G4LY02_SCHMA Loading...

NIF3-like protein 1 AlphaSync

AlphaFold DB , UniProt , Accession G4LY02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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
1M93.6Very high96Very high2 Ų232.9 Ų32.91%0.0117%0.167CC..  0148.90176.6173.9176.600109.8L3 K5 I6 L9 H36 V37 I151 L320 V323 P330 V332M1-L3 PolarHBondContact O-N 2.99Å; M1-K5 HydrophobicContact CE-CB 3.31Å; M1-K5 HydrophobicContact CE-CD 4.12Å; M1-K5 HydrophobicContact CE-CG 4.37Å; M1-K5 HydrophobicContact CG-CB 4.31Å; M1-I6 HydrophobicContact CB-CD1 4.06Å; M1-I6 HydrophobicContact CB-CG1 4.15Å; M1-I6 HydrophobicContact CE-CG1 4.34Å; M1-I6 HydrophobicContact CG-CD1 4.3Å; M1-I6 HydrophobicContact CG-CG1 3.86Å; M1-I6 HydrophobicContact SD-CG1 3.82Å; M1-L9 HydrophobicContact CE-CD1 3.67Å; M1-H36 VanDerWaalsContact CA-CE1 3.49Å; M1-H36 WeakPolarHBondContact CA-CE1 3.37Å; M1-H36 PolarHBondContact N-CD2 3.05Å; M1-H36 PolarHBondContact N-CE1 3.04Å; M1-H36 PolarHBondContact N-NE2 2.88Å; M1-V37 PolarHBondContact N-O 2.85Å; M1-V37 PolarHBondContact O-N 2.78Å; M1-I151 HydrophobicContact CE-CD1 4.08Å; M1-L320 HydrophobicContact SD-CD2 4.03Å; M1-V323 HydrophobicContact CE-CB 4.41Å; M1-V323 HydrophobicContact CE-CG1 3.73Å; M1-V323 HydrophobicContact CE-CG2 4.25Å; M1-V323 HydrophobicContact SD-CG1 4.5Å; M1-P330 HydrophobicContact CB-CB 4.06Å; M1-P330 HydrophobicContact CB-CG 4.4Å; M1-P330 HydrophobicContact CG-CG 4.44Å; M1-P330 HydrophobicContact SD-CG 3.95Å; M1-V332 HydrophobicContact CB-CG2 3.7Å; M1-V332 HydrophobicContact SD-CG2 4.46Å
2E94.3Very high96Very high70 Ų7030.8 Ų30.833%0.32716%0.158SC..BIsolated β-bridgetrans-61.2135.8177.9-66.2-54.2112.700111.6T4 K5 I6 H36E2-T4 PolarHBondContact O-N 3.45Å; E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.14Å; E2-I6 PolarHBondContact O-N 3.18Å; E2-H36 IonicContact OE1-CG 3.5Å; E2-H36 IonicContact OE1-ND1 3.97Å; E2-H36 PolarHBondContact OE1-ND1 3.08Å
3L96Very high96Very high1 Ų128.5 Ų28.51%0.00515%0.146CC..Hα-helixtrans-52.4-42.8-179.5176.965.2000112M1 K5 I6 V7 L27 E30 H35 V37 L61M1-L3 PolarHBondContact O-N 2.99Å; L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.1Å; L3-I6 PolarHBondContact O-N 2.84Å; L3-I6 VanDerWaalsContact O-N 3.09Å; L3-V7 HydrophobicContact CD1-CG2 3.92Å; L3-V7 HydrophobicContact CG-CG2 4.08Å; L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 3.35Å; L3-L27 HydrophobicContact CD2-CD1 4.46Å; L3-L27 HydrophobicContact CD2-CD2 4.35Å; L3-E30 HydrophobicContact CD2-CG 4.23Å; L3-H35 HydrophobicContact CB-CB 4.24Å; L3-H35 PolarHBondContact N-O 3.07Å; L3-V37 HydrophobicContact CB-CG2 4.28Å; L3-V37 HydrophobicContact CD1-CG2 4.14Å; L3-L61 HydrophobicContact CD1-CD1 3.91Å; L3-L61 HydrophobicContact CD1-CD2 4.07Å; L3-L61 HydrophobicContact CD1-CG 4.4Å
4T94.6Very high96Very high68 Ų6826.6 Ų26.642%0.41714%0.136SC..Hα-helixtrans-57.2-43.7-178.551.20000112.2E2 V7 Q8E2-T4 PolarHBondContact O-N 3.45Å; T4-V7 PolarHBondContact O-N 2.81Å; T4-Q8 WeakPolarHBondContact O-CG 3.46Å; T4-Q8 PolarHBondContact O-N 3.42Å
5K94.4Very high95.7Very high57 Ų5724.9 Ų24.925%0.24813%0.128CC..Hα-helixtrans-67.7-38.6176.6-64.7-170.8173.8-167.40112M1 E2 L3 Q8 L9 I151 N325M1-K5 HydrophobicContact CE-CB 3.31Å; M1-K5 HydrophobicContact CE-CD 4.12Å; M1-K5 HydrophobicContact CE-CG 4.37Å; M1-K5 HydrophobicContact CG-CB 4.31Å; E2-K5 PolarHBondContact O-N 3.35Å; E2-K5 VanDerWaalsContact O-N 3.14Å; L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.1Å; K5-Q8 PolarHBondContact O-N 3.37Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 3.45Å; K5-L9 VanDerWaalsContact O-N 3.12Å; K5-I151 HydrophobicContact CB-CD1 4.19Å; K5-I151 HydrophobicContact CD-CD1 4.47Å; K5-N325 PolarHBondContact NZ-OD1 3.45Å
6I96.7Very high95.5Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-64.4-43.7176.7-65.4168.7000110.3M1 E2 L3 Q8 L9 L10 V37 I40 L61 F316M1-I6 HydrophobicContact CB-CD1 4.06Å; M1-I6 HydrophobicContact CB-CG1 4.15Å; M1-I6 HydrophobicContact CE-CG1 4.34Å; M1-I6 HydrophobicContact CG-CD1 4.3Å; M1-I6 HydrophobicContact CG-CG1 3.86Å; M1-I6 HydrophobicContact SD-CG1 3.82Å; E2-I6 PolarHBondContact O-N 3.18Å; L3-I6 PolarHBondContact O-N 2.84Å; L3-I6 VanDerWaalsContact O-N 3.09Å; I6-Q8 VanDerWaalsContact C-N 3.34Å; I6-Q8 PolarHBondContact O-N 3.42Å; I6-L9 PolarHBondContact O-N 3.12Å; I6-L10 HydrophobicContact CG2-CD1 3.89Å; I6-L10 HydrophobicContact CG2-CG 4.26Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.36Å; I6-V37 HydrophobicContact CD1-CB 3.51Å; I6-V37 HydrophobicContact CD1-CG1 3.83Å; I6-V37 HydrophobicContact CD1-CG2 4.12Å; I6-I40 HydrophobicContact CD1-CD1 4.32Å; I6-I40 HydrophobicContact CG2-CD1 3.66Å; I6-L61 HydrophobicContact CG2-CD2 3.56Å; I6-F316 HydrophobicContact CG2-CZ 4.43Å
7V97.5Very high95.1Very high17 Ų1730.5 Ų30.510%0.10316%0.156CC..Hα-helixtrans-62.4-41.1177.4172.60000110.8L3 T4 L9 L10 D11 L27 F97L3-V7 HydrophobicContact CD1-CG2 3.92Å; L3-V7 HydrophobicContact CG-CG2 4.08Å; L3-V7 WeakPolarHBondContact O-CG2 3.48Å; L3-V7 PolarHBondContact O-N 3.35Å; T4-V7 PolarHBondContact O-N 2.81Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.06Å; V7-L10 CarbonylContact O-C 3.5Å; V7-L10 PolarHBondContact O-N 3.41Å; V7-L10 VanDerWaalsContact O-N 3.17Å; V7-D11 WeakPolarHBondContact O-CB 3.48Å; V7-D11 PolarHBondContact O-N 2.9Å; V7-L27 HydrophobicContact CG1-CB 4.34Å; V7-L27 HydrophobicContact CG2-CB 4.42Å; V7-L27 HydrophobicContact CG2-CD1 4.04Å; V7-L27 HydrophobicContact CG2-CD2 4.19Å; V7-L27 HydrophobicContact CG2-CG 4.46Å; V7-F97 HydrophobicContact CG1-CD2 4.49Å; V7-F97 HydrophobicContact CG1-CE2 4.4Å
8Q96.8Very high94.8Very high91 Ų9128.9 Ų28.943%0.42515%0.148SC..Hα-helixtrans-59.1-42173.8-72.3173-55.600112.6T4 K5 I6 A12T4-Q8 WeakPolarHBondContact O-CG 3.46Å; T4-Q8 PolarHBondContact O-N 3.42Å; K5-Q8 PolarHBondContact O-N 3.37Å; I6-Q8 VanDerWaalsContact C-N 3.34Å; I6-Q8 PolarHBondContact O-N 3.42Å; Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.46Å; Q8-A12 PolarHBondContact O-N 2.8Å
9L97Very high94.7Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-68.4-38.4175.2-67.3172.7000112.3M1 K5 I6 V7 Y13 V150 I151 F316 L319 L320 V323M1-L9 HydrophobicContact CE-CD1 3.67Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 3.45Å; K5-L9 VanDerWaalsContact O-N 3.12Å; I6-L9 PolarHBondContact O-N 3.12Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.06Å; L9-Y13 VanDerWaalsContact O-CB 3.28Å; L9-Y13 WeakPolarHBondContact O-CB 3.41Å; L9-Y13 PolarHBondContact O-N 3.01Å; L9-V150 HydrophobicContact CD2-CB 4.19Å; L9-V150 HydrophobicContact CD2-CG1 3.92Å; L9-I151 HydrophobicContact CD1-CD1 4.22Å; L9-I151 HydrophobicContact CD2-CD1 4.05Å; L9-I151 HydrophobicContact CD2-CG1 3.72Å; L9-I151 HydrophobicContact CG-CD1 4.05Å; L9-I151 HydrophobicContact CG-CG1 3.93Å; L9-F316 HydrophobicContact CB-CE2 3.88Å; L9-F316 HydrophobicContact CB-CZ 4.04Å; L9-L319 HydrophobicContact CB-CD2 4.15Å; L9-L319 HydrophobicContact CD2-CD1 4.02Å; L9-L319 HydrophobicContact CD2-CD2 4.06Å; L9-L319 HydrophobicContact CD2-CG 3.94Å; L9-L320 HydrophobicContact CD1-CD2 3.91Å; L9-V323 HydrophobicContact CD1-CG2 3.69Å; L9-V323 HydrophobicContact CD2-CG2 4.44Å
10L97.9Very high94.6Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-66.1-42.1175.8-74.4170.7000111.3I6 V7 Y13 C14 L61 V63 F97 F312 F316I6-L10 HydrophobicContact CG2-CD1 3.89Å; I6-L10 HydrophobicContact CG2-CG 4.26Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.36Å; V7-L10 CarbonylContact O-C 3.5Å; V7-L10 PolarHBondContact O-N 3.41Å; V7-L10 VanDerWaalsContact O-N 3.17Å; L10-Y13 PolarHBondContact O-N 2.94Å; L10-C14 WeakPolarHBondContact O-CA 3.38Å; L10-C14 WeakPolarHBondContact O-CB 3.5Å; L10-C14 PolarHBondContact O-N 3.28Å; L10-C14 PolarHBondContact O-SG 3.4Å; L10-L61 HydrophobicContact CD1-CD2 3.88Å; L10-V63 HydrophobicContact CD1-CG2 4Å; L10-V63 HydrophobicContact CD2-CG2 4.08Å; L10-F97 HydrophobicContact CB-CD1 4.26Å; L10-F97 HydrophobicContact CB-CD2 4.17Å; L10-F97 HydrophobicContact CB-CE1 3.93Å; L10-F97 HydrophobicContact CB-CE2 3.8Å; L10-F97 HydrophobicContact CB-CG 4.39Å; L10-F97 HydrophobicContact CB-CZ 3.69Å; L10-F97 HydrophobicContact CD1-CB 4.03Å; L10-F97 HydrophobicContact CD1-CD1 4.02Å; L10-F97 HydrophobicContact CD1-CD2 4Å; L10-F97 HydrophobicContact CD1-CE2 4.48Å; L10-F97 HydrophobicContact CD1-CG 3.75Å; L10-F312 HydrophobicContact CD2-CE2 4.44Å; L10-F312 HydrophobicContact CD2-CZ 3.76Å; L10-F316 HydrophobicContact CD2-CD1 4.45Å; L10-F316 HydrophobicContact CD2-CD2 4.27Å; L10-F316 HydrophobicContact CD2-CE1 3.87Å; L10-F316 HydrophobicContact CD2-CE2 3.67Å; L10-F316 HydrophobicContact CD2-CZ 3.46Å; L10-F316 VanDerWaalsContact CD2-CZ 3.46Å; L10-F316 HydrophobicContact CG-CE1 4.31Å; L10-F316 HydrophobicContact CG-CE2 4.03Å; L10-F316 HydrophobicContact CG-CZ 3.61Å
11D97.3Very high94.4Very high56 Ų5636.6 Ų36.630%0.29918%0.181SC..Hα-helixtrans-65.3-43.9176-76.4-24.7000111V7 Y13 L15 P16 F97V7-D11 WeakPolarHBondContact O-CB 3.48Å; V7-D11 PolarHBondContact O-N 2.9Å; D11-Y13 VanDerWaalsContact C-N 3.32Å; D11-Y13 PolarHBondContact O-N 3.33Å; D11-L15 WeakPolarHBondContact O-CA 3.44Å; D11-L15 PolarHBondContact O-N 2.89Å; D11-P16 HydrophobicContact CB-CG 4.24Å; D11-P16 WeakPolarHBondContact O-CD 3.3Å; D11-F97 VanDerWaalsContact OD1-CE2 3.26Å; D11-F97 WeakPolarHBondContact OD1-CE2 3.05Å; D11-F97 WeakPolarHBondContact OD1-CZ 3.25Å
12A96.2Very high94.4Very high7 Ų743.8 Ų43.86%0.05821%0.208CC..Hα-helixtrans-59.6-43.4174.100000111.5Q8 L15 V150 V155 G156 V157Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.46Å; Q8-A12 PolarHBondContact O-N 2.8Å; A12-L15 WeakPolarHBondContact O-CD2 3.47Å; A12-V150 HydrophobicContact CB-CG1 3.29Å; A12-V155 WeakPolarHBondContact CB-O 3.45Å; A12-G156 CarbonylContact O-C 3.58Å; A12-V157 HydrophobicContact CB-CG2 4.21Å; A12-V157 PolarHBondContact O-N 2.89Å
13Y96.2Very high94.4Very high2 Ų241.3 Ų41.31%0.00820%0.198CC..Hα-helixtrans-75.3-43.7179.9-175.4-88.9000113L9 L10 D11 L103 K106 F312 D315 F316L9-Y13 VanDerWaalsContact O-CB 3.28Å; L9-Y13 WeakPolarHBondContact O-CB 3.41Å; L9-Y13 PolarHBondContact O-N 3.01Å; L10-Y13 PolarHBondContact O-N 2.94Å; D11-Y13 VanDerWaalsContact C-N 3.32Å; D11-Y13 PolarHBondContact O-N 3.33Å; Y13-L103 HydrophobicContact CE1-CD1 4.36Å; Y13-K106 WeakPolarHBondContact O-CD 3.36Å; Y13-K106 WeakPolarHBondContact O-CE 3.4Å; Y13-K106 PolarHBondContact O-NZ 2.93Å; Y13-F312 HydrophobicContact CD1-CD2 4.09Å; Y13-F312 AromaticContact CD1-CE2 3.89Å; Y13-F312 HydrophobicContact CD1-CE2 3.89Å; Y13-F312 AromaticContact CE1-CD2 3.58Å; Y13-F312 HydrophobicContact CE1-CD2 3.58Å; Y13-F312 AromaticContact CE1-CE2 3.88Å; Y13-F312 HydrophobicContact CE1-CE2 3.88Å; Y13-D315 HydrophobicContact CE2-CB 3.72Å; Y13-D315 PolarHBondContact OH-OD2 3.1Å; Y13-F316 HydrophobicContact CG-CD2 4.4Å
14C95.2Very high94.5Very high1 Ų144.1 Ų44.11%0.00721%0.213CC..Hα-helixtrans-88.2-15.3-171.1-600000113.4L10 F97 P99 G102L10-C14 WeakPolarHBondContact O-CA 3.38Å; L10-C14 WeakPolarHBondContact O-CB 3.5Å; L10-C14 PolarHBondContact O-N 3.28Å; L10-C14 PolarHBondContact O-SG 3.4Å; C14-F97 HydrophobicContact CB-CE1 4.3Å; C14-F97 HydrophobicContact CB-CZ 4.47Å; C14-P99 HydrophobicContact CB-CB 3.79Å; C14-P99 VanDerWaalsContact SG-CB 3.59Å; C14-G102 CarbonylContact O-C 3.55Å
15L92.4Very high94.6Very high1 Ų142.4 Ų42.41%0.00520%0.202CC..  trans52.762.1177-51.8179.1000112.6D11 A12 H17 L18 K106D11-L15 WeakPolarHBondContact O-CA 3.44Å; D11-L15 PolarHBondContact O-N 2.89Å; A12-L15 WeakPolarHBondContact O-CD2 3.47Å; L15-H17 PolarHBondContact O-N 2.88Å; L15-L18 HydrophobicContact CB-CD1 3.77Å; L15-L18 HydrophobicContact CB-CG 3.93Å; L15-L18 HydrophobicContact CD1-CD1 3.69Å; L15-L18 HydrophobicContact CG-CD1 4.39Å; L15-L18 WeakPolarHBondContact O-CB 3.24Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-K106 HydrophobicContact CD1-CB 4.39Å; L15-K106 HydrophobicContact CD1-CD 4.12Å; L15-K106 HydrophobicContact CD1-CG 3.96Å; L15-K106 HydrophobicContact CG-CD 4.34Å
16P92.1Very high94.8Very high38 Ų3840 Ų4025%0.24719%0.194CC..G310 helixtrans-59.5-20.4-174.726.2-36.6000113.8D11 L18 A19 V25D11-P16 HydrophobicContact CB-CG 4.24Å; D11-P16 WeakPolarHBondContact O-CD 3.3Å; P16-L18 PolarHBondContact O-N 3.2Å; P16-A19 WeakPolarHBondContact O-CB 3.38Å; P16-A19 PolarHBondContact O-N 3.14Å; P16-A19 VanDerWaalsContact O-N 3.09Å; P16-V25 HydrophobicContact CB-CG2 3.73Å
17H88.2Confident94.9Very high108 Ų10842.4 Ų42.450%0.521%0.206SC..G310 helixtrans-67.7-14.5173.467.5-92.3000113.9L15L15-H17 PolarHBondContact O-N 2.88Å
18L90Very high94.9Very high1 Ų143 Ų431%0.00521%0.209CC..G310 helixtrans-85.8-12.1172.2-59.9-177000113L15 P16 A105 K106 S129 I131 E205L15-L18 HydrophobicContact CB-CD1 3.77Å; L15-L18 HydrophobicContact CB-CG 3.93Å; L15-L18 HydrophobicContact CD1-CD1 3.69Å; L15-L18 HydrophobicContact CG-CD1 4.39Å; L15-L18 WeakPolarHBondContact O-CB 3.24Å; L15-L18 PolarHBondContact O-N 2.9Å; P16-L18 PolarHBondContact O-N 3.2Å; L18-A105 HydrophobicContact CB-CB 3.87Å; L18-K106 HydrophobicContact CD1-CB 4.23Å; L18-S129 WeakPolarHBondContact CD2-OG 3.28Å; L18-I131 HydrophobicContact CD2-CD1 3.74Å; L18-I131 HydrophobicContact CD2-CG1 4.07Å; L18-E205 HydrophobicContact CD1-CB 4.35Å; L18-E205 HydrophobicContact CD1-CG 4.26Å; L18-E205 HydrophobicContact CD2-CB 4.4Å
19A92.9Very high95Very high11 Ų1138.9 Ų38.99%0.09119%0.19CC..SBendtrans-63.9154.1-178.900000111.9P16 V25 T101P16-A19 WeakPolarHBondContact O-CB 3.38Å; P16-A19 PolarHBondContact O-N 3.14Å; P16-A19 VanDerWaalsContact O-N 3.09Å; A19-V25 HydrophobicContact CB-CB 4.31Å; A19-V25 HydrophobicContact CB-CG1 3.77Å; A19-V25 HydrophobicContact CB-CG2 3.6Å; A19-T101 WeakPolarHBondContact CA-OG1 3.49Å; A19-T101 WeakPolarHBondContact CB-OG1 3.42Å
20E91.9Very high95Very high54 Ų5444 Ų4425%0.25221%0.214SC..  trans-64.5142.9175.1-74.9-69.2152.200111.1W22 D23 T101 C207E20-W22 HydrophobicContact CB-CD2 4.06Å; E20-W22 VanDerWaalsContact CB-CE2 3.45Å; E20-W22 HydrophobicContact CB-CG 4.34Å; E20-W22 HydrophobicContact CB-CZ2 3.72Å; E20-W22 HydrophobicContact CG-CZ2 3.81Å; E20-W22 PolarHBondContact O-N 3.28Å; E20-W22 VanDerWaalsContact O-N 3.1Å; E20-W22 PolarHBondContact OE2-NE1 3.09Å; E20-D23 HydrophobicContact CB-CB 4.27Å; E20-D23 VanDerWaalsContact O-CB 3.27Å; E20-D23 WeakPolarHBondContact O-CB 3.25Å; E20-D23 PolarHBondContact O-N 3.33Å; E20-T101 HydrophobicContact CB-CG2 4.37Å; E20-T101 HydrophobicContact CG-CG2 4.26Å; E20-T101 PolarHBondContact N-OG1 3.32Å; E20-C207 PolarHBondContact OE1-SG 3.19Å
21K91.4Very high95Very high184 Ų18444.3 Ų44.380%0.822%0.215SC*.THydrogen-bonded Turntrans-64.3-22.1-173.7-66.4-175.5179.6-179.80114.5D23K21-D23 VanDerWaalsContact C-N 3.35Å
22W92.5Very high94.9Very high152 Ų15246.2 Ų46.258%0.57623%0.233SC*.THydrogen-bonded Turntrans-86.1-12.317853.1-101.2000112.5E20 F70 T101E20-W22 HydrophobicContact CB-CD2 4.06Å; E20-W22 VanDerWaalsContact CB-CE2 3.45Å; E20-W22 HydrophobicContact CB-CG 4.34Å; E20-W22 HydrophobicContact CB-CZ2 3.72Å; E20-W22 HydrophobicContact CG-CZ2 3.81Å; E20-W22 PolarHBondContact O-N 3.28Å; E20-W22 VanDerWaalsContact O-N 3.1Å; E20-W22 PolarHBondContact OE2-NE1 3.09Å; W22-F70 HydrophobicContact CE3-CE2 4.02Å; W22-F70 AromaticContact CE3-CZ 3.94Å; W22-F70 HydrophobicContact CE3-CZ 3.94Å; W22-F70 AromaticContact CZ3-CE2 3.77Å; W22-F70 HydrophobicContact CZ3-CE2 3.77Å; W22-F70 AromaticContact CZ3-CZ 3.87Å; W22-F70 HydrophobicContact CZ3-CZ 3.87Å; W22-T101 HydrophobicContact CH2-CG2 3.75Å; W22-T101 HydrophobicContact CZ2-CG2 4.16Å
23D95.4Very high94.7Very high19 Ų1951.3 Ų51.310%0.10226%0.259CS..SBendtrans-83.9158.5-175.2-164.414.8000111.6E20 K21 V25 H100 T101E20-D23 HydrophobicContact CB-CB 4.27Å; E20-D23 VanDerWaalsContact O-CB 3.27Å; E20-D23 WeakPolarHBondContact O-CB 3.25Å; E20-D23 PolarHBondContact O-N 3.33Å; K21-D23 VanDerWaalsContact C-N 3.35Å; D23-V25 HydrophobicContact CB-CG1 4.44Å; D23-V25 WeakPolarHBondContact OD2-CG1 3.47Å; D23-H100 IonicContact OD1-CE1 2.75Å; D23-H100 IonicContact OD1-CG 2.63Å; D23-H100 IonicContact OD1-ND1 3.52Å; D23-H100 PolarHBondContact OD1-ND1 2.94Å; D23-H100 WeakPolarHBondContact OD2-CB 3.47Å; D23-H100 IonicContact OD2-CE1 3.89Å; D23-H100 IonicContact OD2-CG 3.39Å; D23-H100 VanDerWaalsContact OD2-CG 3.29Å; D23-H100 IonicContact OD2-ND1 2.81Å; D23-H100 PolarHBondContact OD2-ND1 3.17Å; D23-T101 HydrophobicContact CB-CG2 4.41Å; D23-T101 WeakPolarHBondContact OD2-CB 3.29Å; D23-T101 VanDerWaalsContact OD2-CG2 3.31Å; D23-T101 WeakPolarHBondContact OD2-CG2 3.45Å; D23-T101 PolarHBondContact OD2-N 3.26Å; D23-T101 PolarHBondContact OD2-OG1 3.05Å
24N97.4Very high94.6Very high60 Ų6056.5 Ų56.532%0.32129%0.293SS..  trans-118.990.7178.2-166.228.6000110.1P67 I69N24-P67 VanDerWaalsContact O-CB 3.24Å; N24-P67 WeakPolarHBondContact O-CB 3.35Å; N24-I69 PolarHBondContact ND2-O 3.3Å
25V97.6Very high94.6Very high31 Ų3157 Ų5719%0.18830%0.295CS..  trans-108.4169.8-176.3-60.70000112.3P16 A19 D23 S98 H100P16-V25 HydrophobicContact CB-CG2 3.73Å; A19-V25 HydrophobicContact CB-CB 4.31Å; A19-V25 HydrophobicContact CB-CG1 3.77Å; A19-V25 HydrophobicContact CB-CG2 3.6Å; D23-V25 HydrophobicContact CB-CG1 4.44Å; D23-V25 WeakPolarHBondContact OD2-CG1 3.47Å; V25-S98 CarbonylContact C-O 3.56Å; V25-S98 VanDerWaalsContact CA-O 3.26Å; V25-S98 WeakPolarHBondContact CA-O 3.48Å; V25-S98 WeakPolarHBondContact CB-O 3.36Å; V25-H100 HydrophobicContact CG1-CB 3.99Å
26G98Very high94.7Very high8 Ų861.7 Ų61.78%0.08232%0.316CS..EExtended strand (participates in β ladder)trans92.3-156.8179.500000112.8L28 F97 S98G26-L28 PolarHBondContact O-N 2.75Å; G26-F97 VanDerWaalsContact C-CD2 3.41Å; G26-F97 CarbonylContact O-C 3.54Å; G26-F97 VanDerWaalsContact O-CA 3.28Å; G26-F97 WeakPolarHBondContact O-CA 3.43Å; G26-S98 PolarHBondContact N-O 2.61Å; G26-S98 PolarHBondContact O-N 2.76Å
27L98.4Very high95Very high49 Ų4959.9 Ų59.926%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-75.1111.7176.3-174.469.6000110.5L3 V7 I29 E30 F97L3-L27 HydrophobicContact CD2-CD1 4.46Å; L3-L27 HydrophobicContact CD2-CD2 4.35Å; V7-L27 HydrophobicContact CG1-CB 4.34Å; V7-L27 HydrophobicContact CG2-CB 4.42Å; V7-L27 HydrophobicContact CG2-CD1 4.04Å; V7-L27 HydrophobicContact CG2-CD2 4.19Å; V7-L27 HydrophobicContact CG2-CG 4.46Å; L27-I29 WeakPolarHBondContact CD1-O 3.3Å; L27-E30 HydrophobicContact CD2-CB 3.78Å; L27-E30 HydrophobicContact CD2-CG 3.79Å; L27-E30 HydrophobicContact CG-CB 4.29Å; L27-F97 HydrophobicContact CB-CD2 4.43Å
28L98.4Very high95.4Very high30 Ų3059.2 Ų59.216%0.15731%0.305CS..EExtended strand (participates in β ladder)trans-101.4-27.6-175.3-56-173.6000113.4G26 P67 V96G26-L28 PolarHBondContact O-N 2.75Å; L28-P67 HydrophobicContact CD1-CB 3.49Å; L28-P67 VanDerWaalsContact CD1-CB 3.49Å; L28-V96 PolarHBondContact N-O 3.44Å
29I98.4Very high95.8Very high5 Ų563.1 Ų63.13%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-131.2120.5176.2-59.1178.8000107.2L27 I69 V86 C89 I90 G95 V96L27-I29 WeakPolarHBondContact CD1-O 3.3Å; I29-I69 HydrophobicContact CD1-CD1 4.35Å; I29-I69 HydrophobicContact CG1-CD1 3.89Å; I29-V86 HydrophobicContact CD1-CB 4.09Å; I29-V86 HydrophobicContact CD1-CG1 3.94Å; I29-V86 HydrophobicContact CD1-CG2 3.89Å; I29-V86 HydrophobicContact CG1-CG1 4.38Å; I29-C89 HydrophobicContact CD1-CB 4.1Å; I29-C89 HydrophobicContact CG2-CB 4.17Å; I29-I90 HydrophobicContact CG2-CD1 3.53Å; I29-I90 HydrophobicContact CG2-CG1 4.08Å; I29-G95 CarbonylContact O-C 3.57Å; I29-G95 WeakPolarHBondContact O-CA 3.43Å; I29-V96 HydrophobicContact CB-CB 3.91Å; I29-V96 HydrophobicContact CB-CG2 4.01Å; I29-V96 HydrophobicContact CD1-CB 4.1Å; I29-V96 HydrophobicContact CD1-CG2 3.74Å; I29-V96 HydrophobicContact CG1-CB 4.09Å; I29-V96 HydrophobicContact CG1-CG2 4.2Å; I29-V96 PolarHBondContact N-O 2.65Å; I29-V96 PolarHBondContact O-N 2.79Å
30E97.8Very high96Very high108 Ų10862.6 Ų62.651%0.50532%0.315SS..  trans-120.2114.8-178.4-173.8172-158.100110.2L3 L27L3-E30 HydrophobicContact CD2-CG 4.23Å; L27-E30 HydrophobicContact CD2-CB 3.78Å; L27-E30 HydrophobicContact CD2-CG 3.79Å; L27-E30 HydrophobicContact CG-CB 4.29Å
31P96.8Very high96.4Very high5 Ų560.1 Ų60.13%0.03230%0.304CS..PPolyproline II helixtrans-68.4155.6171.7-20.834.8000112.1K93 I94P31-K93 HydrophobicContact CB-CB 4.27Å; P31-I94 VanDerWaalsContact CG-C 3.5Å
32S95.3Very high96.7Very high96 Ų9651.3 Ų51.367%0.67127%0.265SS*.SBendtrans-60.2137.5177-52.30000112.9
33L93.1Very high97Very high115 Ų11544.1 Ų44.160%0.60224%0.238SC*.SBendtrans-70.5155.2178.1-63.5177.3000113.6
34P93.1Very high97.1Very high111 Ų11143.2 Ų43.272%0.72123%0.233SC*.SBendcis-70.4145.9-10.330.9-34.9000111.3
35H95.5Very high97.2Very high12 Ų1242.6 Ų42.66%0.05623%0.23CC..  trans-129.8106.8-179-166.655.4000111.6L3 G60 K93L3-H35 HydrophobicContact CB-CB 4.24Å; L3-H35 PolarHBondContact N-O 3.07Å; H35-G60 PolarHBondContact NE2-O 2.89Å; H35-K93 PolarHBondContact CE1-O 3.35Å; H35-K93 PolarHBondContact NE2-O 3.1Å
36H95Very high97.2Very high98 Ų9841.4 Ų41.445%0.45422%0.223SC..BIsolated β-bridgetrans-97.2136.2178.7-158.985.2000110.5M1 E2 D38M1-H36 VanDerWaalsContact CA-CE1 3.49Å; M1-H36 WeakPolarHBondContact CA-CE1 3.37Å; M1-H36 PolarHBondContact N-CD2 3.05Å; M1-H36 PolarHBondContact N-CE1 3.04Å; M1-H36 PolarHBondContact N-NE2 2.88Å; E2-H36 IonicContact OE1-CG 3.5Å; E2-H36 IonicContact OE1-ND1 3.97Å; E2-H36 PolarHBondContact OE1-ND1 3.08Å; H36-D38 IonicContact CD2-OD1 2.77Å; H36-D38 PolarHBondContact CD2-OD1 2.84Å; H36-D38 IonicContact NE2-OD1 3.86Å; H36-D38 PolarHBondContact NE2-OD1 2.99Å
37V97.1Very high97.2Very high0 Ų043.4 Ų43.40%023%0.233CC..  trans-120.7114.7-179.1179.30000109.4M1 L3 I6 R39 I40 L61M1-V37 PolarHBondContact N-O 2.85Å; M1-V37 PolarHBondContact O-N 2.78Å; L3-V37 HydrophobicContact CB-CG2 4.28Å; L3-V37 HydrophobicContact CD1-CG2 4.14Å; I6-V37 HydrophobicContact CD1-CB 3.51Å; I6-V37 HydrophobicContact CD1-CG1 3.83Å; I6-V37 HydrophobicContact CD1-CG2 4.12Å; V37-R39 WeakPolarHBondContact CG1-O 3.31Å; V37-I40 HydrophobicContact CG1-CG1 3.85Å; V37-L61 HydrophobicContact CG1-CB 3.79Å; V37-L61 HydrophobicContact CG2-CB 4.13Å
38D96.4Very high97.2Very high95 Ų9543.9 Ų43.951%0.50823%0.234SC..SBendtrans-94.7-23.8173.1-61.2-43000112.3H36 V332 E333H36-D38 IonicContact CD2-OD1 2.77Å; H36-D38 PolarHBondContact CD2-OD1 2.84Å; H36-D38 IonicContact NE2-OD1 3.86Å; H36-D38 PolarHBondContact NE2-OD1 2.99Å; D38-V332 WeakPolarHBondContact O-CA 3.41Å; D38-E333 PolarHBondContact O-N 3.42Å
39R98.4Very high97.2Very high83 Ų8347.9 Ų47.931%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-137.5128.2-176.9-58.4-172171.6134.77.1111.1V37 Q57 C59 G60 E333V37-R39 WeakPolarHBondContact CG1-O 3.31Å; R39-Q57 VanDerWaalsContact CD-O 3.24Å; R39-Q57 WeakPolarHBondContact CD-O 3.4Å; R39-Q57 PolarHBondContact NH1-O 3.16Å; R39-C59 HydrophobicContact CB-CB 4.44Å; R39-G60 PolarHBondContact O-N 3.46Å; R39-E333 CarbonylContact C-O 3.19Å; R39-E333 WeakPolarHBondContact CA-O 3.36Å; R39-E333 HydrophobicContact CG-CB 4.07Å; R39-E333 IonicContact CZ-OE2 3.52Å; R39-E333 IonicContact NE-OE2 3.42Å; R39-E333 PolarHBondContact NE-OE2 3.46Å; R39-E333 IonicContact NH2-OE2 3.54Å
40I98.7Very high97.2Very high0 Ų047.7 Ų47.70%025%0.251CS..EExtended strand (participates in β ladder)trans-106.8123.4172.5-55.9174.8000107.8I6 V37 I42 L61 V63 F316 V332 E333 L334 L335I6-I40 HydrophobicContact CD1-CD1 4.32Å; I6-I40 HydrophobicContact CG2-CD1 3.66Å; V37-I40 HydrophobicContact CG1-CG1 3.85Å; I40-I42 HydrophobicContact CG2-CG1 4.31Å; I40-L61 CarbonylContact C-O 3.6Å; I40-L61 WeakPolarHBondContact CA-O 3.48Å; I40-L61 HydrophobicContact CD1-CD2 4.27Å; I40-L61 HydrophobicContact CG1-CB 4.35Å; I40-L61 HydrophobicContact CG1-CD2 4.2Å; I40-L61 HydrophobicContact CG2-CD2 4.33Å; I40-L61 HydrophobicContact CG2-CG 4.35Å; I40-V63 HydrophobicContact CG2-CB 4.48Å; I40-V63 HydrophobicContact CG2-CG2 3.66Å; I40-F316 HydrophobicContact CD1-CE1 3.9Å; I40-V332 HydrophobicContact CD1-CG1 3.68Å; I40-V332 HydrophobicContact CG1-CG1 3.7Å; I40-E333 PolarHBondContact N-O 3.25Å; I40-L334 HydrophobicContact CB-CD2 3.72Å; I40-L334 HydrophobicContact CD1-CD2 3.84Å; I40-L334 HydrophobicContact CG1-CD2 4.17Å; I40-L334 HydrophobicContact CG2-CD2 4.34Å; I40-L334 WeakPolarHBondContact O-CA 3.48Å; I40-L335 PolarHBondContact O-N 2.92Å
41F98.8Very high97.3Very high1 Ų142.6 Ų42.60%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-95.9136.4176.1-162.7-102000110.1V50 E53 A54 Q57 C59 L61 I62 V63 L335F41-V50 HydrophobicContact CE1-CG1 3.78Å; F41-E53 HydrophobicContact CE2-CG 3.97Å; F41-E53 HydrophobicContact CZ-CB 4.06Å; F41-E53 HydrophobicContact CZ-CG 3.71Å; F41-E53 WeakPolarHBondContact CZ-OE2 3.38Å; F41-A54 HydrophobicContact CB-CB 4.25Å; F41-A54 HydrophobicContact CD1-CB 3.6Å; F41-A54 HydrophobicContact CD2-CB 4.16Å; F41-A54 HydrophobicContact CE1-CB 3.87Å; F41-A54 HydrophobicContact CE2-CB 4.42Å; F41-A54 HydrophobicContact CG-CB 3.74Å; F41-A54 HydrophobicContact CZ-CB 4.26Å; F41-Q57 HydrophobicContact CE2-CG 4.42Å; F41-C59 HydrophobicContact CB-CB 3.78Å; F41-L61 PolarHBondContact N-O 3.18Å; F41-I62 HydrophobicContact CB-CG1 4.03Å; F41-I62 HydrophobicContact CD1-CG1 4.39Å; F41-I62 CarbonylContact O-C 3.49Å; F41-I62 VanDerWaalsContact O-CA 3.25Å; F41-I62 WeakPolarHBondContact O-CA 3.43Å; F41-V63 PolarHBondContact O-N 2.88Å; F41-L335 CarbonylContact C-O 3.55Å; F41-L335 WeakPolarHBondContact CA-O 3.3Å; F41-L335 HydrophobicContact CD2-CB 3.99Å
42I98.8Very high97.4Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-123.8130.8-171.6-61.4163.1000108.3I40 V63 F308 F312 I313 L334 L335 L336 S337I40-I42 HydrophobicContact CG2-CG1 4.31Å; I42-V63 WeakPolarHBondContact CA-O 3.45Å; I42-V63 HydrophobicContact CG1-CB 4.3Å; I42-F308 HydrophobicContact CG2-CB 3.92Å; I42-F308 HydrophobicContact CG2-CD1 3.33Å; I42-F308 HydrophobicContact CG2-CE1 4.04Å; I42-F308 HydrophobicContact CG2-CG 3.78Å; I42-F312 HydrophobicContact CD1-CD1 3.98Å; I42-F312 HydrophobicContact CD1-CE1 3.89Å; I42-F312 HydrophobicContact CG1-CE1 4.33Å; I42-I313 HydrophobicContact CD1-CD1 3.79Å; I42-I313 HydrophobicContact CD1-CG1 3.35Å; I42-L334 HydrophobicContact CD1-CB 4.09Å; I42-L334 HydrophobicContact CD1-CD2 4.47Å; I42-L335 WeakPolarHBondContact CB-O 3.25Å; I42-L335 PolarHBondContact N-O 3.26Å; I42-L336 HydrophobicContact CB-CD1 4.24Å; I42-L336 HydrophobicContact CG2-CD1 3.97Å; I42-S337 PolarHBondContact O-N 3.2Å
43T98.6Very high97.5Very high0 Ų043.1 Ų43.10%022%0.221CC..EExtended strand (participates in β ladder)trans-149.2156.2-178.8-170.10000110.5D45 L46 V50 I62 V63 S64 Y65 D340T43-D45 PolarHBondContact OG1-O 3.4Å; T43-L46 HydrophobicContact CG2-CB 4.24Å; T43-V50 HydrophobicContact CG2-CG1 3.96Å; T43-V50 WeakPolarHBondContact OG1-CG1 3.45Å; T43-I62 HydrophobicContact CG2-CG2 4.11Å; T43-V63 PolarHBondContact N-O 2.83Å; T43-S64 CarbonylContact O-C 3.55Å; T43-S64 WeakPolarHBondContact O-CA 3.4Å; T43-Y65 PolarHBondContact O-N 3.47Å; T43-D340 VanDerWaalsContact OG1-CB 3.31Å; T43-D340 WeakPolarHBondContact OG1-CB 3.43Å; T43-D340 PolarHBondContact OG1-OD2 2.74Å
