A0A077ZGG8_TRITR Loading...

Asp-Al Ex domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M71.1Confident90Very high188 Ų18852.8 Ų52.893%0.92629%0.286SS*.  0-60.60-79.2-174.369.700113.2V3 T4 I5M1-V3 VanDerWaalsContact C-N 3.35Å; M1-V3 PolarHBondContact O-N 3.49Å; M1-T4 WeakPolarHBondContact O-CA 3.26Å; M1-T4 VanDerWaalsContact O-CB 3.31Å; M1-T4 WeakPolarHBondContact O-CB 3.42Å; M1-T4 PolarHBondContact O-N 3.22Å; M1-I5 PolarHBondContact O-N 3.38Å
2G85.1Confident90.4Very high38 Ų3849.3 Ų49.339%0.39227%0.268SS..Hα-helixtrans-53.3-46.9-176.500000114T4 I5 F6G2-T4 PolarHBondContact O-N 3.33Å; G2-I5 PolarHBondContact O-N 3.04Å; G2-F6 PolarHBondContact O-N 2.86Å
3V88.5Confident90.8Very high14 Ų1453.6 Ų53.69%0.08530%0.296CS..Hα-helixtrans-66.3-36176.4-173.50000112.7M1 F6 L7 S308 H312 I340M1-V3 VanDerWaalsContact C-N 3.35Å; M1-V3 PolarHBondContact O-N 3.49Å; V3-F6 WeakPolarHBondContact O-CB 3.4Å; V3-F6 PolarHBondContact O-N 3.47Å; V3-L7 HydrophobicContact CG1-CD1 3.92Å; V3-L7 HydrophobicContact CG1-CG 4.08Å; V3-L7 WeakPolarHBondContact O-CG 3.16Å; V3-L7 PolarHBondContact O-N 3.1Å; V3-S308 WeakPolarHBondContact CG2-O 3.41Å; V3-H312 HydrophobicContact CG1-CB 4.47Å; V3-I340 HydrophobicContact CB-CD1 3.64Å; V3-I340 HydrophobicContact CG1-CD1 3.28Å; V3-I340 HydrophobicContact CG2-CD1 4.32Å
4T90.2Very high91.1Very high24 Ų2454.5 Ų54.515%0.14730%0.3CS..Hα-helixtrans-60.8-45.8174.6-54.50000111.6M1 G2 F6 L7 K8 A343 A346M1-T4 WeakPolarHBondContact O-CA 3.26Å; M1-T4 VanDerWaalsContact O-CB 3.31Å; M1-T4 WeakPolarHBondContact O-CB 3.42Å; M1-T4 PolarHBondContact O-N 3.22Å; G2-T4 PolarHBondContact O-N 3.33Å; T4-F6 VanDerWaalsContact C-N 3.32Å; T4-L7 PolarHBondContact O-N 3.2Å; T4-K8 VanDerWaalsContact O-CB 3.25Å; T4-K8 WeakPolarHBondContact O-CB 3.46Å; T4-K8 PolarHBondContact O-N 3.49Å; T4-A343 HydrophobicContact CG2-CB 4.16Å; T4-A346 HydrophobicContact CG2-CB 4.09Å
5I90.7Very high91.3Very high85 Ų8551.7 Ų51.744%0.43628%0.284SS..Hα-helixtrans-62.7-43.1175.2-64.6169.4000110M1 G2 N9M1-I5 PolarHBondContact O-N 3.38Å; G2-I5 PolarHBondContact O-N 3.04Å; I5-N9 WeakPolarHBondContact O-CB 3.38Å; I5-N9 PolarHBondContact O-N 2.89Å
6F94.2Very high91.5Very high6 Ų662.8 Ų62.83%0.02632%0.32CS..Iπ-helixtrans-58.9-54.6176.9172.4-101.6000111.9G2 V3 T4 K8 I10 A11 L14 I309 H312 V313 L316G2-F6 PolarHBondContact O-N 2.86Å; V3-F6 WeakPolarHBondContact O-CB 3.4Å; V3-F6 PolarHBondContact O-N 3.47Å; T4-F6 VanDerWaalsContact C-N 3.32Å; F6-K8 PolarHBondContact O-N 3.16Å; F6-I10 HydrophobicContact CD2-CB 3.75Å; F6-I10 HydrophobicContact CD2-CD1 4.26Å; F6-I10 HydrophobicContact CD2-CG2 3.78Å; F6-I10 HydrophobicContact CE2-CB 4.22Å; F6-I10 HydrophobicContact CE2-CG2 3.84Å; F6-I10 CarbonylContact O-C 3.53Å; F6-I10 WeakPolarHBondContact O-CA 3.38Å; F6-I10 WeakPolarHBondContact O-CB 3.33Å; F6-I10 PolarHBondContact O-N 3.43Å; F6-A11 HydrophobicContact CE1-CB 4.37Å; F6-A11 HydrophobicContact CZ-CB 4.45Å; F6-A11 PolarHBondContact O-N 3.39Å; F6-L14 HydrophobicContact CE2-CD1 3.84Å; F6-L14 HydrophobicContact CZ-CD1 4.21Å; F6-I309 HydrophobicContact CD2-CG2 4.25Å; F6-I309 HydrophobicContact CG-CG2 4.39Å; F6-H312 HydrophobicContact CD1-CB 4.04Å; F6-H312 HydrophobicContact CE1-CB 3.81Å; F6-V313 HydrophobicContact CD2-CG2 4.35Å; F6-V313 HydrophobicContact CE1-CG2 4.26Å; F6-V313 HydrophobicContact CE2-CG2 3.52Å; F6-V313 HydrophobicContact CZ-CB 4.24Å; F6-V313 HydrophobicContact CZ-CG2 3.47Å; F6-V313 VanDerWaalsContact CZ-CG2 3.47Å; F6-L316 HydrophobicContact CE1-CD2 4.46Å; F6-L316 HydrophobicContact CZ-CD2 3.89Å
7L94.2Very high91.5Very high0 Ų061.6 Ų61.60%032%0.317CS..Iπ-helixtrans-67-37-176.9-66.7177.7000112.7V3 T4 L334 T335 A343V3-L7 HydrophobicContact CG1-CD1 3.92Å; V3-L7 HydrophobicContact CG1-CG 4.08Å; V3-L7 WeakPolarHBondContact O-CG 3.16Å; V3-L7 PolarHBondContact O-N 3.1Å; T4-L7 PolarHBondContact O-N 3.2Å; L7-L334 HydrophobicContact CD1-CB 4.35Å; L7-L334 HydrophobicContact CD2-CB 3.79Å; L7-L334 HydrophobicContact CD2-CD2 3.61Å; L7-L334 HydrophobicContact CD2-CG 4.32Å; L7-T335 HydrophobicContact CD1-CG2 3.75Å; L7-A343 HydrophobicContact CD1-CB 4.04Å
8K92.6Very high91.7Very high60 Ų6062.8 Ų62.826%0.26132%0.324SS..Iπ-helixtrans-73.2-49.2178.5-172.1-166.3170.2167.50112.3T4 F6 P12 A346 V347 E350T4-K8 VanDerWaalsContact O-CB 3.25Å; T4-K8 WeakPolarHBondContact O-CB 3.46Å; T4-K8 PolarHBondContact O-N 3.49Å; F6-K8 PolarHBondContact O-N 3.16Å; K8-P12 WeakPolarHBondContact O-CG 3.46Å; K8-A346 HydrophobicContact CD-CB 4.14Å; K8-V347 HydrophobicContact CB-CG1 4.27Å; K8-V347 HydrophobicContact CG-CG1 4.39Å; K8-E350 WeakPolarHBondContact CE-OE2 3.5Å; K8-E350 IonicContact NZ-OE2 2.81Å; K8-E350 PolarHBondContact NZ-OE2 3.33Å
9N92.7Very high91.7Very high85 Ų8560.3 Ų60.346%0.45531%0.311SS..Iπ-helixtrans-107.2-37.8-164.9-61.3-16.6000113.2I5 V13I5-N9 WeakPolarHBondContact O-CB 3.38Å; I5-N9 PolarHBondContact O-N 2.89Å; N9-V13 VanDerWaalsContact O-CG2 3.29Å; N9-V13 WeakPolarHBondContact O-CG2 3.34Å
