact CB-CD2 3.98Å; S120-L226 WeakPolarHBondContact O-CA 3.12Å; L226-Q228 WeakPolarHBondContact CB-O 3.26Å; L226-Q228 PolarHBondContact O-N 3.19Å; L226-V230 HydrophobicContact CD1-CG1 4.22Å; L226-V230 HydrophobicContact CD1-CG2 3.59Å
227D96.3Very high95.1Very high95 Ų9561.5 Ų61.551%0.50836%0.36SS..SBendtrans-61.8-30.6178.2-64.6-37.3000112.2S120 G121S120-D227 WeakPolarHBondContact CB-OD2 3.02Å; S120-D227 PolarHBondContact O-N 3.06Å; S120-D227 PolarHBondContact OG-OD2 3.2Å; G121-D227 PolarHBondContact N-OD2 3.08Å
228Q94.6Very high95.2Very high142 Ų14263.7 Ų63.766%0.66436%0.361SS*.SBendtrans-132.5139.6177.2-63.7-60.6-44.400109.9L226L226-Q228 WeakPolarHBondContact CB-O 3.26Å; L226-Q228 PolarHBondContact O-N 3.19Å
229P94.1Very high95.2Very high118 Ų11863.3 Ų63.377%0.76636%0.36SS*.  trans-63.2142.6176.327.5-33.9000110.6
230V93.4Very high95.3Very high55 Ų5565.7 Ų65.733%0.33337%0.37SS..  trans-125.1150.6173.8-59.50000109.8L226 T234 A235L226-V230 HydrophobicContact CD1-CG1 4.22Å; L226-V230 HydrophobicContact CD1-CG2 3.59Å; V230-T234 HydrophobicContact CB-CG2 4.28Å; V230-T234 HydrophobicContact CG1-CG2 4.48Å; V230-A235 HydrophobicContact CG2-CB 4.13Å
231T92.6Very high95.3Very high86 Ų8668.7 Ų68.753%0.52840%0.395SS..  trans-69.9155.7170.769.40000110.1A233 T234 A235T231-A233 PolarHBondContact O-N 3.07Å; T231-T234 PolarHBondContact O-N 3.3Å; T231-T234 VanDerWaalsContact O-N 3.13Å; T231-T234 PolarHBondContact OG1-N 3.2Å; T231-T234 VanDerWaalsContact OG1-N 3.12Å; T231-T234 PolarHBondContact OG1-OG1 2.88Å; T231-T234 VanDerWaalsContact OG1-OG1 3.05Å; T231-A235 PolarHBondContact O-N 3.03Å
232V90.9Very high95.3Very high83 Ų8370.8 Ų70.850%0.50340%0.4SS..Hα-helixtrans-57.2-39.8173.7173.90000110.7T234 A235 I236V232-T234 PolarHBondContact O-N 3.43Å; V232-A235 PolarHBondContact O-N 3.25Å; V232-I236 HydrophobicContact CG1-CD1 3.84Å; V232-I236 HydrophobicContact CG1-CG1 4.43Å; V232-I236 VanDerWaalsContact O-CD1 3.24Å; V232-I236 WeakPolarHBondContact O-CD1 3.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.26Å; V232-I236 PolarHBondContact O-N 2.96Å
233A92.6Very high95.2Very high65 Ų6572 Ų7254%0.53741%0.409SS..Hα-helixtrans-56.9-47.6174.900000112.3T231 I236 Q237T231-A233 PolarHBondContact O-N 3.07Å; A233-I236 PolarHBondContact O-N 3.14Å; A233-Q237 WeakPolarHBondContact O-CG 3.36Å; A233-Q237 PolarHBondContact O-N 2.95Å; A233-Q237 VanDerWaalsContact O-N 3.14Å