44N98.1Very high97.8Very high1 Ų137.7 Ų37.71%0.00519%0.193CC..SBendtrans-74.5-58.3167.3-157.369.4000109.8Y65 H66 E304 R305 D340N44-Y65 WeakPolarHBondContact O-CB 3.46Å; N44-Y65 PolarHBondContact O-N 3.45Å; N44-Y65 VanDerWaalsContact O-N 3.17Å; N44-Y65 VanDerWaalsContact OD1-CD1 3.22Å; N44-Y65 WeakPolarHBondContact OD1-CD1 3.34Å; N44-H66 PolarHBondContact ND2-CE1 3.45Å; N44-H66 PolarHBondContact O-N 2.78Å; N44-E304 PolarHBondContact ND2-OE2 2.81Å; N44-E304 VanDerWaalsContact OD1-CB 3.24Å; N44-E304 WeakPolarHBondContact OD1-CB 3.3Å; N44-E304 PolarHBondContact OD1-OE2 2.77Å; N44-R305 HydrophobicContact CB-CG 3.57Å; N44-D340 WeakPolarHBondContact CA-OD2 3.46Å; N44-D340 WeakPolarHBondContact CB-OD2 3.41Å; N44-D340 PolarHBondContact N-OD2 2.77Å
45D98Very high98.1Very high46 Ų4634.2 Ų34.225%0.24617%0.168CC..SBendtrans-115.7123.6-178.1-69.5-73.2000110.3T43 T47 H66T43-D45 PolarHBondContact OG1-O 3.4Å; D45-T47 PolarHBondContact O-N 2.95Å; D45-H66 IonicContact OD1-CE1 2.79Å; D45-H66 IonicContact OD1-CG 3.68Å; D45-H66 IonicContact OD1-ND1 3.31Å; D45-H66 PolarHBondContact OD1-ND1 2.66Å; D45-H66 IonicContact OD2-ND1 3.68Å
46L98.5Very high98.2Very high7 Ų737.3 Ų37.34%0.03719%0.191CC..  trans-83.795.5172.2-175.957.7000109.6T43 V50 L51 I62 S64 P68 I85 V96T43-L46 HydrophobicContact CG2-CB 4.24Å; L46-V50 HydrophobicContact CD1-CB 4.38Å; L46-V50 HydrophobicContact CD1-CG1 3.89Å; L46-L51 HydrophobicContact CD1-CB 4.07Å; L46-I62 HydrophobicContact CD1-CD1 3.97Å; L46-I62 HydrophobicContact CD1-CG2 4.34Å; L46-I62 HydrophobicContact CD2-CD1 4.14Å; L46-I62 HydrophobicContact CD2-CG2 4.33Å; L46-S64 WeakPolarHBondContact CB-OG 3.17Å; L46-S64 PolarHBondContact N-OG 3.43Å; L46-P68 HydrophobicContact CD2-CB 4.4Å; L46-P68 HydrophobicContact CD2-CG 4.15Å; L46-I85 HydrophobicContact CD2-CG2 3.59Å; L46-I85 HydrophobicContact CG-CD1 4.45Å; L46-I85 HydrophobicContact CG-CG2 3.87Å; L46-I85 WeakPolarHBondContact O-CD1 3.49Å; L46-V96 HydrophobicContact CD2-CG1 4.36Å; L46-V96 HydrophobicContact CD2-CG2 4.19Å
47T98.2Very high98.4Very high50 Ų5036.6 Ų36.631%0.30719%0.188SC..  trans-95.2171.8170.570.60000111.4D45 Q49 V50 L51D45-T47 PolarHBondContact O-N 2.95Å; T47-Q49 VanDerWaalsContact C-N 3.3Å; T47-Q49 PolarHBondContact O-N 3.46Å; T47-V50 PolarHBondContact O-N 3.31Å; T47-V50 VanDerWaalsContact OG1-CG2 3.29Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.3Å; T47-V50 PolarHBondContact OG1-N 2.67Å; T47-L51 WeakPolarHBondContact O-CB 3.31Å; T47-L51 PolarHBondContact O-N 3.11Å
48E98.4Very high98.4Very high59 Ų5944.6 Ų44.628%0.27622%0.223SC..Hα-helixtrans-63-36.8177.3-64.3-170.3111.600112.3L51 D52 W81 R84 I85E48-L51 PolarHBondContact O-N 2.98Å; E48-D52 VanDerWaalsContact O-CG 3.31Å; E48-D52 PolarHBondContact O-N 3.16Å; E48-W81 HydrophobicContact CG-CB 4.43Å; E48-R84 WeakPolarHBondContact OE1-CB 3.35Å; E48-R84 IonicContact OE1-CZ 2.8Å; E48-R84 IonicContact OE1-NE 3.29Å; E48-R84 PolarHBondContact OE1-NE 2.99Å; E48-R84 IonicContact OE1-NH2 3.53Å; E48-R84 PolarHBondContact OE1-NH2 3.22Å; E48-R84 IonicContact OE2-CZ 2.81Å; E48-R84 IonicContact OE2-NE 3.7Å; E48-R84 IonicContact OE2-NH2 2.72Å; E48-R84 PolarHBondContact OE2-NH2 2.84Å; E48-I85 HydrophobicContact CG-CD1 4.28Å; E48-I85 HydrophobicContact CG-CG1 3.97Å
49Q98.2Very high98.4Very high114 Ų11440.4 Ų40.453%0.53320%0.2SC..Hα-helixtrans-68.3-41.5176.6-175-174.8-20.600111.7T47 L51 D52 E53 A339T47-Q49 VanDerWaalsContact C-N 3.3Å; T47-Q49 PolarHBondContact O-N 3.46Å; Q49-L51 VanDerWaalsContact C-N 3.28Å; Q49-L51 PolarHBondContact O-N 3.41Å; Q49-D52 WeakPolarHBondContact O-CB 3.11Å; Q49-D52 PolarHBondContact O-N 3.49Å; Q49-E53 PolarHBondContact O-N 3.23Å; Q49-E53 VanDerWaalsContact O-N 3.1Å; Q49-A339 HydrophobicContact CG-CB 4.12Å
50V98.7Very high98.4Very high1 Ų136.9 Ų36.91%0.00619%0.19CC..Hα-helixtrans-64.1-37.2174.5171.70000110.6F41 T43 L46 T47 E53 A54 A339 D340F41-V50 HydrophobicContact CE1-CG1 3.78Å; T43-V50 HydrophobicContact CG2-CG1 3.96Å; T43-V50 WeakPolarHBondContact OG1-CG1 3.45Å; L46-V50 HydrophobicContact CD1-CB 4.38Å; L46-V50 HydrophobicContact CD1-CG1 3.89Å; T47-V50 PolarHBondContact O-N 3.31Å; T47-V50 VanDerWaalsContact OG1-CG2 3.29Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.3Å; T47-V50 PolarHBondContact OG1-N 2.67Å; V50-E53 WeakPolarHBondContact O-CB 3.28Å; V50-E53 PolarHBondContact O-N 2.8Å; V50-A54 PolarHBondContact O-N 2.89Å; V50-A339 HydrophobicContact CG2-CB 4.09Å; V50-D340 HydrophobicContact CG2-CB 3.97Å
51L98.8Very high98.4Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-66.6-39.4174-179.759.6000112.4L46 T47 E48 Q49 E53 A54 I55 I62 I85 R88L46-L51 HydrophobicContact CD1-CB 4.07Å; T47-L51 WeakPolarHBondContact O-CB 3.31Å; T47-L51 PolarHBondContact O-N 3.11Å; E48-L51 PolarHBondContact O-N 2.98Å; Q49-L51 VanDerWaalsContact C-N 3.28Å; Q49-L51 PolarHBondContact O-N 3.41Å; L51-E53 VanDerWaalsContact C-N 3.28Å; L51-E53 PolarHBondContact O-N 3.41Å; L51-A54 PolarHBondContact O-N 3.14Å; L51-I55 HydrophobicContact CD1-CD1 4.03Å; L51-I55 HydrophobicContact CD1-CG1 4.1Å; L51-I55 HydrophobicContact CD2-CD1 4.48Å; L51-I55 HydrophobicContact CG-CD1 3.84Å; L51-I55 HydrophobicContact CG-CG1 4.38Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 2.85Å; L51-I62 HydrophobicContact CD1-CD1 3.89Å; L51-I85 HydrophobicContact CD2-CB 4.28Å; L51-I85 HydrophobicContact CD2-CG1 4.21Å; L51-I85 HydrophobicContact CD2-CG2 4.23Å; L51-R88 HydrophobicContact CD2-CB 3.64Å
52D98.8Very high98.4Very high78 Ų7836.9 Ų36.942%0.41719%0.19SC..Hα-helixtrans-58-43.6173.5-69.9-29.3000111.2E48 Q49 S56 R88E48-D52 VanDerWaalsContact O-CG 3.31Å; E48-D52 PolarHBondContact O-N 3.16Å; Q49-D52 WeakPolarHBondContact O-CB 3.11Å; Q49-D52 PolarHBondContact O-N 3.49Å; D52-S56 WeakPolarHBondContact O-CB 3.47Å; D52-S56 PolarHBondContact O-N 2.83Å; D52-R88 IonicContact OD1-CZ 3.67Å; D52-R88 IonicContact OD1-NH1 3.68Å; D52-R88 PolarHBondContact OD1-NH1 3.23Å; D52-R88 IonicContact OD1-NH2 3.37Å; D52-R88 PolarHBondContact OD1-NH2 3.05Å
53E98.8Very high98.4Very high35 Ų3536.9 Ų36.916%0.16419%0.19CC..Hα-helixtrans-59.3-51.9173.4-173.1-178.9-161.500111.1F41 Q49 V50 L51 I55 S56 Q57 S337 E338 A339F41-E53 HydrophobicContact CE2-CG 3.97Å; F41-E53 HydrophobicContact CZ-CB 4.06Å; F41-E53 HydrophobicContact CZ-CG 3.71Å; F41-E53 WeakPolarHBondContact CZ-OE2 3.38Å; Q49-E53 PolarHBondContact O-N 3.23Å; Q49-E53 VanDerWaalsContact O-N 3.1Å; V50-E53 WeakPolarHBondContact O-CB 3.28Å; V50-E53 PolarHBondContact O-N 2.8Å; L51-E53 VanDerWaalsContact C-N 3.28Å; L51-E53 PolarHBondContact O-N 3.41Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.03Å; E53-S56 WeakPolarHBondContact O-CB 3.36Å; E53-S56 PolarHBondContact O-N 3.08Å; E53-S56 VanDerWaalsContact O-N 3.11Å; E53-S56 PolarHBondContact O-OG 2.87Å; E53-Q57 WeakPolarHBondContact O-CG 3.42Å; E53-Q57 PolarHBondContact O-N 2.9Å; E53-S337 WeakPolarHBondContact OE2-CA 3.23Å; E53-S337 WeakPolarHBondContact OE2-CB 3.29Å; E53-S337 PolarHBondContact OE2-OG 3.05Å; E53-E338 PolarHBondContact OE1-N 3.15Å; E53-E338 PolarHBondContact OE2-N 3.18Å; E53-A339 HydrophobicContact CB-CB 4.38Å; E53-A339 WeakPolarHBondContact OE2-CB 3.48Å; E53-A339 PolarHBondContact OE2-N 3.04Å
54A98.7Very high98.5Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-58.9-41.2-179.400000113.3F41 V50 L51 Q57 K58 C59 I62F41-A54 HydrophobicContact CB-CB 4.25Å; F41-A54 HydrophobicContact CD1-CB 3.6Å; F41-A54 HydrophobicContact CD2-CB 4.16Å; F41-A54 HydrophobicContact CE1-CB 3.87Å; F41-A54 HydrophobicContact CE2-CB 4.42Å; F41-A54 HydrophobicContact CG-CB 3.74Å; F41-A54 HydrophobicContact CZ-CB 4.26Å; V50-A54 PolarHBondContact O-N 2.89Å; L51-A54 PolarHBondContact O-N 3.14Å; A54-Q57 PolarHBondContact O-N 3.21Å; A54-K58 PolarHBondContact O-N 2.79Å; A54-C59 PolarHBondContact O-N 3.29Å; A54-C59 VanDerWaalsContact O-N 3.16Å; A54-I62 HydrophobicContact CB-CD1 3.87Å; A54-I62 HydrophobicContact CB-CG1 4.1Å
55I98.7Very high98.5Very high38 Ų3836.9 Ų36.920%0.19519%0.19CC..Hα-helixtrans-64.9-44.7175.3-70.3166.2000110.2L51 E53 Q57 K58 N92 I94L51-I55 HydrophobicContact CD1-CD1 4.03Å; L51-I55 HydrophobicContact CD1-CG1 4.1Å; L51-I55 HydrophobicContact CD2-CD1 4.48Å; L51-I55 HydrophobicContact CG-CD1 3.84Å; L51-I55 HydrophobicContact CG-CG1 4.38Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 2.85Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.03Å; I55-Q57 PolarHBondContact O-N 3.43Å; I55-K58 WeakPolarHBondContact O-CA 3.37Å; I55-K58 PolarHBondContact O-N 2.82Å; I55-N92 HydrophobicContact CD1-CB 4.49Å; I55-N92 HydrophobicContact CG1-CB 4.25Å; I55-I94 HydrophobicContact CG1-CD1 3.74Å
56S98.5Very high98.5Very high78 Ų7836 Ų3655%0.54518%0.184SC..Hα-helixtrans-60.7-35178.479.90000112.3D52 E53 K58D52-S56 WeakPolarHBondContact O-CB 3.47Å; D52-S56 PolarHBondContact O-N 2.83Å; E53-S56 WeakPolarHBondContact O-CB 3.36Å; E53-S56 PolarHBondContact O-N 3.08Å; E53-S56 VanDerWaalsContact O-N 3.11Å; E53-S56 PolarHBondContact O-OG 2.87Å; S56-K58 PolarHBondContact O-N 2.88Å
57Q98.2Very high98.5Very high82 Ų8235.9 Ų35.938%0.38318%0.184SC..THydrogen-bonded Turntrans-79.6-1.9176-63.8-59.2-2700113.4R39 F41 E53 A54 I55 C59 L335R39-Q57 VanDerWaalsContact CD-O 3.24Å; R39-Q57 WeakPolarHBondContact CD-O 3.4Å; R39-Q57 PolarHBondContact NH1-O 3.16Å; F41-Q57 HydrophobicContact CE2-CG 4.42Å; E53-Q57 WeakPolarHBondContact O-CG 3.42Å; E53-Q57 PolarHBondContact O-N 2.9Å; A54-Q57 PolarHBondContact O-N 3.21Å; I55-Q57 PolarHBondContact O-N 3.43Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-C59 PolarHBondContact O-N 3.32Å; Q57-L335 HydrophobicContact CB-CD1 3.83Å; Q57-L335 HydrophobicContact CG-CD1 4.18Å
58K97.5Very high98.4Very high169 Ų16933.9 Ų33.974%0.73517%0.172SC*.THydrogen-bonded Turntrans56.145.2-179.5-53.1-179.3179.9-179.50112.6A54 I55 S56A54-K58 PolarHBondContact O-N 2.79Å; I55-K58 WeakPolarHBondContact O-CA 3.37Å; I55-K58 PolarHBondContact O-N 2.82Å; S56-K58 PolarHBondContact O-N 2.88Å
59C98.1Very high98.4Very high6 Ų632.4 Ų32.44%0.04117%0.166CC..  trans-76.9141-179.6-57.60000111.5R39 F41 A54 Q57 I94R39-C59 HydrophobicContact CB-CB 4.44Å; F41-C59 HydrophobicContact CB-CB 3.78Å; A54-C59 PolarHBondContact O-N 3.29Å; A54-C59 VanDerWaalsContact O-N 3.16Å; Q57-C59 VanDerWaalsContact C-N 3.34Å; Q57-C59 PolarHBondContact O-N 3.32Å; C59-I94 WeakPolarHBondContact O-CG1 3.44Å
60G98.2Very high98.3Very high10 Ų1031 Ų3110%0.10316%0.158CC..SBendtrans-94.7-16.2177.900000113.5H35 R39 G95H35-G60 PolarHBondContact NE2-O 2.89Å; R39-G60 PolarHBondContact O-N 3.46Å; G60-G95 PolarHBondContact O-N 2.94Å
61L98.8Very high98.1Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-146.2139.3178.6176.962.7000109.2L3 I6 L10 V37 I40 F41 G95 F97L3-L61 HydrophobicContact CD1-CD1 3.91Å; L3-L61 HydrophobicContact CD1-CD2 4.07Å; L3-L61 HydrophobicContact CD1-CG 4.4Å; I6-L61 HydrophobicContact CG2-CD2 3.56Å; L10-L61 HydrophobicContact CD1-CD2 3.88Å; V37-L61 HydrophobicContact CG1-CB 3.79Å; V37-L61 HydrophobicContact CG2-CB 4.13Å; I40-L61 CarbonylContact C-O 3.6Å; I40-L61 WeakPolarHBondContact CA-O 3.48Å; I40-L61 HydrophobicContact CD1-CD2 4.27Å; I40-L61 HydrophobicContact CG1-CB 4.35Å; I40-L61 HydrophobicContact CG1-CD2 4.2Å; I40-L61 HydrophobicContact CG2-CD2 4.33Å; I40-L61 HydrophobicContact CG2-CG 4.35Å; F41-L61 PolarHBondContact N-O 3.18Å; L61-G95 CarbonylContact C-O 3.58Å; L61-G95 WeakPolarHBondContact CA-O 3.38Å; L61-G95 WeakPolarHBondContact CD1-O 3.21Å; L61-F97 HydrophobicContact CD1-CB 4.27Å
62I98.9Very high98Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-109.3129.2167.3-63.5162.4000108.3F41 T43 L46 L51 A54 I94 G95 V96 F97F41-I62 HydrophobicContact CB-CG1 4.03Å; F41-I62 HydrophobicContact CD1-CG1 4.39Å; F41-I62 CarbonylContact O-C 3.49Å; F41-I62 VanDerWaalsContact O-CA 3.25Å; F41-I62 WeakPolarHBondContact O-CA 3.43Å; T43-I62 HydrophobicContact CG2-CG2 4.11Å; L46-I62 HydrophobicContact CD1-CD1 3.97Å; L46-I62 HydrophobicContact CD1-CG2 4.34Å; L46-I62 HydrophobicContact CD2-CD1 4.14Å; L46-I62 HydrophobicContact CD2-CG2 4.33Å; L51-I62 HydrophobicContact CD1-CD1 3.89Å; A54-I62 HydrophobicContact CB-CD1 3.87Å; A54-I62 HydrophobicContact CB-CG1 4.1Å; I62-I94 HydrophobicContact CD1-CG2 3.66Å; I62-I94 HydrophobicContact CG1-CG2 3.69Å; I62-G95 PolarHBondContact N-O 3.44Å; I62-V96 HydrophobicContact CB-CG2 4.28Å; I62-V96 CarbonylContact O-C 3.59Å; I62-V96 VanDerWaalsContact O-CA 3.31Å; I62-V96 WeakPolarHBondContact O-CA 3.33Å; I62-F97 PolarHBondContact O-N 3.3Å
63V98.8Very high97.8Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-97.9102.9162.8178.20000106.7L10 I40 F41 I42 T43 F97 P99 F312L10-V63 HydrophobicContact CD1-CG2 4Å; L10-V63 HydrophobicContact CD2-CG2 4.08Å; I40-V63 HydrophobicContact CG2-CB 4.48Å; I40-V63 HydrophobicContact CG2-CG2 3.66Å; F41-V63 PolarHBondContact O-N 2.88Å; I42-V63 WeakPolarHBondContact CA-O 3.45Å; I42-V63 HydrophobicContact CG1-CB 4.3Å; T43-V63 PolarHBondContact N-O 2.83Å; V63-F97 WeakPolarHBondContact CA-O 3.36Å; V63-F97 HydrophobicContact CG2-CB 4.49Å; V63-P99 HydrophobicContact CG1-CG 4.31Å; V63-F312 HydrophobicContact CG1-CE1 4.4Å; V63-F312 HydrophobicContact CG1-CZ 4.04Å
64S98.7Very high97.7Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-101.1121177.7-177.10000108.1T43 L46 H66 F97 S98 P99T43-S64 CarbonylContact O-C 3.55Å; T43-S64 WeakPolarHBondContact O-CA 3.4Å; L46-S64 WeakPolarHBondContact CB-OG 3.17Å; L46-S64 PolarHBondContact N-OG 3.43Å; S64-H66 WeakPolarHBondContact CB-O 3.45Å; S64-H66 PolarHBondContact O-N 2.89Å; S64-H66 PolarHBondContact OG-O 2.93Å; S64-F97 PolarHBondContact N-O 2.72Å; S64-S98 VanDerWaalsContact O-CA 3.28Å; S64-S98 WeakPolarHBondContact O-CA 3.4Å; S64-S98 PolarHBondContact O-OG 3.43Å; S64-P99 WeakPolarHBondContact O-CD 3.45Å
65Y98.6Very high97.6Very high1 Ų154.3 Ų54.30%0.00428%0.279CS..SBendtrans-53.6-54.2179.9179.4-120000111.5T43 N44 S98 P99 H100 L103 D104 I110 E304 F308T43-Y65 PolarHBondContact O-N 3.47Å; N44-Y65 WeakPolarHBondContact O-CB 3.46Å; N44-Y65 PolarHBondContact O-N 3.45Å; N44-Y65 VanDerWaalsContact O-N 3.17Å; N44-Y65 VanDerWaalsContact OD1-CD1 3.22Å; N44-Y65 WeakPolarHBondContact OD1-CD1 3.34Å; Y65-S98 PolarHBondContact O-OG 3.37Å; Y65-P99 HydrophobicContact CD2-CG 4.3Å; Y65-H100 AromaticContact CE1-CD2 3.99Å; Y65-H100 AromaticContact CZ-CD2 3.87Å; Y65-H100 VanDerWaalsContact O-CA 3.3Å; Y65-H100 WeakPolarHBondContact O-CA 3.46Å; Y65-H100 WeakPolarHBondContact O-CB 3.45Å; Y65-H100 PolarHBondContact O-N 3.32Å; Y65-L103 HydrophobicContact CD2-CD2 4.41Å; Y65-L103 HydrophobicContact CE2-CD2 4.42Å; Y65-D104 PolarHBondContact OH-OD1 2.85Å; Y65-D104 PolarHBondContact OH-OD2 3.06Å; Y65-I110 HydrophobicContact CD2-CD1 3.76Å; Y65-I110 HydrophobicContact CE1-CD1 4.4Å; Y65-I110 HydrophobicContact CE2-CD1 3.18Å; Y65-E304 HydrophobicContact CD1-CB 4.4Å; Y65-E304 HydrophobicContact CD1-CG 4.43Å; Y65-E304 HydrophobicContact CE1-CB 4.29Å; Y65-E304 HydrophobicContact CE1-CG 3.88Å; Y65-F308 VanDerWaalsContact CB-CZ 3.5Å; Y65-F308 HydrophobicContact CD2-CE2 4.01Å; Y65-F308 AromaticContact CD2-CZ 3.69Å; Y65-F308 HydrophobicContact CD2-CZ 3.69Å; Y65-F308 AromaticContact CG-CE2 3.88Å; Y65-F308 HydrophobicContact CG-CE2 3.88Å; Y65-F308 AromaticContact CG-CZ 3.87Å; Y65-F308 HydrophobicContact CG-CZ 3.87Å
66H98Very high97.6Very high28 Ų2857 Ų5713%0.1329%0.293CS..SBendtrans-84.2138.9173.8-67.5137.9000110.9N44 D45 S64 P68 H100 H300 E304N44-H66 PolarHBondContact ND2-CE1 3.45Å; N44-H66 PolarHBondContact O-N 2.78Å; D45-H66 IonicContact OD1-CE1 2.79Å; D45-H66 IonicContact OD1-CG 3.68Å; D45-H66 IonicContact OD1-ND1 3.31Å; D45-H66 PolarHBondContact OD1-ND1 2.66Å; D45-H66 IonicContact OD2-ND1 3.68Å; S64-H66 WeakPolarHBondContact CB-O 3.45Å; S64-H66 PolarHBondContact O-N 2.89Å; S64-H66 PolarHBondContact OG-O 2.93Å; H66-P68 VanDerWaalsContact O-CD 3.28Å; H66-P68 WeakPolarHBondContact O-CD 3.36Å; H66-H100 AromaticContact CD2-CD2 3.59Å; H66-H100 AromaticContact CD2-NE2 3.54Å; H66-H300 AromaticContact CE1-CD2 3.74Å; H66-H300 AromaticContact CE1-NE2 3.43Å; H66-H300 PolarHBondContact CE1-NE2 3.16Å; H66-H300 AromaticContact NE2-NE2 3.56Å; H66-E304 IonicContact CE1-OE2 2.67Å; H66-E304 PolarHBondContact CE1-OE2 3.14Å; H66-E304 VanDerWaalsContact CE1-OE2 3.24Å; H66-E304 IonicContact NE2-OE1 2.81Å; H66-E304 IonicContact NE2-OE2 3.59Å
67P98.3Very high97.5Very high5 Ų555.7 Ų55.73%0.03228%0.282CS..  trans-73.3119.1-179.628.8-36000111N24 L28 I69 F70 S98N24-P67 VanDerWaalsContact O-CB 3.24Å; N24-P67 WeakPolarHBondContact O-CB 3.35Å; L28-P67 HydrophobicContact CD1-CB 3.49Å; L28-P67 VanDerWaalsContact CD1-CB 3.49Å; P67-I69 PolarHBondContact O-N 2.71Å; P67-F70 HydrophobicContact CG-CB 4.26Å; P67-F70 HydrophobicContact CG-CD2 3.66Å; P67-F70 HydrophobicContact CG-CG 4.45Å; P67-F70 PolarHBondContact O-N 3.08Å; P67-S98 WeakPolarHBondContact CA-OG 3.31Å; P67-S98 WeakPolarHBondContact CB-OG 3.25Å; P67-S98 WeakPolarHBondContact CD-OG 3.17Å
68P97.5Very high97.5Very high8 Ų856.6 Ų56.65%0.05229%0.286CS..SBendtrans-64.2-33.2174.524.8-33.7000111.4L46 H66 F70 K82 I85 V96L46-P68 HydrophobicContact CD2-CB 4.4Å; L46-P68 HydrophobicContact CD2-CG 4.15Å; H66-P68 VanDerWaalsContact O-CD 3.28Å; H66-P68 WeakPolarHBondContact O-CD 3.36Å; P68-F70 PolarHBondContact O-N 2.83Å; P68-K82 WeakPolarHBondContact O-CD 3.33Å; P68-I85 HydrophobicContact CB-CG2 4.48Å; P68-V96 HydrophobicContact CG-CG1 3.86Å
69I98.1Very high97.5Very high28 Ų2856.6 Ų56.614%0.14429%0.289CS..  trans-93.880.2167.9-52.1-178.7000108.1N24 I29 P67 L73 V86N24-I69 PolarHBondContact ND2-O 3.3Å; I29-I69 HydrophobicContact CD1-CD1 4.35Å; I29-I69 HydrophobicContact CG1-CD1 3.89Å; P67-I69 PolarHBondContact O-N 2.71Å; I69-L73 HydrophobicContact CD1-CD1 4.16Å; I69-L73 HydrophobicContact CG1-CD1 4Å; I69-L73 HydrophobicContact CG2-CD1 4.08Å; I69-L73 HydrophobicContact CG2-CG 4.16Å; I69-V86 HydrophobicContact CD1-CG1 4.44Å; I69-V86 HydrophobicContact CD1-CG2 3.93Å; I69-V86 HydrophobicContact CG1-CG2 3.78Å
70F95.9Very high97.5Very high85 Ų8560.3 Ų60.337%0.37331%0.305SS..  trans-82.5-45.5177.3-176.6-113.8000112.2W22 P67 P68W22-F70 HydrophobicContact CE3-CE2 4.02Å; W22-F70 AromaticContact CE3-CZ 3.94Å; W22-F70 HydrophobicContact CE3-CZ 3.94Å; W22-F70 AromaticContact CZ3-CE2 3.77Å; W22-F70 HydrophobicContact CZ3-CE2 3.77Å; W22-F70 AromaticContact CZ3-CZ 3.87Å; W22-F70 HydrophobicContact CZ3-CZ 3.87Å; P67-F70 HydrophobicContact CG-CB 4.26Å; P67-F70 HydrophobicContact CG-CD2 3.66Å; P67-F70 HydrophobicContact CG-CG 4.45Å; P67-F70 PolarHBondContact O-N 3.08Å; P68-F70 PolarHBondContact O-N 2.83Å
71S94.9Very high97.4Very high77 Ų7764.4 Ų64.454%0.53832%0.318SS..SBendtrans-105.6150.7177.5-550000110.8L73S71-L73 PolarHBondContact O-N 2.94Å
72P95.5Very high97.3Very high109 Ų10967.4 Ų67.471%0.70833%0.331SS*.  trans-55.7121.9178.2-2734.8000113
73L95.2Very high97.3Very high68 Ų6868.8 Ų68.836%0.35634%0.337SS..  trans-80.4124.5175.7-63172.7000110I69 S71 L76 E83 V86I69-L73 HydrophobicContact CD1-CD1 4.16Å; I69-L73 HydrophobicContact CG1-CD1 4Å; I69-L73 HydrophobicContact CG2-CD1 4.08Å; I69-L73 HydrophobicContact CG2-CG 4.16Å; S71-L73 PolarHBondContact O-N 2.94Å; L73-L76 HydrophobicContact CB-CD2 4.48Å; L73-L76 HydrophobicContact CD1-CD2 3.66Å; L73-E83 HydrophobicContact CD2-CG 4.32Å; L73-V86 HydrophobicContact CD1-CG2 4.02Å
74K96.8Very high97.2Very high189 Ų18971.7 Ų71.782%0.82235%0.348SS*.SBendtrans-92.1-21.3175.7-62.9-59-176-173.80113.3
75K97.3Very high97.2Very high159 Ų15971.7 Ų71.769%0.69135%0.348SS*.  trans-146.2153.8179.3-61.2-177.5-178.7178.10108.3T77K75-T77 HydrophobicContact CB-CG2 4.18Å
76L97.2Very high97.2Very high95 Ų9572 Ų7250%0.49735%0.35SS..  trans-121.9107.7170.2-69.1174.9000107.8L73 V86 I87L73-L76 HydrophobicContact CB-CD2 4.48Å; L73-L76 HydrophobicContact CD1-CD2 3.66Å; L76-V86 HydrophobicContact CD1-CG1 4.26Å; L76-V86 HydrophobicContact CD2-CB 4.1Å; L76-V86 HydrophobicContact CD2-CG1 3.94Å; L76-I87 HydrophobicContact CB-CD1 4.38Å; L76-I87 HydrophobicContact CB-CG1 4.28Å
77T98Very high97.2Very high51 Ų5172.1 Ų72.131%0.31335%0.351SS..  trans-137.8176.1-176.373.20000110K75 Q79 E83 I87K75-T77 HydrophobicContact CB-CG2 4.18Å; T77-Q79 VanDerWaalsContact C-N 3.26Å; T77-Q79 PolarHBondContact O-N 3.2Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.26Å; T77-Q79 PolarHBondContact OG1-N 3.49Å; T77-E83 WeakPolarHBondContact CA-OE2 3.36Å; T77-E83 WeakPolarHBondContact CB-OE2 3.45Å; T77-E83 PolarHBondContact N-OE2 3.33Å; T77-E83 WeakPolarHBondContact O-CB 3.36Å; T77-E83 PolarHBondContact OG1-OE2 3.34Å; T77-I87 WeakPolarHBondContact O-CD1 3.29Å
78Q97.7Very high97.3Very high101 Ų10174.9 Ų74.947%0.47236%0.361SS..SBendtrans-83.73.1176.9-63.3-66.8-42.400113.7R84Q78-R84 HydrophobicContact CB-CG 4.39Å; Q78-R84 WeakPolarHBondContact O-CD 3.37Å; Q78-R84 PolarHBondContact O-NH1 3.02Å
79Q97.3Very high97.3Very high168 Ų16874.5 Ų74.579%0.78536%0.359SS*.SBendtrans-74.7-46.8-169.7-64.5-62.7-32.200113.1T77 R84T77-Q79 VanDerWaalsContact C-N 3.26Å; T77-Q79 PolarHBondContact O-N 3.2Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.26Å; T77-Q79 PolarHBondContact OG1-N 3.49Å; Q79-R84 PolarHBondContact O-NH1 3.41Å
80H96.9Very high97.3Very high84 Ų8477.2 Ų77.239%0.38937%0.373SS..SBendtrans-102.2140.1179.7-167.3-90.9000111.2K82 E83 R84H80-K82 VanDerWaalsContact C-N 3.32Å; H80-K82 PolarHBondContact ND1-N 3.09Å; H80-K82 PolarHBondContact O-N 3.4Å; H80-E83 HydrophobicContact CB-CG 4.13Å; H80-E83 VanDerWaalsContact CB-OE1 3.3Å; H80-E83 WeakPolarHBondContact CB-OE1 3.4Å; H80-E83 WeakPolarHBondContact O-CB 3.16Å; H80-E83 PolarHBondContact O-N 3.24Å; H80-R84 PolarHBondContact O-N 3.14Å
81W96.9Very high97.4Very high97 Ų9779.7 Ų79.737%0.36739%0.385SS..Hα-helixtrans-60.1-38.8-176.168-88000113E48 E83 R84 I85E48-W81 HydrophobicContact CG-CB 4.43Å; W81-E83 VanDerWaalsContact C-N 3.31Å; W81-E83 PolarHBondContact O-N 3.49Å; W81-R84 WeakPolarHBondContact O-CB 3.47Å; W81-R84 PolarHBondContact O-N 2.94Å; W81-I85 HydrophobicContact CE3-CD1 3.47Å; W81-I85 VanDerWaalsContact CE3-CD1 3.47Å; W81-I85 HydrophobicContact CE3-CG1 4.45Å; W81-I85 HydrophobicContact CZ3-CD1 3.5Å; W81-I85 VanDerWaalsContact CZ3-CD1 3.5Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.89Å
82K96.9Very high97.5Very high62 Ų6279.5 Ų79.527%0.2738%0.379SS..Hα-helixtrans-61.4-37173.4-67.4-177.8164.5-160.40112.6P68 H80 I85 V86P68-K82 WeakPolarHBondContact O-CD 3.33Å; H80-K82 VanDerWaalsContact C-N 3.32Å; H80-K82 PolarHBondContact ND1-N 3.09Å; H80-K82 PolarHBondContact O-N 3.4Å; K82-I85 PolarHBondContact O-N 3.49Å; K82-V86 VanDerWaalsContact O-CG2 3.27Å; K82-V86 WeakPolarHBondContact O-CG2 3.33Å; K82-V86 PolarHBondContact O-N 2.91Å; K82-V86 VanDerWaalsContact O-N 3.13Å
83E98.1Very high97.7Very high30 Ų3080 Ų8014%0.1437%0.369CS..Hα-helixtrans-67.1-41.5175.3-64.6172.3-12500110.9L73 T77 H80 W81 I85 V86 I87L73-E83 HydrophobicContact CD2-CG 4.32Å; T77-E83 WeakPolarHBondContact CA-OE2 3.36Å; T77-E83 WeakPolarHBondContact CB-OE2 3.45Å; T77-E83 PolarHBondContact N-OE2 3.33Å; T77-E83 WeakPolarHBondContact O-CB 3.36Å; T77-E83 PolarHBondContact OG1-OE2 3.34Å; H80-E83 HydrophobicContact CB-CG 4.13Å; H80-E83 VanDerWaalsContact CB-OE1 3.3Å; H80-E83 WeakPolarHBondContact CB-OE1 3.4Å; H80-E83 WeakPolarHBondContact O-CB 3.16Å; H80-E83 PolarHBondContact O-N 3.24Å; W81-E83 VanDerWaalsContact C-N 3.31Å; W81-E83 PolarHBondContact O-N 3.49Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 2.94Å; E83-V86 PolarHBondContact O-N 2.85Å; E83-I87 VanDerWaalsContact O-CG1 3.31Å; E83-I87 WeakPolarHBondContact O-CG1 3.47Å; E83-I87 PolarHBondContact O-N 2.87Å
84R98.4Very high97.8Very high60 Ų6076.9 Ų76.923%0.22635%0.353CS..Hα-helixtrans-60.1-41.2174.7-65.6-164.1-63.9-87.50.8112.3E48 Q78 Q79 H80 W81 I87 R88E48-R84 WeakPolarHBondContact OE1-CB 3.35Å; E48-R84 IonicContact OE1-CZ 2.8Å; E48-R84 IonicContact OE1-NE 3.29Å; E48-R84 PolarHBondContact OE1-NE 2.99Å; E48-R84 IonicContact OE1-NH2 3.53Å; E48-R84 PolarHBondContact OE1-NH2 3.22Å; E48-R84 IonicContact OE2-CZ 2.81Å; E48-R84 IonicContact OE2-NE 3.7Å; E48-R84 IonicContact OE2-NH2 2.72Å; E48-R84 PolarHBondContact OE2-NH2 2.84Å; Q78-R84 HydrophobicContact CB-CG 4.39Å; Q78-R84 WeakPolarHBondContact O-CD 3.37Å; Q78-R84 PolarHBondContact O-NH1 3.02Å; Q79-R84 PolarHBondContact O-NH1 3.41Å; H80-R84 PolarHBondContact O-N 3.14Å; W81-R84 WeakPolarHBondContact O-CB 3.47Å; W81-R84 PolarHBondContact O-N 2.94Å; R84-I87 PolarHBondContact O-N 3.36Å; R84-R88 VanDerWaalsContact O-CB 3.3Å; R84-R88 WeakPolarHBondContact O-CB 3.28Å; R84-R88 VanDerWaalsContact O-CG 3.26Å; R84-R88 WeakPolarHBondContact O-CG 3.46Å; R84-R88 PolarHBondContact O-N 3.4Å
85I98.6Very high97.9Very high0 Ų067.9 Ų67.90%031%0.314CS..Hα-helixtrans-58.3-49.5173.6-72.4176.4000110.9L46 E48 L51 P68 W81 K82 E83 I87 R88 C89L46-I85 HydrophobicContact CD2-CG2 3.59Å; L46-I85 HydrophobicContact CG-CD1 4.45Å; L46-I85 HydrophobicContact CG-CG2 3.87Å; L46-I85 WeakPolarHBondContact O-CD1 3.49Å; E48-I85 HydrophobicContact CG-CD1 4.28Å; E48-I85 HydrophobicContact CG-CG1 3.97Å; L51-I85 HydrophobicContact CD2-CB 4.28Å; L51-I85 HydrophobicContact CD2-CG1 4.21Å; L51-I85 HydrophobicContact CD2-CG2 4.23Å; P68-I85 HydrophobicContact CB-CG2 4.48Å; W81-I85 HydrophobicContact CE3-CD1 3.47Å; W81-I85 VanDerWaalsContact CE3-CD1 3.47Å; W81-I85 HydrophobicContact CE3-CG1 4.45Å; W81-I85 HydrophobicContact CZ3-CD1 3.5Å; W81-I85 VanDerWaalsContact CZ3-CD1 3.5Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 2.89Å; K82-I85 PolarHBondContact O-N 3.49Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 2.94Å; I85-I87 PolarHBondContact O-N 2.9Å; I85-R88 PolarHBondContact O-N 2.81Å; I85-C89 WeakPolarHBondContact O-CB 3.38Å; I85-C89 PolarHBondContact O-N 3.06Å; I85-C89 PolarHBondContact O-SG 3.28Å
86V98.5Very high98Very high9 Ų960.3 Ų60.36%0.05528%0.281CS..Hα-helixtrans-60.4-48.3179.7178.90000111.1I29 I69 L73 L76 K82 E83 R88 C89 I90I29-V86 HydrophobicContact CD1-CB 4.09Å; I29-V86 HydrophobicContact CD1-CG1 3.94Å; I29-V86 HydrophobicContact CD1-CG2 3.89Å; I29-V86 HydrophobicContact CG1-CG1 4.38Å; I69-V86 HydrophobicContact CD1-CG1 4.44Å; I69-V86 HydrophobicContact CD1-CG2 3.93Å; I69-V86 HydrophobicContact CG1-CG2 3.78Å; L73-V86 HydrophobicContact CD1-CG2 4.02Å; L76-V86 HydrophobicContact CD1-CG1 4.26Å; L76-V86 HydrophobicContact CD2-CB 4.1Å; L76-V86 HydrophobicContact CD2-CG1 3.94Å; K82-V86 VanDerWaalsContact O-CG2 3.27Å; K82-V86 WeakPolarHBondContact O-CG2 3.33Å; K82-V86 PolarHBondContact O-N 2.91Å; K82-V86 VanDerWaalsContact O-N 3.13Å; E83-V86 PolarHBondContact O-N 2.85Å; V86-R88 PolarHBondContact O-N 3.02Å; V86-C89 PolarHBondContact O-N 3.33Å; V86-I90 WeakPolarHBondContact O-CG1 3.26Å; V86-I90 PolarHBondContact O-N 2.89Å