10I95.1Very high91.7Very high81 Ų8162.7 Ų62.742%0.41532%0.319SS..Iπ-helixtrans-92.7-43.4-171.2-58.1177.3000111F6 V13 L14F6-I10 HydrophobicContact CD2-CB 3.75Å; F6-I10 HydrophobicContact CD2-CD1 4.26Å; F6-I10 HydrophobicContact CD2-CG2 3.78Å; F6-I10 HydrophobicContact CE2-CB 4.22Å; F6-I10 HydrophobicContact CE2-CG2 3.84Å; F6-I10 CarbonylContact O-C 3.53Å; F6-I10 WeakPolarHBondContact O-CA 3.38Å; F6-I10 WeakPolarHBondContact O-CB 3.33Å; F6-I10 PolarHBondContact O-N 3.43Å; I10-V13 WeakPolarHBondContact O-CB 3.44Å; I10-V13 PolarHBondContact O-N 3.39Å; I10-V13 VanDerWaalsContact O-N 3.13Å; I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.01Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.29Å
11A95.5Very high91.8Very high0 Ų063.8 Ų63.80%033%0.326CS..Hα-helixtrans-57.8-44.6-178.600000112.7F6 V13 L14 L15 L316 I331F6-A11 HydrophobicContact CE1-CB 4.37Å; F6-A11 HydrophobicContact CZ-CB 4.45Å; F6-A11 PolarHBondContact O-N 3.39Å; A11-V13 VanDerWaalsContact C-N 3.3Å; A11-V13 PolarHBondContact O-N 2.9Å; A11-L14 PolarHBondContact O-N 2.92Å; A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.18Å; A11-L316 HydrophobicContact CB-CD1 3.93Å; A11-L316 HydrophobicContact CB-CD2 3.75Å; A11-I331 HydrophobicContact CB-CD1 4.42Å; A11-I331 HydrophobicContact CB-CG1 4.35Å
12P95.3Very high92.8Very high11 Ų1157.1 Ų57.17%0.07129%0.292CS..Hα-helixtrans-62.5-37.3176.4-2436.7000113K8 L15 R16 V17 L19 I331K8-P12 WeakPolarHBondContact O-CG 3.46Å; P12-L15 CarbonylContact O-C 3.54Å; P12-L15 PolarHBondContact O-N 3.32Å; P12-R16 PolarHBondContact O-N 3.45Å; P12-V17 HydrophobicContact CB-CG2 4.32Å; P12-V17 PolarHBondContact O-N 2.79Å; P12-L19 HydrophobicContact CB-CD1 4.27Å; P12-L19 HydrophobicContact CB-CD2 4.04Å; P12-L19 HydrophobicContact CB-CG 3.83Å; P12-L19 HydrophobicContact CG-CD1 3.51Å; P12-L19 HydrophobicContact CG-CD2 3.92Å; P12-L19 HydrophobicContact CG-CG 3.63Å; P12-I331 HydrophobicContact CG-CD1 3.92Å
13V95.2Very high93.1Very high105 Ų10555.7 Ų55.764%0.63628%0.276SS*.Hα-helixtrans-65.8-44.8176.4175.90000110.8N9 I10 A11 L15 R16N9-V13 VanDerWaalsContact O-CG2 3.29Å; N9-V13 WeakPolarHBondContact O-CG2 3.34Å; I10-V13 WeakPolarHBondContact O-CB 3.44Å; I10-V13 PolarHBondContact O-N 3.39Å; I10-V13 VanDerWaalsContact O-N 3.13Å; A11-V13 VanDerWaalsContact C-N 3.3Å; A11-V13 PolarHBondContact O-N 2.9Å; V13-L15 VanDerWaalsContact C-N 3.28Å; V13-L15 PolarHBondContact O-N 3.04Å; V13-R16 PolarHBondContact O-N 3.22Å
14L94.8Very high93Very high66 Ų6661.2 Ų61.235%0.34630%0.299SS..Hα-helixtrans-63.9-34.1174.5-68.3178.1000112.2F6 I10 A11 R16 L316 F317F6-L14 HydrophobicContact CE2-CD1 3.84Å; F6-L14 HydrophobicContact CZ-CD1 4.21Å; I10-L14 HydrophobicContact CG2-CD1 3.87Å; I10-L14 HydrophobicContact CG2-CG 4.01Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.29Å; A11-L14 PolarHBondContact O-N 2.92Å; L14-R16 VanDerWaalsContact C-N 3.27Å; L14-L316 HydrophobicContact CB-CD2 4.19Å; L14-L316 HydrophobicContact CD1-CD2 4.04Å; L14-F317 HydrophobicContact CB-CZ 4.22Å; L14-F317 HydrophobicContact CD1-CE2 4.46Å; L14-F317 HydrophobicContact CD1-CZ 4.17Å; L14-F317 HydrophobicContact CD2-CZ 4.37Å; L14-F317 HydrophobicContact CG-CZ 4.5Å
15L94.5Very high92.9Very high12 Ų1265.6 Ų65.66%0.06332%0.316CS..Hα-helixtrans-75.1-18.7174.5-68.1-176.2000112.8A11 P12 V13 V17 L316 K320 A327 I331A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.18Å; P12-L15 CarbonylContact O-C 3.54Å; P12-L15 PolarHBondContact O-N 3.32Å; V13-L15 VanDerWaalsContact C-N 3.28Å; V13-L15 PolarHBondContact O-N 3.04Å; L15-V17 HydrophobicContact CB-CG1 4.31Å; L15-V17 HydrophobicContact CB-CG2 3.77Å; L15-L316 HydrophobicContact CD1-CD1 3.96Å; L15-L316 HydrophobicContact CD2-CD1 4.15Å; L15-L316 HydrophobicContact CD2-CG 4.2Å; L15-L316 HydrophobicContact CG-CD1 4.09Å; L15-L316 HydrophobicContact CG-CG 4.46Å; L15-K320 HydrophobicContact CD2-CB 4.11Å; L15-K320 HydrophobicContact CD2-CD 3.5Å; L15-K320 VanDerWaalsContact CD2-CD 3.5Å; L15-K320 HydrophobicContact CD2-CG 3.97Å; L15-K320 PolarHBondContact O-NZ 2.76Å; L15-A327 HydrophobicContact CD1-CB 4.1Å; L15-I331 HydrophobicContact CD1-CD1 4.23Å; L15-I331 HydrophobicContact CD1-CG1 4.34Å
16R93.8Very high92.6Very high229 Ų22962.9 Ų62.986%0.86430%0.302SS*.THydrogen-bonded Turntrans60.846.3-173.2-57.7-176.9-179.8174.9-1112.8P12 V13 L14P12-R16 PolarHBondContact O-N 3.45Å; V13-R16 PolarHBondContact O-N 3.22Å; L14-R16 VanDerWaalsContact C-N 3.27Å
17V92.8Very high91.8Very high43 Ų4364.4 Ų64.426%0.26131%0.311SS..  trans-130.1147.4-176.5-62.20000111.4P12 L15 L19 E22 A327P12-V17 HydrophobicContact CB-CG2 4.32Å; P12-V17 PolarHBondContact O-N 2.79Å; L15-V17 HydrophobicContact CB-CG1 4.31Å; L15-V17 HydrophobicContact CB-CG2 3.77Å; V17-L19 HydrophobicContact CG2-CD2 4.29Å; V17-E22 HydrophobicContact CB-CG 4.03Å; V17-E22 HydrophobicContact CG1-CG 4.4Å; V17-A327 HydrophobicContact CB-CB 4.32Å; V17-A327 HydrophobicContact CG1-CB 4.3Å; V17-A327 HydrophobicContact CG2-CB 3.68Å
18N94.2Very high91.1Very high84 Ų8470.2 Ų70.245%0.44934%0.338SS..  trans-90.9115.9165.8-177.4-24.5000108.6K20 D21 E22N18-K20 VanDerWaalsContact C-N 3.26Å; N18-K20 PolarHBondContact O-N 3.18Å; N18-K20 WeakPolarHBondContact OD1-CB 3.41Å; N18-K20 PolarHBondContact OD1-N 3.21Å; N18-D21 HydrophobicContact CB-CB 4.2Å; N18-D21 VanDerWaalsContact CB-OD2 3.31Å; N18-D21 WeakPolarHBondContact CB-OD2 3.46Å; N18-D21 PolarHBondContact ND2-OD2 3.39Å; N18-D21 PolarHBondContact O-N 3.36Å; N18-E22 WeakPolarHBondContact O-CG 3.31Å; N18-E22 PolarHBondContact O-N 3.43Å