234T94.8Very high95.2Very high63 Ų6371 Ų7139%0.38742%0.421SS..Hα-helixtrans-64.4-43.2177.3-62.20000111.6V230 T231 V232 I236 Q237 K238V230-T234 HydrophobicContact CB-CG2 4.28Å; V230-T234 HydrophobicContact CG1-CG2 4.48Å; T231-T234 PolarHBondContact O-N 3.3Å; T231-T234 VanDerWaalsContact O-N 3.13Å; T231-T234 PolarHBondContact OG1-N 3.2Å; T231-T234 VanDerWaalsContact OG1-N 3.12Å; T231-T234 PolarHBondContact OG1-OG1 2.88Å; T231-T234 VanDerWaalsContact OG1-OG1 3.05Å; V232-T234 PolarHBondContact O-N 3.43Å; T234-I236 VanDerWaalsContact C-N 3.33Å; T234-I236 PolarHBondContact O-N 3.33Å; T234-Q237 PolarHBondContact O-N 3.45Å; T234-K238 HydrophobicContact CG2-CD 4.27Å; T234-K238 HydrophobicContact CG2-CG 4.45Å; T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 WeakPolarHBondContact O-CG 3.32Å; T234-K238 PolarHBondContact O-N 2.97Å
235A94.4Very high95.2Very high23 Ų2373.7 Ų73.719%0.1943%0.432CS..Hα-helixtrans-60-41.7177.100000112.2L118 V230 T231 V232 K238 M239L118-A235 HydrophobicContact CD2-CB 4.01Å; V230-A235 HydrophobicContact CG2-CB 4.13Å; T231-A235 PolarHBondContact O-N 3.03Å; V232-A235 PolarHBondContact O-N 3.25Å; A235-K238 PolarHBondContact O-N 2.85Å; A235-M239 WeakPolarHBondContact O-CG 3.39Å; A235-M239 PolarHBondContact O-N 3.49Å
236I94.4Very high95.2Very high31 Ų3173 Ų7316%0.15944%0.436CS..Hα-helixtrans-60.4-49175.6-67.3152.8000111V232 A233 T234 K238 M239 K240 L248 L250V232-I236 HydrophobicContact CG1-CD1 3.84Å; V232-I236 HydrophobicContact CG1-CG1 4.43Å; V232-I236 VanDerWaalsContact O-CD1 3.24Å; V232-I236 WeakPolarHBondContact O-CD1 3.32Å; V232-I236 WeakPolarHBondContact O-CG1 3.26Å; V232-I236 PolarHBondContact O-N 2.96Å; A233-I236 PolarHBondContact O-N 3.14Å; T234-I236 VanDerWaalsContact C-N 3.33Å; T234-I236 PolarHBondContact O-N 3.33Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 3.29Å; I236-M239 PolarHBondContact O-N 3.48Å; I236-K240 HydrophobicContact CG2-CD 4.17Å; I236-K240 HydrophobicContact CG2-CG 4.31Å; I236-K240 WeakPolarHBondContact O-CB 3.45Å; I236-K240 WeakPolarHBondContact O-CG 3.3Å; I236-K240 PolarHBondContact O-N 3.05Å; I236-L248 HydrophobicContact CG2-CD1 4.28Å; I236-L250 HydrophobicContact CD1-CD1 3.28Å; I236-L250 HydrophobicContact CD1-CD2 4.22Å; I236-L250 HydrophobicContact CD1-CG 4.28Å; I236-L250 HydrophobicContact CG1-CD1 3.87Å; I236-L250 HydrophobicContact CG1-CD2 3.91Å; I236-L250 HydrophobicContact CG1-CG 4.38Å
237Q95.9Very high95Very high123 Ų12377.1 Ų77.158%0.57546%0.459SS*.Hα-helixtrans-63.4-42.4-178.3-68.2-58.4-29.100111.5A233 T234 K240 S241A233-Q237 WeakPolarHBondContact O-CG 3.36Å; A233-Q237 PolarHBondContact O-N 2.95Å; A233-Q237 VanDerWaalsContact O-N 3.14Å; T234-Q237 PolarHBondContact O-N 3.45Å; Q237-K240 PolarHBondContact O-N 3.14Å; Q237-S241 WeakPolarHBondContact O-CB 3.38Å; Q237-S241 PolarHBondContact O-N 3.28Å