87I98.5Very high98.1Very high29 Ų2955.8 Ų55.815%0.14926%0.258CS..Hα-helixtrans-58.2-49.7179.3-68.8165.1000110.4L76 T77 E83 R84 I85 C89 I90 E91L76-I87 HydrophobicContact CB-CD1 4.38Å; L76-I87 HydrophobicContact CB-CG1 4.28Å; T77-I87 WeakPolarHBondContact O-CD1 3.29Å; E83-I87 VanDerWaalsContact O-CG1 3.31Å; E83-I87 WeakPolarHBondContact O-CG1 3.47Å; E83-I87 PolarHBondContact O-N 2.87Å; R84-I87 PolarHBondContact O-N 3.36Å; I85-I87 PolarHBondContact O-N 2.9Å; I87-C89 PolarHBondContact O-N 3.04Å; I87-I90 PolarHBondContact O-N 3.2Å; I87-E91 HydrophobicContact CG2-CG 4.26Å; I87-E91 WeakPolarHBondContact O-CG 3.45Å; I87-E91 PolarHBondContact O-N 3Å
88R98.5Very high98.1Very high63 Ų6353.4 Ų53.424%0.23824%0.243CC..Hα-helixtrans-66.2-34.8-179.1-72.3-176.668.1-164.1-1.5112.6L51 D52 R84 I85 V86 N92L51-R88 HydrophobicContact CD2-CB 3.64Å; D52-R88 IonicContact OD1-CZ 3.67Å; D52-R88 IonicContact OD1-NH1 3.68Å; D52-R88 PolarHBondContact OD1-NH1 3.23Å; D52-R88 IonicContact OD1-NH2 3.37Å; D52-R88 PolarHBondContact OD1-NH2 3.05Å; R84-R88 VanDerWaalsContact O-CB 3.3Å; R84-R88 WeakPolarHBondContact O-CB 3.28Å; R84-R88 VanDerWaalsContact O-CG 3.26Å; R84-R88 WeakPolarHBondContact O-CG 3.46Å; R84-R88 PolarHBondContact O-N 3.4Å; I85-R88 PolarHBondContact O-N 2.81Å; V86-R88 PolarHBondContact O-N 3.02Å; R88-N92 WeakPolarHBondContact O-CB 3.14Å; R88-N92 PolarHBondContact O-N 2.99Å; R88-N92 PolarHBondContact O-ND2 3.25Å
89C98.7Very high98.1Very high0 Ų048.7 Ų48.70%022%0.221CC..Hα-helixtrans-60.5-47.2171.9-69.70000110.9I29 I85 V86 I87 N92 K93 I94 V96I29-C89 HydrophobicContact CD1-CB 4.1Å; I29-C89 HydrophobicContact CG2-CB 4.17Å; I85-C89 WeakPolarHBondContact O-CB 3.38Å; I85-C89 PolarHBondContact O-N 3.06Å; I85-C89 PolarHBondContact O-SG 3.28Å; V86-C89 PolarHBondContact O-N 3.33Å; I87-C89 PolarHBondContact O-N 3.04Å; C89-N92 CarbonylContact O-C 3.58Å; C89-N92 PolarHBondContact O-N 2.61Å; C89-K93 PolarHBondContact O-N 2.96Å; C89-I94 HydrophobicContact CB-CB 4.4Å; C89-I94 PolarHBondContact O-N 3.26Å; C89-V96 HydrophobicContact CB-CG2 4.44Å
90I97.9Very high98.1Very high85 Ų8541.8 Ų41.844%0.43619%0.189SC..Hα-helixtrans-63.1-46.6177.9-66.4-63.9000111.6I29 V86 I87 N92 K93I29-I90 HydrophobicContact CG2-CD1 3.53Å; I29-I90 HydrophobicContact CG2-CG1 4.08Å; V86-I90 WeakPolarHBondContact O-CG1 3.26Å; V86-I90 PolarHBondContact O-N 2.89Å; I87-I90 PolarHBondContact O-N 3.2Å; I90-N92 PolarHBondContact O-N 3.34Å; I90-K93 PolarHBondContact O-N 3.44Å
91E97.5Very high98Very high137 Ų13738 Ų3864%0.6417%0.172SC*.Hα-helixtrans-59.4-34.2178.6-73.8174.2163.400112.6I87I87-E91 HydrophobicContact CG2-CG 4.26Å; I87-E91 WeakPolarHBondContact O-CG 3.45Å; I87-E91 PolarHBondContact O-N 3Å
92N98.2Very high97.9Very high74 Ų7433.4 Ų33.440%0.39615%0.154SC..THydrogen-bonded Turntrans-94.87179.3-69.3-88000113.2I55 R88 C89 I90 I94I55-N92 HydrophobicContact CD1-CB 4.49Å; I55-N92 HydrophobicContact CG1-CB 4.25Å; R88-N92 WeakPolarHBondContact O-CB 3.14Å; R88-N92 PolarHBondContact O-N 2.99Å; R88-N92 PolarHBondContact O-ND2 3.25Å; C89-N92 CarbonylContact O-C 3.58Å; C89-N92 PolarHBondContact O-N 2.61Å; I90-N92 PolarHBondContact O-N 3.34Å; N92-I94 HydrophobicContact CB-CD1 3.9Å; N92-I94 HydrophobicContact CB-CG1 3.87Å; N92-I94 WeakPolarHBondContact O-CG1 3.47Å; N92-I94 PolarHBondContact O-N 2.92Å
93K97.6Very high97.8Very high118 Ų11830.5 Ų30.551%0.51314%0.141SC..THydrogen-bonded Turntrans50.951.1-175-65.1-168.4168.1-153.50113.1P31 H35 C89 I90P31-K93 HydrophobicContact CB-CB 4.27Å; H35-K93 PolarHBondContact CE1-O 3.35Å; H35-K93 PolarHBondContact NE2-O 3.1Å; C89-K93 PolarHBondContact O-N 2.96Å; I90-K93 PolarHBondContact O-N 3.44Å
94I98.7Very high97.7Very high3 Ų329.8 Ų29.82%0.01514%0.139CC..  trans-110.2121.4178.6-52.6-173.6000108.6P31 I55 C59 I62 C89 N92P31-I94 VanDerWaalsContact CG-C 3.5Å; I55-I94 HydrophobicContact CG1-CD1 3.74Å; C59-I94 WeakPolarHBondContact O-CG1 3.44Å; I62-I94 HydrophobicContact CD1-CG2 3.66Å; I62-I94 HydrophobicContact CG1-CG2 3.69Å; C89-I94 HydrophobicContact CB-CB 4.4Å; C89-I94 PolarHBondContact O-N 3.26Å; N92-I94 HydrophobicContact CB-CD1 3.9Å; N92-I94 HydrophobicContact CB-CG1 3.87Å; N92-I94 WeakPolarHBondContact O-CG1 3.47Å; N92-I94 PolarHBondContact O-N 2.92Å
95G98.7Very high97.5Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-75156.5170.500000111.5I29 G60 L61 I62I29-G95 CarbonylContact O-C 3.57Å; I29-G95 WeakPolarHBondContact O-CA 3.43Å; G60-G95 PolarHBondContact O-N 2.94Å; L61-G95 CarbonylContact C-O 3.58Å; L61-G95 WeakPolarHBondContact CA-O 3.38Å; L61-G95 WeakPolarHBondContact CD1-O 3.21Å; I62-G95 PolarHBondContact N-O 3.44Å
96V98.9Very high97.1Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-132.4123.5173.3-175.50000110.4L28 I29 L46 I62 P68 C89L28-V96 PolarHBondContact N-O 3.44Å; I29-V96 HydrophobicContact CB-CB 3.91Å; I29-V96 HydrophobicContact CB-CG2 4.01Å; I29-V96 HydrophobicContact CD1-CB 4.1Å; I29-V96 HydrophobicContact CD1-CG2 3.74Å; I29-V96 HydrophobicContact CG1-CB 4.09Å; I29-V96 HydrophobicContact CG1-CG2 4.2Å; I29-V96 PolarHBondContact N-O 2.65Å; I29-V96 PolarHBondContact O-N 2.79Å; L46-V96 HydrophobicContact CD2-CG1 4.36Å; L46-V96 HydrophobicContact CD2-CG2 4.19Å; I62-V96 HydrophobicContact CB-CG2 4.28Å; I62-V96 CarbonylContact O-C 3.59Å; I62-V96 VanDerWaalsContact O-CA 3.31Å; I62-V96 WeakPolarHBondContact O-CA 3.33Å; P68-V96 HydrophobicContact CG-CG1 3.86Å; C89-V96 HydrophobicContact CB-CG2 4.44Å
97F98.8Very high96.6Very high1 Ų127.3 Ų27.30%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-113.1141.5174.4-175.8-82.4000110.2V7 L10 D11 C14 G26 L27 L61 I62 V63 S64 P99V7-F97 HydrophobicContact CG1-CD2 4.49Å; V7-F97 HydrophobicContact CG1-CE2 4.4Å; L10-F97 HydrophobicContact CB-CD1 4.26Å; L10-F97 HydrophobicContact CB-CD2 4.17Å; L10-F97 HydrophobicContact CB-CE1 3.93Å; L10-F97 HydrophobicContact CB-CE2 3.8Å; L10-F97 HydrophobicContact CB-CG 4.39Å; L10-F97 HydrophobicContact CB-CZ 3.69Å; L10-F97 HydrophobicContact CD1-CB 4.03Å; L10-F97 HydrophobicContact CD1-CD1 4.02Å; L10-F97 HydrophobicContact CD1-CD2 4Å; L10-F97 HydrophobicContact CD1-CE2 4.48Å; L10-F97 HydrophobicContact CD1-CG 3.75Å; D11-F97 VanDerWaalsContact OD1-CE2 3.26Å; D11-F97 WeakPolarHBondContact OD1-CE2 3.05Å; D11-F97 WeakPolarHBondContact OD1-CZ 3.25Å; C14-F97 HydrophobicContact CB-CE1 4.3Å; C14-F97 HydrophobicContact CB-CZ 4.47Å; G26-F97 VanDerWaalsContact C-CD2 3.41Å; G26-F97 CarbonylContact O-C 3.54Å; G26-F97 VanDerWaalsContact O-CA 3.28Å; G26-F97 WeakPolarHBondContact O-CA 3.43Å; L27-F97 HydrophobicContact CB-CD2 4.43Å; L61-F97 HydrophobicContact CD1-CB 4.27Å; I62-F97 PolarHBondContact O-N 3.3Å; V63-F97 WeakPolarHBondContact CA-O 3.36Å; V63-F97 HydrophobicContact CG2-CB 4.49Å; S64-F97 PolarHBondContact N-O 2.72Å; F97-P99 HydrophobicContact CE1-CB 4.14Å
98S98.7Very high96.2Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-127.7115.4178.7-171.90000112.1V25 G26 S64 Y65 P67V25-S98 CarbonylContact C-O 3.56Å; V25-S98 VanDerWaalsContact CA-O 3.26Å; V25-S98 WeakPolarHBondContact CA-O 3.48Å; V25-S98 WeakPolarHBondContact CB-O 3.36Å; G26-S98 PolarHBondContact N-O 2.61Å; G26-S98 PolarHBondContact O-N 2.76Å; S64-S98 VanDerWaalsContact O-CA 3.28Å; S64-S98 WeakPolarHBondContact O-CA 3.4Å; S64-S98 PolarHBondContact O-OG 3.43Å; Y65-S98 PolarHBondContact O-OG 3.37Å; P67-S98 WeakPolarHBondContact CA-OG 3.31Å; P67-S98 WeakPolarHBondContact CB-OG 3.25Å; P67-S98 WeakPolarHBondContact CD-OG 3.17Å
99P97.8Very high96Very high3 Ų324.5 Ų24.52%0.01913%0.127CC..  trans-83.6-37.5178.333-33.9000113.6C14 V63 S64 Y65 F97 T101 G102 L103C14-P99 HydrophobicContact CB-CB 3.79Å; C14-P99 VanDerWaalsContact SG-CB 3.59Å; V63-P99 HydrophobicContact CG1-CG 4.31Å; S64-P99 WeakPolarHBondContact O-CD 3.45Å; Y65-P99 HydrophobicContact CD2-CG 4.3Å; F97-P99 HydrophobicContact CE1-CB 4.14Å; P99-T101 PolarHBondContact O-N 2.95Å; P99-G102 PolarHBondContact O-N 3.41Å; P99-L103 HydrophobicContact CB-CB 4.05Å; P99-L103 HydrophobicContact CB-CD2 4.13Å; P99-L103 HydrophobicContact CG-CD2 4.03Å
100H97.4Very high95.9Very high22 Ų2224.5 Ų24.510%0.10213%0.127CC..Hα-helixtrans31.9-124.2177.8-162.3-155.2000115.3D23 V25 Y65 H66 G102 L103 D104D23-H100 IonicContact OD1-CE1 2.75Å; D23-H100 IonicContact OD1-CG 2.63Å; D23-H100 IonicContact OD1-ND1 3.52Å; D23-H100 PolarHBondContact OD1-ND1 2.94Å; D23-H100 WeakPolarHBondContact OD2-CB 3.47Å; D23-H100 IonicContact OD2-CE1 3.89Å; D23-H100 IonicContact OD2-CG 3.39Å; D23-H100 VanDerWaalsContact OD2-CG 3.29Å; D23-H100 IonicContact OD2-ND1 2.81Å; D23-H100 PolarHBondContact OD2-ND1 3.17Å; V25-H100 HydrophobicContact CG1-CB 3.99Å; Y65-H100 AromaticContact CE1-CD2 3.99Å; Y65-H100 AromaticContact CZ-CD2 3.87Å; Y65-H100 VanDerWaalsContact O-CA 3.3Å; Y65-H100 WeakPolarHBondContact O-CA 3.46Å; Y65-H100 WeakPolarHBondContact O-CB 3.45Å; Y65-H100 PolarHBondContact O-N 3.32Å; H66-H100 AromaticContact CD2-CD2 3.59Å; H66-H100 AromaticContact CD2-NE2 3.54Å; H100-G102 PolarHBondContact O-N 2.92Å; H100-G102 VanDerWaalsContact O-N 3.09Å; H100-L103 WeakPolarHBondContact O-CA 3.26Å; H100-L103 WeakPolarHBondContact O-CB 3.3Å; H100-L103 PolarHBondContact O-N 2.87Å; H100-D104 PolarHBondContact O-N 2.85Å
101T95.8Very high95.8Very high6 Ų620.4 Ų20.44%0.03711%0.106CC..Hα-helixtrans-64.4-19.8-171.659.30000114A19 E20 W22 D23 P99 L103 D104 A105A19-T101 WeakPolarHBondContact CA-OG1 3.49Å; A19-T101 WeakPolarHBondContact CB-OG1 3.42Å; E20-T101 HydrophobicContact CB-CG2 4.37Å; E20-T101 HydrophobicContact CG-CG2 4.26Å; E20-T101 PolarHBondContact N-OG1 3.32Å; W22-T101 HydrophobicContact CH2-CG2 3.75Å; W22-T101 HydrophobicContact CZ2-CG2 4.16Å; D23-T101 HydrophobicContact CB-CG2 4.41Å; D23-T101 WeakPolarHBondContact OD2-CB 3.29Å; D23-T101 VanDerWaalsContact OD2-CG2 3.31Å; D23-T101 WeakPolarHBondContact OD2-CG2 3.45Å; D23-T101 PolarHBondContact OD2-N 3.26Å; D23-T101 PolarHBondContact OD2-OG1 3.05Å; P99-T101 PolarHBondContact O-N 2.95Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 3.27Å; T101-D104 WeakPolarHBondContact O-CB 3.37Å; T101-D104 PolarHBondContact O-N 3.4Å; T101-A105 VanDerWaalsContact O-CB 3.31Å; T101-A105 WeakPolarHBondContact O-CB 3.36Å; T101-A105 PolarHBondContact O-N 2.83Å
102G94.3Very high95.7Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-61.8-40.9170.600000111.5C14 P99 H100 A105 K106C14-G102 CarbonylContact O-C 3.55Å; P99-G102 PolarHBondContact O-N 3.41Å; H100-G102 PolarHBondContact O-N 2.92Å; H100-G102 VanDerWaalsContact O-N 3.09Å; G102-A105 PolarHBondContact O-N 3.26Å; G102-K106 VanDerWaalsContact O-CB 3.27Å; G102-K106 WeakPolarHBondContact O-CB 3.45Å; G102-K106 PolarHBondContact O-N 2.64Å
103L95.3Very high95.6Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-76.3-27.5176.7-172.962.4000113.1Y13 Y65 P99 H100 T101 K106 G109 I110 F307 F308Y13-L103 HydrophobicContact CE1-CD1 4.36Å; Y65-L103 HydrophobicContact CD2-CD2 4.41Å; Y65-L103 HydrophobicContact CE2-CD2 4.42Å; P99-L103 HydrophobicContact CB-CB 4.05Å; P99-L103 HydrophobicContact CB-CD2 4.13Å; P99-L103 HydrophobicContact CG-CD2 4.03Å; H100-L103 WeakPolarHBondContact O-CA 3.26Å; H100-L103 WeakPolarHBondContact O-CB 3.3Å; H100-L103 PolarHBondContact O-N 2.87Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 3.27Å; L103-K106 HydrophobicContact CD1-CD 4.23Å; L103-G109 VanDerWaalsContact O-CA 3.27Å; L103-G109 WeakPolarHBondContact O-CA 3.32Å; L103-I110 HydrophobicContact CD2-CD1 3.88Å; L103-I110 HydrophobicContact CD2-CG1 4.23Å; L103-I110 HydrophobicContact CG-CD1 4.14Å; L103-I110 HydrophobicContact CG-CG1 4.19Å; L103-I110 PolarHBondContact O-N 3.39Å; L103-F307 HydrophobicContact CD1-CE1 3.82Å; L103-F307 HydrophobicContact CD1-CZ 3.87Å; L103-F307 HydrophobicContact CD2-CD1 4.1Å; L103-F307 HydrophobicContact CD2-CE1 3.61Å; L103-F307 HydrophobicContact CD2-CZ 4.45Å; L103-F307 HydrophobicContact CG-CE1 3.97Å; L103-F307 HydrophobicContact CG-CZ 4.34Å; L103-F308 HydrophobicContact CD2-CE1 4.5Å; L103-F308 HydrophobicContact CD2-CZ 4.33Å
104D95.5Very high95.6Very high16 Ų165.7 Ų5.79%0.0864%0.037CC..Hα-helixtrans-65.5-42168.8-79.2-34.2000112.4Y65 H100 T101 N111Y65-D104 PolarHBondContact OH-OD1 2.85Å; Y65-D104 PolarHBondContact OH-OD2 3.06Å; H100-D104 PolarHBondContact O-N 2.85Å; T101-D104 WeakPolarHBondContact O-CB 3.37Å; T101-D104 PolarHBondContact O-N 3.4Å; D104-N111 PolarHBondContact O-ND2 3.12Å
105A93.1Very high95.6Very high0 Ų06 Ų60%04%0.038CC..Hα-helixtrans-77.7-30.8-175.500000112.5L18 T101 G102 E205 G206L18-A105 HydrophobicContact CB-CB 3.87Å; T101-A105 VanDerWaalsContact O-CB 3.31Å; T101-A105 WeakPolarHBondContact O-CB 3.36Å; T101-A105 PolarHBondContact O-N 2.83Å; G102-A105 PolarHBondContact O-N 3.26Å; A105-E205 WeakPolarHBondContact O-CA 3.33Å; A105-G206 WeakPolarHBondContact CA-O 3.38Å; A105-G206 PolarHBondContact O-N 2.9Å
106K91.1Very high95.5Very high2 Ų29.7 Ų9.71%0.0096%0.056CC..SBendtrans-58.4137-177.3170.2176.6-176.6-164.10113.1Y13 L15 L18 G102 L103 G108 G109 V157 C158 R209Y13-K106 WeakPolarHBondContact O-CD 3.36Å; Y13-K106 WeakPolarHBondContact O-CE 3.4Å; Y13-K106 PolarHBondContact O-NZ 2.93Å; L15-K106 HydrophobicContact CD1-CB 4.39Å; L15-K106 HydrophobicContact CD1-CD 4.12Å; L15-K106 HydrophobicContact CD1-CG 3.96Å; L15-K106 HydrophobicContact CG-CD 4.34Å; L18-K106 HydrophobicContact CD1-CB 4.23Å; G102-K106 VanDerWaalsContact O-CB 3.27Å; G102-K106 WeakPolarHBondContact O-CB 3.45Å; G102-K106 PolarHBondContact O-N 2.64Å; L103-K106 HydrophobicContact CD1-CD 4.23Å; K106-G108 PolarHBondContact O-N 3.24Å; K106-G109 WeakPolarHBondContact O-CA 3.48Å; K106-G109 PolarHBondContact O-N 3.1Å; K106-V157 WeakPolarHBondContact CE-O 3.31Å; K106-V157 PolarHBondContact NZ-O 2.84Å; K106-C158 WeakPolarHBondContact CE-O 3.36Å; K106-C158 PolarHBondContact NZ-O 2.8Å; K106-R209 PolarHBondContact O-NH2 3.48Å
107L88Confident95.4Very high15 Ų1511.4 Ų11.48%0.0797%0.067CC..THydrogen-bonded Turntrans-62.6126.8163.8173.164.2000110.5G109 D112 E204 E205L107-G109 VanDerWaalsContact C-N 3.28Å; L107-D112 WeakPolarHBondContact CA-OD2 3.45Å; L107-E204 HydrophobicContact CD1-CB 4.29Å; L107-E205 HydrophobicContact CB-CG 4.31Å
108G89.1Confident95.4Very high32 Ų3212.5 Ų12.533%0.337%0.073SC..THydrogen-bonded Turntrans80.98.3-170.200000113.6K106 D112K106-G108 PolarHBondContact O-N 3.24Å; G108-D112 PolarHBondContact N-OD2 2.96Å
109G94.3Very high95.2Very high0 Ų014.4 Ų14.40%09%0.089CC..SBendtrans-82-164.1177.800000114.3L103 K106 L107 N111 D112 W113 F307L103-G109 VanDerWaalsContact O-CA 3.27Å; L103-G109 WeakPolarHBondContact O-CA 3.32Å; K106-G109 WeakPolarHBondContact O-CA 3.48Å; K106-G109 PolarHBondContact O-N 3.1Å; L107-G109 VanDerWaalsContact C-N 3.28Å; G109-N111 PolarHBondContact O-N 3.19Å; G109-D112 WeakPolarHBondContact O-CB 3.31Å; G109-D112 PolarHBondContact O-N 2.82Å; G109-W113 PolarHBondContact O-N 2.78Å; G109-F307 VanDerWaalsContact C-CE2 3.49Å
110I96.4Very high95.1Very high0 Ų016.3 Ų16.30%010%0.1CC..Hα-helixtrans-60.7-43.3-173.1-74.7167.9000112.1Y65 L103 D112 W113 L114 A256 F307Y65-I110 HydrophobicContact CD2-CD1 3.76Å; Y65-I110 HydrophobicContact CE1-CD1 4.4Å; Y65-I110 HydrophobicContact CE2-CD1 3.18Å; L103-I110 HydrophobicContact CD2-CD1 3.88Å; L103-I110 HydrophobicContact CD2-CG1 4.23Å; L103-I110 HydrophobicContact CG-CD1 4.14Å; L103-I110 HydrophobicContact CG-CG1 4.19Å; L103-I110 PolarHBondContact O-N 3.39Å; I110-D112 PolarHBondContact O-N 3.43Å; I110-W113 WeakPolarHBondContact O-CB 3.49Å; I110-W113 PolarHBondContact O-N 3.48Å; I110-L114 PolarHBondContact O-N 3.34Å; I110-A256 HydrophobicContact CG2-CB 3.31Å; I110-F307 HydrophobicContact CB-CD2 4.48Å; I110-F307 HydrophobicContact CB-CG 4.38Å; I110-F307 HydrophobicContact CD1-CD1 4.16Å; I110-F307 HydrophobicContact CD1-CG 4.42Å; I110-F307 HydrophobicContact CG1-CB 3.73Å; I110-F307 HydrophobicContact CG1-CD1 3.48Å; I110-F307 VanDerWaalsContact CG1-CD1 3.48Å; I110-F307 HydrophobicContact CG1-CD2 3.89Å; I110-F307 HydrophobicContact CG1-CE1 4.05Å; I110-F307 HydrophobicContact CG1-CE2 4.38Å; I110-F307 HydrophobicContact CG1-CG 3.4Å; I110-F307 HydrophobicContact CG1-CZ 4.45Å
111N96.8Very high94.9Very high0 Ų020.8 Ų20.80%013%0.125CC..Hα-helixtrans-66.9-24.1179.3-70.6-58.8000113D104 G109 L115 G208 R209 V254 C255 A256D104-N111 PolarHBondContact O-ND2 3.12Å; G109-N111 PolarHBondContact O-N 3.19Å; N111-L115 WeakPolarHBondContact O-CG 3.15Å; N111-G208 PolarHBondContact ND2-N 2.96Å; N111-R209 HydrophobicContact CB-CG 3.91Å; N111-V254 HydrophobicContact CB-CG2 4.48Å; N111-V254 WeakPolarHBondContact O-CG2 3.16Å; N111-C255 VanDerWaalsContact OD1-CA 3.27Å; N111-C255 WeakPolarHBondContact OD1-CA 3.43Å; N111-A256 PolarHBondContact OD1-N 3.29Å
112D95.1Very high94.7Very high13 Ų1326.4 Ų26.47%0.0715%0.145CC..Hα-helixtrans-79.4-38.4173.7-71.4-41.4000112L107 G108 G109 I110 L114 L115 R123 R209L107-D112 WeakPolarHBondContact CA-OD2 3.45Å; G108-D112 PolarHBondContact N-OD2 2.96Å; G109-D112 WeakPolarHBondContact O-CB 3.31Å; G109-D112 PolarHBondContact O-N 2.82Å; I110-D112 PolarHBondContact O-N 3.43Å; D112-L114 VanDerWaalsContact C-N 3.3Å; D112-L114 PolarHBondContact O-N 3.47Å; D112-L115 WeakPolarHBondContact O-CB 3.08Å; D112-L115 PolarHBondContact O-N 2.85Å; D112-R123 WeakPolarHBondContact OD1-CD 3.26Å; D112-R123 IonicContact OD1-CZ 3.43Å; D112-R123 IonicContact OD1-NE 2.7Å; D112-R123 IonicContact OD1-NH1 3.04Å; D112-R123 PolarHBondContact OD1-NH1 2.8Å; D112-R123 IonicContact OD2-NH1 2.69Å; D112-R209 IonicContact OD1-CZ 3.74Å; D112-R209 IonicContact OD1-NE 3.16Å; D112-R209 PolarHBondContact OD1-NE 2.93Å; D112-R209 IonicContact OD1-NH2 3.73Å; D112-R209 IonicContact OD2-CZ 3.52Å; D112-R209 IonicContact OD2-NE 3.41Å; D112-R209 PolarHBondContact OD2-NE 3.17Å; D112-R209 IonicContact OD2-NH2 2.77Å; D112-R209 PolarHBondContact OD2-NH2 2.85Å
113W96.4Very high94.5Very high6 Ų630 Ų302%0.02316%0.159CC..Hα-helixtrans-59.8-41.3170.4167.376.7000111.8G109 I110 L115 E116 F229 L230 T303 G306 F307 E310 R311G109-W113 PolarHBondContact O-N 2.78Å; I110-W113 WeakPolarHBondContact O-CB 3.49Å; I110-W113 PolarHBondContact O-N 3.48Å; W113-L115 PolarHBondContact O-N 2.91Å; W113-E116 WeakPolarHBondContact O-CB 3.12Å; W113-E116 VanDerWaalsContact O-CG 3.22Å; W113-E116 WeakPolarHBondContact O-CG 3.17Å; W113-E116 PolarHBondContact O-N 3.07Å; W113-F229 AromaticContact CD1-CZ 3.93Å; W113-F229 HydrophobicContact CD2-CE1 4.37Å; W113-F229 AromaticContact CD2-CZ 3.93Å; W113-F229 HydrophobicContact CD2-CZ 3.93Å; W113-F229 AromaticContact CE2-CE1 3.98Å; W113-F229 AromaticContact CE2-CZ 3.4Å; W113-F229 VanDerWaalsContact CE2-CZ 3.4Å; W113-F229 HydrophobicContact CG-CZ 4.24Å; W113-F229 HydrophobicContact CH2-CE1 4.14Å; W113-F229 HydrophobicContact CH2-CZ 4.37Å; W113-F229 AromaticContact CZ2-CE1 3.85Å; W113-F229 HydrophobicContact CZ2-CE1 3.85Å; W113-F229 HydrophobicContact CZ2-CE2 4.46Å; W113-F229 AromaticContact CZ2-CZ 3.66Å; W113-F229 HydrophobicContact CZ2-CZ 3.66Å; W113-F229 AromaticContact NE1-CE2 3.92Å; W113-F229 AromaticContact NE1-CZ 3.44Å; W113-F229 VanDerWaalsContact O-CZ 3.22Å; W113-F229 WeakPolarHBondContact O-CZ 3.49Å; W113-L230 HydrophobicContact CH2-CD2 3.8Å; W113-L230 HydrophobicContact CZ2-CD2 4.47Å; W113-L230 HydrophobicContact CZ3-CD2 4.44Å; W113-T303 WeakPolarHBondContact CZ3-O 3.35Å; W113-G306 VanDerWaalsContact CZ2-C 3.48Å; W113-G306 VanDerWaalsContact CZ2-CA 3.49Å; W113-F307 HydrophobicContact CB-CD2 3.55Å; W113-F307 HydrophobicContact CB-CE2 4.21Å; W113-F307 HydrophobicContact CD2-CB 3.94Å; W113-F307 HydrophobicContact CD2-CD2 4.42Å; W113-F307 HydrophobicContact CE3-CB 3.95Å; W113-F307 HydrophobicContact CG-CB 4.26Å; W113-F307 AromaticContact CG-CD2 3.89Å; W113-F307 HydrophobicContact CG-CD2 3.89Å; W113-E310 PolarHBondContact NE1-OE2 2.91Å; W113-R311 HydrophobicContact CB-CG 4.45Å; W113-R311 HydrophobicContact CG-CG 4.42Å
114L97.8Very high94.4Very high0 Ų032.2 Ų32.20%017%0.169CC..THydrogen-bonded Turntrans-64.3-14.8178.9-167.159.4000113.5I110 D112 Y226 F229 L230 V254 A256 T303I110-L114 PolarHBondContact O-N 3.34Å; D112-L114 VanDerWaalsContact C-N 3.3Å; D112-L114 PolarHBondContact O-N 3.47Å; L114-Y226 HydrophobicContact CD1-CE1 3.96Å; L114-Y226 HydrophobicContact CG-CE1 4.34Å; L114-Y226 VanDerWaalsContact O-CE1 3.3Å; L114-Y226 WeakPolarHBondContact O-CE1 3.19Å; L114-Y226 PolarHBondContact O-OH 3.13Å; L114-F229 HydrophobicContact CD1-CE1 4.41Å; L114-L230 HydrophobicContact CD1-CD2 4.24Å; L114-V254 HydrophobicContact CD2-CB 4.08Å; L114-V254 HydrophobicContact CD2-CG2 4.48Å; L114-V254 HydrophobicContact CG-CB 4.43Å; L114-A256 HydrophobicContact CD2-CB 4.35Å; L114-T303 HydrophobicContact CD1-CG2 4.37Å; L114-T303 HydrophobicContact CD2-CG2 4.46Å
115L97.6Very high94.2Very high9 Ų931.9 Ų31.95%0.04717%0.168CC..THydrogen-bonded Turntrans-88.4-10.6175.5-68.8170.6000114N111 D112 W113 P117 L118 V120 R123 R209 V211 V254N111-L115 WeakPolarHBondContact O-CG 3.15Å; D112-L115 WeakPolarHBondContact O-CB 3.08Å; D112-L115 PolarHBondContact O-N 2.85Å; W113-L115 PolarHBondContact O-N 2.91Å; L115-P117 VanDerWaalsContact C-N 3.33Å; L115-L118 HydrophobicContact CD2-CD1 4.04Å; L115-L118 WeakPolarHBondContact O-CA 3.19Å; L115-L118 VanDerWaalsContact O-CB 3.26Å; L115-L118 WeakPolarHBondContact O-CB 2.92Å; L115-L118 PolarHBondContact O-N 3.43Å; L115-V120 HydrophobicContact CB-CG2 4.44Å; L115-R123 HydrophobicContact CD1-CG 4.38Å; L115-R209 HydrophobicContact CD1-CB 3.72Å; L115-R209 HydrophobicContact CD1-CG 3.81Å; L115-R209 HydrophobicContact CG-CB 4.49Å; L115-V211 HydrophobicContact CD1-CG1 3.51Å; L115-V211 HydrophobicContact CD2-CB 4.46Å; L115-V211 HydrophobicContact CD2-CG1 3.79Å; L115-V211 HydrophobicContact CD2-CG2 3.77Å; L115-V211 HydrophobicContact CG-CG1 4.3Å; L115-V254 HydrophobicContact CD2-CB 4.39Å; L115-V254 HydrophobicContact CD2-CG1 3.63Å; L115-V254 HydrophobicContact CD2-CG2 3.75Å; L115-V254 HydrophobicContact CG-CG2 3.87Å
116E96.8Very high94.1Very high78 Ų7832.4 Ų32.436%0.36417%0.171SC..THydrogen-bonded Turntrans-56.4-31.4-172-73179.5-175.900116.6W113 L118 F229 R311W113-E116 WeakPolarHBondContact O-CB 3.12Å; W113-E116 VanDerWaalsContact O-CG 3.22Å; W113-E116 WeakPolarHBondContact O-CG 3.17Å; W113-E116 PolarHBondContact O-N 3.07Å; E116-L118 PolarHBondContact O-N 3.02Å; E116-L118 VanDerWaalsContact O-N 3.13Å; E116-F229 HydrophobicContact CB-CE2 3.94Å; E116-F229 HydrophobicContact CB-CZ 4.12Å; E116-R311 IonicContact OE1-CZ 3.04Å; E116-R311 IonicContact OE1-NE 3.14Å; E116-R311 PolarHBondContact OE1-NE 2.9Å; E116-R311 IonicContact OE1-NH2 2.65Å; E116-R311 PolarHBondContact OE1-NH2 3.48Å; E116-R311 IonicContact OE2-CZ 2.9Å; E116-R311 IonicContact OE2-NH2 3.95Å; E116-R311 PolarHBondContact OE2-NH2 3.23Å
117P97.5Very high93.9Very high37 Ų3733.4 Ų33.424%0.2418%0.178CC..THydrogen-bonded Turntrans-66.2-10.3173.9-25.138.2000114L115 A225 Y226 F229L115-P117 VanDerWaalsContact C-N 3.33Å; P117-A225 HydrophobicContact CB-CB 4.1Å; P117-Y226 HydrophobicContact CB-CE2 4.42Å; P117-Y226 HydrophobicContact CG-CD1 4.48Å; P117-Y226 HydrophobicContact CG-CE1 4.25Å; P117-F229 HydrophobicContact CB-CB 4.33Å; P117-F229 HydrophobicContact CB-CG 4.49Å; P117-F229 HydrophobicContact CG-CB 3.41Å; P117-F229 VanDerWaalsContact CG-CB 3.41Å; P117-F229 HydrophobicContact CG-CD1 3.36Å; P117-F229 HydrophobicContact CG-CD2 3.68Å; P117-F229 HydrophobicContact CG-CE1 3.98Å; P117-F229 HydrophobicContact CG-CE2 4.24Å; P117-F229 HydrophobicContact CG-CG 3.19Å; P117-F229 HydrophobicContact CG-CZ 4.37Å
118L97.7Very high93.4Very high24 Ų2440.9 Ų40.913%0.12621%0.205CC..SBendtrans-106.4137.2-171.2-55.4178000111.6L115 E116 V120 L213 V222 Y226 V252L115-L118 HydrophobicContact CD2-CD1 4.04Å; L115-L118 WeakPolarHBondContact O-CA 3.19Å; L115-L118 VanDerWaalsContact O-CB 3.26Å; L115-L118 WeakPolarHBondContact O-CB 2.92Å; L115-L118 PolarHBondContact O-N 3.43Å; E116-L118 PolarHBondContact O-N 3.02Å; E116-L118 VanDerWaalsContact O-N 3.13Å; L118-V120 HydrophobicContact CB-CG2 4.08Å; L118-V120 PolarHBondContact O-N 3.31Å; L118-L213 HydrophobicContact CB-CD2 3.87Å; L118-L213 HydrophobicContact CD1-CD2 4.18Å; L118-L213 HydrophobicContact CD2-CD2 4.37Å; L118-L213 HydrophobicContact CG-CD2 4.38Å; L118-V222 HydrophobicContact CD2-CG1 4.19Å; L118-Y226 HydrophobicContact CD1-CE2 4.36Å; L118-Y226 WeakPolarHBondContact CD1-OH 3.43Å; L118-Y226 HydrophobicContact CD2-CE2 4.02Å; L118-Y226 HydrophobicContact CG-CE2 4.2Å; L118-V252 HydrophobicContact CD1-CB 4.08Å; L118-V252 HydrophobicContact CD1-CG1 3.95Å; L118-V252 HydrophobicContact CD1-CG2 4.09Å
119A96.5Very high92.6Very high40 Ų4040 Ų4033%0.33119%0.194SC..  trans-77.98816800000109.6L213 Q214 F215A119-L213 CarbonylContact O-C 3.57Å; A119-L213 WeakPolarHBondContact O-CA 3.17Å; A119-Q214 HydrophobicContact CB-CB 4.31Å; A119-Q214 HydrophobicContact CB-CG 4.32Å; A119-Q214 WeakPolarHBondContact O-CG 3.3Å; A119-Q214 PolarHBondContact O-N 3.45Å; A119-F215 HydrophobicContact CB-CE1 4.19Å; A119-F215 HydrophobicContact CB-CZ 4.14Å
120V95.1Very high91.2Very high43 Ų4343.1 Ų43.126%0.26121%0.214SC..EExtended strand (participates in β ladder)trans-81.3135.6-177.4175.60000111.5L115 L118 R123 V211 Q214L115-V120 HydrophobicContact CB-CG2 4.44Å; L118-V120 HydrophobicContact CB-CG2 4.08Å; L118-V120 PolarHBondContact O-N 3.31Å; V120-R123 HydrophobicContact CG1-CB 4.22Å; V120-V211 HydrophobicContact CG1-CB 3.88Å; V120-V211 HydrophobicContact CG1-CG1 3.78Å; V120-V211 HydrophobicContact CG2-CB 4.09Å; V120-V211 HydrophobicContact CG2-CG1 4.04Å; V120-V211 HydrophobicContact CG2-CG2 4.11Å; V120-Q214 PolarHBondContact O-NE2 3.33Å
121N92.4Very high89.7Confident116 Ų11645.4 Ų45.462%0.6223%0.226SC*.EExtended strand (participates in β ladder)trans-102-44.2173.4-178.355.9000112.5T212 Q214N121-T212 WeakPolarHBondContact CB-O 3.14Å; N121-T212 PolarHBondContact N-O 3Å; N121-Q214 HydrophobicContact CB-CB 4.5Å; N121-Q214 HydrophobicContact CB-CG 3.88Å
122R91.7Very high88.3Confident124 Ų12452 Ų5247%0.46827%0.266SS..EExtended strand (participates in β ladder)trans-136.8142.3177.6-177.9176.6178.4-86.4-7.9109.2E124 V211 T212R122-E124 IonicContact CZ-OE1 3.13Å; R122-E124 IonicContact CZ-OE2 3.87Å; R122-E124 IonicContact NH1-OE1 2.74Å; R122-E124 PolarHBondContact NH1-OE1 3.15Å; R122-E124 IonicContact NH1-OE2 4Å; R122-E124 PolarHBondContact NH1-OE2 2.75Å; R122-E124 VanDerWaalsContact NH1-OE2 3.14Å; R122-E124 IonicContact NH2-OE1 2.68Å; R122-E124 IonicContact NH2-OE2 3.43Å; R122-E124 PolarHBondContact NH2-OE2 2.84Å; R122-V211 CarbonylContact O-C 3.52Å; R122-V211 WeakPolarHBondContact O-CA 3.49Å; R122-V211 WeakPolarHBondContact O-CB 3.15Å; R122-T212 PolarHBondContact N-O 2.74Å; R122-T212 PolarHBondContact O-N 3.37Å