19L92Very high90.4Very high14 Ų1471.5 Ų71.57%0.07336%0.355CS..Hα-helixtrans-61.8-31.8-177.2-67.9-172.8000113.4P12 V17 T23 I331 T351 F356P12-L19 HydrophobicContact CB-CD1 4.27Å; P12-L19 HydrophobicContact CB-CD2 4.04Å; P12-L19 HydrophobicContact CB-CG 3.83Å; P12-L19 HydrophobicContact CG-CD1 3.51Å; P12-L19 HydrophobicContact CG-CD2 3.92Å; P12-L19 HydrophobicContact CG-CG 3.63Å; V17-L19 HydrophobicContact CG2-CD2 4.29Å; L19-T23 WeakPolarHBondContact O-CB 3.42Å; L19-T23 PolarHBondContact O-N 3.01Å; L19-T23 PolarHBondContact O-OG1 2.81Å; L19-I331 HydrophobicContact CD1-CD1 4.37Å; L19-I331 HydrophobicContact CD2-CD1 3.59Å; L19-T351 HydrophobicContact CB-CG2 3.71Å; L19-F356 HydrophobicContact CD1-CZ 4.45Å; L19-F356 HydrophobicContact CD2-CZ 4.49Å
20K91.5Very high89.4Confident108 Ų10871.1 Ų71.147%0.4735%0.353SS..Hα-helixtrans-67.1-43.3178.9-69.5-179.2176.7172.60110.9N18 T23 K24 E350 T351N18-K20 VanDerWaalsContact C-N 3.26Å; N18-K20 PolarHBondContact O-N 3.18Å; N18-K20 WeakPolarHBondContact OD1-CB 3.41Å; N18-K20 PolarHBondContact OD1-N 3.21Å; K20-T23 PolarHBondContact O-N 3.32Å; K20-K24 WeakPolarHBondContact O-CB 3.22Å; K20-K24 PolarHBondContact O-N 2.72Å; K20-E350 WeakPolarHBondContact CE-O 3.45Å; K20-E350 IonicContact NZ-OE1 2.82Å; K20-T351 HydrophobicContact CG-CG2 4.48Å
21D93Very high87.9Confident86 Ų8673.6 Ų73.646%0.4637%0.366SS..Hα-helixtrans-68.2-44179.2-60.5-28.4000111.4N18 T23 K24 K25N18-D21 HydrophobicContact CB-CB 4.2Å; N18-D21 VanDerWaalsContact CB-OD2 3.31Å; N18-D21 WeakPolarHBondContact CB-OD2 3.46Å; N18-D21 PolarHBondContact ND2-OD2 3.39Å; N18-D21 PolarHBondContact O-N 3.36Å; D21-T23 VanDerWaalsContact C-N 3.35Å; D21-K24 PolarHBondContact O-N 3.29Å; D21-K25 WeakPolarHBondContact O-CG 3.37Å; D21-K25 PolarHBondContact O-N 3.21Å
22E92.9Very high85.9Confident49 Ų4978.1 Ų78.123%0.22939%0.39CS..Hα-helixtrans-66.9-36.3176.8-67.2-59124.200112.1V17 N18 K25 M26 A327 I328V17-E22 HydrophobicContact CB-CG 4.03Å; V17-E22 HydrophobicContact CG1-CG 4.4Å; N18-E22 WeakPolarHBondContact O-CG 3.31Å; N18-E22 PolarHBondContact O-N 3.43Å; E22-K25 IonicContact OE1-NZ 3.79Å; E22-K25 PolarHBondContact OE1-NZ 3.42Å; E22-M26 WeakPolarHBondContact O-CB 3.05Å; E22-M26 PolarHBondContact O-N 2.87Å; E22-A327 HydrophobicContact CG-CB 4.38Å; E22-I328 HydrophobicContact CB-CD1 4.06Å; E22-I328 HydrophobicContact CB-CG1 4.23Å
23T90.3Very high83.4Confident7 Ų779.8 Ų79.84%0.04341%0.409CS..Hα-helixtrans-61.7-47.9173.5-65.60000110.4L19 K20 D21 K25 M26 V27 I328 T351 V355L19-T23 WeakPolarHBondContact O-CB 3.42Å; L19-T23 PolarHBondContact O-N 3.01Å; L19-T23 PolarHBondContact O-OG1 2.81Å; K20-T23 PolarHBondContact O-N 3.32Å; D21-T23 VanDerWaalsContact C-N 3.35Å; T23-K25 PolarHBondContact O-N 3.43Å; T23-M26 PolarHBondContact O-N 2.84Å; T23-V27 HydrophobicContact CG2-CG2 4.23Å; T23-V27 WeakPolarHBondContact O-CB 3.33Å; T23-V27 VanDerWaalsContact O-CG2 3.27Å; T23-V27 WeakPolarHBondContact O-CG2 3.33Å; T23-V27 PolarHBondContact O-N 2.88Å; T23-I328 WeakPolarHBondContact OG1-CD1 3.33Å; T23-T351 WeakPolarHBondContact OG1-CG2 3.11Å; T23-V355 HydrophobicContact CG2-CG1 3.91Å
24K86.5Confident80.8Confident131 Ų13179 Ų7957%0.5741%0.408SS*.Hα-helixtrans-58.4-49.9178.9-178.6177.7172.9179.40111.4K20 D21 M26 V27 E28K20-K24 WeakPolarHBondContact O-CB 3.22Å; K20-K24 PolarHBondContact O-N 2.72Å; D21-K24 PolarHBondContact O-N 3.29Å; K24-M26 VanDerWaalsContact C-N 3.3Å; K24-M26 PolarHBondContact O-N 2.91Å; K24-V27 PolarHBondContact O-N 3.27Å; K24-E28 WeakPolarHBondContact CE-OE1 3.34Å; K24-E28 HydrophobicContact CG-CG 4.48Å; K24-E28 IonicContact NZ-OE1 3.6Å; K24-E28 WeakPolarHBondContact O-CB 3.17Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 3.45Å
25K88Confident78.1Confident115 Ų11578.2 Ų78.250%0.540%0.404SS..Hα-helixtrans-57.4-42.6176.9-68.7172.9-167.8167.90112.3D21 E22 T23 S29D21-K25 WeakPolarHBondContact O-CG 3.37Å; D21-K25 PolarHBondContact O-N 3.21Å; E22-K25 IonicContact OE1-NZ 3.79Å; E22-K25 PolarHBondContact OE1-NZ 3.42Å; T23-K25 PolarHBondContact O-N 3.43Å; K25-S29 WeakPolarHBondContact O-CB 3.02Å; K25-S29 PolarHBondContact O-N 3.37Å; K25-S29 PolarHBondContact O-OG 3.03Å
26M85.1Confident75.4Confident29 Ų2983.8 Ų83.814%0.14343%0.434CS..Hα-helixtrans-66.8-45.6179.5-172.663.3132.600111.6E22 T23 K24 E28 S29 L30 N326 I328 D329 V355E22-M26 WeakPolarHBondContact O-CB 3.05Å; E22-M26 PolarHBondContact O-N 2.87Å; T23-M26 PolarHBondContact O-N 2.84Å; K24-M26 VanDerWaalsContact C-N 3.3Å; K24-M26 PolarHBondContact O-N 2.91Å; M26-E28 VanDerWaalsContact C-N 3.34Å; M26-E28 PolarHBondContact O-N 3.14Å; M26-S29 WeakPolarHBondContact CA-OG 3.36Å; M26-S29 PolarHBondContact O-N 3.36Å; M26-S29 PolarHBondContact O-OG 3.28Å; M26-L30 HydrophobicContact CG-CD1 3.82Å; M26-L30 HydrophobicContact CG-CG 4.43Å; M26-L30 WeakPolarHBondContact O-CB 3.47Å; M26-L30 VanDerWaalsContact O-CG 3.3Å; M26-L30 WeakPolarHBondContact O-CG 3.34Å; M26-L30 PolarHBondContact O-N 2.83Å; M26-L30 HydrophobicContact SD-CD1 4.1Å; M26-L30 HydrophobicContact SD-CG 4.29Å; M26-N326 VanDerWaalsContact CE-ND2 3.33Å; M26-N326 WeakPolarHBondContact CE-ND2 3.18Å; M26-I328 HydrophobicContact CB-CG1 4.32Å; M26-D329 WeakPolarHBondContact CE-OD2 3.34Å; M26-V355 HydrophobicContact CB-CG2 4.42Å; M26-V355 HydrophobicContact CG-CG2 3.71Å