238K96.2Very high94.9Very high75 Ų7575.4 Ų75.433%0.32645%0.449SS..Hα-helixtrans-56.9-49.9173.2-78.9-176.7169.2-174.30111.9G117 L118 T234 A235 I236 S241 H242G117-K238 WeakPolarHBondContact O-CB 3.4Å; L118-K238 VanDerWaalsContact O-CD 3.3Å; L118-K238 WeakPolarHBondContact O-CD 3.36Å; L118-K238 PolarHBondContact O-NZ 3.25Å; T234-K238 HydrophobicContact CG2-CD 4.27Å; T234-K238 HydrophobicContact CG2-CG 4.45Å; T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 WeakPolarHBondContact O-CG 3.32Å; T234-K238 PolarHBondContact O-N 2.97Å; A235-K238 PolarHBondContact O-N 2.85Å; I236-K238 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 3.29Å; K238-S241 PolarHBondContact O-N 3.39Å; K238-H242 VanDerWaalsContact O-CB 3.3Å; K238-H242 WeakPolarHBondContact O-CB 3.43Å; K238-H242 PolarHBondContact O-N 2.95Å
239M96.5Very high94.7Very high32 Ų3280.8 Ų80.816%0.15846%0.463CS..Hα-helixtrans-67.5-37.8179.1-70.8-52.8-59.700113.4L118 A235 I236 S241 H242 L243 L248L118-M239 HydrophobicContact CD2-CG 3.57Å; L118-M239 HydrophobicContact CD2-SD 3.71Å; L118-M239 HydrophobicContact CG-CG 4.28Å; L118-M239 HydrophobicContact CG-SD 3.73Å; A235-M239 WeakPolarHBondContact O-CG 3.39Å; A235-M239 PolarHBondContact O-N 3.49Å; I236-M239 PolarHBondContact O-N 3.48Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-H242 PolarHBondContact O-N 2.97Å; M239-L243 HydrophobicContact CE-CD1 3.74Å; M239-L243 HydrophobicContact CE-CD2 4.26Å; M239-L243 HydrophobicContact CE-CG 3.93Å; M239-L243 VanDerWaalsContact O-CB 3.3Å; M239-L243 WeakPolarHBondContact O-CB 3.42Å; M239-L243 VanDerWaalsContact O-CG 3.27Å; M239-L243 WeakPolarHBondContact O-CG 3.46Å; M239-L243 PolarHBondContact O-N 3.27Å; M239-L248 HydrophobicContact CB-CD1 3.67Å
240K96.9Very high94.5Very high51 Ų5180 Ų8022%0.22245%0.452CS..Hα-helixtrans-59.5-46.4173.4-78.2-172.7180-164.40111.4I236 Q237 G244 L245 A246 L248I236-K240 HydrophobicContact CG2-CD 4.17Å; I236-K240 HydrophobicContact CG2-CG 4.31Å; I236-K240 WeakPolarHBondContact O-CB 3.45Å; I236-K240 WeakPolarHBondContact O-CG 3.3Å; I236-K240 PolarHBondContact O-N 3.05Å; Q237-K240 PolarHBondContact O-N 3.14Å; K240-G244 CarbonylContact O-C 3.46Å; K240-G244 WeakPolarHBondContact O-CA 3.14Å; K240-G244 PolarHBondContact O-N 2.87Å; K240-L245 VanDerWaalsContact CB-O 3.26Å; K240-L245 WeakPolarHBondContact CB-O 3.21Å; K240-L245 VanDerWaalsContact CG-O 3.32Å; K240-L245 WeakPolarHBondContact CG-O 3.39Å; K240-L245 PolarHBondContact O-N 3.08Å; K240-A246 VanDerWaalsContact CE-O 3.26Å; K240-A246 WeakPolarHBondContact CE-O 3.12Å; K240-A246 PolarHBondContact NZ-O 3.32Å; K240-L248 HydrophobicContact CG-CD1 3.8Å; K240-L248 HydrophobicContact CG-CG 3.88Å