123R91.3Very high87.4Confident74 Ų7457 Ų5728%0.27929%0.29SS..EExtended strand (participates in β ladder)trans-134.5142.8179178.9-178.363.4-167.5-10.1110.9D112 L115 V120 E204 R209 L210 V211D112-R123 WeakPolarHBondContact OD1-CD 3.26Å; D112-R123 IonicContact OD1-CZ 3.43Å; D112-R123 IonicContact OD1-NE 2.7Å; D112-R123 IonicContact OD1-NH1 3.04Å; D112-R123 PolarHBondContact OD1-NH1 2.8Å; D112-R123 IonicContact OD2-NH1 2.69Å; L115-R123 HydrophobicContact CD1-CG 4.38Å; V120-R123 HydrophobicContact CG1-CB 4.22Å; R123-E204 IonicContact NE-OE1 3.8Å; R123-E204 IonicContact NH2-OE1 3.55Å; R123-E204 PolarHBondContact NH2-OE1 2.92Å; R123-E204 VanDerWaalsContact NH2-OE1 3.16Å; R123-R209 HydrophobicContact CG-CB 4.45Å; R123-R209 HydrophobicContact CG-CG 4.44Å; R123-L210 WeakPolarHBondContact CA-O 3.47Å; R123-V211 HydrophobicContact CB-CG1 3.9Å; R123-V211 HydrophobicContact CG-CG1 3.87Å
124E92Very high86.7Confident47 Ų4759 Ų5922%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-146.2163.6166.164.1-161.2151.300110.2R122 S203 R209 L210R122-E124 IonicContact CZ-OE1 3.13Å; R122-E124 IonicContact CZ-OE2 3.87Å; R122-E124 IonicContact NH1-OE1 2.74Å; R122-E124 PolarHBondContact NH1-OE1 3.15Å; R122-E124 IonicContact NH1-OE2 4Å; R122-E124 PolarHBondContact NH1-OE2 2.75Å; R122-E124 VanDerWaalsContact NH1-OE2 3.14Å; R122-E124 IonicContact NH2-OE1 2.68Å; R122-E124 IonicContact NH2-OE2 3.43Å; R122-E124 PolarHBondContact NH2-OE2 2.84Å; E124-S203 CarbonylContact C-O 3.51Å; E124-S203 VanDerWaalsContact CA-O 3.27Å; E124-S203 WeakPolarHBondContact CA-O 3.21Å; E124-S203 WeakPolarHBondContact CB-O 3.48Å; E124-R209 CarbonylContact O-C 3.55Å; E124-R209 WeakPolarHBondContact O-CA 3.34Å; E124-L210 HydrophobicContact CG-CB 4.19Å; E124-L210 PolarHBondContact N-O 2.89Å; E124-L210 PolarHBondContact O-N 3.06Å
125S91.4Very high86.2Confident10 Ų1059.9 Ų59.97%0.0731%0.307CS..EExtended strand (participates in β ladder)trans-75.6150.5172.669.30000111.2S127 S203 E205 G208S125-S127 VanDerWaalsContact CB-O 3.23Å; S125-S127 WeakPolarHBondContact CB-O 3.44Å; S125-S127 PolarHBondContact OG-O 3.3Å; S125-S203 PolarHBondContact N-O 3.09Å; S125-E205 PolarHBondContact OG-O 2.87Å; S125-G208 WeakPolarHBondContact CA-O 3.41Å
126L90.4Very high85.9Confident10 Ų1059.4 Ų59.45%0.05231%0.305CS..SBendtrans-74.5-54.6176.9-77.2168.5000110.4C207 G208 L210 A253 L262 T266 A268 F275L126-C207 WeakPolarHBondContact CB-O 3.24Å; L126-C207 PolarHBondContact N-O 3.07Å; L126-G208 PolarHBondContact N-O 3.47Å; L126-L210 HydrophobicContact CD2-CB 3.83Å; L126-L210 HydrophobicContact CG-CB 4.39Å; L126-A253 HydrophobicContact CD1-CB 4.12Å; L126-A253 HydrophobicContact CD2-CB 4.23Å; L126-L262 HydrophobicContact CB-CD2 4.41Å; L126-T266 HydrophobicContact CB-CG2 4.25Å; L126-T266 WeakPolarHBondContact O-CG2 3.27Å; L126-A268 HydrophobicContact CD2-CB 4.35Å; L126-F275 HydrophobicContact CD1-CE2 4.02Å
127S87.4Confident85.7Confident24 Ų2457.7 Ų57.717%0.16830%0.295CS..SBendtrans-100.8150.2167.173.10000109.3S125 G206 C207S125-S127 VanDerWaalsContact CB-O 3.23Å; S125-S127 WeakPolarHBondContact CB-O 3.44Å; S125-S127 PolarHBondContact OG-O 3.3Å; S127-G206 CarbonylContact O-C 3.51Å; S127-G206 VanDerWaalsContact O-CA 3.27Å; S127-G206 WeakPolarHBondContact O-CA 3.24Å; S127-C207 PolarHBondContact N-O 3.18Å; S127-C207 VanDerWaalsContact N-O 3.16Å; S127-C207 PolarHBondContact O-N 3.03Å; S127-C207 VanDerWaalsContact OG-CB 3.28Å; S127-C207 WeakPolarHBondContact OG-CB 3.33Å; S127-C207 PolarHBondContact OG-N 3.06Å
128R78.4Confident85.5Confident171 Ų17155.9 Ų55.965%0.64528%0.283SS*.PPolyproline II helixtrans-91.8137.7175.4-66.9-176.3-178.2178.6-0.5109.4
129S71.8Confident85.4Confident14 Ų1456.1 Ų56.110%0.09829%0.286CS..PPolyproline II helixtrans-58.7145.3168.6177.80000110.3L18 I131 E205L18-S129 WeakPolarHBondContact CD2-OG 3.28Å; S129-I131 PolarHBondContact O-N 3.44Å; S129-E205 PolarHBondContact N-O 3.13Å
130P64.5Low85.3Confident65 Ų6554.2 Ų54.242%0.42227%0.27SS..  trans-72.54318032.3-38.2000113.2T132P130-T132 PolarHBondContact O-N 2.88Å
131I65.6Low85.3Confident49 Ų4953.5 Ų53.525%0.25127%0.265SS..  trans-70.1116.7177.1-55.8174.7000108.6L18 S129 Q133 L135 E205L18-I131 HydrophobicContact CD2-CD1 3.74Å; L18-I131 HydrophobicContact CD2-CG1 4.07Å; S129-I131 PolarHBondContact O-N 3.44Å; I131-Q133 WeakPolarHBondContact CG2-O 3.22Å; I131-L135 HydrophobicContact CD1-CD1 4.25Å; I131-L135 HydrophobicContact CG2-CD1 4.32Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-E205 WeakPolarHBondContact CD1-OE2 3.47Å
132T67.6Low85.3Confident137 Ų13748.9 Ų48.984%0.8424%0.24SC*.  trans-100.7-17.9175.652.90000112.6P130P130-T132 PolarHBondContact O-N 2.88Å
133Q74.6Confident85.3Confident120 Ų12044.4 Ų44.456%0.56123%0.226SC*.SBendtrans-98.7143.6-175.2-65.4179.6-17.300111.3I131 L135I131-Q133 WeakPolarHBondContact CG2-O 3.22Å; Q133-L135 PolarHBondContact O-N 3.46Å
134T82.5Confident85.3Confident48 Ų4846.2 Ų46.229%0.29424%0.238SC..  trans-69.3128169.3-52.90000109.2E176 T198T134-E176 PolarHBondContact O-N 2.84Å; T134-T198 HydrophobicContact CG2-CG2 3.63Å
135L87.1Confident85.3Confident17 Ų1746 Ų469%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-106.2149.6177.7-62.2-180000110.3I131 Q133 C174 I199I131-L135 HydrophobicContact CD1-CD1 4.25Å; I131-L135 HydrophobicContact CG2-CD1 4.32Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; Q133-L135 PolarHBondContact O-N 3.46Å; L135-C174 CarbonylContact C-O 3.54Å; L135-C174 WeakPolarHBondContact CA-O 3.26Å; L135-I199 PolarHBondContact N-O 2.99Å; L135-I199 VanDerWaalsContact N-O 3.16Å; L135-I199 WeakPolarHBondContact O-CA 3.36Å; L135-I199 PolarHBondContact O-N 2.8Å
136S91.3Very high85.5Confident0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-105.8136.6166-610000108.8T173 C174S136-T173 VanDerWaalsContact O-CA 3.28Å; S136-T173 WeakPolarHBondContact O-CA 3.37Å; S136-C174 PolarHBondContact N-O 3.16Å; S136-C174 PolarHBondContact O-N 3.13Å
137R92.2Very high85.7Confident41 Ų4145.1 Ų45.116%0.15523%0.232CC..EExtended strand (participates in β ladder)trans-110130.4174.4174.8-175.7-71.3160.71.1109.1I171 V172 T173 I196 D197 I199 E204R137-I171 HydrophobicContact CG-CG2 3.42Å; R137-I171 VanDerWaalsContact CG-CG2 3.42Å; R137-V172 CarbonylContact C-O 3.46Å; R137-V172 WeakPolarHBondContact CA-O 3.28Å; R137-T173 HydrophobicContact CB-CG2 4.13Å; R137-T173 HydrophobicContact CG-CG2 4.38Å; R137-I196 CarbonylContact O-C 3.42Å; R137-I196 WeakPolarHBondContact O-CA 3.47Å; R137-D197 PolarHBondContact N-O 2.98Å; R137-D197 PolarHBondContact O-N 3.46Å; R137-I199 HydrophobicContact CB-CD1 3.36Å; R137-I199 HydrophobicContact CB-CG1 4Å; R137-I199 HydrophobicContact CG-CD1 4.25Å; R137-E204 IonicContact NH1-OE2 2.95Å; R137-E204 IonicContact NH2-OE2 3.21Å
138L94.5Very high86Confident0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-116.9128.4176.9-6178.4000108.2V140 I171 V172 L179 V182 V183 V193 S195 I196L138-V140 HydrophobicContact CB-CG1 4.04Å; L138-I171 WeakPolarHBondContact O-CA 3.39Å; L138-V172 HydrophobicContact CB-CG2 3.84Å; L138-V172 PolarHBondContact N-O 3.06Å; L138-V172 PolarHBondContact O-N 3.27Å; L138-L179 HydrophobicContact CD1-CD1 3.81Å; L138-L179 HydrophobicContact CD2-CD1 4.19Å; L138-L179 HydrophobicContact CG-CD1 4.28Å; L138-V182 HydrophobicContact CD2-CG1 4.05Å; L138-V183 HydrophobicContact CD2-CG2 4.04Å; L138-V193 HydrophobicContact CD2-CG1 4.43Å; L138-S195 WeakPolarHBondContact CA-O 3.22Å; L138-I196 HydrophobicContact CD2-CD1 4.32Å; L138-I196 HydrophobicContact CD2-CG1 4.3Å; L138-I196 HydrophobicContact CG-CG1 4.09Å; L138-I196 HydrophobicContact CG-CG2 4.35Å
139T94.6Very high86.9Confident29 Ų2937.7 Ų37.718%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-90121.2164.3-55.60000107.3V194 S195T139-V194 HydrophobicContact CG2-CB 4.04Å; T139-V194 HydrophobicContact CG2-CG2 4.39Å; T139-V194 WeakPolarHBondContact O-CB 3.26Å; T139-V194 PolarHBondContact O-N 3.16Å; T139-S195 WeakPolarHBondContact CB-OG 3.49Å; T139-S195 PolarHBondContact N-O 2.73Å; T139-S195 PolarHBondContact O-N 2.75Å; T139-S195 PolarHBondContact OG1-OG 2.9Å; T139-S195 VanDerWaalsContact OG1-OG 3.08Å
140V95.4Very high88Confident0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-126146.3-176.4-58.30000111.2L138 F146 T169 A170 V172 I191 S192 V193L138-V140 HydrophobicContact CB-CG1 4.04Å; V140-F146 HydrophobicContact CG2-CD2 4.28Å; V140-F146 HydrophobicContact CG2-CE2 3.73Å; V140-T169 CarbonylContact O-C 3.4Å; V140-T169 WeakPolarHBondContact O-CA 3.4Å; V140-T169 WeakPolarHBondContact O-CB 3.35Å; V140-A170 HydrophobicContact CG2-CB 4.18Å; V140-A170 PolarHBondContact N-O 2.9Å; V140-A170 PolarHBondContact O-N 3.34Å; V140-V172 HydrophobicContact CG1-CG2 4.37Å; V140-V172 HydrophobicContact CG2-CG1 4.43Å; V140-I191 HydrophobicContact CB-CG2 3.67Å; V140-I191 HydrophobicContact CG1-CG2 4.15Å; V140-I191 HydrophobicContact CG2-CG2 4.15Å; V140-S192 CarbonylContact C-O 3.6Å; V140-S192 WeakPolarHBondContact CA-O 3.3Å; V140-V193 HydrophobicContact CG1-CG2 4.21Å
141V94.6Very high89.5Confident27 Ų2735.3 Ų35.316%0.16419%0.186CC..EExtended strand (participates in β ladder)trans-80.2119.5170.8-174.90000108.3A166 T169 S192 V194V141-A166 WeakPolarHBondContact CG1-O 3.36Å; V141-A166 HydrophobicContact CG2-CB 3.92Å; V141-T169 HydrophobicContact CG2-CG2 4.13Å; V141-S192 PolarHBondContact N-O 3.48Å; V141-V194 HydrophobicContact CG2-CG2 3.69Å
142M91.6Very high90.9Very high19 Ų1936.2 Ų36.29%0.09420%0.197CC..  trans-70.9133.5178.8-63.8179.864.500110F146 I168 A170 H318 T322M142-F146 HydrophobicContact CB-CB 4.45Å; M142-F146 HydrophobicContact CB-CG 4.45Å; M142-F146 HydrophobicContact CE-CB 4.38Å; M142-F146 HydrophobicContact CE-CD1 3.48Å; M142-F146 VanDerWaalsContact CE-CD1 3.48Å; M142-F146 HydrophobicContact CE-CE1 3.86Å; M142-F146 HydrophobicContact CE-CG 3.96Å; M142-F146 HydrophobicContact CG-CD1 4.38Å; M142-F146 HydrophobicContact CG-CD2 4.06Å; M142-F146 HydrophobicContact CG-CE2 4.32Å; M142-F146 HydrophobicContact CG-CG 4.09Å; M142-I168 HydrophobicContact CB-CG2 4.37Å; M142-I168 HydrophobicContact CG-CG2 4.44Å; M142-I168 PolarHBondContact N-O 2.69Å; M142-I168 HydrophobicContact SD-CG2 3.8Å; M142-A170 HydrophobicContact CG-CB 3.61Å; M142-A170 HydrophobicContact SD-CB 3.69Å; M142-H318 WeakPolarHBondContact CE-CD2 3.47Å; M142-H318 WeakPolarHBondContact CE-NE2 3.13Å; M142-T322 HydrophobicContact CE-CG2 4.47Å
143N92.1Very high92.2Very high30 Ų3030 Ų3016%0.1616%0.159CC..  trans-124.8-174168.770.78.3000109.5N145 F146 S189 K190 T322N143-N145 PolarHBondContact O-N 3.34Å; N143-N145 VanDerWaalsContact O-N 3.14Å; N143-N145 WeakPolarHBondContact OD1-CA 3.33Å; N143-N145 WeakPolarHBondContact OD1-CB 3.07Å; N143-N145 PolarHBondContact OD1-N 3.42Å; N143-F146 WeakPolarHBondContact O-CB 3.46Å; N143-F146 PolarHBondContact O-N 3.33Å; N143-F146 PolarHBondContact OD1-N 3.37Å; N143-S189 PolarHBondContact ND2-O 3.28Å; N143-K190 PolarHBondContact ND2-O 2.82Å; N143-T322 WeakPolarHBondContact O-CG2 3.39Å
144E91.4Very high93.1Very high113 Ų11327.3 Ų27.353%0.52816%0.163SC..THydrogen-bonded Turntrans-62.5-16.1-18068.2-84.1-169.200114.5T322 H324E144-T322 CarbonylContact O-C 3.52Å; E144-T322 VanDerWaalsContact O-CA 3.3Å; E144-T322 WeakPolarHBondContact O-CA 3.43Å; E144-H324 PolarHBondContact O-CE1 3.5Å; E144-H324 PolarHBondContact O-ND1 2.82Å
145N93.1Very high93.7Very high43 Ų4325.2 Ų25.223%0.2315%0.15CC..THydrogen-bonded Turntrans-99.74-179.4-54.8-46.9000113.1N143 G147 D148 F149 S189 T322N143-N145 PolarHBondContact O-N 3.34Å; N143-N145 VanDerWaalsContact O-N 3.14Å; N143-N145 WeakPolarHBondContact OD1-CA 3.33Å; N143-N145 WeakPolarHBondContact OD1-CB 3.07Å; N143-N145 PolarHBondContact OD1-N 3.42Å; N145-G147 VanDerWaalsContact C-N 3.31Å; N145-G147 PolarHBondContact O-N 2.9Å; N145-D148 PolarHBondContact O-N 2.93Å; N145-F149 PolarHBondContact O-N 3.45Å; N145-S189 PolarHBondContact ND2-O 2.83Å; N145-T322 CarbonylContact C-O 3.51Å
146F94.9Very high94Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-58.7-40.6-173.2179.8-100.8000113V140 M142 N143 F149 V150 V157 A170 V172 I191 L319 T322V140-F146 HydrophobicContact CG2-CD2 4.28Å; V140-F146 HydrophobicContact CG2-CE2 3.73Å; M142-F146 HydrophobicContact CB-CB 4.45Å; M142-F146 HydrophobicContact CB-CG 4.45Å; M142-F146 HydrophobicContact CE-CB 4.38Å; M142-F146 HydrophobicContact CE-CD1 3.48Å; M142-F146 VanDerWaalsContact CE-CD1 3.48Å; M142-F146 HydrophobicContact CE-CE1 3.86Å; M142-F146 HydrophobicContact CE-CG 3.96Å; M142-F146 HydrophobicContact CG-CD1 4.38Å; M142-F146 HydrophobicContact CG-CD2 4.06Å; M142-F146 HydrophobicContact CG-CE2 4.32Å; M142-F146 HydrophobicContact CG-CG 4.09Å; N143-F146 WeakPolarHBondContact O-CB 3.46Å; N143-F146 PolarHBondContact O-N 3.33Å; N143-F146 PolarHBondContact OD1-N 3.37Å; F146-F149 HydrophobicContact CD2-CD1 4.02Å; F146-F149 HydrophobicContact CE2-CD1 4.05Å; F146-F149 HydrophobicContact CE2-CE1 4.18Å; F146-F149 WeakPolarHBondContact O-CB 3.47Å; F146-F149 PolarHBondContact O-N 3.07Å; F146-V150 HydrophobicContact CD1-CG2 4.1Å; F146-V150 HydrophobicContact CE1-CG2 3.69Å; F146-V150 HydrophobicContact CE2-CG2 4.24Å; F146-V150 HydrophobicContact CZ-CG2 3.76Å; F146-V150 VanDerWaalsContact O-CG2 3.31Å; F146-V150 WeakPolarHBondContact O-CG2 3.31Å; F146-V150 PolarHBondContact O-N 3.21Å; F146-V157 HydrophobicContact CE1-CG1 4.45Å; F146-V157 HydrophobicContact CE1-CG2 4.42Å; F146-V157 HydrophobicContact CZ-CG1 4.37Å; F146-V157 HydrophobicContact CZ-CG2 4.26Å; F146-A170 HydrophobicContact CE1-CB 4.2Å; F146-A170 HydrophobicContact CE2-CB 3.73Å; F146-A170 HydrophobicContact CZ-CB 3.45Å; F146-A170 VanDerWaalsContact CZ-CB 3.45Å; F146-V172 HydrophobicContact CE2-CG1 3.91Å; F146-V172 HydrophobicContact CZ-CG1 3.78Å; F146-I191 HydrophobicContact CD2-CD1 4.37Å; F146-L319 HydrophobicContact CD1-CD1 3.69Å; F146-L319 HydrophobicContact CE1-CD1 3.69Å; F146-T322 HydrophobicContact CB-CG2 4.27Å
147G94.6Very high94.1Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-66.9-39.217800000112.4N145 V150 I151 T322N145-G147 VanDerWaalsContact C-N 3.31Å; N145-G147 PolarHBondContact O-N 2.9Å; G147-V150 PolarHBondContact O-N 3.28Å; G147-I151 VanDerWaalsContact O-CG1 3.3Å; G147-I151 WeakPolarHBondContact O-CG1 3.46Å; G147-I151 PolarHBondContact O-N 3.23Å; G147-T322 VanDerWaalsContact CA-O 3.25Å; G147-T322 WeakPolarHBondContact CA-O 3.47Å; G147-T322 WeakPolarHBondContact CA-OG1 3.22Å; G147-T322 PolarHBondContact N-O 3.48Å; G147-T322 PolarHBondContact N-OG1 3.43Å
148D94.7Very high93.9Very high40 Ų4022.9 Ų22.921%0.21414%0.142CC..Hα-helixtrans-67-37.6173.5-65.3-46.3000111.8N145 I151 S152 T322 H324N145-D148 PolarHBondContact O-N 2.93Å; D148-I151 PolarHBondContact O-N 3.08Å; D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.47Å; D148-S152 PolarHBondContact O-N 2.95Å; D148-S152 PolarHBondContact O-OG 2.84Å; D148-T322 PolarHBondContact N-O 3.46Å; D148-H324 PolarHBondContact OD1-N 2.75Å; D148-H324 WeakPolarHBondContact OD2-CB 3.47Å; D148-H324 IonicContact OD2-CG 3.88Å; D148-H324 PolarHBondContact OD2-N 3.41Å; D148-H324 IonicContact OD2-ND1 3.45Å; D148-H324 PolarHBondContact OD2-ND1 3.18Å
149F95.5Very high93.5Very high0 Ų023.9 Ų23.90%015%0.151CC..Hα-helixtrans-59.6-47.2170159.8-101000111.3N145 F146 I151 S152 T153 V155 V172 V182 V185 T186 I191N145-F149 PolarHBondContact O-N 3.45Å; F146-F149 HydrophobicContact CD2-CD1 4.02Å; F146-F149 HydrophobicContact CE2-CD1 4.05Å; F146-F149 HydrophobicContact CE2-CE1 4.18Å; F146-F149 WeakPolarHBondContact O-CB 3.47Å; F146-F149 PolarHBondContact O-N 3.07Å; F149-I151 PolarHBondContact O-N 3.17Å; F149-S152 WeakPolarHBondContact CA-OG 3.28Å; F149-S152 PolarHBondContact O-N 2.89Å; F149-S152 PolarHBondContact O-OG 2.76Å; F149-T153 HydrophobicContact CD2-CG2 3.72Å; F149-T153 HydrophobicContact CE2-CG2 3.6Å; F149-T153 HydrophobicContact CZ-CG2 4.4Å; F149-T153 WeakPolarHBondContact O-CB 3.27Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 2.95Å; F149-T153 PolarHBondContact O-OG1 2.9Å; F149-V155 HydrophobicContact CE1-CG2 3.84Å; F149-V155 HydrophobicContact CZ-CG1 4.4Å; F149-V155 HydrophobicContact CZ-CG2 4.21Å; F149-V172 HydrophobicContact CE1-CG1 4.35Å; F149-V172 HydrophobicContact CE1-CG2 4.37Å; F149-V172 HydrophobicContact CZ-CG2 4.45Å; F149-V182 HydrophobicContact CE2-CG1 4.05Å; F149-V182 HydrophobicContact CZ-CG1 3.86Å; F149-V185 HydrophobicContact CD2-CB 4.3Å; F149-V185 HydrophobicContact CD2-CG1 3.94Å; F149-V185 HydrophobicContact CE2-CB 4.5Å; F149-T186 HydrophobicContact CD2-CG2 4.14Å; F149-T186 HydrophobicContact CE2-CG2 3.4Å; F149-T186 VanDerWaalsContact CE2-CG2 3.4Å; F149-T186 HydrophobicContact CZ-CG2 3.73Å; F149-I191 HydrophobicContact CB-CD1 3.32Å; F149-I191 HydrophobicContact CD1-CD1 3.78Å; F149-I191 HydrophobicContact CD2-CD1 4Å; F149-I191 HydrophobicContact CG-CD1 3.42Å; F149-I191 VanDerWaalsContact CG-CD1 3.42Å
150V96.3Very high93.1Very high1 Ų123 Ų231%0.00615%0.145CC..Hα-helixtrans-61.1-46.1177.7171.10000110.9L9 A12 F146 G147 T153 G154 V155 V157 L319L9-V150 HydrophobicContact CD2-CB 4.19Å; L9-V150 HydrophobicContact CD2-CG1 3.92Å; A12-V150 HydrophobicContact CB-CG1 3.29Å; F146-V150 HydrophobicContact CD1-CG2 4.1Å; F146-V150 HydrophobicContact CE1-CG2 3.69Å; F146-V150 HydrophobicContact CE2-CG2 4.24Å; F146-V150 HydrophobicContact CZ-CG2 3.76Å; F146-V150 VanDerWaalsContact O-CG2 3.31Å; F146-V150 WeakPolarHBondContact O-CG2 3.31Å; F146-V150 PolarHBondContact O-N 3.21Å; G147-V150 PolarHBondContact O-N 3.28Å; V150-T153 PolarHBondContact O-N 3.21Å; V150-G154 WeakPolarHBondContact O-CA 3.08Å; V150-G154 PolarHBondContact O-N 3.4Å; V150-V155 HydrophobicContact CG2-CG2 4.16Å; V150-V157 HydrophobicContact CG1-CG2 4.04Å; V150-V157 HydrophobicContact CG2-CG2 3.68Å; V150-L319 HydrophobicContact CG2-CD1 4.3Å
151I95.2Very high92.4Very high28 Ų2825.4 Ų25.414%0.14416%0.158CC..Hα-helixtrans-63.3-45.1179.4-71.3164.1000111.8M1 K5 L9 G147 D148 F149 V323M1-I151 HydrophobicContact CE-CD1 4.08Å; K5-I151 HydrophobicContact CB-CD1 4.19Å; K5-I151 HydrophobicContact CD-CD1 4.47Å; L9-I151 HydrophobicContact CD1-CD1 4.22Å; L9-I151 HydrophobicContact CD2-CD1 4.05Å; L9-I151 HydrophobicContact CD2-CG1 3.72Å; L9-I151 HydrophobicContact CG-CD1 4.05Å; L9-I151 HydrophobicContact CG-CG1 3.93Å; G147-I151 VanDerWaalsContact O-CG1 3.3Å; G147-I151 WeakPolarHBondContact O-CG1 3.46Å; G147-I151 PolarHBondContact O-N 3.23Å; D148-I151 PolarHBondContact O-N 3.08Å; F149-I151 PolarHBondContact O-N 3.17Å; I151-V323 HydrophobicContact CD1-CG1 3.93Å; I151-V323 HydrophobicContact CD1-CG2 4.23Å
152S95Very high91.8Very high68 Ų6827 Ų2748%0.47617%0.165SC..Hα-helixtrans-72.3-30.7-177.758.40000112.8D148 F149D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.47Å; D148-S152 PolarHBondContact O-N 2.95Å; D148-S152 PolarHBondContact O-OG 2.84Å; F149-S152 WeakPolarHBondContact CA-OG 3.28Å; F149-S152 PolarHBondContact O-N 2.89Å; F149-S152 PolarHBondContact O-OG 2.76Å
153T95.8Very high91.6Very high7 Ų735.3 Ų35.34%0.04320%0.201CC..Hα-helixtrans-93.5-30.2-177.560.10000114F149 V150 V155 R181 V185F149-T153 HydrophobicContact CD2-CG2 3.72Å; F149-T153 HydrophobicContact CE2-CG2 3.6Å; F149-T153 HydrophobicContact CZ-CG2 4.4Å; F149-T153 WeakPolarHBondContact O-CB 3.27Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 2.95Å; F149-T153 PolarHBondContact O-OG1 2.9Å; V150-T153 PolarHBondContact O-N 3.21Å; T153-V155 WeakPolarHBondContact OG1-CG1 3.48Å; T153-V155 WeakPolarHBondContact OG1-CG2 3.47Å; T153-R181 PolarHBondContact O-NH1 3.4Å; T153-R181 PolarHBondContact O-NH2 2.73Å; T153-V185 HydrophobicContact CG2-CB 3.68Å; T153-V185 HydrophobicContact CG2-CG1 3.76Å; T153-V185 HydrophobicContact CG2-CG2 3.81Å
154G93.7Very high91.3Very high63 Ų6336.2 Ų36.265%0.64921%0.21SC*.  trans68.422.6-17200000113.4V150V150-G154 WeakPolarHBondContact O-CA 3.08Å; V150-G154 PolarHBondContact O-N 3.4Å
155V94.8Very high91Very high3 Ų339.6 Ų39.62%0.01823%0.232CC..  trans-65.6149.1176.2-66.50000111.5A12 F149 V150 T153 V172 T173 C174 V182A12-V155 WeakPolarHBondContact CB-O 3.45Å; F149-V155 HydrophobicContact CE1-CG2 3.84Å; F149-V155 HydrophobicContact CZ-CG1 4.4Å; F149-V155 HydrophobicContact CZ-CG2 4.21Å; V150-V155 HydrophobicContact CG2-CG2 4.16Å; T153-V155 WeakPolarHBondContact OG1-CG1 3.48Å; T153-V155 WeakPolarHBondContact OG1-CG2 3.47Å; V155-V172 HydrophobicContact CB-CB 4.22Å; V155-V172 HydrophobicContact CG2-CB 4Å; V155-V172 HydrophobicContact CG2-CG1 4.11Å; V155-T173 WeakPolarHBondContact CA-O 3.27Å; V155-T173 WeakPolarHBondContact CB-O 3.18Å; V155-C174 HydrophobicContact CG1-CB 4.07Å; V155-V182 HydrophobicContact CG1-CB 4.42Å; V155-V182 HydrophobicContact CG1-CG1 3.82Å; V155-V182 HydrophobicContact CG1-CG2 3.62Å
156G93.2Very high90.5Very high8 Ų840.6 Ų40.68%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-73.1142.6165.600000111A12 V172 T173A12-G156 CarbonylContact O-C 3.58Å; G156-V172 CarbonylContact O-C 3.51Å; G156-V172 WeakPolarHBondContact O-CA 3.44Å; G156-V172 VanDerWaalsContact O-CB 3.31Å; G156-V172 WeakPolarHBondContact O-CB 3.27Å; G156-T173 PolarHBondContact N-O 3.3Å; G156-T173 PolarHBondContact O-N 3.06Å
157V93.1Very high90.1Very high0 Ų042.1 Ų42.10%026%0.262CS..EExtended strand (participates in β ladder)trans-113.395.2177.7-178.40000108.5A12 K106 F146 V150 T160 V172A12-V157 HydrophobicContact CB-CG2 4.21Å; A12-V157 PolarHBondContact O-N 2.89Å; K106-V157 WeakPolarHBondContact CE-O 3.31Å; K106-V157 PolarHBondContact NZ-O 2.84Å; F146-V157 HydrophobicContact CE1-CG1 4.45Å; F146-V157 HydrophobicContact CE1-CG2 4.42Å; F146-V157 HydrophobicContact CZ-CG1 4.37Å; F146-V157 HydrophobicContact CZ-CG2 4.26Å; V150-V157 HydrophobicContact CG1-CG2 4.04Å; V150-V157 HydrophobicContact CG2-CG2 3.68Å; V157-T160 HydrophobicContact CG1-CG2 3.21Å; V157-V172 HydrophobicContact CG2-CG1 4.27Å
158C87.6Confident90Very high1 Ų145.2 Ų45.21%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-70-48.2-178.3-61.60000111.4K106 I171 T173K106-C158 WeakPolarHBondContact CE-O 3.36Å; K106-C158 PolarHBondContact NZ-O 2.8Å; C158-I171 HydrophobicContact CB-CB 4.31Å; C158-I171 HydrophobicContact CB-CG2 4.05Å; C158-I171 PolarHBondContact N-O 2.82Å; C158-T173 WeakPolarHBondContact SG-CG2 3.38Å
159A85.6Confident89.9Confident22 Ų2243.6 Ų43.618%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-144.3147.2-178.400000110.1I162 A170 I171A159-I162 HydrophobicContact CB-CD1 3.78Å; A159-I162 HydrophobicContact CB-CG1 4.44Å; A159-A170 CarbonylContact O-C 3.58Å; A159-A170 VanDerWaalsContact O-CA 3.26Å; A159-A170 WeakPolarHBondContact O-CA 3.44Å; A159-A170 WeakPolarHBondContact O-CB 3.49Å; A159-I171 HydrophobicContact CB-CB 4.36Å; A159-I171 HydrophobicContact CB-CD1 4.37Å; A159-I171 PolarHBondContact N-O 3.23Å; A159-I171 PolarHBondContact O-N 2.78Å
160T86.5Confident89.8Confident9 Ų943.6 Ų43.66%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-131.5176.1176.968.20000109.6V157 I162 D315V157-T160 HydrophobicContact CG1-CG2 3.21Å; T160-I162 PolarHBondContact O-N 2.91Å; T160-I162 VanDerWaalsContact O-N 3.1Å; T160-D315 WeakPolarHBondContact OG1-CB 3.4Å
161N81Confident89.7Confident51 Ų5145.1 Ų45.127%0.27328%0.277SS..EExtended strand (participates in β ladder)trans6121.9173.7-69-38.1000114.8K163 D315 H318N161-K163 PolarHBondContact O-N 2.74Å; N161-D315 WeakPolarHBondContact ND2-CA 3.45Å; N161-D315 PolarHBondContact ND2-OD1 3.33Å; N161-H318 PolarHBondContact OD1-CD2 3.38Å; N161-H318 PolarHBondContact OD1-NE2 3.06Å
162I82.9Confident89.7Confident61 Ų6143.8 Ų43.831%0.31327%0.27SS..EExtended strand (participates in β ladder)trans-79.3110.2179.8-58.5164000108.4A159 T160 S164 I168 T169 I171A159-I162 HydrophobicContact CB-CD1 3.78Å; A159-I162 HydrophobicContact CB-CG1 4.44Å; T160-I162 PolarHBondContact O-N 2.91Å; T160-I162 VanDerWaalsContact O-N 3.1Å; I162-S164 PolarHBondContact O-N 2.86Å; I162-I168 CarbonylContact O-C 3.55Å; I162-T169 WeakPolarHBondContact CB-O 3.37Å; I162-T169 WeakPolarHBondContact CB-OG1 3.41Å; I162-T169 PolarHBondContact N-O 2.81Å; I162-T169 PolarHBondContact O-N 2.63Å; I162-T169 PolarHBondContact O-OG1 2.84Å; I162-I171 HydrophobicContact CD1-CD1 3.8Å; I162-I171 HydrophobicContact CD1-CG1 3.86Å
163K86.3Confident89.5Confident193 Ų19340.8 Ų40.884%0.83925%0.249SC*.EExtended strand (participates in β ladder)trans-71.9123.8175-67.8-176.8-179.9178.60110.4N161N161-K163 PolarHBondContact O-N 2.74Å
164S86.2Confident89.4Confident50 Ų5041 Ų4135%0.3525%0.25SS..EExtended strand (participates in β ladder)trans-131.5171.9175.578.10000110.8I162 A166 G167 T169I162-S164 PolarHBondContact O-N 2.86Å; S164-A166 PolarHBondContact O-N 3.44Å; S164-A166 PolarHBondContact OG-N 2.91Å; S164-A166 VanDerWaalsContact OG-N 3.14Å; S164-G167 PolarHBondContact N-O 3.21Å; S164-G167 PolarHBondContact O-N 3.33Å; S164-G167 VanDerWaalsContact O-N 3.08Å; S164-G167 PolarHBondContact OG-N 2.69Å; S164-G167 PolarHBondContact OG-O 2.73Å; S164-T169 WeakPolarHBondContact OG-CG2 3.28Å
165N85.6Confident89.2Confident184 Ų18439.3 Ų39.398%0.98423%0.228SC*.THydrogen-bonded Turntrans-60.1-25.2172.2-68.1-15.1000112.8G167N165-G167 VanDerWaalsContact C-N 3.35Å
166A81.4Confident89Confident63 Ų6344.6 Ų44.652%0.52125%0.252SS..THydrogen-bonded Turntrans-87-2.8179.100000113.4V141 S164V141-A166 WeakPolarHBondContact CG1-O 3.36Å; V141-A166 HydrophobicContact CG2-CB 3.92Å; S164-A166 PolarHBondContact O-N 3.44Å; S164-A166 PolarHBondContact OG-N 2.91Å; S164-A166 VanDerWaalsContact OG-N 3.14Å
167G87.4Confident88.9Confident33 Ų3349.4 Ų49.434%0.3428%0.284SS..EExtended strand (participates in β ladder)trans114.6-159.7-174.500000112.7S164 N165S164-G167 PolarHBondContact N-O 3.21Å; S164-G167 PolarHBondContact O-N 3.33Å; S164-G167 VanDerWaalsContact O-N 3.08Å; S164-G167 PolarHBondContact OG-N 2.69Å; S164-G167 PolarHBondContact OG-O 2.73Å; N165-G167 VanDerWaalsContact C-N 3.35Å
168I91.4Very high89Confident65 Ų6551.8 Ų51.833%0.33330%0.297SS..EExtended strand (participates in β ladder)trans-74.5129.5174.5-59.2175.2000108.1M142 I162M142-I168 HydrophobicContact CB-CG2 4.37Å; M142-I168 HydrophobicContact CG-CG2 4.44Å; M142-I168 PolarHBondContact N-O 2.69Å; M142-I168 HydrophobicContact SD-CG2 3.8Å; I162-I168 CarbonylContact O-C 3.55Å
169T93.8Very high89.3Confident6 Ų653.6 Ų53.64%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-120.5151.6-178.351.20000110.9V140 V141 I162 S164V140-T169 CarbonylContact O-C 3.4Å; V140-T169 WeakPolarHBondContact O-CA 3.4Å; V140-T169 WeakPolarHBondContact O-CB 3.35Å; V141-T169 HydrophobicContact CG2-CG2 4.13Å; I162-T169 WeakPolarHBondContact CB-O 3.37Å; I162-T169 WeakPolarHBondContact CB-OG1 3.41Å; I162-T169 PolarHBondContact N-O 2.81Å; I162-T169 PolarHBondContact O-N 2.63Å; I162-T169 PolarHBondContact O-OG1 2.84Å; S164-T169 WeakPolarHBondContact OG-CG2 3.28Å
170A93.7Very high89.8Confident0 Ų060.1 Ų60.10%033%0.331CS..EExtended strand (participates in β ladder)trans-122.7151.9170.800000109.9V140 M142 F146 A159V140-A170 HydrophobicContact CG2-CB 4.18Å; V140-A170 PolarHBondContact N-O 2.9Å; V140-A170 PolarHBondContact O-N 3.34Å; M142-A170 HydrophobicContact CG-CB 3.61Å; M142-A170 HydrophobicContact SD-CB 3.69Å; F146-A170 HydrophobicContact CE1-CB 4.2Å; F146-A170 HydrophobicContact CE2-CB 3.73Å; F146-A170 HydrophobicContact CZ-CB 3.45Å; F146-A170 VanDerWaalsContact CZ-CB 3.45Å; A159-A170 CarbonylContact O-C 3.58Å; A159-A170 VanDerWaalsContact O-CA 3.26Å; A159-A170 WeakPolarHBondContact O-CA 3.44Å; A159-A170 WeakPolarHBondContact O-CB 3.49Å