27V78.2Confident72.7Confident37 Ų3782.6 Ų82.622%0.22443%0.43CS..Hα-helixtrans-60.3-43.7177169.60000111.2T23 K24 L30 D31 I32 V355T23-V27 HydrophobicContact CG2-CG2 4.23Å; T23-V27 WeakPolarHBondContact O-CB 3.33Å; T23-V27 VanDerWaalsContact O-CG2 3.27Å; T23-V27 WeakPolarHBondContact O-CG2 3.33Å; T23-V27 PolarHBondContact O-N 2.88Å; K24-V27 PolarHBondContact O-N 3.27Å; V27-L30 PolarHBondContact O-N 2.95Å; V27-D31 PolarHBondContact O-N 2.88Å; V27-I32 HydrophobicContact CG1-CB 4.26Å; V27-I32 PolarHBondContact O-N 3.46Å; V27-V355 HydrophobicContact CG2-CB 4.37Å
28E78.6Confident70Confident122 Ų12283.8 Ų83.857%0.5744%0.435SS*.Hα-helixtrans-63.3-40.1174.6-72.4171.617300111.8K24 M26 L30 D31K24-E28 WeakPolarHBondContact CE-OE1 3.34Å; K24-E28 HydrophobicContact CG-CG 4.48Å; K24-E28 IonicContact NZ-OE1 3.6Å; K24-E28 WeakPolarHBondContact O-CB 3.17Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 3.45Å; M26-E28 VanDerWaalsContact C-N 3.34Å; M26-E28 PolarHBondContact O-N 3.14Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.42Å; E28-D31 PolarHBondContact O-N 2.98Å
29S78.5Confident67.1Low88 Ų8885.2 Ų85.262%0.61545%0.446SS*.Hα-helixtrans-71.6-26.5179.1750000114.3K25 M26 D31K25-S29 WeakPolarHBondContact O-CB 3.02Å; K25-S29 PolarHBondContact O-N 3.37Å; K25-S29 PolarHBondContact O-OG 3.03Å; M26-S29 WeakPolarHBondContact CA-OG 3.36Å; M26-S29 PolarHBondContact O-N 3.36Å; M26-S29 PolarHBondContact O-OG 3.28Å; S29-D31 VanDerWaalsContact C-N 3.33Å
30L72.1Confident64.4Low77 Ų7788.2 Ų88.240%0.40347%0.468SS..THydrogen-bonded Turntrans-89.9-0.6-179.5-69.3172.1000112.7M26 V27 E28 I32 V355 I358M26-L30 HydrophobicContact CG-CD1 3.82Å; M26-L30 HydrophobicContact CG-CG 4.43Å; M26-L30 WeakPolarHBondContact O-CB 3.47Å; M26-L30 VanDerWaalsContact O-CG 3.3Å; M26-L30 WeakPolarHBondContact O-CG 3.34Å; M26-L30 PolarHBondContact O-N 2.83Å; M26-L30 HydrophobicContact SD-CD1 4.1Å; M26-L30 HydrophobicContact SD-CG 4.29Å; V27-L30 PolarHBondContact O-N 2.95Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.42Å; L30-I32 HydrophobicContact CB-CD1 3.56Å; L30-I32 HydrophobicContact CB-CG1 3.66Å; L30-I32 HydrophobicContact CD1-CD1 3.65Å; L30-I32 HydrophobicContact CG-CD1 4.26Å; L30-I32 PolarHBondContact O-N 3.33Å; L30-V355 HydrophobicContact CD1-CG2 3.96Å; L30-I358 HydrophobicContact CD1-CD1 3.76Å
31D62.5Low61.8Low132 Ų13287.4 Ų87.471%0.70647%0.474SS*.THydrogen-bonded Turntrans50.837.5-174.4-151.425.7000112V27 E28 S29 G33V27-D31 PolarHBondContact O-N 2.88Å; E28-D31 PolarHBondContact O-N 2.98Å; S29-D31 VanDerWaalsContact C-N 3.33Å; D31-G33 PolarHBondContact O-N 2.9Å
32I53.2Low59.4Low96 Ų9686.5 Ų86.549%0.49247%0.469SS..  trans-793.2177.1-64.9171.2000110.6V27 L30 I358V27-I32 HydrophobicContact CG1-CB 4.26Å; V27-I32 PolarHBondContact O-N 3.46Å; L30-I32 HydrophobicContact CB-CD1 3.56Å; L30-I32 HydrophobicContact CB-CG1 3.66Å; L30-I32 HydrophobicContact CD1-CD1 3.65Å; L30-I32 HydrophobicContact CG-CD1 4.26Å; L30-I32 PolarHBondContact O-N 3.33Å; I32-I358 HydrophobicContact CD1-CD1 4.26Å
33G43.3Very low56.9Low46 Ų4691.1 Ų91.147%0.47449%0.494SS..SBendtrans-62136167.500000110.2D31 D35D31-G33 PolarHBondContact O-N 2.9Å; G33-D35 PolarHBondContact O-N 3.42Å
34S41.4Very low55.1Low89 Ų8993 Ų9362%0.62251%0.508SS*.  trans-57.299.1168.4480000109.3D36S34-D36 PolarHBondContact O-N 2.76Å
35D37.4Very low53.8Low49 Ų4992.6 Ų92.626%0.26251%0.512SS..  trans-74.781.6168.4-162.91.6000107.8G33 R37 N38 E169G33-D35 PolarHBondContact O-N 3.42Å; D35-R37 PolarHBondContact O-N 3.14Å; D35-R37 VanDerWaalsContact OD1-CB 3.3Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 WeakPolarHBondContact OD1-CG 3.25Å; D35-R37 IonicContact OD1-CZ 3.76Å; D35-R37 PolarHBondContact OD1-N 3.44Å; D35-R37 IonicContact OD1-NE 3.36Å; D35-R37 PolarHBondContact OD1-NE 3.08Å; D35-R37 IonicContact OD1-NH2 3.58Å; D35-R37 PolarHBondContact OD1-NH2 2.83Å; D35-R37 IonicContact OD2-CZ 3.85Å; D35-R37 IonicContact OD2-NE 3.68Å; D35-R37 IonicContact OD2-NH2 3.91Å; D35-R37 PolarHBondContact OD2-NH2 3.38Å; D35-N38 PolarHBondContact O-N 3.24Å; D35-E169 VanDerWaalsContact O-OE2 3.12Å
36D37.5Very low52.6Low128 Ų12888.6 Ų88.668%0.68450%0.495SS*.G310 helixtrans-58.42.3175.6-82.9-25.5000113.3S34 N38S34-D36 PolarHBondContact O-N 2.76Å; D36-N38 VanDerWaalsContact C-N 3.34Å
37R38.8Very low52.1Low204 Ų20488.2 Ų88.277%0.7750%0.496SS*.G310 helixtrans-80.1-8.7178.2-64.3-178.3-67.5177.44.2114.5D35D35-R37 PolarHBondContact O-N 3.14Å; D35-R37 VanDerWaalsContact OD1-CB 3.3Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 WeakPolarHBondContact OD1-CG 3.25Å; D35-R37 IonicContact OD1-CZ 3.76Å; D35-R37 PolarHBondContact OD1-N 3.44Å; D35-R37 IonicContact OD1-NE 3.36Å; D35-R37 PolarHBondContact OD1-NE 3.08Å; D35-R37 IonicContact OD1-NH2 3.58Å; D35-R37 PolarHBondContact OD1-NH2 2.83Å; D35-R37 IonicContact OD2-CZ 3.85Å; D35-R37 IonicContact OD2-NE 3.68Å; D35-R37 IonicContact OD2-NH2 3.91Å; D35-R37 PolarHBondContact OD2-NH2 3.38Å
38N34.9Very low52.2Low69 Ų6989.5 Ų89.537%0.36950%0.503SS..G310 helixtrans-104.332.7176.7-80.2-31.2000114D35 D36 S40 E169D35-N38 PolarHBondContact O-N 3.24Å; D36-N38 VanDerWaalsContact C-N 3.34Å; N38-S40 PolarHBondContact O-N 2.97Å; N38-E169 HydrophobicContact CB-CB 3.64Å