241S96.8Very high94.2Very high101 Ų10182 Ų8271%0.70648%0.475SS*.Hα-helixtrans-62.3-50176.4-173.20000111.2Q237 K238 M239 L243 G244Q237-S241 WeakPolarHBondContact O-CB 3.38Å; Q237-S241 PolarHBondContact O-N 3.28Å; K238-S241 PolarHBondContact O-N 3.39Å; M239-S241 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 3.43Å; S241-G244 PolarHBondContact O-N 3.32Å
242H97.1Very high93.6Very high59 Ų5982 Ų8227%0.27347%0.47SS..Hα-helixtrans-61.2-41.4-178.2-173.168.9000113.4W113 K238 M239W113-H242 AromaticContact CD2-NE2 3.81Å; W113-H242 AromaticContact CE2-CE1 3.86Å; W113-H242 AromaticContact CE2-NE2 3.6Å; W113-H242 AromaticContact CZ2-NE2 3.79Å; W113-H242 AromaticContact NE1-CE1 3.82Å; W113-H242 AromaticContact NE1-NE2 3.97Å; W113-H242 PolarHBondContact O-CE1 2.89Å; W113-H242 PolarHBondContact O-NE2 3.48Å; K238-H242 VanDerWaalsContact O-CB 3.3Å; K238-H242 WeakPolarHBondContact O-CB 3.43Å; K238-H242 PolarHBondContact O-N 2.95Å; M239-H242 PolarHBondContact O-N 2.97Å
243L95.8Very high93Very high54 Ų5480.3 Ų80.328%0.28347%0.47SS..Hα-helixtrans-90.2-6.7-178.8-59176.7000113.4W113 L114 M239 S241 L245W113-L243 HydrophobicContact CH2-CD2 3.83Å; W113-L243 HydrophobicContact CZ3-CD2 3.82Å; L114-L243 HydrophobicContact CD2-CD2 3.69Å; M239-L243 HydrophobicContact CE-CD1 3.74Å; M239-L243 HydrophobicContact CE-CD2 4.26Å; M239-L243 HydrophobicContact CE-CG 3.93Å; M239-L243 VanDerWaalsContact O-CB 3.3Å; M239-L243 WeakPolarHBondContact O-CB 3.42Å; M239-L243 VanDerWaalsContact O-CG 3.27Å; M239-L243 WeakPolarHBondContact O-CG 3.46Å; M239-L243 PolarHBondContact O-N 3.27Å; S241-L243 PolarHBondContact O-N 3.43Å; L243-L245 VanDerWaalsContact C-N 3.26Å; L243-L245 HydrophobicContact CB-CB 4.41Å; L243-L245 HydrophobicContact CB-CD1 3.84Å; L243-L245 HydrophobicContact CB-CG 3.78Å; L243-L245 HydrophobicContact CD1-CD1 3.88Å; L243-L245 PolarHBondContact O-N 3.24Å
244G96.8Very high92.5Very high70 Ų7082.4 Ų82.472%0.72249%0.487SS*.THydrogen-bonded Turntrans6329.6-172.400000113.9K240 S241K240-G244 CarbonylContact O-C 3.46Å; K240-G244 WeakPolarHBondContact O-CA 3.14Å; K240-G244 PolarHBondContact O-N 2.87Å; S241-G244 PolarHBondContact O-N 3.32Å
245L95.9Very high91.7Very high83 Ų8383.6 Ų83.644%0.43551%0.512SS..  trans-102.5132.6-175.8-65.8177.6000112K240 L243 N247 L248K240-L245 VanDerWaalsContact CB-O 3.26Å; K240-L245 WeakPolarHBondContact CB-O 3.21Å; K240-L245 VanDerWaalsContact CG-O 3.32Å; K240-L245 WeakPolarHBondContact CG-O 3.39Å; K240-L245 PolarHBondContact O-N 3.08Å; L243-L245 VanDerWaalsContact C-N 3.26Å; L243-L245 HydrophobicContact CB-CB 4.41Å; L243-L245 HydrophobicContact CB-CD1 3.84Å; L243-L245 HydrophobicContact CB-CG 3.78Å; L243-L245 HydrophobicContact CD1-CD1 3.88Å; L243-L245 PolarHBondContact O-N 3.24Å; L245-N247 VanDerWaalsContact C-N 3.33Å; L245-N247 PolarHBondContact O-N 2.64Å; L245-L248 HydrophobicContact CD1-CD2 3.98Å