171I93.2Very high90.3Very high33 Ų3364.1 Ų64.117%0.16935%0.345CS..EExtended strand (participates in β ladder)trans-106.1117.4169.7-62.2174.3000106.7R137 L138 C158 A159 I162R137-I171 HydrophobicContact CG-CG2 3.42Å; R137-I171 VanDerWaalsContact CG-CG2 3.42Å; L138-I171 WeakPolarHBondContact O-CA 3.39Å; C158-I171 HydrophobicContact CB-CB 4.31Å; C158-I171 HydrophobicContact CB-CG2 4.05Å; C158-I171 PolarHBondContact N-O 2.82Å; A159-I171 HydrophobicContact CB-CB 4.36Å; A159-I171 HydrophobicContact CB-CD1 4.37Å; A159-I171 PolarHBondContact N-O 3.23Å; A159-I171 PolarHBondContact O-N 2.78Å; I162-I171 HydrophobicContact CD1-CD1 3.8Å; I162-I171 HydrophobicContact CD1-CG1 3.86Å
172V94.8Very high91Very high0 Ų061.7 Ų61.70%033%0.332CS..EExtended strand (participates in β ladder)trans-114.2153176.6-57.60000111.3R137 L138 V140 F146 F149 V155 G156 V157R137-V172 CarbonylContact C-O 3.46Å; R137-V172 WeakPolarHBondContact CA-O 3.28Å; L138-V172 HydrophobicContact CB-CG2 3.84Å; L138-V172 PolarHBondContact N-O 3.06Å; L138-V172 PolarHBondContact O-N 3.27Å; V140-V172 HydrophobicContact CG1-CG2 4.37Å; V140-V172 HydrophobicContact CG2-CG1 4.43Å; F146-V172 HydrophobicContact CE2-CG1 3.91Å; F146-V172 HydrophobicContact CZ-CG1 3.78Å; F149-V172 HydrophobicContact CE1-CG1 4.35Å; F149-V172 HydrophobicContact CE1-CG2 4.37Å; F149-V172 HydrophobicContact CZ-CG2 4.45Å; V155-V172 HydrophobicContact CB-CB 4.22Å; V155-V172 HydrophobicContact CG2-CB 4Å; V155-V172 HydrophobicContact CG2-CG1 4.11Å; G156-V172 CarbonylContact O-C 3.51Å; G156-V172 WeakPolarHBondContact O-CA 3.44Å; G156-V172 VanDerWaalsContact O-CB 3.31Å; G156-V172 WeakPolarHBondContact O-CB 3.27Å; V157-V172 HydrophobicContact CG2-CG1 4.27Å
173T92.6Very high91.7Very high5 Ų560.4 Ų60.43%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-127.4143.6178.550.60000111.4S136 R137 V155 G156 C158S136-T173 VanDerWaalsContact O-CA 3.28Å; S136-T173 WeakPolarHBondContact O-CA 3.37Å; R137-T173 HydrophobicContact CB-CG2 4.13Å; R137-T173 HydrophobicContact CG-CG2 4.38Å; V155-T173 WeakPolarHBondContact CA-O 3.27Å; V155-T173 WeakPolarHBondContact CB-O 3.18Å; G156-T173 PolarHBondContact N-O 3.3Å; G156-T173 PolarHBondContact O-N 3.06Å; C158-T173 WeakPolarHBondContact SG-CG2 3.38Å
174C92.7Very high92.2Very high11 Ų1154.6 Ų54.67%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-143.2166174.469.80000110.5L135 S136 V155 D178 V182L135-C174 CarbonylContact C-O 3.54Å; L135-C174 WeakPolarHBondContact CA-O 3.26Å; S136-C174 PolarHBondContact N-O 3.16Å; S136-C174 PolarHBondContact O-N 3.13Å; V155-C174 HydrophobicContact CG1-CB 4.07Å; C174-D178 HydrophobicContact CB-CB 4.18Å; C174-V182 HydrophobicContact CB-CG2 3.88Å
175T90.6Very high92.7Very high28 Ų2853.1 Ų53.117%0.17229%0.294CS..EExtended strand (participates in β ladder)trans-65.2152.7168.7740000109.9S177 D178 L179T175-S177 PolarHBondContact O-N 2.93Å; T175-S177 PolarHBondContact OG1-OG 3.17Å; T175-D178 PolarHBondContact O-N 3.29Å; T175-D178 WeakPolarHBondContact OG1-CB 3.5Å; T175-D178 PolarHBondContact OG1-N 3.43Å; T175-D178 VanDerWaalsContact OG1-N 3.13Å; T175-D178 PolarHBondContact OG1-OD2 3.32Å; T175-L179 PolarHBondContact O-N 3.39Å
176E88.6Confident93.2Very high113 Ų11344.5 Ų44.553%0.52825%0.248SC..G310 helixtrans-57.4-35.8173.4-170.7179.3178.900112T134 D178 L179T134-E176 PolarHBondContact O-N 2.84Å; E176-D178 VanDerWaalsContact C-N 3.28Å; E176-D178 PolarHBondContact O-N 3.24Å; E176-L179 WeakPolarHBondContact O-CB 3.33Å; E176-L179 PolarHBondContact O-N 3.17Å
177S91.9Very high93.8Very high109 Ų10948.3 Ų48.376%0.76226%0.255SS*.G310 helixtrans-64.7-28.5175.239.50000114T175T175-S177 PolarHBondContact O-N 2.93Å; T175-S177 PolarHBondContact OG1-OG 3.17Å
178D94.3Very high94.2Very high50 Ų5054.1 Ų54.127%0.26727%0.273SS..G310 helixtrans-87.3-14.6178.5-77.9-61.8000113.3C174 T175 E176 K180 R181 V182C174-D178 HydrophobicContact CB-CB 4.18Å; T175-D178 PolarHBondContact O-N 3.29Å; T175-D178 WeakPolarHBondContact OG1-CB 3.5Å; T175-D178 PolarHBondContact OG1-N 3.43Å; T175-D178 VanDerWaalsContact OG1-N 3.13Å; T175-D178 PolarHBondContact OG1-OD2 3.32Å; E176-D178 VanDerWaalsContact C-N 3.28Å; E176-D178 PolarHBondContact O-N 3.24Å; D178-K180 VanDerWaalsContact C-N 3.34Å; D178-K180 PolarHBondContact O-N 2.79Å; D178-R181 WeakPolarHBondContact O-CB 3.22Å; D178-R181 PolarHBondContact O-N 3.22Å; D178-R181 IonicContact OD1-CZ 3.18Å; D178-R181 IonicContact OD1-NE 3.91Å; D178-R181 PolarHBondContact OD1-NE 2.99Å; D178-R181 IonicContact OD1-NH2 3.81Å; D178-R181 PolarHBondContact OD1-NH2 3.35Å; D178-V182 HydrophobicContact CB-CG2 4.27Å; D178-V182 WeakPolarHBondContact O-CG2 3.22Å; D178-V182 PolarHBondContact O-N 3.38Å
179L95Very high94.3Very high40 Ų4051.9 Ų51.921%0.20926%0.263CS..Hα-helixtrans-53.1-47.7-168.8177.261000113L138 T175 E176 R181 V182 V183 I196L138-L179 HydrophobicContact CD1-CD1 3.81Å; L138-L179 HydrophobicContact CD2-CD1 4.19Å; L138-L179 HydrophobicContact CG-CD1 4.28Å; T175-L179 PolarHBondContact O-N 3.39Å; E176-L179 WeakPolarHBondContact O-CB 3.33Å; E176-L179 PolarHBondContact O-N 3.17Å; L179-R181 PolarHBondContact O-N 2.81Å; L179-V182 PolarHBondContact O-N 3.05Å; L179-V183 HydrophobicContact CD1-CG2 4.05Å; L179-V183 WeakPolarHBondContact O-CG2 3.48Å; L179-V183 PolarHBondContact O-N 3.39Å; L179-I196 HydrophobicContact CD1-CG2 3.98Å; L179-I196 HydrophobicContact CD2-CG2 4.27Å
180K96Very high94.3Very high158 Ų15859.6 Ų59.669%0.68730%0.296SS*.Hα-helixtrans-58.5-49.7179.9-177.9-179.9176.3-1760111.3D178 V182 V183 D184D178-K180 VanDerWaalsContact C-N 3.34Å; D178-K180 PolarHBondContact O-N 2.79Å; K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 3.06Å; K180-V183 PolarHBondContact O-N 2.95Å; K180-D184 PolarHBondContact O-N 3.2Å
181R96.7Very high94.4Very high94 Ų9460 Ų6036%0.35530%0.298SS..Hα-helixtrans-59.7-43.6178.6-179.4-175.666.786.6-0.3111.1T153 D178 L179 D184 V185T153-R181 PolarHBondContact O-NH1 3.4Å; T153-R181 PolarHBondContact O-NH2 2.73Å; D178-R181 WeakPolarHBondContact O-CB 3.22Å; D178-R181 PolarHBondContact O-N 3.22Å; D178-R181 IonicContact OD1-CZ 3.18Å; D178-R181 IonicContact OD1-NE 3.91Å; D178-R181 PolarHBondContact OD1-NE 2.99Å; D178-R181 IonicContact OD1-NH2 3.81Å; D178-R181 PolarHBondContact OD1-NH2 3.35Å; L179-R181 PolarHBondContact O-N 2.81Å; R181-D184 PolarHBondContact O-N 3.13Å; R181-V185 WeakPolarHBondContact O-CG2 3.48Å; R181-V185 PolarHBondContact O-N 3.44Å
182V97.1Very high94.4Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-61.5-45.7178.6172.40000111L138 F149 V155 C174 D178 L179 K180 V185 T186L138-V182 HydrophobicContact CD2-CG1 4.05Å; F149-V182 HydrophobicContact CE2-CG1 4.05Å; F149-V182 HydrophobicContact CZ-CG1 3.86Å; V155-V182 HydrophobicContact CG1-CB 4.42Å; V155-V182 HydrophobicContact CG1-CG1 3.82Å; V155-V182 HydrophobicContact CG1-CG2 3.62Å; C174-V182 HydrophobicContact CB-CG2 3.88Å; D178-V182 HydrophobicContact CB-CG2 4.27Å; D178-V182 WeakPolarHBondContact O-CG2 3.22Å; D178-V182 PolarHBondContact O-N 3.38Å; L179-V182 PolarHBondContact O-N 3.05Å; K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 3.06Å; V182-V185 PolarHBondContact O-N 3.22Å; V182-T186 WeakPolarHBondContact O-CG2 3.44Å; V182-T186 PolarHBondContact O-N 3.07Å
183V96.8Very high94.5Very high33 Ų3364.5 Ų64.520%0.233%0.33CS..Hα-helixtrans-62.3-45.3177.1173.10000111L138 L179 K180 V185 T186 E187 I196L138-V183 HydrophobicContact CD2-CG2 4.04Å; L179-V183 HydrophobicContact CD1-CG2 4.05Å; L179-V183 WeakPolarHBondContact O-CG2 3.48Å; L179-V183 PolarHBondContact O-N 3.39Å; K180-V183 PolarHBondContact O-N 2.95Å; V183-V185 VanDerWaalsContact C-N 3.3Å; V183-V185 PolarHBondContact O-N 3.18Å; V183-T186 PolarHBondContact O-N 2.69Å; V183-T186 PolarHBondContact O-OG1 2.7Å; V183-E187 PolarHBondContact O-N 2.94Å; V183-I196 HydrophobicContact CG2-CD1 3.85Å
184D96.8Very high94.6Very high71 Ų7168.4 Ų68.438%0.3835%0.354SS..Hα-helixtrans-56.8-44177.1-62.7-21000111K180 R181 T186 E187 E188K180-D184 PolarHBondContact O-N 3.2Å; R181-D184 PolarHBondContact O-N 3.13Å; D184-T186 VanDerWaalsContact C-N 3.33Å; D184-T186 PolarHBondContact O-N 2.79Å; D184-E187 PolarHBondContact O-N 3.34Å; D184-E188 PolarHBondContact O-N 2.83Å; D184-E188 VanDerWaalsContact O-N 3.16Å
185V96.8Very high94.6Very high20 Ų2069.8 Ų69.812%0.12136%0.364CS..Hα-helixtrans-68.5-30.1177.9-172.50000112.3F149 T153 R181 V182 V183 E187 E188 S189F149-V185 HydrophobicContact CD2-CB 4.3Å; F149-V185 HydrophobicContact CD2-CG1 3.94Å; F149-V185 HydrophobicContact CE2-CB 4.5Å; T153-V185 HydrophobicContact CG2-CB 3.68Å; T153-V185 HydrophobicContact CG2-CG1 3.76Å; T153-V185 HydrophobicContact CG2-CG2 3.81Å; R181-V185 WeakPolarHBondContact O-CG2 3.48Å; R181-V185 PolarHBondContact O-N 3.44Å; V182-V185 PolarHBondContact O-N 3.22Å; V183-V185 VanDerWaalsContact C-N 3.3Å; V183-V185 PolarHBondContact O-N 3.18Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.42Å; V185-E188 PolarHBondContact O-N 3.37Å; V185-S189 VanDerWaalsContact O-CB 3.25Å; V185-S189 WeakPolarHBondContact O-CB 3.37Å; V185-S189 PolarHBondContact O-N 3.13Å; V185-S189 PolarHBondContact O-OG 3.43Å
186T96.2Very high94.8Very high2 Ų272.1 Ų72.11%0.01238%0.375CS..Hα-helixtrans-62.8-40.1173.660.20000111.7F149 V182 V183 D184 S189 K190 I191 V193F149-T186 HydrophobicContact CD2-CG2 4.14Å; F149-T186 HydrophobicContact CE2-CG2 3.4Å; F149-T186 VanDerWaalsContact CE2-CG2 3.4Å; F149-T186 HydrophobicContact CZ-CG2 3.73Å; V182-T186 WeakPolarHBondContact O-CG2 3.44Å; V182-T186 PolarHBondContact O-N 3.07Å; V183-T186 PolarHBondContact O-N 2.69Å; V183-T186 PolarHBondContact O-OG1 2.7Å; D184-T186 VanDerWaalsContact C-N 3.33Å; D184-T186 PolarHBondContact O-N 2.79Å; T186-S189 CarbonylContact O-C 3.6Å; T186-S189 PolarHBondContact O-N 3.05Å; T186-K190 PolarHBondContact O-N 2.97Å; T186-I191 HydrophobicContact CG2-CB 4.3Å; T186-I191 HydrophobicContact CG2-CG2 4.06Å; T186-I191 PolarHBondContact O-N 3.31Å; T186-V193 HydrophobicContact CG2-CG2 4.01Å; T186-V193 WeakPolarHBondContact OG1-CG2 3.35Å
187E94.6Very high94.9Very high144 Ų14470.8 Ų70.867%0.67337%0.371SS*.Hα-helixtrans-64.9-46.7176.1-63.3-174.4176.400111.3V183 D184 V185 S189 K190V183-E187 PolarHBondContact O-N 2.94Å; D184-E187 PolarHBondContact O-N 3.34Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 3.42Å; E187-S189 VanDerWaalsContact C-N 3.29Å; E187-S189 PolarHBondContact O-N 3.3Å; E187-K190 PolarHBondContact O-N 2.69Å; E187-K190 VanDerWaalsContact O-N 3.12Å
188E94.3Very high94.5Very high154 Ų15469.9 Ų69.972%0.7236%0.361SS*.Hα-helixtrans-59.2-39.9176.8-68.3178.2175.600112.2D184 V185 K190D184-E188 PolarHBondContact O-N 2.83Å; D184-E188 VanDerWaalsContact O-N 3.16Å; V185-E188 PolarHBondContact O-N 3.37Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 3.27Å
189S93.7Very high93.6Very high19 Ų1968.6 Ų68.613%0.13335%0.354CS..THydrogen-bonded Turntrans-85.12.1-179.3-54.60000113.6N143 N145 V185 T186 E187 I191N143-S189 PolarHBondContact ND2-O 3.28Å; N145-S189 PolarHBondContact ND2-O 2.83Å; V185-S189 VanDerWaalsContact O-CB 3.25Å; V185-S189 WeakPolarHBondContact O-CB 3.37Å; V185-S189 PolarHBondContact O-N 3.13Å; V185-S189 PolarHBondContact O-OG 3.43Å; T186-S189 CarbonylContact O-C 3.6Å; T186-S189 PolarHBondContact O-N 3.05Å; E187-S189 VanDerWaalsContact C-N 3.29Å; E187-S189 PolarHBondContact O-N 3.3Å; S189-I191 PolarHBondContact O-N 2.83Å
190K94.4Very high92Very high167 Ų16774 Ų7473%0.72638%0.378SS*.THydrogen-bonded Turntrans56.231.7-175.5-53.7175.7-176.7171.40113.6N143 T186 E187 E188N143-K190 PolarHBondContact ND2-O 2.82Å; T186-K190 PolarHBondContact O-N 2.97Å; E187-K190 PolarHBondContact O-N 2.69Å; E187-K190 VanDerWaalsContact O-N 3.12Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 3.27Å
191I94.8Very high90.3Very high8 Ų874.2 Ų74.24%0.04138%0.379CS..PPolyproline II helixtrans-88.3123.7176.8-69.3172.3000108V140 F146 F149 T186 S189V140-I191 HydrophobicContact CB-CG2 3.67Å; V140-I191 HydrophobicContact CG1-CG2 4.15Å; V140-I191 HydrophobicContact CG2-CG2 4.15Å; F146-I191 HydrophobicContact CD2-CD1 4.37Å; F149-I191 HydrophobicContact CB-CD1 3.32Å; F149-I191 HydrophobicContact CD1-CD1 3.78Å; F149-I191 HydrophobicContact CD2-CD1 4Å; F149-I191 HydrophobicContact CG-CD1 3.42Å; F149-I191 VanDerWaalsContact CG-CD1 3.42Å; T186-I191 HydrophobicContact CG2-CB 4.3Å; T186-I191 HydrophobicContact CG2-CG2 4.06Å; T186-I191 PolarHBondContact O-N 3.31Å; S189-I191 PolarHBondContact O-N 2.83Å
192S94.8Very high88.7Confident75 Ų7570.4 Ų70.452%0.52437%0.366SS..EExtended strand (participates in β ladder)trans-82.7124178.9-61.90000110.6V140 V141V140-S192 CarbonylContact C-O 3.6Å; V140-S192 WeakPolarHBondContact CA-O 3.3Å; V141-S192 PolarHBondContact N-O 3.48Å
193V95.5Very high87.4Confident53 Ų5372.9 Ų72.932%0.32138%0.384SS..EExtended strand (participates in β ladder)trans-86.2122.2172.8-175.50000109.4L138 V140 T186 I196L138-V193 HydrophobicContact CD2-CG1 4.43Å; V140-V193 HydrophobicContact CG1-CG2 4.21Å; T186-V193 HydrophobicContact CG2-CG2 4.01Å; T186-V193 WeakPolarHBondContact OG1-CG2 3.35Å; V193-I196 HydrophobicContact CG1-CD1 4.04Å; V193-I196 HydrophobicContact CG1-CG1 3.6Å
194V94.2Very high86.4Confident88 Ų8873.6 Ų73.653%0.53339%0.385SS..EExtended strand (participates in β ladder)trans-88.6-45.9180-178.20000111T139 V141T139-V194 HydrophobicContact CG2-CB 4.04Å; T139-V194 HydrophobicContact CG2-CG2 4.39Å; T139-V194 WeakPolarHBondContact O-CB 3.26Å; T139-V194 PolarHBondContact O-N 3.16Å; V141-V194 HydrophobicContact CG2-CG2 3.69Å
195S94Very high85.8Confident39 Ų3970.3 Ų70.327%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-147.8153.817875.70000111L138 T139 D197L138-S195 WeakPolarHBondContact CA-O 3.22Å; T139-S195 WeakPolarHBondContact CB-OG 3.49Å; T139-S195 PolarHBondContact N-O 2.73Å; T139-S195 PolarHBondContact O-N 2.75Å; T139-S195 PolarHBondContact OG1-OG 2.9Å; T139-S195 VanDerWaalsContact OG1-OG 3.08Å; S195-D197 PolarHBondContact OG-OD2 3.48Å
196I93.9Very high85.5Confident78 Ų7869.3 Ų69.340%0.436%0.361SS..EExtended strand (participates in β ladder)trans-130.3123.7169.9-53.6-177.7000107.2R137 L138 L179 V183 V193R137-I196 CarbonylContact O-C 3.42Å; R137-I196 WeakPolarHBondContact O-CA 3.47Å; L138-I196 HydrophobicContact CD2-CD1 4.32Å; L138-I196 HydrophobicContact CD2-CG1 4.3Å; L138-I196 HydrophobicContact CG-CG1 4.09Å; L138-I196 HydrophobicContact CG-CG2 4.35Å; L179-I196 HydrophobicContact CD1-CG2 3.98Å; L179-I196 HydrophobicContact CD2-CG2 4.27Å; V183-I196 HydrophobicContact CG2-CD1 3.85Å; V193-I196 HydrophobicContact CG1-CD1 4.04Å; V193-I196 HydrophobicContact CG1-CG1 3.6Å
197D90.8Very high85.3Confident85 Ų8569.9 Ų69.946%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-126.7127.9-177.3-61.4-73.3000109.6R137 S195R137-D197 PolarHBondContact N-O 2.98Å; R137-D197 PolarHBondContact O-N 3.46Å; S195-D197 PolarHBondContact OG-OD2 3.48Å
198T84.1Confident85.3Confident90 Ų9063 Ų6355%0.55233%0.333SS*.EExtended strand (participates in β ladder)trans-79.1123.3171.6-53.70000109.5T134T134-T198 HydrophobicContact CG2-CG2 3.63Å
199I74.3Confident85.4Confident22 Ų2255.7 Ų55.711%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-108.3107177.2-47.6163.7000109.5L135 R137 T202L135-I199 PolarHBondContact N-O 2.99Å; L135-I199 VanDerWaalsContact N-O 3.16Å; L135-I199 WeakPolarHBondContact O-CA 3.36Å; L135-I199 PolarHBondContact O-N 2.8Å; R137-I199 HydrophobicContact CB-CD1 3.36Å; R137-I199 HydrophobicContact CB-CG1 4Å; R137-I199 HydrophobicContact CG-CD1 4.25Å; I199-T202 HydrophobicContact CB-CG2 4.34Å; I199-T202 HydrophobicContact CD1-CG2 3.86Å; I199-T202 HydrophobicContact CG2-CG2 3.4Å; I199-T202 VanDerWaalsContact CG2-CG2 3.4Å
200Q63.2Low85.5Confident155 Ų15555.4 Ų55.472%0.72430%0.296SS*.SBendtrans-74.1-36.7177.4-65.6-160.4-1600112.3
201K59.9Low85.6Confident162 Ų16247.5 Ų47.570%0.70426%0.261SS*.SBendtrans-155.7110.9175.8-67.4-177.8178.5164.60108.1S203K201-S203 PolarHBondContact O-N 2.98Å
202T62.8Low85.7Confident13 Ų1349.8 Ų49.88%0.0828%0.275CS..  trans-65.3118.7171.141.20000107.7I199 E204 E205I199-T202 HydrophobicContact CB-CG2 4.34Å; I199-T202 HydrophobicContact CD1-CG2 3.86Å; I199-T202 HydrophobicContact CG2-CG2 3.4Å; I199-T202 VanDerWaalsContact CG2-CG2 3.4Å; T202-E204 PolarHBondContact O-N 3.27Å; T202-E205 WeakPolarHBondContact CB-OE2 3.36Å; T202-E205 HydrophobicContact CG2-CG 4.3Å; T202-E205 VanDerWaalsContact CG2-OE2 3.31Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.31Å; T202-E205 WeakPolarHBondContact OG1-CB 3.22Å; T202-E205 PolarHBondContact OG1-OE2 3.42Å
203S68.9Low85.9Confident53 Ų5346.8 Ų46.837%0.37125%0.253SS..SBendtrans-73.5-3.7166.858.50000112.1E124 S125 K201E124-S203 CarbonylContact C-O 3.51Å; E124-S203 VanDerWaalsContact CA-O 3.27Å; E124-S203 WeakPolarHBondContact CA-O 3.21Å; E124-S203 WeakPolarHBondContact CB-O 3.48Å; S125-S203 PolarHBondContact N-O 3.09Å; K201-S203 PolarHBondContact O-N 2.98Å
204E76.3Confident86Confident47 Ų4750 Ų5022%0.2227%0.265CS..SBendtrans-102.9-18-172.2-58.3-173.9108.900113.4L107 R123 R137 T202L107-E204 HydrophobicContact CD1-CB 4.29Å; R123-E204 IonicContact NE-OE1 3.8Å; R123-E204 IonicContact NH2-OE1 3.55Å; R123-E204 PolarHBondContact NH2-OE1 2.92Å; R123-E204 VanDerWaalsContact NH2-OE1 3.16Å; R137-E204 IonicContact NH1-OE2 2.95Å; R137-E204 IonicContact NH2-OE2 3.21Å; T202-E204 PolarHBondContact O-N 3.27Å
205E85.1Confident86.1Confident2 Ų251.3 Ų51.31%0.00926%0.264CS..  trans-103.7132.7-178.1-64.1169.1155.400111.5L18 A105 L107 S125 S129 I131 T202L18-E205 HydrophobicContact CD1-CB 4.35Å; L18-E205 HydrophobicContact CD1-CG 4.26Å; L18-E205 HydrophobicContact CD2-CB 4.4Å; A105-E205 WeakPolarHBondContact O-CA 3.33Å; L107-E205 HydrophobicContact CB-CG 4.31Å; S125-E205 PolarHBondContact OG-O 2.87Å; S129-E205 PolarHBondContact N-O 3.13Å; I131-E205 WeakPolarHBondContact CD1-OE2 3.47Å; T202-E205 WeakPolarHBondContact CB-OE2 3.36Å; T202-E205 HydrophobicContact CG2-CG 4.3Å; T202-E205 VanDerWaalsContact CG2-OE2 3.31Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.31Å; T202-E205 WeakPolarHBondContact OG1-CB 3.22Å; T202-E205 PolarHBondContact OG1-OE2 3.42Å
206G89.5Confident86.3Confident0 Ų053.1 Ų53.10%028%0.275CS..SBendtrans134.7174.8-173.900000111.3A105 S127 R209A105-G206 WeakPolarHBondContact CA-O 3.38Å; A105-G206 PolarHBondContact O-N 2.9Å; S127-G206 CarbonylContact O-C 3.51Å; S127-G206 VanDerWaalsContact O-CA 3.27Å; S127-G206 WeakPolarHBondContact O-CA 3.24Å; G206-R209 PolarHBondContact O-NH1 3.21Å
207C91.5Very high86.5Confident13 Ų1351.2 Ų51.29%0.08827%0.267CS..SBendtrans-76.2141.3-165.4-540000111.9E20 L126 S127 L262E20-C207 PolarHBondContact OE1-SG 3.19Å; L126-C207 WeakPolarHBondContact CB-O 3.24Å; L126-C207 PolarHBondContact N-O 3.07Å; S127-C207 PolarHBondContact N-O 3.18Å; S127-C207 VanDerWaalsContact N-O 3.16Å; S127-C207 PolarHBondContact O-N 3.03Å; S127-C207 VanDerWaalsContact OG-CB 3.28Å; S127-C207 WeakPolarHBondContact OG-CB 3.33Å; S127-C207 PolarHBondContact OG-N 3.06Å; C207-L262 HydrophobicContact CB-CD1 3.86Å; C207-L262 HydrophobicContact CB-CD2 4.2Å
208G95.3Very high86.9Confident0 Ų051.6 Ų51.60%027%0.265CS..SBendtrans61.7177.8-176.200000114.1N111 S125 L126 V254N111-G208 PolarHBondContact ND2-N 2.96Å; S125-G208 WeakPolarHBondContact CA-O 3.41Å; L126-G208 PolarHBondContact N-O 3.47Å; G208-V254 CarbonylContact C-O 3.45Å; G208-V254 WeakPolarHBondContact CA-O 3.16Å
209R95.8Very high87.5Confident0 Ų047.3 Ų47.30%024%0.239CC..EExtended strand (participates in β ladder)trans-135.3143.1173.3-60.7-67.6-176.7-92.6-1.6110.9K106 N111 D112 L115 R123 E124 G206 A253 V254K106-R209 PolarHBondContact O-NH2 3.48Å; N111-R209 HydrophobicContact CB-CG 3.91Å; D112-R209 IonicContact OD1-CZ 3.74Å; D112-R209 IonicContact OD1-NE 3.16Å; D112-R209 PolarHBondContact OD1-NE 2.93Å; D112-R209 IonicContact OD1-NH2 3.73Å; D112-R209 IonicContact OD2-CZ 3.52Å; D112-R209 IonicContact OD2-NE 3.41Å; D112-R209 PolarHBondContact OD2-NE 3.17Å; D112-R209 IonicContact OD2-NH2 2.77Å; D112-R209 PolarHBondContact OD2-NH2 2.85Å; L115-R209 HydrophobicContact CD1-CB 3.72Å; L115-R209 HydrophobicContact CD1-CG 3.81Å; L115-R209 HydrophobicContact CG-CB 4.49Å; R123-R209 HydrophobicContact CG-CB 4.45Å; R123-R209 HydrophobicContact CG-CG 4.44Å; E124-R209 CarbonylContact O-C 3.55Å; E124-R209 WeakPolarHBondContact O-CA 3.34Å; G206-R209 PolarHBondContact O-NH1 3.21Å; R209-A253 CarbonylContact O-C 3.59Å; R209-A253 WeakPolarHBondContact O-CA 3.4Å; R209-V254 HydrophobicContact CB-CG2 4Å; R209-V254 HydrophobicContact CG-CG2 4.5Å; R209-V254 PolarHBondContact N-O 2.75Å; R209-V254 PolarHBondContact O-N 2.72Å
210L95.7Very high88.7Confident14 Ų1451.2 Ų51.27%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-111.4126.5163.2-179.965.2000108.4R123 E124 L126 A253 A271 A272R123-L210 WeakPolarHBondContact CA-O 3.47Å; E124-L210 HydrophobicContact CG-CB 4.19Å; E124-L210 PolarHBondContact N-O 2.89Å; E124-L210 PolarHBondContact O-N 3.06Å; L126-L210 HydrophobicContact CD2-CB 3.83Å; L126-L210 HydrophobicContact CG-CB 4.39Å; L210-A253 HydrophobicContact CD1-CB 4.16Å; L210-A271 HydrophobicContact CD2-CB 4.39Å; L210-A272 HydrophobicContact CD1-CB 3.99Å
211V96.5Very high90.4Very high1 Ų146.1 Ų46.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-126150.5-179.8-60.60000112.3L115 V120 R122 R123 L213 T251 V252L115-V211 HydrophobicContact CD1-CG1 3.51Å; L115-V211 HydrophobicContact CD2-CB 4.46Å; L115-V211 HydrophobicContact CD2-CG1 3.79Å; L115-V211 HydrophobicContact CD2-CG2 3.77Å; L115-V211 HydrophobicContact CG-CG1 4.3Å; V120-V211 HydrophobicContact CG1-CB 3.88Å; V120-V211 HydrophobicContact CG1-CG1 3.78Å; V120-V211 HydrophobicContact CG2-CB 4.09Å; V120-V211 HydrophobicContact CG2-CG1 4.04Å; V120-V211 HydrophobicContact CG2-CG2 4.11Å; R122-V211 CarbonylContact O-C 3.52Å; R122-V211 WeakPolarHBondContact O-CA 3.49Å; R122-V211 WeakPolarHBondContact O-CB 3.15Å; R123-V211 HydrophobicContact CB-CG1 3.9Å; R123-V211 HydrophobicContact CG-CG1 3.87Å; V211-L213 HydrophobicContact CG2-CD2 4.41Å; V211-T251 CarbonylContact O-C 3.59Å; V211-T251 VanDerWaalsContact O-CA 3.23Å; V211-T251 WeakPolarHBondContact O-CA 3.44Å; V211-V252 HydrophobicContact CG2-CB 3.79Å; V211-V252 VanDerWaalsContact CG2-O 3.31Å; V211-V252 WeakPolarHBondContact CG2-O 3.3Å; V211-V252 PolarHBondContact N-O 3.27Å; V211-V252 PolarHBondContact O-N 3.07Å
212T97.7Very high92.2Very high55 Ų5538.5 Ų38.534%0.33721%0.207SC..EExtended strand (participates in β ladder)trans-104128.8162.1-55.10000108.4N121 R122N121-T212 WeakPolarHBondContact CB-O 3.14Å; N121-T212 PolarHBondContact N-O 3Å; R122-T212 PolarHBondContact N-O 2.74Å; R122-T212 PolarHBondContact O-N 3.37Å
213L98.3Very high93.9Very high12 Ų1238.9 Ų38.96%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-72.2151.3176.5-56.6-176.3000110.9L118 A119 V211 F215 V217 I249 K250 V252L118-L213 HydrophobicContact CB-CD2 3.87Å; L118-L213 HydrophobicContact CD1-CD2 4.18Å; L118-L213 HydrophobicContact CD2-CD2 4.37Å; L118-L213 HydrophobicContact CG-CD2 4.38Å; A119-L213 CarbonylContact O-C 3.57Å; A119-L213 WeakPolarHBondContact O-CA 3.17Å; V211-L213 HydrophobicContact CG2-CD2 4.41Å; L213-F215 WeakPolarHBondContact CB-O 3.38Å; L213-F215 PolarHBondContact O-N 3.23Å; L213-V217 HydrophobicContact CD1-CB 4.29Å; L213-V217 HydrophobicContact CD1-CG2 4.17Å; L213-I249 HydrophobicContact CD1-CG2 4.33Å; L213-K250 PolarHBondContact N-O 3.31Å; L213-V252 HydrophobicContact CD1-CG2 4.18Å; L213-V252 HydrophobicContact CD2-CG2 4.15Å; L213-V252 HydrophobicContact CG-CG2 4.26Å
214Q97.6Very high95.3Very high120 Ų12039.2 Ų39.256%0.56121%0.214SC*.EExtended strand (participates in β ladder)trans-60.4-35.6175.2-70.9178.82.100112.5A119 V120 N121A119-Q214 HydrophobicContact CB-CB 4.31Å; A119-Q214 HydrophobicContact CB-CG 4.32Å; A119-Q214 WeakPolarHBondContact O-CG 3.3Å; A119-Q214 PolarHBondContact O-N 3.45Å; V120-Q214 PolarHBondContact O-NE2 3.33Å; N121-Q214 HydrophobicContact CB-CB 4.5Å; N121-Q214 HydrophobicContact CB-CG 3.88Å
215F97.4Very high96.3Very high117 Ų11738.6 Ų38.651%0.51322%0.217SC..EExtended strand (participates in β ladder)trans-144.4150.1174.542.3-91.2000109.2A119 L213 V217A119-F215 HydrophobicContact CB-CE1 4.19Å; A119-F215 HydrophobicContact CB-CZ 4.14Å; L213-F215 WeakPolarHBondContact CB-O 3.38Å; L213-F215 PolarHBondContact O-N 3.23Å; F215-V217 HydrophobicContact CD2-CG2 3.86Å; F215-V217 HydrophobicContact CE2-CG2 3.87Å; F215-V217 PolarHBondContact O-N 2.91Å
216P97.9Very high97Very high77 Ų7738.5 Ų38.550%0.522%0.216SC..EExtended strand (participates in β ladder)trans-59.7136.9175.1-19.930.7000111.6P248 I249 K250P216-P248 HydrophobicContact CB-CB 3.98Å; P216-I249 VanDerWaalsContact CA-O 3.32Å; P216-I249 WeakPolarHBondContact CA-O 3.13Å; P216-K250 HydrophobicContact CB-CG 4.01Å; P216-K250 HydrophobicContact CG-CD 4.46Å; P216-K250 HydrophobicContact CG-CG 4.02Å
217V98Very high97.4Very high38 Ų3842 Ų4223%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-125136.3-179.7-178.90000109.7L213 F215 A221 V222 I249L213-V217 HydrophobicContact CD1-CB 4.29Å; L213-V217 HydrophobicContact CD1-CG2 4.17Å; F215-V217 HydrophobicContact CD2-CG2 3.86Å; F215-V217 HydrophobicContact CE2-CG2 3.87Å; F215-V217 PolarHBondContact O-N 2.91Å; V217-A221 HydrophobicContact CG1-CB 3.74Å; V217-V222 HydrophobicContact CB-CG2 4.26Å; V217-V222 HydrophobicContact CG1-CG2 3.92Å; V217-I249 PolarHBondContact N-O 3.26Å; V217-I249 WeakPolarHBondContact O-CB 3.48Å; V217-I249 PolarHBondContact O-N 3.48Å
218H98.4Very high97.7Very high92 Ų9250.1 Ų50.143%0.42627%0.265SS..EExtended strand (participates in β ladder)trans-62.8139.9175.6-62.4143.2000111.5K220 A221 V222 D246 C247H218-K220 HydrophobicContact CB-CG 4Å; H218-K220 PolarHBondContact O-N 3.09Å; H218-K220 VanDerWaalsContact O-N 3.14Å; H218-A221 WeakPolarHBondContact O-CB 3.38Å; H218-A221 PolarHBondContact O-N 3.18Å; H218-V222 PolarHBondContact O-N 2.96Å; H218-D246 PolarHBondContact CD2-O 3.2Å; H218-C247 WeakPolarHBondContact CA-O 3.46Å
219L98.5Very high97.8Very high0 Ų052 Ų520%027%0.273CS..Hα-helixtrans-52.3-39.6179.9177.557.7000112.8A221 V222 I223 V237 L245 C247 I249 L274 I296L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 2.75Å; L219-V222 WeakPolarHBondContact O-CB 3.12Å; L219-V222 PolarHBondContact O-N 3.48Å; L219-V222 VanDerWaalsContact O-N 3.15Å; L219-I223 HydrophobicContact CD1-CD1 4.29Å; L219-I223 HydrophobicContact CD1-CG1 4.32Å; L219-I223 HydrophobicContact CG-CD1 3.96Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 WeakPolarHBondContact O-CG1 3.25Å; L219-I223 PolarHBondContact O-N 3.15Å; L219-V237 HydrophobicContact CD2-CG1 4.36Å; L219-L245 HydrophobicContact CD2-CD2 3.97Å; L219-L245 HydrophobicContact CG-CD2 4.28Å; L219-L245 PolarHBondContact N-O 3.47Å; L219-C247 PolarHBondContact N-O 2.82Å; L219-I249 HydrophobicContact CB-CD1 4.22Å; L219-I249 HydrophobicContact CB-CG1 4Å; L219-I249 HydrophobicContact CD1-CD1 4.43Å; L219-I249 HydrophobicContact CD1-CG1 4.29Å; L219-L274 HydrophobicContact CD1-CD1 3.93Å; L219-L274 HydrophobicContact CD1-CD2 4.01Å; L219-I296 HydrophobicContact CD1-CD1 4.23Å