39V33.6Very low52.6Low114 Ų11488.4 Ų88.469%0.69149%0.494SS*.  trans-68.980.7154.2-170.90000106.7P41V39-P41 WeakPolarHBondContact O-CD 3.46Å
40S35.3Very low53.3Low76 Ų7684.6 Ų84.653%0.53147%0.468SS..  trans-58.2111.8164.2-117.80000105.3N38 L42N38-S40 PolarHBondContact O-N 2.97Å; S40-L42 PolarHBondContact O-N 3.32Å
41P36.6Very low54.4Low91 Ų9181 Ų8159%0.59145%0.449SS*.  trans-7096.4174.8-1.819.2000104.1V39 L43V39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-L43 HydrophobicContact CB-CB 4.4Å; P41-L43 HydrophobicContact CB-CD1 3.73Å; P41-L43 HydrophobicContact CB-CG 3.69Å; P41-L43 PolarHBondContact O-N 3.46Å
42L42.3Very low55.9Low67 Ų6777.9 Ų77.935%0.35143%0.43SS..  trans-68.760.7156.9-77.8162.7000106.7S40 S44 I152 L171S40-L42 PolarHBondContact O-N 3.32Å; L42-S44 PolarHBondContact O-N 2.87Å; L42-I152 HydrophobicContact CD2-CD1 3.59Å; L42-I152 HydrophobicContact CD2-CG1 3.59Å; L42-L171 HydrophobicContact CD1-CD1 4.2Å
43L41Very low57.9Low146 Ų14673.3 Ų73.376%0.76441%0.407SS*.  trans-71.983.2166.6-76.1168.2000105.1P41 N45P41-L43 HydrophobicContact CB-CB 4.4Å; P41-L43 HydrophobicContact CB-CD1 3.73Å; P41-L43 HydrophobicContact CB-CG 3.69Å; P41-L43 PolarHBondContact O-N 3.46Å; L43-N45 PolarHBondContact O-N 3.19Å
44S52Low60.4Low47 Ų4774.1 Ų74.133%0.32940%0.399SS..  trans-67.5120.5166.3152.90000107.3L42 M46L42-S44 PolarHBondContact O-N 2.87Å; S44-M46 PolarHBondContact O-N 3.39Å; S44-M46 VanDerWaalsContact O-N 3.13Å; S44-M46 WeakPolarHBondContact OG-CB 3.3Å; S44-M46 WeakPolarHBondContact OG-CG 3.38Å; S44-M46 PolarHBondContact OG-N 3.39Å; S44-M46 VanDerWaalsContact OG-N 3.09Å
45N58.9Low62.9Low123 Ų12375.2 Ų75.266%0.65840%0.395SS*.  trans-70.25.5169.2-71.9-12.7000112.1L43L43-N45 PolarHBondContact O-N 3.19Å
46M64.3Low65.4Low31 Ų3174.9 Ų74.915%0.15339%0.394CS..EExtended strand (participates in β ladder)trans-81.9139.6178.5-49.4-165.371.100109.9S44 L103 G104 E105 I152 N155S44-M46 PolarHBondContact O-N 3.39Å; S44-M46 VanDerWaalsContact O-N 3.13Å; S44-M46 WeakPolarHBondContact OG-CB 3.3Å; S44-M46 WeakPolarHBondContact OG-CG 3.38Å; S44-M46 PolarHBondContact OG-N 3.39Å; S44-M46 VanDerWaalsContact OG-N 3.09Å; M46-L103 HydrophobicContact CB-CD1 4.08Å; M46-G104 VanDerWaalsContact CA-O 3.26Å; M46-G104 WeakPolarHBondContact CA-O 3.39Å; M46-G104 VanDerWaalsContact CE-CA 3.49Å; M46-E105 HydrophobicContact CG-CG 4.16Å; M46-I152 VanDerWaalsContact SD-O 3.34Å; M46-N155 WeakPolarHBondContact CB-OD1 3.41Å; M46-N155 WeakPolarHBondContact CE-ND2 3.43Å; M46-N155 PolarHBondContact SD-ND2 3.26Å; M46-N155 PolarHBondContact SD-OD1 2.94Å
47S73.8Confident67.7Low21 Ų2170.8 Ų70.815%0.14738%0.375CS..EExtended strand (participates in β ladder)trans-133.4147.8178.169.60000110.5G104 L109S47-G104 PolarHBondContact N-O 3.22Å; S47-G104 PolarHBondContact O-N 3.15Å; S47-L109 WeakPolarHBondContact O-CD1 3.47Å; S47-L109 WeakPolarHBondContact OG-CD1 3.34Å
48T79.9Confident70.1Confident63 Ų6366.3 Ų66.339%0.38736%0.361SS..EExtended strand (participates in β ladder)trans-87.5127.6173.3570000108.6V102 L103 I130T48-V102 WeakPolarHBondContact CA-O 3.48Å; T48-L103 HydrophobicContact CG2-CD1 3.77Å; T48-I130 HydrophobicContact CG2-CD1 3.41Å; T48-I130 VanDerWaalsContact CG2-CD1 3.41Å
49R88.3Confident72.5Confident99 Ų9971.3 Ų71.337%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-130.9154174-64-58.1-165.9-104.7-7.2110.1F51 T101 V102 L109 E121R49-F51 HydrophobicContact CB-CD2 4.44Å; R49-F51 HydrophobicContact CB-CE2 3.62Å; R49-F51 HydrophobicContact CB-CZ 3.97Å; R49-T101 CarbonylContact O-C 3.51Å; R49-T101 WeakPolarHBondContact O-CA 3.23Å; R49-V102 PolarHBondContact N-O 3.33Å; R49-V102 PolarHBondContact O-N 2.89Å; R49-L109 HydrophobicContact CB-CD1 4.23Å; R49-L109 HydrophobicContact CG-CD1 3.56Å; R49-E121 WeakPolarHBondContact CD-OE1 3.45Å; R49-E121 IonicContact NE-OE1 2.89Å; R49-E121 PolarHBondContact NE-OE1 3.06Å
50S92.4Very high75Confident9 Ų970.9 Ų70.96%0.06338%0.376CS..EExtended strand (participates in β ladder)trans-118.2128.9-178.2-61.20000110.4L100 T101 E121 V122 Y127S50-L100 CarbonylContact C-O 3.48Å; S50-L100 VanDerWaalsContact CA-O 3.28Å; S50-L100 WeakPolarHBondContact CA-O 3.36Å; S50-T101 PolarHBondContact OG-OG1 3.05Å; S50-E121 CarbonylContact O-C 3.57Å; S50-E121 WeakPolarHBondContact O-CA 3.48Å; S50-V122 WeakPolarHBondContact O-CG2 3.32Å; S50-V122 PolarHBondContact O-N 3.05Å; S50-Y127 VanDerWaalsContact OG-CB 3.29Å; S50-Y127 WeakPolarHBondContact OG-CB 3.04Å
51F94.4Very high77.7Confident1 Ų167.4 Ų67.40%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-125123.3-175.6-64.7-83.2000111.2R49 V99 L100 V102 L109 V112 M113 K120 E121R49-F51 HydrophobicContact CB-CD2 4.44Å; R49-F51 HydrophobicContact CB-CE2 3.62Å; R49-F51 HydrophobicContact CB-CZ 3.97Å; F51-V99 CarbonylContact O-C 3.58Å; F51-V99 WeakPolarHBondContact O-CA 3.25Å; F51-L100 PolarHBondContact N-O 2.95Å; F51-L100 PolarHBondContact O-N 3.32Å; F51-V102 HydrophobicContact CD2-CG2 3.57Å; F51-V102 HydrophobicContact CE2-CG2 3.5Å; F51-L109 HydrophobicContact CE2-CD2 4.41Å; F51-V112 HydrophobicContact CD1-CG1 3.85Å; F51-V112 HydrophobicContact CD2-CG1 3.82Å; F51-V112 HydrophobicContact CE1-CB 4.24Å; F51-V112 HydrophobicContact CE1-CG1 3.9Å; F51-V112 HydrophobicContact CE2-CB 4.12Å; F51-V112 HydrophobicContact CE2-CG1 3.86Å; F51-V112 HydrophobicContact CG-CG1 3.81Å; F51-V112 HydrophobicContact CZ-CB 3.95Å; F51-V112 HydrophobicContact CZ-CG1 3.91Å; F51-M113 HydrophobicContact CE1-CG 3.65Å; F51-M113 HydrophobicContact CZ-CG 3.92Å; F51-K120 CarbonylContact C-O 3.5Å; F51-K120 WeakPolarHBondContact CA-O 3.22Å; F51-E121 HydrophobicContact CD1-CB 4.05Å; F51-E121 HydrophobicContact CE1-CB 3.86Å; F51-E121 HydrophobicContact CE1-CG 4.17Å