246A95.4Very high90.8Very high78 Ų7890.6 Ų90.665%0.64553%0.534SS*.SBendtrans-69.4-31.8174.900000112.7K240K240-A246 VanDerWaalsContact CE-O 3.26Å; K240-A246 WeakPolarHBondContact CE-O 3.12Å; K240-A246 PolarHBondContact NZ-O 3.32Å
247N94.4Very high89.6Confident133 Ų13394.7 Ų94.771%0.71156%0.56SS**  trans-134.2141.4-170.3-64.4-60.1000111.6L245L245-N247 VanDerWaalsContact C-N 3.33Å; L245-N247 PolarHBondContact O-N 2.64Å
248L93.2Very high88.1Confident59 Ų5995.2 Ų95.231%0.30957%0.566SS.*  trans-130.1141.2169.8-69.5177.3000108.1I236 M239 K240 L245I236-L248 HydrophobicContact CG2-CD1 4.28Å; M239-L248 HydrophobicContact CB-CD1 3.67Å; K240-L248 HydrophobicContact CG-CD1 3.8Å; K240-L248 HydrophobicContact CG-CG 3.88Å; L245-L248 HydrophobicContact CD1-CD2 3.98Å
249R90.7Very high86Confident255 Ų25594 Ų9496%0.96258%0.575SS**  trans-96.2140.1170-67.8-176.7-178.3178.11.1108.7
250L88.9Confident83.4Confident102 Ų102101.7 Ų101.753%0.53461%0.611SS.*  trans-117.6136.8-179.8-62.9160.2000108.9I236I236-L250 HydrophobicContact CD1-CD1 3.28Å; I236-L250 HydrophobicContact CD1-CD2 4.22Å; I236-L250 HydrophobicContact CD1-CG 4.28Å; I236-L250 HydrophobicContact CG1-CD1 3.87Å; I236-L250 HydrophobicContact CG1-CD2 3.91Å; I236-L250 HydrophobicContact CG1-CG 4.38Å
251A86.9Confident81.3Confident97 Ų97108 Ų10880%0.80264%0.641SS**  trans-116.6136.9164.900000107.5
252L80.8Confident78.5Confident84 Ų84109.8 Ų109.844%0.4464%0.643SS.*PPolyproline II helixtrans-80.3148175.1-63.5169.5000109.9R256 L258L252-R256 HydrophobicContact CB-CB 4.32Å; L252-R256 VanDerWaalsContact CD1-O 3.32Å; L252-R256 WeakPolarHBondContact CD1-O 3.46Å; L252-L258 HydrophobicContact CD1-CB 4.27Å; L252-L258 HydrophobicContact CD1-CD1 3.88Å; L252-L258 HydrophobicContact CD1-CG 3.79Å; L252-L258 HydrophobicContact CD2-CD1 4.05Å; L252-L258 HydrophobicContact CD2-CD2 4.2Å; L252-L258 HydrophobicContact CD2-CG 3.63Å; L252-L258 HydrophobicContact CG-CD1 4.13Å; L252-L258 HydrophobicContact CG-CG 4.13Å
253G79.1Confident76.2Confident48 Ų48118.2 Ų118.250%0.49567%0.672SS.*PPolyproline II helixtrans-58.5154.3169.600000110.9G255 R256G253-G255 PolarHBondContact O-N 3.05Å; G253-R256 WeakPolarHBondContact O-CB 3.24Å; G253-R256 PolarHBondContact O-N 3.12Å
254A81.7Confident73.8Confident109 Ų109121 Ų12190%0.90169%0.691SS**THydrogen-bonded Turntrans-53.6129-17900000110.6