220K98.2Very high97.9Very high105 Ų10552.8 Ų52.846%0.45728%0.278SS..Hα-helixtrans-57.1-35.5174.867.5-173.8179.8-171.50114.3H218 A224 L245 D246H218-K220 HydrophobicContact CB-CG 4Å; H218-K220 PolarHBondContact O-N 3.09Å; H218-K220 VanDerWaalsContact O-N 3.14Å; K220-A224 PolarHBondContact O-N 3.19Å; K220-A224 VanDerWaalsContact O-N 3.14Å; K220-L245 HydrophobicContact CB-CB 4.27Å; K220-L245 WeakPolarHBondContact CB-O 3.3Å; K220-L245 PolarHBondContact N-O 2.94Å; K220-D246 WeakPolarHBondContact CD-OD1 3.43Å; K220-D246 VanDerWaalsContact CE-OD1 3.28Å; K220-D246 WeakPolarHBondContact CE-OD1 3.37Å; K220-D246 IonicContact NZ-OD1 3.48Å; K220-D246 PolarHBondContact NZ-OD1 3.15Å
221A98.2Very high97.8Very high48 Ų4859.3 Ų59.340%0.39731%0.312SS..Hα-helixtrans-75.7-36.8178.400000111V217 H218 L219 A224 A225V217-A221 HydrophobicContact CG1-CB 3.74Å; H218-A221 WeakPolarHBondContact O-CB 3.38Å; H218-A221 PolarHBondContact O-N 3.18Å; L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 2.75Å; A221-A224 PolarHBondContact O-N 3.34Å; A221-A225 WeakPolarHBondContact O-CB 3.3Å; A221-A225 PolarHBondContact O-N 3.3Å
222V98.4Very high97.7Very high2 Ų260.9 Ų60.91%0.01232%0.32CS..Hα-helixtrans-60.8-46.8172-1770000110.5L118 V217 H218 L219 A224 A225 Y226 L274 I276 I296L118-V222 HydrophobicContact CD2-CG1 4.19Å; V217-V222 HydrophobicContact CB-CG2 4.26Å; V217-V222 HydrophobicContact CG1-CG2 3.92Å; H218-V222 PolarHBondContact O-N 2.96Å; L219-V222 WeakPolarHBondContact O-CB 3.12Å; L219-V222 PolarHBondContact O-N 3.48Å; L219-V222 VanDerWaalsContact O-N 3.15Å; V222-A224 VanDerWaalsContact C-N 3.33Å; V222-A224 PolarHBondContact O-N 2.9Å; V222-A225 WeakPolarHBondContact O-CB 3.36Å; V222-A225 PolarHBondContact O-N 2.95Å; V222-A225 VanDerWaalsContact O-N 3.15Å; V222-Y226 HydrophobicContact CG1-CD2 3.68Å; V222-Y226 HydrophobicContact CG1-CE2 3.77Å; V222-Y226 WeakPolarHBondContact O-CD2 3.5Å; V222-Y226 PolarHBondContact O-N 3.41Å; V222-L274 HydrophobicContact CB-CD2 4.31Å; V222-L274 HydrophobicContact CG1-CD2 3.62Å; V222-I276 HydrophobicContact CG1-CD1 4.37Å; V222-I296 HydrophobicContact CG1-CD1 4.13Å
223I98.5Very high97.4Very high21 Ų2161.4 Ų61.411%0.10834%0.337CS..Hα-helixtrans-56.7-46.1176.3-66.6160.1000111.2L219 A225 Y226 K227 L235 V237 L245 I296L219-I223 HydrophobicContact CD1-CD1 4.29Å; L219-I223 HydrophobicContact CD1-CG1 4.32Å; L219-I223 HydrophobicContact CG-CD1 3.96Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 WeakPolarHBondContact O-CG1 3.25Å; L219-I223 PolarHBondContact O-N 3.15Å; I223-A225 VanDerWaalsContact C-N 3.35Å; I223-A225 PolarHBondContact O-N 2.87Å; I223-Y226 PolarHBondContact O-N 2.96Å; I223-K227 WeakPolarHBondContact O-CG 3.41Å; I223-K227 PolarHBondContact O-N 3.2Å; I223-L235 HydrophobicContact CG2-CD1 4.27Å; I223-V237 HydrophobicContact CD1-CB 4.42Å; I223-V237 HydrophobicContact CD1-CG1 3.98Å; I223-V237 HydrophobicContact CD1-CG2 3.78Å; I223-V237 HydrophobicContact CG1-CG2 3.98Å; I223-L245 HydrophobicContact CD1-CD2 3.79Å; I223-I296 HydrophobicContact CG1-CD1 3.82Å; I223-I296 HydrophobicContact CG1-CG1 4.27Å
224A98.3Very high97.2Very high60 Ų6064.6 Ų64.650%0.49635%0.351SS..Hα-helixtrans-63.2-39.9178.100000112.4K220 A221 V222 K228K220-A224 PolarHBondContact O-N 3.19Å; K220-A224 VanDerWaalsContact O-N 3.14Å; A221-A224 PolarHBondContact O-N 3.34Å; V222-A224 VanDerWaalsContact C-N 3.33Å; V222-A224 PolarHBondContact O-N 2.9Å; A224-K228 PolarHBondContact O-N 3.38Å
225A98.3Very high97.2Very high33 Ų3359.9 Ų59.927%0.27333%0.33SS..Hα-helixtrans-63-46176.600000111.7P117 A221 V222 I223 K228 F229P117-A225 HydrophobicContact CB-CB 4.1Å; A221-A225 WeakPolarHBondContact O-CB 3.3Å; A221-A225 PolarHBondContact O-N 3.3Å; V222-A225 WeakPolarHBondContact O-CB 3.36Å; V222-A225 PolarHBondContact O-N 2.95Å; V222-A225 VanDerWaalsContact O-N 3.15Å; I223-A225 VanDerWaalsContact C-N 3.35Å; I223-A225 PolarHBondContact O-N 2.87Å; A225-K228 PolarHBondContact O-N 3.48Å; A225-F229 WeakPolarHBondContact O-CB 3.42Å; A225-F229 PolarHBondContact O-N 3.33Å
226Y98.4Very high97.2Very high1 Ų158.1 Ų58.10%0.00433%0.329CS..Hα-helixtrans-69.2-37178.4-86.1-84.7000113.5L114 P117 L118 V222 I223 K228 F229 L230 I276L114-Y226 HydrophobicContact CD1-CE1 3.96Å; L114-Y226 HydrophobicContact CG-CE1 4.34Å; L114-Y226 VanDerWaalsContact O-CE1 3.3Å; L114-Y226 WeakPolarHBondContact O-CE1 3.19Å; L114-Y226 PolarHBondContact O-OH 3.13Å; P117-Y226 HydrophobicContact CB-CE2 4.42Å; P117-Y226 HydrophobicContact CG-CD1 4.48Å; P117-Y226 HydrophobicContact CG-CE1 4.25Å; L118-Y226 HydrophobicContact CD1-CE2 4.36Å; L118-Y226 WeakPolarHBondContact CD1-OH 3.43Å; L118-Y226 HydrophobicContact CD2-CE2 4.02Å; L118-Y226 HydrophobicContact CG-CE2 4.2Å; V222-Y226 HydrophobicContact CG1-CD2 3.68Å; V222-Y226 HydrophobicContact CG1-CE2 3.77Å; V222-Y226 WeakPolarHBondContact O-CD2 3.5Å; V222-Y226 PolarHBondContact O-N 3.41Å; I223-Y226 PolarHBondContact O-N 2.96Å; Y226-K228 VanDerWaalsContact C-N 3.27Å; Y226-K228 PolarHBondContact O-N 3.27Å; Y226-F229 HydrophobicContact CD1-CD1 4.4Å; Y226-F229 PolarHBondContact O-N 3.43Å; Y226-L230 HydrophobicContact CD1-CD1 4.05Å; Y226-L230 HydrophobicContact CD1-CG 4.36Å; Y226-L230 WeakPolarHBondContact O-CB 3.5Å; Y226-L230 PolarHBondContact O-N 3.29Å; Y226-I276 HydrophobicContact CD1-CG2 4.45Å; Y226-I276 HydrophobicContact CD2-CD1 3.91Å; Y226-I276 HydrophobicContact CE1-CD1 4.12Å; Y226-I276 HydrophobicContact CE1-CG2 4.17Å; Y226-I276 HydrophobicContact CE2-CD1 3.22Å; Y226-I276 WeakPolarHBondContact OH-CD1 3.45Å
227K98.1Very high97.2Very high74 Ų7456.4 Ų56.432%0.32232%0.317SS..Hα-helixtrans-56.8-43.3171.7-79.3-171179.3-1620111.8I223 N231 M232 G233 L235I223-K227 WeakPolarHBondContact O-CG 3.41Å; I223-K227 PolarHBondContact O-N 3.2Å; K227-N231 CarbonylContact O-C 3.54Å; K227-N231 WeakPolarHBondContact O-CA 3.34Å; K227-N231 PolarHBondContact O-N 2.83Å; K227-N231 VanDerWaalsContact O-N 3.17Å; K227-M232 VanDerWaalsContact CB-O 3.3Å; K227-M232 WeakPolarHBondContact CB-O 3.4Å; K227-M232 WeakPolarHBondContact CG-O 3.48Å; K227-M232 PolarHBondContact O-N 3.46Å; K227-G233 WeakPolarHBondContact CE-O 3.31Å; K227-G233 PolarHBondContact NZ-O 3.2Å; K227-L235 HydrophobicContact CG-CD1 3.76Å; K227-L235 HydrophobicContact CG-CG 3.92Å
228K98Very high97.2Very high182 Ų18255.8 Ų55.879%0.79132%0.316SS*.Hα-helixtrans-68.6-47.7177.2-178.1180176.2-176.10111.8A224 A225 Y226 N231A224-K228 PolarHBondContact O-N 3.38Å; A225-K228 PolarHBondContact O-N 3.48Å; Y226-K228 VanDerWaalsContact C-N 3.27Å; Y226-K228 PolarHBondContact O-N 3.27Å; K228-N231 PolarHBondContact O-N 3.24Å
229F98Very high97.2Very high39 Ų3953.8 Ų53.817%0.17131%0.311CS..Hα-helixtrans-63-48.3-176.9176.3-114.4000112.6W113 L114 E116 P117 A225 Y226 N231W113-F229 AromaticContact CD1-CZ 3.93Å; W113-F229 HydrophobicContact CD2-CE1 4.37Å; W113-F229 AromaticContact CD2-CZ 3.93Å; W113-F229 HydrophobicContact CD2-CZ 3.93Å; W113-F229 AromaticContact CE2-CE1 3.98Å; W113-F229 AromaticContact CE2-CZ 3.4Å; W113-F229 VanDerWaalsContact CE2-CZ 3.4Å; W113-F229 HydrophobicContact CG-CZ 4.24Å; W113-F229 HydrophobicContact CH2-CE1 4.14Å; W113-F229 HydrophobicContact CH2-CZ 4.37Å; W113-F229 AromaticContact CZ2-CE1 3.85Å; W113-F229 HydrophobicContact CZ2-CE1 3.85Å; W113-F229 HydrophobicContact CZ2-CE2 4.46Å; W113-F229 AromaticContact CZ2-CZ 3.66Å; W113-F229 HydrophobicContact CZ2-CZ 3.66Å; W113-F229 AromaticContact NE1-CE2 3.92Å; W113-F229 AromaticContact NE1-CZ 3.44Å; W113-F229 VanDerWaalsContact O-CZ 3.22Å; W113-F229 WeakPolarHBondContact O-CZ 3.49Å; L114-F229 HydrophobicContact CD1-CE1 4.41Å; E116-F229 HydrophobicContact CB-CE2 3.94Å; E116-F229 HydrophobicContact CB-CZ 4.12Å; P117-F229 HydrophobicContact CB-CB 4.33Å; P117-F229 HydrophobicContact CB-CG 4.49Å; P117-F229 HydrophobicContact CG-CB 3.41Å; P117-F229 VanDerWaalsContact CG-CB 3.41Å; P117-F229 HydrophobicContact CG-CD1 3.36Å; P117-F229 HydrophobicContact CG-CD2 3.68Å; P117-F229 HydrophobicContact CG-CE1 3.98Å; P117-F229 HydrophobicContact CG-CE2 4.24Å; P117-F229 HydrophobicContact CG-CG 3.19Å; P117-F229 HydrophobicContact CG-CZ 4.37Å; A225-F229 WeakPolarHBondContact O-CB 3.42Å; A225-F229 PolarHBondContact O-N 3.33Å; Y226-F229 HydrophobicContact CD1-CD1 4.4Å; Y226-F229 PolarHBondContact O-N 3.43Å; F229-N231 PolarHBondContact O-N 2.81Å
230L96.7Very high97.2Very high18 Ų1853.9 Ų53.99%0.09431%0.312CS..THydrogen-bonded Turntrans-84.63.3179.5-58.8177.4000113W113 L114 Y226 M232 A298 V302W113-L230 HydrophobicContact CH2-CD2 3.8Å; W113-L230 HydrophobicContact CZ2-CD2 4.47Å; W113-L230 HydrophobicContact CZ3-CD2 4.44Å; L114-L230 HydrophobicContact CD1-CD2 4.24Å; Y226-L230 HydrophobicContact CD1-CD1 4.05Å; Y226-L230 HydrophobicContact CD1-CG 4.36Å; Y226-L230 WeakPolarHBondContact O-CB 3.5Å; Y226-L230 PolarHBondContact O-N 3.29Å; L230-M232 VanDerWaalsContact C-N 3.32Å; L230-M232 HydrophobicContact CB-CG 3.93Å; L230-M232 HydrophobicContact CB-SD 4.16Å; L230-M232 HydrophobicContact CD1-SD 4.37Å; L230-M232 WeakPolarHBondContact O-CG 3.4Å; L230-M232 PolarHBondContact O-N 3.24Å; L230-A298 HydrophobicContact CD1-CB 3.53Å; L230-V302 HydrophobicContact CB-CG1 4.11Å; L230-V302 HydrophobicContact CD1-CG1 4.46Å
231N94.9Very high97.1Very high150 Ų15054.7 Ų54.780%0.80232%0.32SS*.THydrogen-bonded Turntrans5147-176.2-169.239.3000113.4K227 K228 F229K227-N231 CarbonylContact O-C 3.54Å; K227-N231 WeakPolarHBondContact O-CA 3.34Å; K227-N231 PolarHBondContact O-N 2.83Å; K227-N231 VanDerWaalsContact O-N 3.17Å; K228-N231 PolarHBondContact O-N 3.24Å; F229-N231 PolarHBondContact O-N 2.81Å
232M92.9Very high97.1Very high34 Ų3456.1 Ų56.117%0.16734%0.34CS..  trans-113.7135.3-177.7-63.8-175.181.400112.7K227 L230 H234 L235 A298 V302K227-M232 VanDerWaalsContact CB-O 3.3Å; K227-M232 WeakPolarHBondContact CB-O 3.4Å; K227-M232 WeakPolarHBondContact CG-O 3.48Å; K227-M232 PolarHBondContact O-N 3.46Å; L230-M232 VanDerWaalsContact C-N 3.32Å; L230-M232 HydrophobicContact CB-CG 3.93Å; L230-M232 HydrophobicContact CB-SD 4.16Å; L230-M232 HydrophobicContact CD1-SD 4.37Å; L230-M232 WeakPolarHBondContact O-CG 3.4Å; L230-M232 PolarHBondContact O-N 3.24Å; M232-H234 WeakPolarHBondContact CE-O 3.16Å; M232-L235 HydrophobicContact CE-CD2 4.18Å; M232-L235 HydrophobicContact SD-CD2 3.48Å; M232-L235 WeakPolarHBondContact SD-CD2 3.4Å; M232-A298 WeakPolarHBondContact CE-O 3.33Å; M232-A298 HydrophobicContact SD-CB 4.09Å; M232-V302 HydrophobicContact CE-CG1 4.4Å; M232-V302 HydrophobicContact CG-CG1 3.99Å; M232-V302 HydrophobicContact SD-CG1 3.57Å; M232-V302 VanDerWaalsContact SD-CG1 3.57Å
233G93.1Very high97Very high67 Ų6759.9 Ų59.969%0.69136%0.356SS*.SBendtrans-72.9-27.9172.100000113.9K227K227-G233 WeakPolarHBondContact CE-O 3.31Å; K227-G233 PolarHBondContact NZ-O 3.2Å
234H94.5Very high97Very high79 Ų7962.4 Ų62.437%0.36637%0.373SS..  trans-135.6153.8-175.761.5-84.7000110.9M232 V346M232-H234 WeakPolarHBondContact CE-O 3.16Å; H234-V346 WeakPolarHBondContact CE1-CB 3.31Å; H234-V346 VanDerWaalsContact NE2-CB 3.3Å; H234-V346 WeakPolarHBondContact NE2-CB 3.39Å; H234-V346 WeakPolarHBondContact NE2-CG2 3.4Å
235L96.8Very high96.9Very high21 Ų2163.3 Ų63.311%0.1137%0.369CS..  trans-140.2144.1170.3-70.8174.6000106.4I223 K227 M232 V237 I296 A298I223-L235 HydrophobicContact CG2-CD1 4.27Å; K227-L235 HydrophobicContact CG-CD1 3.76Å; K227-L235 HydrophobicContact CG-CG 3.92Å; M232-L235 HydrophobicContact CE-CD2 4.18Å; M232-L235 HydrophobicContact SD-CD2 3.48Å; M232-L235 WeakPolarHBondContact SD-CD2 3.4Å; L235-V237 HydrophobicContact CB-CG2 4.42Å; L235-I296 HydrophobicContact CB-CG2 4.37Å; L235-I296 HydrophobicContact CD1-CG2 3.94Å; L235-I296 HydrophobicContact CD2-CG2 4.35Å; L235-I296 HydrophobicContact CG-CG2 4.46Å; L235-A298 HydrophobicContact CD2-CB 3.63Å
236T97.3Very high96.9Very high79 Ų7966 Ų6649%0.48538%0.378SS..EExtended strand (participates in β ladder)trans-87.2126.4171.4-66.30000108.4L297T236-L297 HydrophobicContact CG2-CD1 4.36Å; T236-L297 PolarHBondContact N-O 2.85Å; T236-L297 VanDerWaalsContact N-O 3.11Å; T236-L297 PolarHBondContact O-N 2.95Å
237V98.2Very high96.9Very high42 Ų4267.3 Ų67.326%0.25539%0.388SS..EExtended strand (participates in β ladder)trans-125131.8-176.1-174.90000109.4L219 I223 L235 L245 I295 I296L219-V237 HydrophobicContact CD2-CG1 4.36Å; I223-V237 HydrophobicContact CD1-CB 4.42Å; I223-V237 HydrophobicContact CD1-CG1 3.98Å; I223-V237 HydrophobicContact CD1-CG2 3.78Å; I223-V237 HydrophobicContact CG1-CG2 3.98Å; L235-V237 HydrophobicContact CB-CG2 4.42Å; V237-L245 HydrophobicContact CG1-CD2 4.16Å; V237-I295 VanDerWaalsContact CA-O 3.3Å; V237-I295 WeakPolarHBondContact CA-O 3.42Å; V237-I295 WeakPolarHBondContact CG1-O 3.47Å; V237-I296 HydrophobicContact CG2-CG1 4.24Å
238A97.9Very high96.9Very high25 Ų2566.9 Ų66.921%0.20739%0.392CS..EExtended strand (participates in β ladder)trans-119.9101.2170.800000108.7V289 S294 I295A238-V289 HydrophobicContact CB-CG2 3.82Å; A238-S294 CarbonylContact O-C 3.41Å; A238-S294 WeakPolarHBondContact O-CA 3.28Å; A238-I295 HydrophobicContact CB-CB 4.24Å; A238-I295 HydrophobicContact CB-CD1 4.49Å; A238-I295 PolarHBondContact N-O 2.97Å; A238-I295 PolarHBondContact O-N 2.79Å
239P98.1Very high96.9Very high49 Ų4958.4 Ų58.432%0.31836%0.355SS..PPolyproline II helixtrans-59.2139.2173.5-22.433.8000110.6K243 L245P239-K243 HydrophobicContact CB-CB 4.37Å; P239-K243 WeakPolarHBondContact CB-O 3.49Å; P239-L245 HydrophobicContact CG-CD2 4.31Å
240G97.6Very high96.9Very high2 Ų262.1 Ų62.12%0.02137%0.372CS..PPolyproline II helixtrans-59.2161.7172.900000112.2G242 K243 I293 S294G240-G242 PolarHBondContact O-N 3.49Å; G240-K243 WeakPolarHBondContact O-CA 3.48Å; G240-K243 VanDerWaalsContact O-CB 3.22Å; G240-K243 WeakPolarHBondContact O-CB 3.27Å; G240-K243 WeakPolarHBondContact O-CG 3.31Å; G240-K243 PolarHBondContact O-N 2.77Å; G240-I293 WeakPolarHBondContact CA-O 3.48Å; G240-S294 PolarHBondContact N-OG 2.8Å; G240-S294 VanDerWaalsContact N-OG 3.1Å
241L97.4Very high97Very high122 Ų12262.5 Ų62.564%0.63938%0.375SS*.THydrogen-bonded Turntrans-54.7123.3178.3-177.464.9000110.6K243 V289L241-K243 PolarHBondContact O-N 3.43Å; L241-V289 WeakPolarHBondContact CB-O 3.42Å; L241-V289 PolarHBondContact N-O 3.43Å
242G97Very high97.1Very high78 Ų7855.4 Ų55.480%0.80434%0.337SS*.THydrogen-bonded Turntrans73.75.5-176.200000115.1G240G240-G242 PolarHBondContact O-N 3.49Å
243K97.6Very high97.4Very high82 Ų8253.8 Ų53.836%0.35733%0.329SS..  trans-97.2155.1176.2-50.5-64.1-177.9166.40111P239 G240 L241 C247 G292P239-K243 HydrophobicContact CB-CB 4.37Å; P239-K243 WeakPolarHBondContact CB-O 3.49Å; G240-K243 WeakPolarHBondContact O-CA 3.48Å; G240-K243 VanDerWaalsContact O-CB 3.22Å; G240-K243 WeakPolarHBondContact O-CB 3.27Å; G240-K243 WeakPolarHBondContact O-CG 3.31Å; G240-K243 PolarHBondContact O-N 2.77Å; L241-K243 PolarHBondContact O-N 3.43Å; K243-C247 HydrophobicContact CD-CB 4.45Å; K243-G292 WeakPolarHBondContact CE-O 3.37Å
244T97.7Very high97.6Very high74 Ų7450.6 Ų50.645%0.45430%0.296SS..  trans-132.3174.6174.569.10000109.4D246 C247T244-D246 PolarHBondContact O-N 3.45Å; T244-D246 PolarHBondContact OG1-N 3.35Å; T244-C247 PolarHBondContact N-SG 2.57Å; T244-C247 WeakPolarHBondContact O-CB 3.38Å; T244-C247 PolarHBondContact O-N 2.85Å; T244-C247 VanDerWaalsContact O-N 3.12Å
245L97.6Very high97.8Very high79 Ų7947.3 Ų47.341%0.41428%0.282SS..THydrogen-bonded Turntrans-66.2-15.8176.7-57.8-176.3000113.5L219 K220 I223 V237 P239L219-L245 HydrophobicContact CD2-CD2 3.97Å; L219-L245 HydrophobicContact CG-CD2 4.28Å; L219-L245 PolarHBondContact N-O 3.47Å; K220-L245 HydrophobicContact CB-CB 4.27Å; K220-L245 WeakPolarHBondContact CB-O 3.3Å; K220-L245 PolarHBondContact N-O 2.94Å; I223-L245 HydrophobicContact CD1-CD2 3.79Å; V237-L245 HydrophobicContact CG1-CD2 4.16Å; P239-L245 HydrophobicContact CG-CD2 4.31Å
246D98Very high97.8Very high89 Ų8946.5 Ų46.548%0.47628%0.278SS..THydrogen-bonded Turntrans-92.5-5.1176.4-65.4-64.7000113H218 K220 T244H218-D246 PolarHBondContact CD2-O 3.2Å; K220-D246 WeakPolarHBondContact CD-OD1 3.43Å; K220-D246 VanDerWaalsContact CE-OD1 3.28Å; K220-D246 WeakPolarHBondContact CE-OD1 3.37Å; K220-D246 IonicContact NZ-OD1 3.48Å; K220-D246 PolarHBondContact NZ-OD1 3.15Å; T244-D246 PolarHBondContact O-N 3.45Å; T244-D246 PolarHBondContact OG1-N 3.35Å
247C97.5Very high97.8Very high29 Ų2942.8 Ų42.820%0.19626%0.256CS..SBendtrans-66.8140.6176.8-73.10000111.4H218 L219 K243 T244H218-C247 WeakPolarHBondContact CA-O 3.46Å; L219-C247 PolarHBondContact N-O 2.82Å; K243-C247 HydrophobicContact CD-CB 4.45Å; T244-C247 PolarHBondContact N-SG 2.57Å; T244-C247 WeakPolarHBondContact O-CB 3.38Å; T244-C247 PolarHBondContact O-N 2.85Å; T244-C247 VanDerWaalsContact O-N 3.12Å
248P97.8Very high97.7Very high65 Ų6544 Ų4442%0.42227%0.266SS..EExtended strand (participates in β ladder)trans-73.2134.4174.730-33.8000110.9P216P216-P248 HydrophobicContact CB-CB 3.98Å
249I98.3Very high97.7Very high3 Ų342.8 Ų42.82%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-100.9127.7171.2-56.5-53.9000107.6L213 P216 V217 L219 V252 D273 L274L213-I249 HydrophobicContact CD1-CG2 4.33Å; P216-I249 VanDerWaalsContact CA-O 3.32Å; P216-I249 WeakPolarHBondContact CA-O 3.13Å; V217-I249 PolarHBondContact N-O 3.26Å; V217-I249 WeakPolarHBondContact O-CB 3.48Å; V217-I249 PolarHBondContact O-N 3.48Å; L219-I249 HydrophobicContact CB-CD1 4.22Å; L219-I249 HydrophobicContact CB-CG1 4Å; L219-I249 HydrophobicContact CD1-CD1 4.43Å; L219-I249 HydrophobicContact CD1-CG1 4.29Å; I249-V252 HydrophobicContact CG2-CG2 3.55Å; I249-D273 HydrophobicContact CD1-CB 3.91Å; I249-D273 HydrophobicContact CG2-CB 4.12Å; I249-L274 HydrophobicContact CD1-CB 4.09Å; I249-L274 HydrophobicContact CG1-CB 4.37Å; I249-L274 HydrophobicContact CG1-CD2 4.49Å; I249-L274 HydrophobicContact CG2-CB 3.74Å; I249-L274 HydrophobicContact CG2-CD2 4.21Å
250K98.2Very high97.5Very high118 Ų11840.7 Ų40.751%0.51324%0.243SC..EExtended strand (participates in β ladder)trans-114-36.9176.9-56.2-178.2-177174.10111.4L213 P216 D273L213-K250 PolarHBondContact N-O 3.31Å; P216-K250 HydrophobicContact CB-CG 4.01Å; P216-K250 HydrophobicContact CG-CD 4.46Å; P216-K250 HydrophobicContact CG-CG 4.02Å; K250-D273 WeakPolarHBondContact CA-OD2 3.27Å; K250-D273 WeakPolarHBondContact CB-OD2 3.42Å; K250-D273 PolarHBondContact N-OD2 3.41Å
251T98.2Very high97.2Very high26 Ų2644.3 Ų44.316%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-118.2134.7178.950.90000110.6V211 A271 A272 D273 L274V211-T251 CarbonylContact O-C 3.59Å; V211-T251 VanDerWaalsContact O-CA 3.23Å; V211-T251 WeakPolarHBondContact O-CA 3.44Å; T251-A271 PolarHBondContact OG1-O 3.22Å; T251-A272 WeakPolarHBondContact OG1-CA 3.39Å; T251-D273 PolarHBondContact N-OD2 3.32Å; T251-D273 VanDerWaalsContact N-OD2 3.14Å; T251-D273 PolarHBondContact O-N 3.38Å; T251-D273 PolarHBondContact OG1-N 2.77Å; T251-D273 PolarHBondContact OG1-OD2 3.14Å; T251-L274 PolarHBondContact O-N 3.31Å
252V98.3Very high97Very high0 Ų039.6 Ų39.60%024%0.244CC..EExtended strand (participates in β ladder)trans-126.3131.5179-175.30000108.6L118 V211 L213 I249 V254 L274 I276L118-V252 HydrophobicContact CD1-CB 4.08Å; L118-V252 HydrophobicContact CD1-CG1 3.95Å; L118-V252 HydrophobicContact CD1-CG2 4.09Å; V211-V252 HydrophobicContact CG2-CB 3.79Å; V211-V252 VanDerWaalsContact CG2-O 3.31Å; V211-V252 WeakPolarHBondContact CG2-O 3.3Å; V211-V252 PolarHBondContact N-O 3.27Å; V211-V252 PolarHBondContact O-N 3.07Å; L213-V252 HydrophobicContact CD1-CG2 4.18Å; L213-V252 HydrophobicContact CD2-CG2 4.15Å; L213-V252 HydrophobicContact CG-CG2 4.26Å; I249-V252 HydrophobicContact CG2-CG2 3.55Å; V252-V254 HydrophobicContact CG1-CG1 3.89Å; V252-L274 CarbonylContact C-O 3.49Å; V252-L274 WeakPolarHBondContact CA-O 3.48Å; V252-L274 HydrophobicContact CG1-CD2 4.31Å; V252-L274 HydrophobicContact CG1-CG 4.3Å; V252-L274 HydrophobicContact CG2-CB 4.38Å; V252-L274 HydrophobicContact CG2-CD2 4.3Å; V252-I276 HydrophobicContact CG1-CD1 3.73Å; V252-I276 HydrophobicContact CG1-CG1 3.99Å
253A97.9Very high96.8Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-106138.1167.100000109.2L126 R209 L210 A272 L274 F275 I276L126-A253 HydrophobicContact CD1-CB 4.12Å; L126-A253 HydrophobicContact CD2-CB 4.23Å; R209-A253 CarbonylContact O-C 3.59Å; R209-A253 WeakPolarHBondContact O-CA 3.4Å; L210-A253 HydrophobicContact CD1-CB 4.16Å; A253-A272 HydrophobicContact CB-CB 3.61Å; A253-L274 PolarHBondContact N-O 3Å; A253-F275 HydrophobicContact CB-CD2 3.47Å; A253-F275 VanDerWaalsContact CB-CD2 3.47Å; A253-F275 HydrophobicContact CB-CE2 3.94Å; A253-F275 HydrophobicContact CB-CG 4.43Å; A253-F275 CarbonylContact O-C 3.51Å; A253-F275 VanDerWaalsContact O-CA 3.29Å; A253-F275 WeakPolarHBondContact O-CA 3.48Å; A253-I276 PolarHBondContact O-N 2.94Å
254V97.9Very high96.4Very high0 Ų034 Ų340%020%0.202CC..EExtended strand (participates in β ladder)trans-130145.8176.6-49.30000111.6N111 L114 L115 G208 R209 V252 I276N111-V254 HydrophobicContact CB-CG2 4.48Å; N111-V254 WeakPolarHBondContact O-CG2 3.16Å; L114-V254 HydrophobicContact CD2-CB 4.08Å; L114-V254 HydrophobicContact CD2-CG2 4.48Å; L114-V254 HydrophobicContact CG-CB 4.43Å; L115-V254 HydrophobicContact CD2-CB 4.39Å; L115-V254 HydrophobicContact CD2-CG1 3.63Å; L115-V254 HydrophobicContact CD2-CG2 3.75Å; L115-V254 HydrophobicContact CG-CG2 3.87Å; G208-V254 CarbonylContact C-O 3.45Å; G208-V254 WeakPolarHBondContact CA-O 3.16Å; R209-V254 HydrophobicContact CB-CG2 4Å; R209-V254 HydrophobicContact CG-CG2 4.5Å; R209-V254 PolarHBondContact N-O 2.75Å; R209-V254 PolarHBondContact O-N 2.72Å; V252-V254 HydrophobicContact CG1-CG1 3.89Å; V254-I276 VanDerWaalsContact CA-O 3.3Å; V254-I276 WeakPolarHBondContact CA-O 3.17Å; V254-I276 HydrophobicContact CG1-CB 4.01Å; V254-I276 HydrophobicContact CG1-CD1 4.32Å; V254-I276 HydrophobicContact CG1-CG1 4.36Å
255C97.8Very high95.8Very high11 Ų1137.6 Ų37.67%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-148.1114.5169.2-178.50000108.6N111 L262 F275 I276 T277N111-C255 VanDerWaalsContact OD1-CA 3.27Å; N111-C255 WeakPolarHBondContact OD1-CA 3.43Å; C255-L262 HydrophobicContact CB-CD1 4.07Å; C255-F275 HydrophobicContact CB-CE1 4.45Å; C255-F275 HydrophobicContact CB-CZ 3.99Å; C255-I276 PolarHBondContact N-O 3.28Å; C255-T277 WeakPolarHBondContact O-CA 3.05Å; C255-T277 WeakPolarHBondContact O-CB 3.41Å; C255-T277 PolarHBondContact O-OG1 3.28Å
256A97.9Very high95.4Very high4 Ų434.8 Ų34.83%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-60.6155.9169.700000111.7I110 N111 L114 S258 T303 E304I110-A256 HydrophobicContact CG2-CB 3.31Å; N111-A256 PolarHBondContact OD1-N 3.29Å; L114-A256 HydrophobicContact CD2-CB 4.35Å; A256-S258 PolarHBondContact O-N 3.16Å; A256-T303 VanDerWaalsContact CB-O 3.31Å; A256-T303 WeakPolarHBondContact CB-O 3.44Å; A256-E304 HydrophobicContact CB-CG 3.99Å
257G97.4Very high94.9Very high1 Ų135.2 Ų35.21%0.0121%0.207CC..EExtended strand (participates in β ladder)trans66.9-122.7-177.500000112.6T277 G278 E279 T303 E304G257-T277 PolarHBondContact O-OG1 2.77Å; G257-T277 VanDerWaalsContact O-OG1 3.07Å; G257-G278 WeakPolarHBondContact O-CA 3.13Å; G257-G278 PolarHBondContact O-N 2.9Å; G257-E279 PolarHBondContact O-N 3.48Å; G257-E279 VanDerWaalsContact O-N 3.16Å; G257-T303 PolarHBondContact N-OG1 2.67Å; G257-E304 WeakPolarHBondContact CA-OE1 3.34Å; G257-E304 PolarHBondContact N-OE1 2.95Å
258S96.4Very high94.3Very high67 Ų6735.8 Ų35.847%0.46921%0.214SC..EExtended strand (participates in β ladder)trans-105.495.4-175.2-159.40000112.6A256 G260 E279A256-S258 PolarHBondContact O-N 3.16Å; S258-G260 PolarHBondContact O-N 2.66Å; S258-E279 PolarHBondContact OG-OE1 3.23Å
259G96.4Very high93.8Very high0 Ų032.7 Ų32.70%019%0.193CC..  trans-855.2-173.900000116.5S261 L262 L263 T277G259-S261 PolarHBondContact O-N 2.84Å; G259-L262 PolarHBondContact O-N 2.81Å; G259-L263 WeakPolarHBondContact O-CB 3.17Å; G259-L263 PolarHBondContact O-N 2.92Å; G259-T277 WeakPolarHBondContact CA-OG1 3.47Å; G259-T277 PolarHBondContact N-OG1 2.89Å
260G95Very high93.4Very high5 Ų536 Ų365%0.05221%0.208CC..Hα-helixtrans-59.6-44.5-170.700000114.1S258 L262 L263 C264S258-G260 PolarHBondContact O-N 2.66Å; G260-L262 PolarHBondContact O-N 2.79Å; G260-L263 PolarHBondContact O-N 2.93Å; G260-C264 WeakPolarHBondContact O-CB 3.41Å; G260-C264 PolarHBondContact O-N 2.83Å
261S92Very high93Very high78 Ų7833.4 Ų33.455%0.54521%0.208SC..Hα-helixtrans-62.8-43.5177.3-59.80000112G259 Q265G259-S261 PolarHBondContact O-N 2.84Å; S261-Q265 WeakPolarHBondContact O-CA 3.46Å; S261-Q265 WeakPolarHBondContact O-CB 3.49Å; S261-Q265 WeakPolarHBondContact O-CG 3.3Å; S261-Q265 PolarHBondContact O-N 3.05Å
262L92.7Very high92.9Very high23 Ų2332.4 Ų32.412%0.1220%0.203CC..Hα-helixtrans-64.9-44.6176.6-78.2175.7000111.6L126 C207 C255 G259 G260 C264 T266L126-L262 HydrophobicContact CB-CD2 4.41Å; C207-L262 HydrophobicContact CB-CD1 3.86Å; C207-L262 HydrophobicContact CB-CD2 4.2Å; C255-L262 HydrophobicContact CB-CD1 4.07Å; G259-L262 PolarHBondContact O-N 2.81Å; G260-L262 PolarHBondContact O-N 2.79Å; L262-C264 PolarHBondContact O-N 2.95Å; L262-T266 WeakPolarHBondContact O-CB 3.45Å; L262-T266 PolarHBondContact O-N 2.97Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 2.87Å
263L93.3Very high92.9Very high3 Ų334.4 Ų34.42%0.01621%0.214CC..Hα-helixtrans-58.1-48.5178.617957.4000111.7G259 G260 S269 F270 F275 L280 A288 I293G259-L263 WeakPolarHBondContact O-CB 3.17Å; G259-L263 PolarHBondContact O-N 2.92Å; G260-L263 PolarHBondContact O-N 2.93Å; L263-S269 PolarHBondContact O-OG 2.96Å; L263-F270 VanDerWaalsContact O-CE1 3.23Å; L263-F270 WeakPolarHBondContact O-CE1 3.46Å; L263-F275 HydrophobicContact CB-CD1 4.44Å; L263-F275 HydrophobicContact CB-CD2 4.4Å; L263-F275 HydrophobicContact CB-CE1 4.04Å; L263-F275 HydrophobicContact CB-CE2 4.03Å; L263-F275 HydrophobicContact CB-CZ 3.83Å; L263-F275 HydrophobicContact CD1-CB 4.11Å; L263-F275 HydrophobicContact CD1-CD1 4.26Å; L263-F275 HydrophobicContact CD1-CD2 3.67Å; L263-F275 HydrophobicContact CD1-CE2 4.12Å; L263-F275 HydrophobicContact CD1-CG 3.76Å; L263-F275 HydrophobicContact CD2-CD1 4.12Å; L263-F275 HydrophobicContact CD2-CE1 4.36Å; L263-F275 HydrophobicContact CD2-CG 4.41Å; L263-F275 HydrophobicContact CG-CG 4.49Å; L263-L280 HydrophobicContact CD2-CD1 3.48Å; L263-L280 VanDerWaalsContact CD2-CD1 3.48Å; L263-L280 HydrophobicContact CD2-CD2 3.89Å; L263-L280 HydrophobicContact CD2-CG 4.38Å; L263-A288 HydrophobicContact CD1-CB 4.03Å; L263-A288 HydrophobicContact CD2-CB 3.73Å; L263-A288 HydrophobicContact CG-CB 4.15Å; L263-I293 HydrophobicContact CD1-CD1 4.4Å