52Q95.1Very high80.4Confident67 Ų6764 Ų6431%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-77.5130.8169.2-172179.513.500110.3L54 Q98 V99 Y119 K120 V122Q52-L54 PolarHBondContact O-N 3.49Å; Q52-Q98 WeakPolarHBondContact CA-O 3.26Å; Q52-V99 HydrophobicContact CB-CG2 4.01Å; Q52-V99 HydrophobicContact CG-CG2 4.15Å; Q52-Y119 WeakPolarHBondContact O-CA 3.36Å; Q52-K120 PolarHBondContact N-O 3.31Å; Q52-K120 PolarHBondContact O-N 2.86Å; Q52-V122 HydrophobicContact CB-CG1 3.92Å
53I95.7Very high82.6Confident0 Ų060.9 Ų60.90%031%0.313CS..EExtended strand (participates in β ladder)trans-77.3105.6173.6-53.8179.6000108.6T56 L94 G97 Q98 L100 Y118 Y119I53-T56 HydrophobicContact CG2-CG2 4.02Å; I53-L94 HydrophobicContact CD1-CB 3.79Å; I53-L94 HydrophobicContact CD1-CD1 4.23Å; I53-L94 HydrophobicContact CD1-CD2 4.36Å; I53-L94 HydrophobicContact CD1-CG 4.36Å; I53-G97 PolarHBondContact O-N 3.34Å; I53-Q98 HydrophobicContact CD1-CB 4.26Å; I53-Q98 PolarHBondContact N-O 3.38Å; I53-L100 HydrophobicContact CD1-CD1 3.95Å; I53-L100 HydrophobicContact CD1-CD2 4.24Å; I53-L100 HydrophobicContact CD1-CG 4.01Å; I53-L100 HydrophobicContact CG1-CD1 4.2Å; I53-L100 HydrophobicContact CG1-CG 4.18Å; I53-Y118 CarbonylContact C-O 3.57Å; I53-Y118 WeakPolarHBondContact CA-O 3.49Å; I53-Y119 HydrophobicContact CG1-CD1 4.36Å; I53-Y119 HydrophobicContact CG1-CE1 4.31Å
54L95.4Very high84.7Confident62 Ų6255.4 Ų55.433%0.32529%0.287SS..SBendtrans-75.9-40.2174.4-58.4-173000111.3Q52 K96 E116 Y118 K120Q52-L54 PolarHBondContact O-N 3.49Å; L54-K96 WeakPolarHBondContact O-CD 3.42Å; L54-K96 WeakPolarHBondContact O-CE 3.34Å; L54-K96 VanDerWaalsContact O-CG 3.28Å; L54-K96 WeakPolarHBondContact O-CG 3.5Å; L54-E116 WeakPolarHBondContact CD1-O 3.46Å; L54-Y118 PolarHBondContact N-O 3.07Å; L54-K120 HydrophobicContact CD1-CB 4.04Å; L54-K120 HydrophobicContact CD2-CB 4.01Å; L54-K120 HydrophobicContact CG-CB 4.05Å
55Q92.8Very high86.4Confident113 Ų11359.5 Ų59.553%0.52830%0.295SS..SBendtrans-156.4149.2176-179.4170.34.100109.1Y118Q55-Y118 HydrophobicContact CB-CD1 4.34Å; Q55-Y118 WeakPolarHBondContact O-CA 3.43Å; Q55-Y118 WeakPolarHBondContact O-CB 3.37Å; Q55-Y118 WeakPolarHBondContact O-CD1 3.46Å
56T89.5Confident88Confident41 Ų4153.7 Ų53.725%0.25226%0.264SS..  trans-86.1127.6175.350.40000110.2I53 K58I53-T56 HydrophobicContact CG2-CG2 4.02Å; T56-K58 PolarHBondContact O-N 3.43Å; T56-K58 VanDerWaalsContact O-N 3.15Å
57P87.6Confident89.1Confident42 Ų4253 Ų5327%0.27326%0.26SS..SBendtrans-57.8-25.5178.1-1819.6000115.1Y118P57-Y118 VanDerWaalsContact CA-CE1 3.47Å; P57-Y118 HydrophobicContact CB-CD1 4.12Å; P57-Y118 HydrophobicContact CB-CD2 4.2Å; P57-Y118 HydrophobicContact CB-CE1 3.95Å; P57-Y118 HydrophobicContact CB-CE2 4.02Å; P57-Y118 HydrophobicContact CB-CG 4.24Å; P57-Y118 HydrophobicContact CG-CD1 3.82Å; P57-Y118 HydrophobicContact CG-CD2 3.77Å; P57-Y118 HydrophobicContact CG-CE1 4.17Å; P57-Y118 HydrophobicContact CG-CE2 4.11Å; P57-Y118 HydrophobicContact CG-CG 3.6Å
58K87.8Confident89.8Confident110 Ų11058.2 Ų58.248%0.47828%0.28SS..SBendtrans-141.6152.3-176.4-61.7168.6-170.6153.30109T56 D69T56-K58 PolarHBondContact O-N 3.43Å; T56-K58 VanDerWaalsContact O-N 3.15Å; K58-D69 VanDerWaalsContact NZ-CG 3.34Å; K58-D69 IonicContact NZ-OD1 2.9Å; K58-D69 PolarHBondContact NZ-OD1 3.19Å; K58-D69 IonicContact NZ-OD2 2.96Å; K58-D69 PolarHBondContact NZ-OD2 2.94Å
59E84.9Confident90.2Very high174 Ų17458.5 Ų58.581%0.81328%0.28SS*.THydrogen-bonded Turntrans-64.8142.3168.6-69.7-171.9170.700110.8L61E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.43Å
60N87Confident90.2Very high106 Ų10655 Ų5557%0.56727%0.267SS*.THydrogen-bonded Turntrans52.845.8-179.3-60.6-41.7000113.5T62 R65N60-T62 PolarHBondContact O-N 2.91Å; N60-R65 PolarHBondContact O-NH1 3.33Å
61L92.8Very high89.7Confident2 Ų262.1 Ų62.11%0.0130%0.299CS..  trans-66.4105.1171.8-177.170.1000109.3E59 R65 F66 L94E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.43Å; L61-R65 HydrophobicContact CD1-CB 3.9Å; L61-F66 HydrophobicContact CD1-CB 4.41Å; L61-F66 HydrophobicContact CD2-CB 4.34Å; L61-F66 HydrophobicContact CD2-CD2 4.44Å; L61-F66 HydrophobicContact CG-CB 4.36Å; L61-L94 HydrophobicContact CD2-CD1 4.11Å; L61-L94 HydrophobicContact CG-CD1 4.32Å; L61-L94 WeakPolarHBondContact O-CB 3.42Å; L61-L94 PolarHBondContact O-N 2.91Å
62T92.7Very high88.8Confident21 Ų2166.2 Ų66.213%0.12932%0.321CS..BIsolated β-bridgetrans-84.6162.3173.662.50000110.7N60 S64 R65 F66 H91 T92 V93N60-T62 PolarHBondContact O-N 2.91Å; T62-S64 VanDerWaalsContact C-N 3.33Å; T62-S64 PolarHBondContact O-N 3.33Å; T62-R65 WeakPolarHBondContact O-CB 3.31Å; T62-R65 PolarHBondContact O-N 2.87Å; T62-R65 WeakPolarHBondContact OG1-CG 3.48Å; T62-R65 PolarHBondContact OG1-N 2.8Å; T62-F66 PolarHBondContact O-N 3.41Å; T62-H91 VanDerWaalsContact CG2-O 3.32Å; T62-H91 WeakPolarHBondContact CG2-O 3.47Å; T62-T92 VanDerWaalsContact CA-O 3.29Å; T62-T92 WeakPolarHBondContact CA-O 3.09Å; T62-V93 HydrophobicContact CG2-CG2 4.11Å