255G78.1Confident70.9Confident88 Ų88126.4 Ų126.491%0.90770%0.698SS**THydrogen-bonded Turntrans74.116.9-179.200000115.7G253G253-G255 PolarHBondContact O-N 3.05Å
256R76Confident68.1Low171 Ų171128 Ų12865%0.64571%0.712SS**  trans-111.5145.6177.9-57.4-62.3-172.2166.60.9112.1L252 G253L252-R256 HydrophobicContact CB-CB 4.32Å; L252-R256 VanDerWaalsContact CD1-O 3.32Å; L252-R256 WeakPolarHBondContact CD1-O 3.46Å; G253-R256 WeakPolarHBondContact O-CB 3.24Å; G253-R256 PolarHBondContact O-N 3.12Å
257T69.3Low65.3Low117 Ų117136 Ų13672%0.71873%0.725SS**  trans-115.9153174.848.40000111.2G259T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 3.46Å; T257-G259 VanDerWaalsContact O-N 3.08Å; T257-G259 PolarHBondContact OG1-O 3.13Å
258L63Low62.6Low133 Ų133141.8 Ų141.870%0.69675%0.747SS**SBendtrans-79.879.3171-86.5150.1000109.1L252L252-L258 HydrophobicContact CD1-CB 4.27Å; L252-L258 HydrophobicContact CD1-CD1 3.88Å; L252-L258 HydrophobicContact CD1-CG 3.79Å; L252-L258 HydrophobicContact CD2-CD1 4.05Å; L252-L258 HydrophobicContact CD2-CD2 4.2Å; L252-L258 HydrophobicContact CD2-CG 3.63Å; L252-L258 HydrophobicContact CG-CD1 4.13Å; L252-L258 HydrophobicContact CG-CG 4.13Å
259G53.4Low61Low50 Ų50146 Ų14652%0.51577%0.769SS.*  trans153.8132178.400000108.2T257T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 3.46Å; T257-G259 VanDerWaalsContact O-N 3.08Å; T257-G259 PolarHBondContact OG1-O 3.13Å
260E42.1Very low59.5Low194 Ų194140.2 Ų140.291%0.90776%0.759SS**  cis-140.9165.619.9-71.2172149.200110.7N262E260-N262 PolarHBondContact O-N 3.29Å
261E52.4Low57.8Low184 Ų184142.3 Ų142.386%0.8677%0.771SS**  trans-50.7115.2173.8-61.1170.515200112.5
262N38.2Very low56.1Low138 Ų138145 Ų14574%0.73877%0.77SS**  trans168.685.2143.7-87.5-30.7000109.8E260 T264E260-N262 PolarHBondContact O-N 3.29Å; N262-T264 PolarHBondContact O-N 3.02Å
263W48.9Very low54.6Low236 Ų236148.8 Ų148.889%0.89479%0.79SS**  trans-8047.2166-71.995.5000111.4
264T43.8Very low53Low111 Ų111155.5 Ų155.568%0.68181%0.81SS**  trans-109.291.9163.147.90000107.8N262N262-T264 PolarHBondContact O-N 3.02Å
265Q36.8Very low50.9Low185 Ų185158.9 Ų158.986%0.86480%0.804SS**  trans-145.190152.9-113.9172.410.300110
266T37.8Very low48.8Very low117 Ų117164.3 Ų164.372%0.71880%0.796SS**  30.1120129.10.60000117.9H268T266-H268 PolarHBondContact O-N 3.42Å
267R36.6Very low46.5Very low244 Ų244163.8 Ų163.892%0.92181%0.808SS**  trans-48.1128.9154.1-68.4179.7176.2-171.1-1.9110.1
268H36.4Very low44.5Very low256 Ų256168 Ų168100%1.18582%0.816SS**  trans-138.80142-82.5-52.4000108.4T266T266-H268 PolarHBondContact O-N 3.42Å

Retrieved 268 of 268 residues in 1838.2 ms (Link to these results)

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