264C87.4Confident93Very high39 Ų3934.4 Ų34.426%0.26421%0.214SC..Hα-helixtrans-89-27.2-171.4-65.40000114.1G260 L262 D284G260-C264 WeakPolarHBondContact O-CB 3.41Å; G260-C264 PolarHBondContact O-N 2.83Å; L262-C264 PolarHBondContact O-N 2.95Å; C264-D284 PolarHBondContact SG-OD1 3.45Å
265Q86.2Confident93Very high149 Ų14934.4 Ų34.470%0.69621%0.214SC*.Hα-helixtrans-107.4-8.6-171.8-52.7176.68.500113.8S261 P267S261-Q265 WeakPolarHBondContact O-CA 3.46Å; S261-Q265 WeakPolarHBondContact O-CB 3.49Å; S261-Q265 WeakPolarHBondContact O-CG 3.3Å; S261-Q265 PolarHBondContact O-N 3.05Å; Q265-P267 WeakPolarHBondContact O-CD 3.19Å
266T89.2Confident93Very high21 Ų2133.9 Ų33.913%0.12921%0.21CC..  trans-109.3104.6-177.8-520000110.6L126 L262 A268 S269L126-T266 HydrophobicContact CB-CG2 4.25Å; L126-T266 WeakPolarHBondContact O-CG2 3.27Å; L262-T266 WeakPolarHBondContact O-CB 3.45Å; L262-T266 PolarHBondContact O-N 2.97Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 2.87Å; T266-A268 HydrophobicContact CG2-CB 4.2Å; T266-A268 PolarHBondContact O-N 2.61Å; T266-S269 WeakPolarHBondContact O-CB 3.33Å; T266-S269 PolarHBondContact O-N 3.1Å; T266-S269 PolarHBondContact O-OG 3.25Å
267P87.1Confident93Very high98 Ų9833.7 Ų33.764%0.63621%0.209SC*.G310 helixtrans-55.3-26.3-175.8-28.835.7000115.4Q265 S269 F270Q265-P267 WeakPolarHBondContact O-CD 3.19Å; P267-S269 VanDerWaalsContact C-N 3.26Å; P267-S269 PolarHBondContact O-N 2.92Å; P267-F270 HydrophobicContact CB-CD2 4.3Å; P267-F270 HydrophobicContact CB-CE2 4.33Å; P267-F270 WeakPolarHBondContact O-CB 3.23Å; P267-F270 WeakPolarHBondContact O-CD2 3.47Å; P267-F270 PolarHBondContact O-N 3.18Å
268A85.3Confident93.1Very high40 Ų4033.8 Ų33.833%0.33121%0.21SC..G310 helixtrans-62.5-30.5175.500000113L126 T266 F270 A271L126-A268 HydrophobicContact CD2-CB 4.35Å; T266-A268 HydrophobicContact CG2-CB 4.2Å; T266-A268 PolarHBondContact O-N 2.61Å; A268-F270 PolarHBondContact O-N 2.94Å; A268-A271 PolarHBondContact O-N 2.8Å
269S86.1Confident93.1Very high0 Ų034.7 Ų34.70%021%0.206CC..G310 helixtrans-61.8-28176.773.70000111.9L263 T266 P267 A271 A272L263-S269 PolarHBondContact O-OG 2.96Å; T266-S269 WeakPolarHBondContact O-CB 3.33Å; T266-S269 PolarHBondContact O-N 3.1Å; T266-S269 PolarHBondContact O-OG 3.25Å; P267-S269 VanDerWaalsContact C-N 3.26Å; P267-S269 PolarHBondContact O-N 2.92Å; S269-A271 PolarHBondContact O-N 3.15Å; S269-A271 VanDerWaalsContact O-N 3.17Å; S269-A272 VanDerWaalsContact O-CB 3.3Å; S269-A272 WeakPolarHBondContact O-CB 3.27Å; S269-A272 PolarHBondContact O-N 2.66Å
270F89.8Confident93.1Very high73 Ų7335.5 Ų35.532%0.3221%0.211SC..G310 helixtrans-70-11.6-177.8-53-28.3000113.5L263 P267 A268 A272 I293L263-F270 VanDerWaalsContact O-CE1 3.23Å; L263-F270 WeakPolarHBondContact O-CE1 3.46Å; P267-F270 HydrophobicContact CB-CD2 4.3Å; P267-F270 HydrophobicContact CB-CE2 4.33Å; P267-F270 WeakPolarHBondContact O-CB 3.23Å; P267-F270 WeakPolarHBondContact O-CD2 3.47Å; P267-F270 PolarHBondContact O-N 3.18Å; A268-F270 PolarHBondContact O-N 2.94Å; F270-A272 VanDerWaalsContact C-N 3.31Å; F270-I293 HydrophobicContact CD1-CD1 4.37Å
271A90.8Very high93.3Very high63 Ų6337.9 Ų37.952%0.52123%0.226SC..G310 helixtrans-83-6.5173.200000113.3L210 T251 A268 S269L210-A271 HydrophobicContact CD2-CB 4.39Å; T251-A271 PolarHBondContact OG1-O 3.22Å; A268-A271 PolarHBondContact O-N 2.8Å; S269-A271 PolarHBondContact O-N 3.15Å; S269-A271 VanDerWaalsContact O-N 3.17Å
272A96.8Very high93.5Very high5 Ų539.2 Ų39.24%0.04122%0.224CC..  trans-82.3136.2-178.400000112.3L210 T251 A253 S269 F270 L274L210-A272 HydrophobicContact CD1-CB 3.99Å; T251-A272 WeakPolarHBondContact OG1-CA 3.39Å; A253-A272 HydrophobicContact CB-CB 3.61Å; S269-A272 VanDerWaalsContact O-CB 3.3Å; S269-A272 WeakPolarHBondContact O-CB 3.27Å; S269-A272 PolarHBondContact O-N 2.66Å; F270-A272 VanDerWaalsContact C-N 3.31Å; A272-L274 VanDerWaalsContact C-N 3.31Å
273D98Very high93.7Very high43 Ų4344.8 Ų44.823%0.2325%0.249CC..SBendtrans-74.5-27.7167.1-65.6-52.4000111.4I249 K250 T251 S294I249-D273 HydrophobicContact CD1-CB 3.91Å; I249-D273 HydrophobicContact CG2-CB 4.12Å; K250-D273 WeakPolarHBondContact CA-OD2 3.27Å; K250-D273 WeakPolarHBondContact CB-OD2 3.42Å; K250-D273 PolarHBondContact N-OD2 3.41Å; T251-D273 PolarHBondContact N-OD2 3.32Å; T251-D273 VanDerWaalsContact N-OD2 3.14Å; T251-D273 PolarHBondContact O-N 3.38Å; T251-D273 PolarHBondContact OG1-N 2.77Å; T251-D273 PolarHBondContact OG1-OD2 3.14Å; D273-S294 PolarHBondContact O-N 3.33Å
274L98.5Very high93.8Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-139.7133.1-176.817262.4000110.9L219 V222 I249 T251 V252 A253 A272 I276 S294 I296L219-L274 HydrophobicContact CD1-CD1 3.93Å; L219-L274 HydrophobicContact CD1-CD2 4.01Å; V222-L274 HydrophobicContact CB-CD2 4.31Å; V222-L274 HydrophobicContact CG1-CD2 3.62Å; I249-L274 HydrophobicContact CD1-CB 4.09Å; I249-L274 HydrophobicContact CG1-CB 4.37Å; I249-L274 HydrophobicContact CG1-CD2 4.49Å; I249-L274 HydrophobicContact CG2-CB 3.74Å; I249-L274 HydrophobicContact CG2-CD2 4.21Å; T251-L274 PolarHBondContact O-N 3.31Å; V252-L274 CarbonylContact C-O 3.49Å; V252-L274 WeakPolarHBondContact CA-O 3.48Å; V252-L274 HydrophobicContact CG1-CD2 4.31Å; V252-L274 HydrophobicContact CG1-CG 4.3Å; V252-L274 HydrophobicContact CG2-CB 4.38Å; V252-L274 HydrophobicContact CG2-CD2 4.3Å; A253-L274 PolarHBondContact N-O 3Å; A272-L274 VanDerWaalsContact C-N 3.31Å; L274-I276 HydrophobicContact CD1-CG1 4.24Å; L274-I276 HydrophobicContact CD2-CD1 3.87Å; L274-I276 HydrophobicContact CD2-CG1 4.01Å; L274-I276 HydrophobicContact CG-CD1 4.25Å; L274-I276 HydrophobicContact CG-CG1 3.84Å; L274-S294 CarbonylContact C-O 3.59Å; L274-S294 VanDerWaalsContact CA-O 3.3Å; L274-S294 WeakPolarHBondContact CA-O 3.28Å; L274-S294 WeakPolarHBondContact CD1-O 3.23Å; L274-I296 HydrophobicContact CD1-CB 4.46Å; L274-I296 HydrophobicContact CD1-CD1 4Å; L274-I296 HydrophobicContact CD1-CG1 3.88Å; L274-I296 HydrophobicContact CD2-CD1 4.01Å
275F98.4Very high94.3Very high0 Ų048.9 Ų48.90%026%0.261CS..EExtended strand (participates in β ladder)trans-112.6127.9170-165.2-90.9000110.5L126 A253 C255 L263 T277 I293 S294 I295 I296L126-F275 HydrophobicContact CD1-CE2 4.02Å; A253-F275 HydrophobicContact CB-CD2 3.47Å; A253-F275 VanDerWaalsContact CB-CD2 3.47Å; A253-F275 HydrophobicContact CB-CE2 3.94Å; A253-F275 HydrophobicContact CB-CG 4.43Å; A253-F275 CarbonylContact O-C 3.51Å; A253-F275 VanDerWaalsContact O-CA 3.29Å; A253-F275 WeakPolarHBondContact O-CA 3.48Å; C255-F275 HydrophobicContact CB-CE1 4.45Å; C255-F275 HydrophobicContact CB-CZ 3.99Å; L263-F275 HydrophobicContact CB-CD1 4.44Å; L263-F275 HydrophobicContact CB-CD2 4.4Å; L263-F275 HydrophobicContact CB-CE1 4.04Å; L263-F275 HydrophobicContact CB-CE2 4.03Å; L263-F275 HydrophobicContact CB-CZ 3.83Å; L263-F275 HydrophobicContact CD1-CB 4.11Å; L263-F275 HydrophobicContact CD1-CD1 4.26Å; L263-F275 HydrophobicContact CD1-CD2 3.67Å; L263-F275 HydrophobicContact CD1-CE2 4.12Å; L263-F275 HydrophobicContact CD1-CG 3.76Å; L263-F275 HydrophobicContact CD2-CD1 4.12Å; L263-F275 HydrophobicContact CD2-CE1 4.36Å; L263-F275 HydrophobicContact CD2-CG 4.41Å; L263-F275 HydrophobicContact CG-CG 4.49Å; F275-T277 HydrophobicContact CD1-CG2 4.02Å; F275-T277 HydrophobicContact CE1-CG2 3.81Å; F275-I293 HydrophobicContact CB-CG2 4Å; F275-S294 PolarHBondContact N-O 3.36Å; F275-I295 CarbonylContact O-C 3.51Å; F275-I295 VanDerWaalsContact O-CA 3.29Å; F275-I295 WeakPolarHBondContact O-CA 3.32Å; F275-I296 PolarHBondContact O-N 3.47Å
276I98.5Very high94.8Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-118.1126.1-178.5-49-178.4000109.1V222 Y226 V252 A253 V254 C255 L274 I296V222-I276 HydrophobicContact CG1-CD1 4.37Å; Y226-I276 HydrophobicContact CD1-CG2 4.45Å; Y226-I276 HydrophobicContact CD2-CD1 3.91Å; Y226-I276 HydrophobicContact CE1-CD1 4.12Å; Y226-I276 HydrophobicContact CE1-CG2 4.17Å; Y226-I276 HydrophobicContact CE2-CD1 3.22Å; Y226-I276 WeakPolarHBondContact OH-CD1 3.45Å; V252-I276 HydrophobicContact CG1-CD1 3.73Å; V252-I276 HydrophobicContact CG1-CG1 3.99Å; A253-I276 PolarHBondContact O-N 2.94Å; V254-I276 VanDerWaalsContact CA-O 3.3Å; V254-I276 WeakPolarHBondContact CA-O 3.17Å; V254-I276 HydrophobicContact CG1-CB 4.01Å; V254-I276 HydrophobicContact CG1-CD1 4.32Å; V254-I276 HydrophobicContact CG1-CG1 4.36Å; C255-I276 PolarHBondContact N-O 3.28Å; L274-I276 HydrophobicContact CD1-CG1 4.24Å; L274-I276 HydrophobicContact CD2-CD1 3.87Å; L274-I276 HydrophobicContact CD2-CG1 4.01Å; L274-I276 HydrophobicContact CG-CD1 4.25Å; L274-I276 HydrophobicContact CG-CG1 3.84Å; I276-I296 WeakPolarHBondContact CA-O 3.42Å; I276-I296 HydrophobicContact CD1-CD1 4.42Å; I276-I296 HydrophobicContact CG1-CB 4.28Å; I276-I296 HydrophobicContact CG1-CD1 4.5Å; I276-I296 HydrophobicContact CG2-CB 4.24Å; I276-I296 HydrophobicContact CG2-CG2 4.18Å
277T98.5Very high95Very high0 Ų048.8 Ų48.80%026%0.262CS..EExtended strand (participates in β ladder)trans-154173.4179.4-169.40000111.4C255 G257 G259 F275 E279 L280 I296 L297 A298C255-T277 WeakPolarHBondContact O-CA 3.05Å; C255-T277 WeakPolarHBondContact O-CB 3.41Å; C255-T277 PolarHBondContact O-OG1 3.28Å; G257-T277 PolarHBondContact O-OG1 2.77Å; G257-T277 VanDerWaalsContact O-OG1 3.07Å; G259-T277 WeakPolarHBondContact CA-OG1 3.47Å; G259-T277 PolarHBondContact N-OG1 2.89Å; F275-T277 HydrophobicContact CD1-CG2 4.02Å; F275-T277 HydrophobicContact CE1-CG2 3.81Å; T277-E279 WeakPolarHBondContact CG2-O 3.34Å; T277-L280 HydrophobicContact CG2-CD1 4.25Å; T277-L280 HydrophobicContact CG2-CD2 4.01Å; T277-L280 HydrophobicContact CG2-CG 3.71Å; T277-I296 PolarHBondContact N-O 2.81Å; T277-L297 HydrophobicContact CG2-CD2 3.58Å; T277-L297 VanDerWaalsContact O-CA 3.31Å; T277-L297 WeakPolarHBondContact O-CA 3.31Å; T277-A298 PolarHBondContact O-N 3.35Å
278G97.8Very high95.4Very high3 Ų344.2 Ų44.23%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-70.9-51175.100000110.9G257 A298 G299G257-G278 WeakPolarHBondContact O-CA 3.13Å; G257-G278 PolarHBondContact O-N 2.9Å; G278-A298 PolarHBondContact O-N 3.13Å; G278-G299 VanDerWaalsContact CA-C 3.42Å; G278-G299 WeakPolarHBondContact CA-O 3.29Å; G278-G299 WeakPolarHBondContact O-CA 3.33Å; G278-G299 PolarHBondContact O-N 3.45Å
279E96.7Very high96Very high86 Ų8644 Ų4440%0.40223%0.227SC..EExtended strand (participates in β ladder)trans-147.8158-174.763.7-179.5-174.300114.2G257 S258 T277 H300G257-E279 PolarHBondContact O-N 3.48Å; G257-E279 VanDerWaalsContact O-N 3.16Å; S258-E279 PolarHBondContact OG-OE1 3.23Å; T277-E279 WeakPolarHBondContact CG2-O 3.34Å; E279-H300 IonicContact OE1-CE1 2.9Å; E279-H300 IonicContact OE1-ND1 3.64Å; E279-H300 PolarHBondContact OE1-ND1 3.44Å
280L97.5Very high96.5Very high17 Ų1747.3 Ų47.39%0.08925%0.25CS..  trans-146.7148.8173.2-71.9180000110.4L263 T277 D284 R285 I295 L297L263-L280 HydrophobicContact CD2-CD1 3.48Å; L263-L280 VanDerWaalsContact CD2-CD1 3.48Å; L263-L280 HydrophobicContact CD2-CD2 3.89Å; L263-L280 HydrophobicContact CD2-CG 4.38Å; T277-L280 HydrophobicContact CG2-CD1 4.25Å; T277-L280 HydrophobicContact CG2-CD2 4.01Å; T277-L280 HydrophobicContact CG2-CG 3.71Å; L280-D284 HydrophobicContact CB-CB 4.29Å; L280-D284 HydrophobicContact CD2-CB 4.16Å; L280-R285 HydrophobicContact CB-CG 3.8Å; L280-R285 HydrophobicContact CD1-CG 4.13Å; L280-I295 HydrophobicContact CD1-CD1 3.79Å; L280-I295 HydrophobicContact CD1-CG1 4.31Å; L280-I295 HydrophobicContact CD1-CG2 3.76Å; L280-L297 HydrophobicContact CB-CD2 4.06Å; L280-L297 HydrophobicContact CD1-CD2 3.99Å; L280-L297 HydrophobicContact CG-CD2 3.76Å
281S97.5Very high96.7Very high54 Ų5449.5 Ų49.538%0.37826%0.256SS..  trans-65.1167.3170.681.50000111.5H283 D284 R285S281-H283 VanDerWaalsContact C-N 3.32Å; S281-H283 PolarHBondContact O-N 3.41Å; S281-H283 PolarHBondContact OG-N 3.27Å; S281-D284 VanDerWaalsContact CB-OD2 3.29Å; S281-D284 WeakPolarHBondContact CB-OD2 3.49Å; S281-D284 PolarHBondContact N-OD2 3.19Å; S281-D284 PolarHBondContact OG-N 3.16Å; S281-D284 VanDerWaalsContact OG-N 3.15Å; S281-D284 PolarHBondContact OG-OD2 2.85Å; S281-R285 WeakPolarHBondContact O-CG 3.41Å; S281-R285 PolarHBondContact O-N 3.11Å; S281-R285 PolarHBondContact O-NE 3.21Å
282H96.8Very high97Very high106 Ų10647.2 Ų47.249%0.49124%0.239SC..Hα-helixtrans-59-43.5173.6178.872.6000112.3R285 L286H282-R285 PolarHBondContact O-N 2.91Å; H282-L286 WeakPolarHBondContact NE2-CD1 3.45Å; H282-L286 PolarHBondContact O-N 3.2Å
283H96.3Very high97Very high140 Ų14047.1 Ų47.165%0.64824%0.238SC*.Hα-helixtrans-71.3-38.2-177.3-69.2-66.9000112.5S281 R285 L286 E287S281-H283 VanDerWaalsContact C-N 3.32Å; S281-H283 PolarHBondContact O-N 3.41Å; S281-H283 PolarHBondContact OG-N 3.27Å; H283-R285 VanDerWaalsContact C-N 3.27Å; H283-R285 PolarHBondContact O-N 3.38Å; H283-L286 PolarHBondContact O-N 3.48Å; H283-E287 WeakPolarHBondContact O-CB 3.43Å; H283-E287 PolarHBondContact O-N 2.87Å
284D96.5Very high97Very high41 Ų4145.1 Ų45.122%0.21923%0.227CC..Hα-helixtrans-63.4-36.7176.5-58.6-41.5000111.5C264 L280 S281 E287 A288C264-D284 PolarHBondContact SG-OD1 3.45Å; L280-D284 HydrophobicContact CB-CB 4.29Å; L280-D284 HydrophobicContact CD2-CB 4.16Å; S281-D284 VanDerWaalsContact CB-OD2 3.29Å; S281-D284 WeakPolarHBondContact CB-OD2 3.49Å; S281-D284 PolarHBondContact N-OD2 3.19Å; S281-D284 PolarHBondContact OG-N 3.16Å; S281-D284 VanDerWaalsContact OG-N 3.15Å; S281-D284 PolarHBondContact OG-OD2 2.85Å; D284-E287 PolarHBondContact O-N 3.07Å; D284-A288 WeakPolarHBondContact O-CB 3.48Å; D284-A288 PolarHBondContact O-N 3.22Å
285R96.9Very high97Very high87 Ų8745.1 Ų45.133%0.32823%0.227SC..Hα-helixtrans-63.2-46.4173.7-72.8-179.3-77.3177.3-2.3112L280 S281 H282 H283 E287 V289 I295L280-R285 HydrophobicContact CB-CG 3.8Å; L280-R285 HydrophobicContact CD1-CG 4.13Å; S281-R285 WeakPolarHBondContact O-CG 3.41Å; S281-R285 PolarHBondContact O-N 3.11Å; S281-R285 PolarHBondContact O-NE 3.21Å; H282-R285 PolarHBondContact O-N 2.91Å; H283-R285 VanDerWaalsContact C-N 3.27Å; H283-R285 PolarHBondContact O-N 3.38Å; R285-E287 VanDerWaalsContact C-N 3.33Å; R285-V289 WeakPolarHBondContact O-CB 3.29Å; R285-V289 VanDerWaalsContact O-CG2 3.23Å; R285-V289 WeakPolarHBondContact O-CG2 3.49Å; R285-V289 PolarHBondContact O-N 3.34Å; R285-I295 HydrophobicContact CB-CD1 4.21Å; R285-I295 HydrophobicContact CG-CD1 4.14Å
286L96.7Very high97Very high93 Ų9345.1 Ų45.149%0.48723%0.227SC..Hα-helixtrans-61.6-43.5177.6-72178.4000111.5H282 H283 V289 S290H282-L286 WeakPolarHBondContact NE2-CD1 3.45Å; H282-L286 PolarHBondContact O-N 3.2Å; H283-L286 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 2.85Å; L286-S290 WeakPolarHBondContact O-CB 3.3Å; L286-S290 PolarHBondContact O-N 3.21Å
287E94.8Very high97Very high75 Ų7546.1 Ų46.135%0.3523%0.233SC..Hα-helixtrans-59.5-52.5179.4-176.160.9-155.300111.1H283 D284 R285 V289 S290 R291H283-E287 WeakPolarHBondContact O-CB 3.43Å; H283-E287 PolarHBondContact O-N 2.87Å; D284-E287 PolarHBondContact O-N 3.07Å; R285-E287 VanDerWaalsContact C-N 3.33Å; E287-V289 PolarHBondContact O-N 3.38Å; E287-S290 PolarHBondContact O-N 2.79Å; E287-S290 PolarHBondContact O-OG 3.38Å; E287-R291 WeakPolarHBondContact O-CG 3.14Å; E287-R291 PolarHBondContact O-N 2.87Å; E287-R291 IonicContact OE1-CZ 3.68Å; E287-R291 IonicContact OE1-NE 3.75Å; E287-R291 PolarHBondContact OE1-NE 2.97Å; E287-R291 IonicContact OE1-NH2 3.24Å; E287-R291 PolarHBondContact OE1-NH2 2.8Å
288A96Very high96.9Very high2 Ų246.2 Ų46.22%0.01723%0.233CC..Hα-helixtrans-64-43179.200000112.9L263 D284 S290 R291 G292 I293 I295L263-A288 HydrophobicContact CD1-CB 4.03Å; L263-A288 HydrophobicContact CD2-CB 3.73Å; L263-A288 HydrophobicContact CG-CB 4.15Å; D284-A288 WeakPolarHBondContact O-CB 3.48Å; D284-A288 PolarHBondContact O-N 3.22Å; A288-S290 VanDerWaalsContact C-N 3.33Å; A288-S290 PolarHBondContact O-N 3.37Å; A288-R291 WeakPolarHBondContact O-CB 3.16Å; A288-R291 PolarHBondContact O-N 2.96Å; A288-R291 VanDerWaalsContact O-N 3.16Å; A288-G292 PolarHBondContact O-N 2.81Å; A288-I293 CarbonylContact C-O 3.57Å; A288-I293 HydrophobicContact CB-CB 4.3Å; A288-I293 WeakPolarHBondContact O-CB 3.41Å; A288-I293 PolarHBondContact O-N 3.22Å; A288-I295 HydrophobicContact CB-CD1 3.57Å; A288-I295 HydrophobicContact CB-CG1 4.06Å
289V97Very high96.9Very high36 Ų3647.2 Ų47.222%0.21824%0.243CC..Hα-helixtrans-60.6-44.6175.9168.70000110.5A238 L241 R285 L286 E287 R291 G292 I295A238-V289 HydrophobicContact CB-CG2 3.82Å; L241-V289 WeakPolarHBondContact CB-O 3.42Å; L241-V289 PolarHBondContact N-O 3.43Å; R285-V289 WeakPolarHBondContact O-CB 3.29Å; R285-V289 VanDerWaalsContact O-CG2 3.23Å; R285-V289 WeakPolarHBondContact O-CG2 3.49Å; R285-V289 PolarHBondContact O-N 3.34Å; L286-V289 PolarHBondContact O-N 2.85Å; E287-V289 PolarHBondContact O-N 3.38Å; V289-R291 PolarHBondContact O-N 2.92Å; V289-G292 PolarHBondContact O-N 3.49Å; V289-I295 HydrophobicContact CG2-CD1 4.4Å
290S96.2Very high96.8Very high69 Ų6945 Ų4548%0.48323%0.233SC..Hα-helixtrans-59.8-29.3179.2800000113.2L286 E287 A288 G292L286-S290 WeakPolarHBondContact O-CB 3.3Å; L286-S290 PolarHBondContact O-N 3.21Å; E287-S290 PolarHBondContact O-N 2.79Å; E287-S290 PolarHBondContact O-OG 3.38Å; A288-S290 VanDerWaalsContact C-N 3.33Å; A288-S290 PolarHBondContact O-N 3.37Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 3.18Å
291R95Very high96.8Very high119 Ų11944.2 Ų44.245%0.44923%0.229SC..THydrogen-bonded Turntrans-80.6-2.8175.8-67.6172.1-178.6-95.3-5.5113.7E287 A288 V289 I293E287-R291 WeakPolarHBondContact O-CG 3.14Å; E287-R291 PolarHBondContact O-N 2.87Å; E287-R291 IonicContact OE1-CZ 3.68Å; E287-R291 IonicContact OE1-NE 3.75Å; E287-R291 PolarHBondContact OE1-NE 2.97Å; E287-R291 IonicContact OE1-NH2 3.24Å; E287-R291 PolarHBondContact OE1-NH2 2.8Å; A288-R291 WeakPolarHBondContact O-CB 3.16Å; A288-R291 PolarHBondContact O-N 2.96Å; A288-R291 VanDerWaalsContact O-N 3.16Å; V289-R291 PolarHBondContact O-N 2.92Å; R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 HydrophobicContact CB-CD1 4.1Å; R291-I293 HydrophobicContact CB-CG1 4.03Å
292G96.1Very high96.7Very high16 Ų1643 Ų4317%0.16522%0.219CC..THydrogen-bonded Turntrans819.9-176.200000114.1K243 A288 V289 S290K243-G292 WeakPolarHBondContact CE-O 3.37Å; A288-G292 PolarHBondContact O-N 2.81Å; V289-G292 PolarHBondContact O-N 3.49Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 3.18Å
293I97.8Very high96.7Very high2 Ų237.9 Ų37.91%0.0120%0.196CC..  trans-84.7122.5177.4-51.2174.6000107.9G240 L263 F270 F275 A288 R291G240-I293 WeakPolarHBondContact CA-O 3.48Å; L263-I293 HydrophobicContact CD1-CD1 4.4Å; F270-I293 HydrophobicContact CD1-CD1 4.37Å; F275-I293 HydrophobicContact CB-CG2 4Å; A288-I293 CarbonylContact C-O 3.57Å; A288-I293 HydrophobicContact CB-CB 4.3Å; A288-I293 WeakPolarHBondContact O-CB 3.41Å; A288-I293 PolarHBondContact O-N 3.22Å; R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 HydrophobicContact CB-CD1 4.1Å; R291-I293 HydrophobicContact CB-CG1 4.03Å
294S98.4Very high96.8Very high1 Ų131.4 Ų31.41%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-78.2152.6172.4-56.60000110.2A238 G240 D273 L274 F275A238-S294 CarbonylContact O-C 3.41Å; A238-S294 WeakPolarHBondContact O-CA 3.28Å; G240-S294 PolarHBondContact N-OG 2.8Å; G240-S294 VanDerWaalsContact N-OG 3.1Å; D273-S294 PolarHBondContact O-N 3.33Å; L274-S294 CarbonylContact C-O 3.59Å; L274-S294 VanDerWaalsContact CA-O 3.3Å; L274-S294 WeakPolarHBondContact CA-O 3.28Å; L274-S294 WeakPolarHBondContact CD1-O 3.23Å; F275-S294 PolarHBondContact N-O 3.36Å
295I98.3Very high96.8Very high1 Ų133.1 Ų33.11%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-126.1138.3-177.7-59165.8000109.8V237 A238 F275 L280 R285 A288 V289 L297V237-I295 VanDerWaalsContact CA-O 3.3Å; V237-I295 WeakPolarHBondContact CA-O 3.42Å; V237-I295 WeakPolarHBondContact CG1-O 3.47Å; A238-I295 HydrophobicContact CB-CB 4.24Å; A238-I295 HydrophobicContact CB-CD1 4.49Å; A238-I295 PolarHBondContact N-O 2.97Å; A238-I295 PolarHBondContact O-N 2.79Å; F275-I295 CarbonylContact O-C 3.51Å; F275-I295 VanDerWaalsContact O-CA 3.29Å; F275-I295 WeakPolarHBondContact O-CA 3.32Å; L280-I295 HydrophobicContact CD1-CD1 3.79Å; L280-I295 HydrophobicContact CD1-CG1 4.31Å; L280-I295 HydrophobicContact CD1-CG2 3.76Å; R285-I295 HydrophobicContact CB-CD1 4.21Å; R285-I295 HydrophobicContact CG-CD1 4.14Å; A288-I295 HydrophobicContact CB-CD1 3.57Å; A288-I295 HydrophobicContact CB-CG1 4.06Å; V289-I295 HydrophobicContact CG2-CD1 4.4Å; I295-L297 HydrophobicContact CG2-CD2 3.55Å; I295-L297 HydrophobicContact CG2-CG 3.9Å
296I98.5Very high96.7Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-116.5124.5161.7-69170000108L219 V222 I223 L235 V237 L274 F275 I276 T277L219-I296 HydrophobicContact CD1-CD1 4.23Å; V222-I296 HydrophobicContact CG1-CD1 4.13Å; I223-I296 HydrophobicContact CG1-CD1 3.82Å; I223-I296 HydrophobicContact CG1-CG1 4.27Å; L235-I296 HydrophobicContact CB-CG2 4.37Å; L235-I296 HydrophobicContact CD1-CG2 3.94Å; L235-I296 HydrophobicContact CD2-CG2 4.35Å; L235-I296 HydrophobicContact CG-CG2 4.46Å; V237-I296 HydrophobicContact CG2-CG1 4.24Å; L274-I296 HydrophobicContact CD1-CB 4.46Å; L274-I296 HydrophobicContact CD1-CD1 4Å; L274-I296 HydrophobicContact CD1-CG1 3.88Å; L274-I296 HydrophobicContact CD2-CD1 4.01Å; F275-I296 PolarHBondContact O-N 3.47Å; I276-I296 WeakPolarHBondContact CA-O 3.42Å; I276-I296 HydrophobicContact CD1-CD1 4.42Å; I276-I296 HydrophobicContact CG1-CB 4.28Å; I276-I296 HydrophobicContact CG1-CD1 4.5Å; I276-I296 HydrophobicContact CG2-CB 4.24Å; I276-I296 HydrophobicContact CG2-CG2 4.18Å; T277-I296 PolarHBondContact N-O 2.81Å
297L98.2Very high96.8Very high21 Ų2125.6 Ų25.611%0.1114%0.14CC..EExtended strand (participates in β ladder)trans-107.3125.9170.8-54.1-177.2000109.8T236 T277 L280 I295T236-L297 HydrophobicContact CG2-CD1 4.36Å; T236-L297 PolarHBondContact N-O 2.85Å; T236-L297 VanDerWaalsContact N-O 3.11Å; T236-L297 PolarHBondContact O-N 2.95Å; T277-L297 HydrophobicContact CG2-CD2 3.58Å; T277-L297 VanDerWaalsContact O-CA 3.31Å; T277-L297 WeakPolarHBondContact O-CA 3.31Å; L280-L297 HydrophobicContact CB-CD2 4.06Å; L280-L297 HydrophobicContact CD1-CD2 3.99Å; L280-L297 HydrophobicContact CG-CD2 3.76Å; I295-L297 HydrophobicContact CG2-CD2 3.55Å; I295-L297 HydrophobicContact CG2-CG 3.9Å
298A96.8Very high96.9Very high2 Ų222.1 Ų22.12%0.01712%0.124CC..  trans-118.2-0.8-172.600000115.1L230 M232 L235 T277 G278 V302 T303L230-A298 HydrophobicContact CD1-CB 3.53Å; M232-A298 WeakPolarHBondContact CE-O 3.33Å; M232-A298 HydrophobicContact SD-CB 4.09Å; L235-A298 HydrophobicContact CD2-CB 3.63Å; T277-A298 PolarHBondContact O-N 3.35Å; G278-A298 PolarHBondContact O-N 3.13Å; A298-V302 VanDerWaalsContact O-CB 3.25Å; A298-V302 WeakPolarHBondContact O-CB 3.31Å; A298-V302 WeakPolarHBondContact O-CG1 3.1Å; A298-T303 HydrophobicContact CB-CG2 3.72Å
299G95.9Very high96.9Very high23 Ų2328.9 Ų28.924%0.23715%0.153CC..  trans93.2142.6-174.100000112G278 V302 T303G278-G299 VanDerWaalsContact CA-C 3.42Å; G278-G299 WeakPolarHBondContact CA-O 3.29Å; G278-G299 WeakPolarHBondContact O-CA 3.33Å; G278-G299 PolarHBondContact O-N 3.45Å; G299-V302 PolarHBondContact O-N 2.88Å; G299-T303 WeakPolarHBondContact O-CG2 3.33Å; G299-T303 PolarHBondContact O-N 2.97Å; G299-T303 PolarHBondContact O-OG1 2.87Å
300H96.5Very high96.8Very high39 Ų3930.8 Ų30.818%0.18116%0.16CC..THydrogen-bonded Turntrans-63.2-66.6-167.6-166.4119.7000110.9H66 E279 V302 T303 E304 E342H66-H300 AromaticContact CE1-CD2 3.74Å; H66-H300 AromaticContact CE1-NE2 3.43Å; H66-H300 PolarHBondContact CE1-NE2 3.16Å; H66-H300 AromaticContact NE2-NE2 3.56Å; E279-H300 IonicContact OE1-CE1 2.9Å; E279-H300 IonicContact OE1-ND1 3.64Å; E279-H300 PolarHBondContact OE1-ND1 3.44Å; H300-V302 PolarHBondContact O-N 2.77Å; H300-T303 PolarHBondContact O-N 2.71Å; H300-T303 PolarHBondContact O-OG1 3.07Å; H300-E304 IonicContact CD2-OE1 2.77Å; H300-E304 PolarHBondContact CD2-OE1 3Å; H300-E304 IonicContact CD2-OE2 3.48Å; H300-E304 PolarHBondContact CD2-OE2 3.16Å; H300-E304 IonicContact NE2-OE1 3.14Å; H300-E304 PolarHBondContact NE2-OE1 3.41Å; H300-E304 IonicContact NE2-OE2 2.87Å; H300-E342 WeakPolarHBondContact CB-OE1 3.33Å; H300-E342 PolarHBondContact N-OE1 3.23Å; H300-E342 PolarHBondContact N-OE2 2.72Å
301S95.9Very high96.7Very high1 Ų131.5 Ų31.51%0.00715%0.152CC..THydrogen-bonded Turntrans-65.3-25.2178.377.80000112.5T303 E304 R305 E342S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 3.4Å; S301-E304 PolarHBondContact O-N 2.82Å; S301-E304 VanDerWaalsContact O-N 3.13Å; S301-R305 WeakPolarHBondContact O-CB 3.09Å; S301-R305 WeakPolarHBondContact O-CG 3.41Å; S301-R305 PolarHBondContact O-N 2.78Å; S301-R305 PolarHBondContact OG-NE 3.43Å; S301-R305 PolarHBondContact OG-NH2 3.14Å; S301-E342 WeakPolarHBondContact CA-OE2 3.43Å; S301-E342 VanDerWaalsContact CB-OE2 3.3Å; S301-E342 WeakPolarHBondContact CB-OE2 3.4Å; S301-E342 PolarHBondContact N-OE2 3.14Å; S301-E342 WeakPolarHBondContact OG-CA 3.49Å; S301-E342 WeakPolarHBondContact OG-CB 3.16Å; S301-E342 PolarHBondContact OG-N 3.18Å; S301-E342 PolarHBondContact OG-OE2 3.29Å
302V95.8Very high96.8Very high28 Ų2825.8 Ų25.817%0.1713%0.131CC..Hα-helixtrans-65.9-35.4178.7-179.60000111.2L230 M232 A298 G299 H300 E304 E342L230-V302 HydrophobicContact CB-CG1 4.11Å; L230-V302 HydrophobicContact CD1-CG1 4.46Å; M232-V302 HydrophobicContact CE-CG1 4.4Å; M232-V302 HydrophobicContact CG-CG1 3.99Å; M232-V302 HydrophobicContact SD-CG1 3.57Å; M232-V302 VanDerWaalsContact SD-CG1 3.57Å; A298-V302 VanDerWaalsContact O-CB 3.25Å; A298-V302 WeakPolarHBondContact O-CB 3.31Å; A298-V302 WeakPolarHBondContact O-CG1 3.1Å; G299-V302 PolarHBondContact O-N 2.88Å; H300-V302 PolarHBondContact O-N 2.77Å; V302-E304 PolarHBondContact O-N 3.05Å; V302-E342 PolarHBondContact N-OE2 2.84Å
303T97.8Very high96.8Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-77.54.7174.257.40000114.5W113 L114 A256 G257 A298 G299 H300 S301W113-T303 WeakPolarHBondContact CZ3-O 3.35Å; L114-T303 HydrophobicContact CD1-CG2 4.37Å; L114-T303 HydrophobicContact CD2-CG2 4.46Å; A256-T303 VanDerWaalsContact CB-O 3.31Å; A256-T303 WeakPolarHBondContact CB-O 3.44Å; G257-T303 PolarHBondContact N-OG1 2.67Å; A298-T303 HydrophobicContact CB-CG2 3.72Å; G299-T303 WeakPolarHBondContact O-CG2 3.33Å; G299-T303 PolarHBondContact O-N 2.97Å; G299-T303 PolarHBondContact O-OG1 2.87Å; H300-T303 PolarHBondContact O-N 2.71Å; H300-T303 PolarHBondContact O-OG1 3.07Å; S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 3.4Å