63I87.5Confident87.9Confident0 Ų068.2 Ų68.20%033%0.329CS..Hα-helixtrans-58-44.8177.1-70.3173000111.8R65 F66 E67 V76 V79 F88 T92 L94I63-R65 PolarHBondContact O-N 2.96Å; I63-F66 WeakPolarHBondContact O-CB 3.45Å; I63-F66 PolarHBondContact O-N 3.29Å; I63-E67 HydrophobicContact CG2-CG 4.4Å; I63-E67 WeakPolarHBondContact O-CG 3.4Å; I63-E67 PolarHBondContact O-N 2.87Å; I63-V76 HydrophobicContact CG2-CB 3.95Å; I63-V76 HydrophobicContact CG2-CG2 4Å; I63-V79 HydrophobicContact CD1-CG2 3.76Å; I63-F88 HydrophobicContact CD1-CB 3.61Å; I63-F88 HydrophobicContact CD1-CD2 3.11Å; I63-F88 HydrophobicContact CD1-CE2 3.92Å; I63-F88 HydrophobicContact CD1-CG 3.6Å; I63-F88 HydrophobicContact CG1-CD2 4.38Å; I63-F88 HydrophobicContact CG2-CD2 4.29Å; I63-F88 HydrophobicContact CG2-CE2 4.26Å; I63-T92 HydrophobicContact CD1-CG2 4.3Å; I63-T92 PolarHBondContact N-O 3.04Å; I63-T92 VanDerWaalsContact N-O 3.07Å; I63-L94 HydrophobicContact CD1-CD2 4.02Å; I63-L94 HydrophobicContact CG1-CD1 4.31Å; I63-L94 HydrophobicContact CG1-CD2 3.59Å; I63-L94 HydrophobicContact CG1-CG 3.92Å
64S85.8Confident87.4Confident31 Ų3168.2 Ų68.222%0.21733%0.329CS..Hα-helixtrans-60.5-30.1175.1-179.40000113.5T62 K68 S90T62-S64 VanDerWaalsContact C-N 3.33Å; T62-S64 PolarHBondContact O-N 3.33Å; S64-K68 WeakPolarHBondContact O-CB 3.21Å; S64-K68 WeakPolarHBondContact O-CD 3.34Å; S64-K68 WeakPolarHBondContact O-CG 3.29Å; S64-K68 PolarHBondContact O-N 3.07Å; S64-K68 VanDerWaalsContact O-N 3.15Å; S64-S90 WeakPolarHBondContact CB-O 3.48Å; S64-S90 PolarHBondContact N-O 3.34Å
65R88.8Confident86.8Confident134 Ų13466.7 Ų66.751%0.50632%0.32SS..Hα-helixtrans-77.7-41.6177.4-76174.2177.4175.1-4.3111.1N60 L61 T62 I63 K68 D69N60-R65 PolarHBondContact O-NH1 3.33Å; L61-R65 HydrophobicContact CD1-CB 3.9Å; T62-R65 WeakPolarHBondContact O-CB 3.31Å; T62-R65 PolarHBondContact O-N 2.87Å; T62-R65 WeakPolarHBondContact OG1-CG 3.48Å; T62-R65 PolarHBondContact OG1-N 2.8Å; I63-R65 PolarHBondContact O-N 2.96Å; R65-K68 PolarHBondContact O-N 3.37Å; R65-D69 PolarHBondContact O-N 2.97Å
66F92.4Very high86.6Confident1 Ų161.3 Ų61.30%0.00430%0.295CS..Hα-helixtrans-55.8-51.7171.9171.2-88.6000110.9L61 T62 I63 K68 D69 F70 V74 V76 L94 L100 V102 Y119L61-F66 HydrophobicContact CD1-CB 4.41Å; L61-F66 HydrophobicContact CD2-CB 4.34Å; L61-F66 HydrophobicContact CD2-CD2 4.44Å; L61-F66 HydrophobicContact CG-CB 4.36Å; T62-F66 PolarHBondContact O-N 3.41Å; I63-F66 WeakPolarHBondContact O-CB 3.45Å; I63-F66 PolarHBondContact O-N 3.29Å; F66-K68 VanDerWaalsContact C-N 3.31Å; F66-K68 PolarHBondContact O-N 3.27Å; F66-D69 WeakPolarHBondContact O-CB 3.45Å; F66-D69 PolarHBondContact O-N 2.97Å; F66-D69 VanDerWaalsContact O-N 3.13Å; F66-F70 HydrophobicContact CD2-CD2 4.49Å; F66-F70 AromaticContact CD2-CE2 3.96Å; F66-F70 HydrophobicContact CD2-CE2 3.96Å; F66-F70 HydrophobicContact CE1-CD2 4.26Å; F66-F70 HydrophobicContact CE1-CE2 4.35Å; F66-F70 HydrophobicContact CE2-CD2 4.19Å; F66-F70 AromaticContact CE2-CE2 3.51Å; F66-F70 HydrophobicContact CE2-CE2 3.51Å; F66-F70 HydrophobicContact CE2-CZ 4.44Å; F66-F70 HydrophobicContact CZ-CD2 4.05Å; F66-F70 AromaticContact CZ-CE2 3.72Å; F66-F70 HydrophobicContact CZ-CE2 3.72Å; F66-F70 VanDerWaalsContact O-CD2 3.29Å; F66-F70 WeakPolarHBondContact O-CD2 3.44Å; F66-F70 PolarHBondContact O-N 2.85Å; F66-V74 HydrophobicContact CE1-CG1 4.04Å; F66-V74 HydrophobicContact CZ-CG1 4.28Å; F66-V76 HydrophobicContact CD1-CG2 3.49Å; F66-V76 VanDerWaalsContact CD1-CG2 3.49Å; F66-V76 HydrophobicContact CE1-CG2 3.63Å; F66-L94 HydrophobicContact CB-CD1 3.88Å; F66-L94 HydrophobicContact CD2-CD1 4.36Å; F66-L94 HydrophobicContact CG-CD1 4.18Å; F66-L100 HydrophobicContact CD2-CD1 4.23Å; F66-L100 HydrophobicContact CE1-CD1 4.37Å; F66-L100 HydrophobicContact CE2-CD1 3.97Å; F66-L100 HydrophobicContact CZ-CD1 4.06Å; F66-V102 HydrophobicContact CE1-CG1 3.93Å; F66-V102 HydrophobicContact CZ-CG1 4.07Å; F66-Y119 HydrophobicContact CD2-CE1 4.26Å; F66-Y119 AromaticContact CD2-CZ 3.94Å; F66-Y119 WeakPolarHBondContact CD2-OH 3.41Å; F66-Y119 AromaticContact CE2-CE1 3.85Å; F66-Y119 HydrophobicContact CE2-CE1 3.85Å; F66-Y119 HydrophobicContact CE2-CE2 4.22Å; F66-Y119 AromaticContact CE2-CZ 3.65Å
67E87.3Confident86.2Confident17 Ų1760 Ų608%0.07929%0.286CS..Hα-helixtrans-60.4-41.6179.6-66.2174.7162.500111.2I63 D69 F70 H71 N72 I75 V76 R187I63-E67 HydrophobicContact CG2-CG 4.4Å; I63-E67 WeakPolarHBondContact O-CG 3.4Å; I63-E67 PolarHBondContact O-N 2.87Å; E67-D69 PolarHBondContact O-N 3.43Å; E67-F70 CarbonylContact O-C 3.36Å; E67-F70 PolarHBondContact O-N 2.99Å; E67-F70 VanDerWaalsContact O-N 3.16Å; E67-H71 PolarHBondContact O-N 3.01Å; E67-N72 WeakPolarHBondContact O-CA 3.42Å; E67-N72 PolarHBondContact O-N 2.94Å; E67-I75 HydrophobicContact CG-CD1 4.42Å; E67-V76 HydrophobicContact CG-CG2 4.23Å; E67-V76 PolarHBondContact OE1-N 2.89Å; E67-R187 IonicContact OE1-NH1 2.97Å