304E97.8Very high96.6Very high3 Ų328 Ų281%0.01414%0.141CC..Hα-helixtrans-128.9-51.6-172.9-63.5165.9169.200112N44 Y65 H66 A256 G257 H300 S301 V302 G306 F307N44-E304 PolarHBondContact ND2-OE2 2.81Å; N44-E304 VanDerWaalsContact OD1-CB 3.24Å; N44-E304 WeakPolarHBondContact OD1-CB 3.3Å; N44-E304 PolarHBondContact OD1-OE2 2.77Å; Y65-E304 HydrophobicContact CD1-CB 4.4Å; Y65-E304 HydrophobicContact CD1-CG 4.43Å; Y65-E304 HydrophobicContact CE1-CB 4.29Å; Y65-E304 HydrophobicContact CE1-CG 3.88Å; H66-E304 IonicContact CE1-OE2 2.67Å; H66-E304 PolarHBondContact CE1-OE2 3.14Å; H66-E304 VanDerWaalsContact CE1-OE2 3.24Å; H66-E304 IonicContact NE2-OE1 2.81Å; H66-E304 IonicContact NE2-OE2 3.59Å; A256-E304 HydrophobicContact CB-CG 3.99Å; G257-E304 WeakPolarHBondContact CA-OE1 3.34Å; G257-E304 PolarHBondContact N-OE1 2.95Å; H300-E304 IonicContact CD2-OE1 2.77Å; H300-E304 PolarHBondContact CD2-OE1 3Å; H300-E304 IonicContact CD2-OE2 3.48Å; H300-E304 PolarHBondContact CD2-OE2 3.16Å; H300-E304 IonicContact NE2-OE1 3.14Å; H300-E304 PolarHBondContact NE2-OE1 3.41Å; H300-E304 IonicContact NE2-OE2 2.87Å; S301-E304 PolarHBondContact O-N 2.82Å; S301-E304 VanDerWaalsContact O-N 3.13Å; V302-E304 PolarHBondContact O-N 3.05Å; E304-G306 VanDerWaalsContact C-N 3.31Å; E304-G306 PolarHBondContact O-N 2.96Å; E304-G306 VanDerWaalsContact O-N 3.16Å; E304-F307 WeakPolarHBondContact O-CB 3.4Å; E304-F307 PolarHBondContact O-N 3Å
305R96Very high96.4Very high78 Ų7829.2 Ų29.229%0.29415%0.147SC..Hα-helixtrans-54.8-40.4-171.1-81.2-175.1-61.3146.41.6114.4N44 S301 F307 F308 D340N44-R305 HydrophobicContact CB-CG 3.57Å; S301-R305 WeakPolarHBondContact O-CB 3.09Å; S301-R305 WeakPolarHBondContact O-CG 3.41Å; S301-R305 PolarHBondContact O-N 2.78Å; S301-R305 PolarHBondContact OG-NE 3.43Å; S301-R305 PolarHBondContact OG-NH2 3.14Å; R305-F307 PolarHBondContact O-N 2.77Å; R305-F308 PolarHBondContact O-N 3.26Å; R305-F308 VanDerWaalsContact O-N 3.13Å; R305-D340 WeakPolarHBondContact CD-OD2 3.3Å; R305-D340 PolarHBondContact NH1-O 2.68Å
306G96.3Very high96.2Very high21 Ų2129.1 Ų29.122%0.21615%0.147CC..Hα-helixtrans-59-32.9-178.600000113W113 E304 F308 K309 E310W113-G306 VanDerWaalsContact CZ2-C 3.48Å; W113-G306 VanDerWaalsContact CZ2-CA 3.49Å; E304-G306 VanDerWaalsContact C-N 3.31Å; E304-G306 PolarHBondContact O-N 2.96Å; E304-G306 VanDerWaalsContact O-N 3.16Å; G306-F308 VanDerWaalsContact C-N 3.28Å; G306-F308 PolarHBondContact O-N 2.96Å; G306-K309 PolarHBondContact O-N 3.17Å; G306-E310 WeakPolarHBondContact O-CB 3.33Å; G306-E310 WeakPolarHBondContact O-CG 3.45Å; G306-E310 PolarHBondContact O-N 3.45Å
307F97.3Very high96Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-57.1-40.5176.8177.3-97.9000112.5L103 G109 I110 W113 E304 R305 K309 E310 R311 F312L103-F307 HydrophobicContact CD1-CE1 3.82Å; L103-F307 HydrophobicContact CD1-CZ 3.87Å; L103-F307 HydrophobicContact CD2-CD1 4.1Å; L103-F307 HydrophobicContact CD2-CE1 3.61Å; L103-F307 HydrophobicContact CD2-CZ 4.45Å; L103-F307 HydrophobicContact CG-CE1 3.97Å; L103-F307 HydrophobicContact CG-CZ 4.34Å; G109-F307 VanDerWaalsContact C-CE2 3.49Å; I110-F307 HydrophobicContact CB-CD2 4.48Å; I110-F307 HydrophobicContact CB-CG 4.38Å; I110-F307 HydrophobicContact CD1-CD1 4.16Å; I110-F307 HydrophobicContact CD1-CG 4.42Å; I110-F307 HydrophobicContact CG1-CB 3.73Å; I110-F307 HydrophobicContact CG1-CD1 3.48Å; I110-F307 VanDerWaalsContact CG1-CD1 3.48Å; I110-F307 HydrophobicContact CG1-CD2 3.89Å; I110-F307 HydrophobicContact CG1-CE1 4.05Å; I110-F307 HydrophobicContact CG1-CE2 4.38Å; I110-F307 HydrophobicContact CG1-CG 3.4Å; I110-F307 HydrophobicContact CG1-CZ 4.45Å; W113-F307 HydrophobicContact CB-CD2 3.55Å; W113-F307 HydrophobicContact CB-CE2 4.21Å; W113-F307 HydrophobicContact CD2-CB 3.94Å; W113-F307 HydrophobicContact CD2-CD2 4.42Å; W113-F307 HydrophobicContact CE3-CB 3.95Å; W113-F307 HydrophobicContact CG-CB 4.26Å; W113-F307 AromaticContact CG-CD2 3.89Å; W113-F307 HydrophobicContact CG-CD2 3.89Å; E304-F307 WeakPolarHBondContact O-CB 3.4Å; E304-F307 PolarHBondContact O-N 3Å; R305-F307 PolarHBondContact O-N 2.77Å; F307-K309 PolarHBondContact O-N 3.16Å; F307-E310 PolarHBondContact O-N 3.06Å; F307-R311 HydrophobicContact CD2-CB 3.72Å; F307-R311 HydrophobicContact CD2-CG 3.95Å; F307-R311 HydrophobicContact CE2-CB 3.51Å; F307-R311 HydrophobicContact CE2-CG 3.96Å; F307-R311 HydrophobicContact CG-CB 4.36Å; F307-R311 HydrophobicContact CZ-CB 3.96Å; F307-R311 WeakPolarHBondContact O-CA 3.34Å; F307-R311 WeakPolarHBondContact O-CB 3.47Å; F307-R311 PolarHBondContact O-N 2.78Å; F307-F312 HydrophobicContact CD1-CB 4.13Å; F307-F312 HydrophobicContact CE1-CB 3.8Å; F307-F312 HydrophobicContact CE1-CD2 4.38Å; F307-F312 PolarHBondContact O-N 2.88Å
308F97.6Very high95.7Very high2 Ų236.1 Ų36.11%0.00917%0.174CC..Iπ-helixtrans-64.3-43.7-176.3-74.7-78000112I42 Y65 L103 R305 G306 F312 I313 L336I42-F308 HydrophobicContact CG2-CB 3.92Å; I42-F308 HydrophobicContact CG2-CD1 3.33Å; I42-F308 HydrophobicContact CG2-CE1 4.04Å; I42-F308 HydrophobicContact CG2-CG 3.78Å; Y65-F308 VanDerWaalsContact CB-CZ 3.5Å; Y65-F308 HydrophobicContact CD2-CE2 4.01Å; Y65-F308 AromaticContact CD2-CZ 3.69Å; Y65-F308 HydrophobicContact CD2-CZ 3.69Å; Y65-F308 AromaticContact CG-CE2 3.88Å; Y65-F308 HydrophobicContact CG-CE2 3.88Å; Y65-F308 AromaticContact CG-CZ 3.87Å; Y65-F308 HydrophobicContact CG-CZ 3.87Å; L103-F308 HydrophobicContact CD2-CE1 4.5Å; L103-F308 HydrophobicContact CD2-CZ 4.33Å; R305-F308 PolarHBondContact O-N 3.26Å; R305-F308 VanDerWaalsContact O-N 3.13Å; G306-F308 VanDerWaalsContact C-N 3.28Å; G306-F308 PolarHBondContact O-N 2.96Å; F308-F312 HydrophobicContact CD1-CB 3.83Å; F308-F312 AromaticContact CD1-CD1 3.96Å; F308-F312 HydrophobicContact CD1-CD1 3.96Å; F308-F312 HydrophobicContact CD1-CD2 4.42Å; F308-F312 AromaticContact CD1-CG 3.82Å; F308-F312 HydrophobicContact CD1-CG 3.82Å; F308-F312 HydrophobicContact CE1-CB 4.48Å; F308-F312 HydrophobicContact CE1-CD1 4.46Å; F308-F312 HydrophobicContact CE1-CD2 4.33Å; F308-F312 HydrophobicContact CE1-CG 4.18Å; F308-I313 VanDerWaalsContact O-CB 3.29Å; F308-I313 WeakPolarHBondContact O-CB 3.29Å; F308-I313 VanDerWaalsContact O-CG1 3.28Å; F308-I313 WeakPolarHBondContact O-CG1 3.39Å; F308-I313 PolarHBondContact O-N 3.39Å; F308-L336 HydrophobicContact CB-CD1 3.96Å
309K96Very high95.5Very high145 Ų14536 Ų3663%0.6317%0.173SC*.Iπ-helixtrans-68.2-44.5177.9-174.3176.4179.9173.70112.1G306 F307 P314 L336G306-K309 PolarHBondContact O-N 3.17Å; F307-K309 PolarHBondContact O-N 3.16Å; K309-P314 WeakPolarHBondContact O-CD 3.5Å; K309-L336 HydrophobicContact CB-CD2 3.87Å; K309-L336 HydrophobicContact CD-CD2 4.49Å; K309-L336 HydrophobicContact CG-CD2 4.31Å
310E95.6Very high95.4Very high76 Ų7635.3 Ų35.336%0.35516%0.164SC..Iπ-helixtrans-90.4-24.8-167.6-66.3-176.6-176.900114.2W113 G306 F307W113-E310 PolarHBondContact NE1-OE2 2.91Å; G306-E310 WeakPolarHBondContact O-CB 3.33Å; G306-E310 WeakPolarHBondContact O-CG 3.45Å; G306-E310 PolarHBondContact O-N 3.45Å; F307-E310 PolarHBondContact O-N 3.06Å
311R94.4Very high95.2Very high83 Ų8336 Ų3631%0.31317%0.173SC..Iπ-helixtrans-127.1-62.9-174.4-62.2-66.3174-93.75.5112W113 E116 F307 I313 P314 D315W113-R311 HydrophobicContact CB-CG 4.45Å; W113-R311 HydrophobicContact CG-CG 4.42Å; E116-R311 IonicContact OE1-CZ 3.04Å; E116-R311 IonicContact OE1-NE 3.14Å; E116-R311 PolarHBondContact OE1-NE 2.9Å; E116-R311 IonicContact OE1-NH2 2.65Å; E116-R311 PolarHBondContact OE1-NH2 3.48Å; E116-R311 IonicContact OE2-CZ 2.9Å; E116-R311 IonicContact OE2-NH2 3.95Å; E116-R311 PolarHBondContact OE2-NH2 3.23Å; F307-R311 HydrophobicContact CD2-CB 3.72Å; F307-R311 HydrophobicContact CD2-CG 3.95Å; F307-R311 HydrophobicContact CE2-CB 3.51Å; F307-R311 HydrophobicContact CE2-CG 3.96Å; F307-R311 HydrophobicContact CG-CB 4.36Å; F307-R311 HydrophobicContact CZ-CB 3.96Å; F307-R311 WeakPolarHBondContact O-CA 3.34Å; F307-R311 WeakPolarHBondContact O-CB 3.47Å; F307-R311 PolarHBondContact O-N 2.78Å; R311-I313 PolarHBondContact O-N 3.35Å; R311-P314 VanDerWaalsContact O-CD 3.3Å; R311-P314 WeakPolarHBondContact O-CD 3.37Å; R311-D315 VanDerWaalsContact O-CB 3.29Å; R311-D315 WeakPolarHBondContact O-CB 3.43Å; R311-D315 VanDerWaalsContact O-CG 3.23Å; R311-D315 PolarHBondContact O-N 3.12Å
312F95.9Very high95Very high0 Ų036.2 Ų36.20%017%0.174CC..Iπ-helixtrans-55.7-52.2-173.2-175-90.4000112.7L10 Y13 I42 V63 F307 F308 D315 F316L10-F312 HydrophobicContact CD2-CE2 4.44Å; L10-F312 HydrophobicContact CD2-CZ 3.76Å; Y13-F312 HydrophobicContact CD1-CD2 4.09Å; Y13-F312 AromaticContact CD1-CE2 3.89Å; Y13-F312 HydrophobicContact CD1-CE2 3.89Å; Y13-F312 AromaticContact CE1-CD2 3.58Å; Y13-F312 HydrophobicContact CE1-CD2 3.58Å; Y13-F312 AromaticContact CE1-CE2 3.88Å; Y13-F312 HydrophobicContact CE1-CE2 3.88Å; I42-F312 HydrophobicContact CD1-CD1 3.98Å; I42-F312 HydrophobicContact CD1-CE1 3.89Å; I42-F312 HydrophobicContact CG1-CE1 4.33Å; V63-F312 HydrophobicContact CG1-CE1 4.4Å; V63-F312 HydrophobicContact CG1-CZ 4.04Å; F307-F312 HydrophobicContact CD1-CB 4.13Å; F307-F312 HydrophobicContact CE1-CB 3.8Å; F307-F312 HydrophobicContact CE1-CD2 4.38Å; F307-F312 PolarHBondContact O-N 2.88Å; F308-F312 HydrophobicContact CD1-CB 3.83Å; F308-F312 AromaticContact CD1-CD1 3.96Å; F308-F312 HydrophobicContact CD1-CD1 3.96Å; F308-F312 HydrophobicContact CD1-CD2 4.42Å; F308-F312 AromaticContact CD1-CG 3.82Å; F308-F312 HydrophobicContact CD1-CG 3.82Å; F308-F312 HydrophobicContact CE1-CB 4.48Å; F308-F312 HydrophobicContact CE1-CD1 4.46Å; F308-F312 HydrophobicContact CE1-CD2 4.33Å; F308-F312 HydrophobicContact CE1-CG 4.18Å; F312-D315 PolarHBondContact O-N 3.37Å; F312-F316 HydrophobicContact CD1-CB 4.45Å; F312-F316 HydrophobicContact CE1-CB 4.22Å; F312-F316 HydrophobicContact CE1-CD1 4.42Å; F312-F316 HydrophobicContact CE1-CG 4.36Å; F312-F316 HydrophobicContact CZ-CB 4.42Å; F312-F316 HydrophobicContact CZ-CG 4.28Å; F312-F316 WeakPolarHBondContact O-CB 3.3Å; F312-F316 PolarHBondContact O-N 2.82Å
313I96.3Very high94.9Very high15 Ų1534.9 Ų34.98%0.07717%0.166CC..Hα-helixtrans-63.3-51.2-177-76.7170.6000111.8I42 F308 R311 D315 R317 L334 L336I42-I313 HydrophobicContact CD1-CD1 3.79Å; I42-I313 HydrophobicContact CD1-CG1 3.35Å; F308-I313 VanDerWaalsContact O-CB 3.29Å; F308-I313 WeakPolarHBondContact O-CB 3.29Å; F308-I313 VanDerWaalsContact O-CG1 3.28Å; F308-I313 WeakPolarHBondContact O-CG1 3.39Å; F308-I313 PolarHBondContact O-N 3.39Å; R311-I313 PolarHBondContact O-N 3.35Å; I313-D315 PolarHBondContact O-N 3.2Å; I313-R317 WeakPolarHBondContact O-CB 3.23Å; I313-R317 PolarHBondContact O-N 2.96Å; I313-L334 HydrophobicContact CG2-CB 4.4Å; I313-L334 HydrophobicContact CG2-CD1 4.32Å; I313-L336 HydrophobicContact CD1-CB 3.9Å; I313-L336 HydrophobicContact CD1-CD1 4.24Å; I313-L336 HydrophobicContact CD1-CG 4.48Å
314P94Very high94.3Very high50 Ų5037 Ų3733%0.32518%0.176SC..Hα-helixtrans-55.9-46.4174.5-28.535.2000113.8K309 R311 H318K309-P314 WeakPolarHBondContact O-CD 3.5Å; R311-P314 VanDerWaalsContact O-CD 3.3Å; R311-P314 WeakPolarHBondContact O-CD 3.37Å; P314-H318 PolarHBondContact O-N 2.96Å; P314-H318 VanDerWaalsContact O-N 3.08Å
315D93.4Very high93.1Very high25 Ų2539.3 Ų39.313%0.13419%0.188CC..Hα-helixtrans-69.4-47.5-175.9-69.3-14.4000111.7Y13 T160 N161 R311 F312 I313 R317 H318 L319Y13-D315 HydrophobicContact CE2-CB 3.72Å; Y13-D315 PolarHBondContact OH-OD2 3.1Å; T160-D315 WeakPolarHBondContact OG1-CB 3.4Å; N161-D315 WeakPolarHBondContact ND2-CA 3.45Å; N161-D315 PolarHBondContact ND2-OD1 3.33Å; R311-D315 VanDerWaalsContact O-CB 3.29Å; R311-D315 WeakPolarHBondContact O-CB 3.43Å; R311-D315 VanDerWaalsContact O-CG 3.23Å; R311-D315 PolarHBondContact O-N 3.12Å; F312-D315 PolarHBondContact O-N 3.37Å; I313-D315 PolarHBondContact O-N 3.2Å; D315-R317 PolarHBondContact O-N 2.61Å; D315-H318 PolarHBondContact O-N 3.46Å; D315-L319 PolarHBondContact O-N 3.17Å
316F94.9Very high92Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-69.4-34.3179.7-161.4-112.2000112.2I6 L9 L10 Y13 I40 F312 H318 L319 L320 L334I6-F316 HydrophobicContact CG2-CZ 4.43Å; L9-F316 HydrophobicContact CB-CE2 3.88Å; L9-F316 HydrophobicContact CB-CZ 4.04Å; L10-F316 HydrophobicContact CD2-CD1 4.45Å; L10-F316 HydrophobicContact CD2-CD2 4.27Å; L10-F316 HydrophobicContact CD2-CE1 3.87Å; L10-F316 HydrophobicContact CD2-CE2 3.67Å; L10-F316 HydrophobicContact CD2-CZ 3.46Å; L10-F316 VanDerWaalsContact CD2-CZ 3.46Å; L10-F316 HydrophobicContact CG-CE1 4.31Å; L10-F316 HydrophobicContact CG-CE2 4.03Å; L10-F316 HydrophobicContact CG-CZ 3.61Å; Y13-F316 HydrophobicContact CG-CD2 4.4Å; I40-F316 HydrophobicContact CD1-CE1 3.9Å; F312-F316 HydrophobicContact CD1-CB 4.45Å; F312-F316 HydrophobicContact CE1-CB 4.22Å; F312-F316 HydrophobicContact CE1-CD1 4.42Å; F312-F316 HydrophobicContact CE1-CG 4.36Å; F312-F316 HydrophobicContact CZ-CB 4.42Å; F312-F316 HydrophobicContact CZ-CG 4.28Å; F312-F316 WeakPolarHBondContact O-CB 3.3Å; F312-F316 PolarHBondContact O-N 2.82Å; F316-H318 VanDerWaalsContact C-N 3.33Å; F316-H318 PolarHBondContact O-N 3.24Å; F316-L319 HydrophobicContact CD2-CD2 4.07Å; F316-L319 HydrophobicContact CE2-CD2 4.06Å; F316-L319 PolarHBondContact O-N 2.82Å; F316-L320 HydrophobicContact CD1-CD1 3.69Å; F316-L320 HydrophobicContact CD1-CG 4.13Å; F316-L320 HydrophobicContact CE1-CD1 3.68Å; F316-L320 HydrophobicContact CE1-CD2 4.17Å; F316-L320 HydrophobicContact CE1-CG 3.93Å; F316-L320 HydrophobicContact CZ-CD2 4.36Å; F316-L320 HydrophobicContact CZ-CG 4.37Å; F316-L320 WeakPolarHBondContact O-CB 3.45Å; F316-L320 VanDerWaalsContact O-CG 3.31Å; F316-L320 WeakPolarHBondContact O-CG 3.43Å; F316-L320 PolarHBondContact O-N 2.89Å; F316-L334 HydrophobicContact CB-CD1 4.32Å; F316-L334 HydrophobicContact CD1-CD1 4.16Å; F316-L334 HydrophobicContact CD1-CD2 4.16Å
317R94Very high90.8Very high122 Ų12243.3 Ų43.346%0.4624%0.242SC..Hα-helixtrans-60.9-43.4171-175.9-177.2-64.5110.5-2.7111.3I313 D315 L320 S321 L334I313-R317 WeakPolarHBondContact O-CB 3.23Å; I313-R317 PolarHBondContact O-N 2.96Å; D315-R317 PolarHBondContact O-N 2.61Å; R317-L320 PolarHBondContact O-N 3.46Å; R317-S321 PolarHBondContact O-N 3.22Å; R317-L334 HydrophobicContact CB-CD1 3.98Å
318H91.8Very high89.8Confident45 Ų4550.5 Ų50.521%0.20828%0.276CS..Hα-helixtrans-64.4-44177.3-170.857.2000111.1M142 N161 P314 D315 F316 L320 S321M142-H318 WeakPolarHBondContact CE-CD2 3.47Å; M142-H318 WeakPolarHBondContact CE-NE2 3.13Å; N161-H318 PolarHBondContact OD1-CD2 3.38Å; N161-H318 PolarHBondContact OD1-NE2 3.06Å; P314-H318 PolarHBondContact O-N 2.96Å; P314-H318 VanDerWaalsContact O-N 3.08Å; D315-H318 PolarHBondContact O-N 3.46Å; F316-H318 VanDerWaalsContact C-N 3.33Å; F316-H318 PolarHBondContact O-N 3.24Å; H318-L320 PolarHBondContact O-N 3.23Å; H318-S321 PolarHBondContact O-N 2.96Å; H318-S321 VanDerWaalsContact O-N 3.16Å; H318-S321 PolarHBondContact O-OG 3.2Å
319L92.8Very high88.8Confident0 Ų055 Ų550%030%0.299CS..Hα-helixtrans-57.1-48.8174.6-179.657000112.1L9 F146 V150 D315 F316 S321 T322L9-L319 HydrophobicContact CB-CD2 4.15Å; L9-L319 HydrophobicContact CD2-CD1 4.02Å; L9-L319 HydrophobicContact CD2-CD2 4.06Å; L9-L319 HydrophobicContact CD2-CG 3.94Å; F146-L319 HydrophobicContact CD1-CD1 3.69Å; F146-L319 HydrophobicContact CE1-CD1 3.69Å; V150-L319 HydrophobicContact CG2-CD1 4.3Å; D315-L319 PolarHBondContact O-N 3.17Å; F316-L319 HydrophobicContact CD2-CD2 4.07Å; F316-L319 HydrophobicContact CE2-CD2 4.06Å; F316-L319 PolarHBondContact O-N 2.82Å; L319-S321 VanDerWaalsContact C-N 3.26Å; L319-S321 PolarHBondContact O-N 2.75Å; L319-T322 PolarHBondContact O-N 3.04Å; L319-T322 VanDerWaalsContact O-N 3.09Å; L319-T322 PolarHBondContact O-OG1 3.27Å
320L93.8Very high88Confident9 Ų949.2 Ų49.25%0.04728%0.276CS..Hα-helixtrans-58.8-36176.9-74.2167.4000112.8M1 L9 F316 R317 H318 T322 V323 V332 L334M1-L320 HydrophobicContact SD-CD2 4.03Å; L9-L320 HydrophobicContact CD1-CD2 3.91Å; F316-L320 HydrophobicContact CD1-CD1 3.69Å; F316-L320 HydrophobicContact CD1-CG 4.13Å; F316-L320 HydrophobicContact CE1-CD1 3.68Å; F316-L320 HydrophobicContact CE1-CD2 4.17Å; F316-L320 HydrophobicContact CE1-CG 3.93Å; F316-L320 HydrophobicContact CZ-CD2 4.36Å; F316-L320 HydrophobicContact CZ-CG 4.37Å; F316-L320 WeakPolarHBondContact O-CB 3.45Å; F316-L320 VanDerWaalsContact O-CG 3.31Å; F316-L320 WeakPolarHBondContact O-CG 3.43Å; F316-L320 PolarHBondContact O-N 2.89Å; R317-L320 PolarHBondContact O-N 3.46Å; H318-L320 PolarHBondContact O-N 3.23Å; L320-T322 PolarHBondContact O-N 3.16Å; L320-T322 VanDerWaalsContact O-N 3.17Å; L320-V323 PolarHBondContact O-N 3.35Å; L320-V332 HydrophobicContact CD1-CB 4.19Å; L320-V332 HydrophobicContact CD1-CG1 4.22Å; L320-L334 HydrophobicContact CD1-CD1 4.4Å; L320-L334 HydrophobicContact CD1-CD2 3.92Å; L320-L334 HydrophobicContact CD1-CG 4.36Å
321S92Very high87.6Confident53 Ų5352.7 Ų52.737%0.37129%0.292SS..THydrogen-bonded Turntrans-68.7-9.117973.80000114.5R317 H318 L319R317-S321 PolarHBondContact O-N 3.22Å; H318-S321 PolarHBondContact O-N 2.96Å; H318-S321 VanDerWaalsContact O-N 3.16Å; H318-S321 PolarHBondContact O-OG 3.2Å; L319-S321 VanDerWaalsContact C-N 3.26Å; L319-S321 PolarHBondContact O-N 2.75Å
322T92.4Very high87.7Confident6 Ų649.6 Ų49.64%0.03728%0.282CS..THydrogen-bonded Turntrans-106.119.2179.763.60000113.1M142 N143 E144 N145 F146 G147 D148 L319 L320M142-T322 HydrophobicContact CE-CG2 4.47Å; N143-T322 WeakPolarHBondContact O-CG2 3.39Å; E144-T322 CarbonylContact O-C 3.52Å; E144-T322 VanDerWaalsContact O-CA 3.3Å; E144-T322 WeakPolarHBondContact O-CA 3.43Å; N145-T322 CarbonylContact C-O 3.51Å; F146-T322 HydrophobicContact CB-CG2 4.27Å; G147-T322 VanDerWaalsContact CA-O 3.25Å; G147-T322 WeakPolarHBondContact CA-O 3.47Å; G147-T322 WeakPolarHBondContact CA-OG1 3.22Å; G147-T322 PolarHBondContact N-O 3.48Å; G147-T322 PolarHBondContact N-OG1 3.43Å; D148-T322 PolarHBondContact N-O 3.46Å; L319-T322 PolarHBondContact O-N 3.04Å; L319-T322 VanDerWaalsContact O-N 3.09Å; L319-T322 PolarHBondContact O-OG1 3.27Å; L320-T322 PolarHBondContact O-N 3.16Å; L320-T322 VanDerWaalsContact O-N 3.17Å
323V92.7Very high87.8Confident0 Ų053 Ų530%030%0.298CS..  trans-110.7135.1177.4-177.60000108.8M1 L9 I151 L320 P330M1-V323 HydrophobicContact CE-CB 4.41Å; M1-V323 HydrophobicContact CE-CG1 3.73Å; M1-V323 HydrophobicContact CE-CG2 4.25Å; M1-V323 HydrophobicContact SD-CG1 4.5Å; L9-V323 HydrophobicContact CD1-CG2 3.69Å; L9-V323 HydrophobicContact CD2-CG2 4.44Å; I151-V323 HydrophobicContact CD1-CG1 3.93Å; I151-V323 HydrophobicContact CD1-CG2 4.23Å; L320-V323 PolarHBondContact O-N 3.35Å; V323-P330 WeakPolarHBondContact O-CD 3.44Å
324H86.4Confident87.9Confident44 Ų4452.9 Ų52.920%0.20430%0.298CS..  trans-112.7138.3173.2-64.989.6000112.2E144 D148E144-H324 PolarHBondContact O-CE1 3.5Å; E144-H324 PolarHBondContact O-ND1 2.82Å; D148-H324 PolarHBondContact OD1-N 2.75Å; D148-H324 WeakPolarHBondContact OD2-CB 3.47Å; D148-H324 IonicContact OD2-CG 3.88Å; D148-H324 PolarHBondContact OD2-N 3.41Å; D148-H324 IonicContact OD2-ND1 3.45Å; D148-H324 PolarHBondContact OD2-ND1 3.18Å
325N70.9Confident88.1Confident51 Ų5152 Ų5227%0.27329%0.29SS..BIsolated β-bridgetrans-111.5106.8163.6-78.9-36.8000108.5K5 G327 E328K5-N325 PolarHBondContact NZ-OD1 3.45Å; N325-G327 PolarHBondContact O-N 2.97Å; N325-G327 VanDerWaalsContact O-N 3.08Å; N325-E328 PolarHBondContact N-O 3.43Å; N325-E328 PolarHBondContact O-N 3.16Å
326A73.3Confident88.3Confident119 Ų11953.3 Ų53.398%0.98330%0.297SS*.THydrogen-bonded Turntrans52.133.9176.800000114.2
327G72.1Confident88.5Confident64 Ų6453.9 Ų53.966%0.6630%0.301SS*.THydrogen-bonded Turntrans95.2-4.118000000115.4N325N325-G327 PolarHBondContact O-N 2.97Å; N325-G327 VanDerWaalsContact O-N 3.08Å
328E76.6Confident88.6Confident152 Ų15255.9 Ų55.971%0.7132%0.316SS*.BIsolated β-bridgetrans-110.7138.5176.5-65-175.9177.300111.8N325N325-E328 PolarHBondContact N-O 3.43Å; N325-E328 PolarHBondContact O-N 3.16Å
329I76.1Confident88.9Confident96 Ų9654.4 Ų54.449%0.49231%0.311SS..  trans-77.2120.4172.6-61.3168.1000107.7H331I329-H331 PolarHBondContact O-N 3.37Å
330P79.1Confident89.1Confident23 Ų2355 Ų5515%0.14931%0.314CS..  trans-66.4133.3178.227.2-29.9000110.3M1 V323 V332M1-P330 HydrophobicContact CB-CB 4.06Å; M1-P330 HydrophobicContact CB-CG 4.4Å; M1-P330 HydrophobicContact CG-CG 4.44Å; M1-P330 HydrophobicContact SD-CG 3.95Å; V323-P330 WeakPolarHBondContact O-CD 3.44Å; P330-V332 PolarHBondContact O-N 3.04Å
331H87.7Confident89.1Confident149 Ų14959.7 Ų59.769%0.6934%0.336SS*.  trans-84.1104.3171.9-176.4-72.1000109.9I329I329-H331 PolarHBondContact O-N 3.37Å
332V95.8Very high89.1Confident18 Ų1859 Ų5911%0.10933%0.327CS..  trans-114.5117.6171.5-178.90000109M1 D38 I40 L320 P330M1-V332 HydrophobicContact CB-CG2 3.7Å; M1-V332 HydrophobicContact SD-CG2 4.46Å; D38-V332 WeakPolarHBondContact O-CA 3.41Å; I40-V332 HydrophobicContact CD1-CG1 3.68Å; I40-V332 HydrophobicContact CG1-CG1 3.7Å; L320-V332 HydrophobicContact CD1-CB 4.19Å; L320-V332 HydrophobicContact CD1-CG1 4.22Å; P330-V332 PolarHBondContact O-N 3.04Å
333E97.6Very high89Confident72 Ų7264.4 Ų64.434%0.33636%0.362SS..EExtended strand (participates in β ladder)trans-82.5136.2178.3-167.4176.1-168.700110.4D38 R39 I40 L335D38-E333 PolarHBondContact O-N 3.42Å; R39-E333 CarbonylContact C-O 3.19Å; R39-E333 WeakPolarHBondContact CA-O 3.36Å; R39-E333 HydrophobicContact CG-CB 4.07Å; R39-E333 IonicContact CZ-OE2 3.52Å; R39-E333 IonicContact NE-OE2 3.42Å; R39-E333 PolarHBondContact NE-OE2 3.46Å; R39-E333 IonicContact NH2-OE2 3.54Å; I40-E333 PolarHBondContact N-O 3.25Å; E333-L335 HydrophobicContact CG-CD2 3.96Å; E333-L335 HydrophobicContact CG-CG 4.27Å
334L98.3Very high88.7Confident13 Ų1366.7 Ų66.77%0.06839%0.385CS..EExtended strand (participates in β ladder)trans-108.3118.7174.5-57.1-175.4000109.1I40 I42 I313 F316 R317 L320I40-L334 HydrophobicContact CB-CD2 3.72Å; I40-L334 HydrophobicContact CD1-CD2 3.84Å; I40-L334 HydrophobicContact CG1-CD2 4.17Å; I40-L334 HydrophobicContact CG2-CD2 4.34Å; I40-L334 WeakPolarHBondContact O-CA 3.48Å; I42-L334 HydrophobicContact CD1-CB 4.09Å; I42-L334 HydrophobicContact CD1-CD2 4.47Å; I313-L334 HydrophobicContact CG2-CB 4.4Å; I313-L334 HydrophobicContact CG2-CD1 4.32Å; F316-L334 HydrophobicContact CB-CD1 4.32Å; F316-L334 HydrophobicContact CD1-CD1 4.16Å; F316-L334 HydrophobicContact CD1-CD2 4.16Å; R317-L334 HydrophobicContact CB-CD1 3.98Å; L320-L334 HydrophobicContact CD1-CD1 4.4Å; L320-L334 HydrophobicContact CD1-CD2 3.92Å; L320-L334 HydrophobicContact CD1-CG 4.36Å
335L98.2Very high88.6Confident31 Ų3173 Ų7316%0.16241%0.413CS..EExtended strand (participates in β ladder)trans-113.9132.8-179-60.2177.1000109.6I40 F41 I42 Q57 E333I40-L335 PolarHBondContact O-N 2.92Å; F41-L335 CarbonylContact C-O 3.55Å; F41-L335 WeakPolarHBondContact CA-O 3.3Å; F41-L335 HydrophobicContact CD2-CB 3.99Å; I42-L335 WeakPolarHBondContact CB-O 3.25Å; I42-L335 PolarHBondContact N-O 3.26Å; Q57-L335 HydrophobicContact CB-CD1 3.83Å; Q57-L335 HydrophobicContact CG-CD1 4.18Å; E333-L335 HydrophobicContact CG-CD2 3.96Å; E333-L335 HydrophobicContact CG-CG 4.27Å
336L98.3Very high89.3Confident53 Ų5375.2 Ų75.228%0.27743%0.428SS..EExtended strand (participates in β ladder)trans-97.1137.8172.8-173.665.7000108.8I42 F308 K309 I313I42-L336 HydrophobicContact CB-CD1 4.24Å; I42-L336 HydrophobicContact CG2-CD1 3.97Å; F308-L336 HydrophobicContact CB-CD1 3.96Å; K309-L336 HydrophobicContact CB-CD2 3.87Å; K309-L336 HydrophobicContact CD-CD2 4.49Å; K309-L336 HydrophobicContact CG-CD2 4.31Å; I313-L336 HydrophobicContact CD1-CB 3.9Å; I313-L336 HydrophobicContact CD1-CD1 4.24Å; I313-L336 HydrophobicContact CD1-CG 4.48Å
337S98.4Very high89.7Confident11 Ų1178.5 Ų78.58%0.07744%0.435CS..  trans-64.3132.5176.2-176.80000111.7I42 E53 A339 D340I42-S337 PolarHBondContact O-N 3.2Å; E53-S337 WeakPolarHBondContact OE2-CA 3.23Å; E53-S337 WeakPolarHBondContact OE2-CB 3.29Å; E53-S337 PolarHBondContact OE2-OG 3.05Å; S337-A339 PolarHBondContact OG-N 3.43Å; S337-D340 PolarHBondContact OG-N 3.4Å
338E97.2Very high90.6Very high165 Ų16579.2 Ų79.277%0.77142%0.423SS*.SBendtrans-93.6-19.8167.9-61.3-65.3154.500111.3E53E53-E338 PolarHBondContact OE1-N 3.15Å; E53-E338 PolarHBondContact OE2-N 3.18Å
339A97Very high91.3Very high14 Ų1475.4 Ų75.412%0.11641%0.408CS..SBendtrans-77.5-18.2175.100000113.5Q49 V50 E53 S337 H341Q49-A339 HydrophobicContact CG-CB 4.12Å; V50-A339 HydrophobicContact CG2-CB 4.09Å; E53-A339 HydrophobicContact CB-CB 4.38Å; E53-A339 WeakPolarHBondContact OE2-CB 3.48Å; E53-A339 PolarHBondContact OE2-N 3.04Å; S337-A339 PolarHBondContact OG-N 3.43Å; A339-H341 PolarHBondContact O-CE1 2.91Å; A339-H341 PolarHBondContact O-ND1 3.46Å
340D97.2Very high92.2Very high13 Ų1374.2 Ų74.27%0.0740%0.404CS..  trans-75.2125.4-178.5-177.328.6000112.9T43 N44 V50 R305 S337T43-D340 VanDerWaalsContact OG1-CB 3.31Å; T43-D340 WeakPolarHBondContact OG1-CB 3.43Å; T43-D340 PolarHBondContact OG1-OD2 2.74Å; N44-D340 WeakPolarHBondContact CA-OD2 3.46Å; N44-D340 WeakPolarHBondContact CB-OD2 3.41Å; N44-D340 PolarHBondContact N-OD2 2.77Å; V50-D340 HydrophobicContact CG2-CB 3.97Å; R305-D340 WeakPolarHBondContact CD-OD2 3.3Å; R305-D340 PolarHBondContact NH1-O 2.68Å; S337-D340 PolarHBondContact OG-N 3.4Å
341H94.1Very high92.9Very high107 Ų10777.2 Ų77.250%0.49542%0.419SS..  trans-153.8156.6-176.759.4-77.2000112.7A339A339-H341 PolarHBondContact O-CE1 2.91Å; A339-H341 PolarHBondContact O-ND1 3.46Å
342E91.9Very high93.3Very high39 Ų3972.8 Ų72.818%0.18240%0.402CS..  trans-52.2136.7171.2-169.376.5-14200109.9H300 S301 V302 G344H300-E342 WeakPolarHBondContact CB-OE1 3.33Å; H300-E342 PolarHBondContact N-OE1 3.23Å; H300-E342 PolarHBondContact N-OE2 2.72Å; S301-E342 WeakPolarHBondContact CA-OE2 3.43Å; S301-E342 VanDerWaalsContact CB-OE2 3.3Å; S301-E342 WeakPolarHBondContact CB-OE2 3.4Å; S301-E342 PolarHBondContact N-OE2 3.14Å; S301-E342 WeakPolarHBondContact OG-CA 3.49Å; S301-E342 WeakPolarHBondContact OG-CB 3.16Å; S301-E342 PolarHBondContact OG-N 3.18Å; S301-E342 PolarHBondContact OG-OE2 3.29Å; V302-E342 PolarHBondContact N-OE2 2.84Å; E342-G344 PolarHBondContact O-N 2.87Å
343P90Very high93.1Very high118 Ų11876.4 Ų76.477%0.76642%0.421SS*.SBendtrans-71.672.1175.430.3-35.6000110.9
344G87.2Confident92.8Very high48 Ų4876.7 Ų76.750%0.49543%0.427SS..  trans137.6165.6-178.400000112.8E342E342-G344 PolarHBondContact O-N 2.87Å
345F84.1Confident92.3Very high178 Ų17881.6 Ų81.678%0.78146%0.455SS*.  trans-145.3151.6173.460.7-81.3000110.1V347F345-V347 HydrophobicContact CD2-CG1 3.7Å; F345-V347 HydrophobicContact CE2-CG1 3.29Å; F345-V347 HydrophobicContact CZ-CG1 4.24Å
346V84.8Confident91.8Very high97 Ų9785.8 Ų85.859%0.58848%0.479SS*.  trans-89.1124.9174.3177.60000108.1H234H234-V346 WeakPolarHBondContact CE1-CB 3.31Å; H234-V346 VanDerWaalsContact NE2-CB 3.3Å; H234-V346 WeakPolarHBondContact NE2-CB 3.39Å; H234-V346 WeakPolarHBondContact NE2-CG2 3.4Å
347V81.8Confident91.3Very high187 Ų18788.8 Ų88.8100%1.13350%0.498SS*.  trans-89.80179.8-74.10000113F345F345-V347 HydrophobicContact CD2-CG1 3.7Å; F345-V347 HydrophobicContact CE2-CG1 3.29Å; F345-V347 HydrophobicContact CZ-CG1 4.24Å

Retrieved 347 of 347 residues in 173.2 ms (Link to these results)

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