68K86.8Confident86.1Confident129 Ų12959.2 Ų59.256%0.56128%0.279SS*.Hα-helixtrans-64.3-36.1174.9-78.8175.4-178.7-178.80114S64 R65 F66 F70 H71S64-K68 WeakPolarHBondContact O-CB 3.21Å; S64-K68 WeakPolarHBondContact O-CD 3.34Å; S64-K68 WeakPolarHBondContact O-CG 3.29Å; S64-K68 PolarHBondContact O-N 3.07Å; S64-K68 VanDerWaalsContact O-N 3.15Å; R65-K68 PolarHBondContact O-N 3.37Å; F66-K68 VanDerWaalsContact C-N 3.31Å; F66-K68 PolarHBondContact O-N 3.27Å; K68-F70 PolarHBondContact O-N 3.33Å; K68-H71 PolarHBondContact O-N 3.47Å
69D89.5Confident86.3Confident70 Ų7054 Ų5437%0.37426%0.256SS..Hα-helixtrans-62.2-21.6176.4-77.8-10.1000111.1K58 R65 F66 E67K58-D69 VanDerWaalsContact NZ-CG 3.34Å; K58-D69 IonicContact NZ-OD1 2.9Å; K58-D69 PolarHBondContact NZ-OD1 3.19Å; K58-D69 IonicContact NZ-OD2 2.96Å; K58-D69 PolarHBondContact NZ-OD2 2.94Å; R65-D69 PolarHBondContact O-N 2.97Å; F66-D69 WeakPolarHBondContact O-CB 3.45Å; F66-D69 PolarHBondContact O-N 2.97Å; F66-D69 VanDerWaalsContact O-N 3.13Å; E67-D69 PolarHBondContact O-N 3.43Å
70F87.3Confident86.6Confident26 Ų2646 Ų4611%0.11422%0.219CC..THydrogen-bonded Turntrans-108.227.7170.7-60.5-80000113.1F66 E67 K68 N72 K73 V74 K111 V112 Y119F66-F70 HydrophobicContact CD2-CD2 4.49Å; F66-F70 AromaticContact CD2-CE2 3.96Å; F66-F70 HydrophobicContact CD2-CE2 3.96Å; F66-F70 HydrophobicContact CE1-CD2 4.26Å; F66-F70 HydrophobicContact CE1-CE2 4.35Å; F66-F70 HydrophobicContact CE2-CD2 4.19Å; F66-F70 AromaticContact CE2-CE2 3.51Å; F66-F70 HydrophobicContact CE2-CE2 3.51Å; F66-F70 HydrophobicContact CE2-CZ 4.44Å; F66-F70 HydrophobicContact CZ-CD2 4.05Å; F66-F70 AromaticContact CZ-CE2 3.72Å; F66-F70 HydrophobicContact CZ-CE2 3.72Å; F66-F70 VanDerWaalsContact O-CD2 3.29Å; F66-F70 WeakPolarHBondContact O-CD2 3.44Å; F66-F70 PolarHBondContact O-N 2.85Å; E67-F70 CarbonylContact O-C 3.36Å; E67-F70 PolarHBondContact O-N 2.99Å; E67-F70 VanDerWaalsContact O-N 3.16Å; K68-F70 PolarHBondContact O-N 3.33Å; F70-N72 PolarHBondContact O-N 2.83Å; F70-N72 VanDerWaalsContact O-N 3.07Å; F70-K73 WeakPolarHBondContact O-CB 3.41Å; F70-K73 PolarHBondContact O-N 3.26Å; F70-V74 HydrophobicContact CB-CB 3.78Å; F70-V74 HydrophobicContact CB-CG2 3.79Å; F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CB 4.32Å; F70-V74 HydrophobicContact CG-CB 4.06Å; F70-V74 HydrophobicContact CG-CG2 3.99Å; F70-K111 HydrophobicContact CD1-CB 4.4Å; F70-K111 HydrophobicContact CE1-CB 4.31Å; F70-V112 HydrophobicContact CD1-CG2 4.04Å; F70-V112 HydrophobicContact CE1-CB 4.29Å; F70-V112 HydrophobicContact CE1-CG2 3.62Å; F70-V112 HydrophobicContact CE2-CG2 4.17Å; F70-V112 HydrophobicContact CG-CG2 4.48Å; F70-V112 HydrophobicContact CZ-CB 4.25Å; F70-V112 HydrophobicContact CZ-CG1 4.41Å; F70-V112 HydrophobicContact CZ-CG2 3.71Å; F70-Y119 HydrophobicContact CZ-CE2 4.29Å
71H83.4Confident86.8Confident157 Ų15743.2 Ų43.273%0.72721%0.208SC*.THydrogen-bonded Turntrans54.528.6178.1-55-73.1000114.8E67 K68 K73E67-H71 PolarHBondContact O-N 3.01Å; K68-H71 PolarHBondContact O-N 3.47Å; H71-K73 PolarHBondContact O-N 3.23Å
72N74.8Confident86.6Confident87 Ų8752.3 Ų52.347%0.46525%0.247SC..THydrogen-bonded Turntrans57.820.2-172.3-50.6-56.9000114.6E67 F70 I75E67-N72 WeakPolarHBondContact O-CA 3.42Å; E67-N72 PolarHBondContact O-N 2.94Å; F70-N72 PolarHBondContact O-N 2.83Å; F70-N72 VanDerWaalsContact O-N 3.07Å; N72-I75 HydrophobicContact CB-CD1 4.28Å; N72-I75 VanDerWaalsContact O-CD1 3.31Å; N72-I75 WeakPolarHBondContact O-CD1 3.24Å
73K76.5Confident86.2Confident110 Ų11056.5 Ų56.548%0.47827%0.265SS..SBendtrans-86.7-16.2172.1-61-163.4175.8-167.10113.3F70 H71 G104 D108F70-K73 WeakPolarHBondContact O-CB 3.41Å; F70-K73 PolarHBondContact O-N 3.26Å; H71-K73 PolarHBondContact O-N 3.23Å; K73-G104 VanDerWaalsContact O-CA 3.31Å; K73-G104 WeakPolarHBondContact O-CA 3.41Å; K73-D108 HydrophobicContact CB-CB 4.17Å; K73-D108 WeakPolarHBondContact CB-OD2 3.18Å; K73-D108 WeakPolarHBondContact CD-OD2 3.24Å
74V85.3Confident86.1Confident0 Ų064 Ų640%030%0.298CS..SBendtrans-115.1109.3172.2-178.50000108F66 F70 V102 L103 D108 L109 V112F66-V74 HydrophobicContact CE1-CG1 4.04Å; F66-V74 HydrophobicContact CZ-CG1 4.28Å; F70-V74 HydrophobicContact CB-CB 3.78Å; F70-V74 HydrophobicContact CB-CG2 3.79Å; F70-V74 HydrophobicContact CD1-CG2 4.26Å; F70-V74 HydrophobicContact CD2-CB 4.32Å; F70-V74 HydrophobicContact CG-CB 4.06Å; F70-V74 HydrophobicContact CG-CG2 3.99Å; V74-V102 HydrophobicContact CG1-CB 3.58Å; V74-V102 HydrophobicContact CG1-CG1 4.02Å; V74-V102 HydrophobicContact CG1-CG2 3.74Å; V74-L103 WeakPolarHBondContact CA-O 3.13Å; V74-D108 HydrophobicContact CG2-CB 3.83Å; V74-L109 HydrophobicContact CG1-CD2 4.38Å; V74-V112 HydrophobicContact CG1-CG2 4.01Å; V74-V112 HydrophobicContact CG2-CG2 4Å
75I82.7Confident86.1Confident29 Ų2966.6 Ų66.615%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-105.3133.2-176.7-57.7-59000110E67 N72 Q77 V102 L103E67-I75 HydrophobicContact CG-CD1 4.42Å; N72-I75 HydrophobicContact CB-CD1 4.28Å; N72-I75 VanDerWaalsContact O-CD1 3.31Å; N72-I75 WeakPolarHBondContact O-CD1 3.24Å; I75-Q77 PolarHBondContact O-N 2.89Å; I75-V102 CarbonylContact O-C 3.52Å; I75-V102 VanDerWaalsContact O-CA 3.26Å; I75-V102 WeakPolarHBondContact O-CA 3.29Å; I75-L103 PolarHBondContact N-O 2.92Å; I75-L103 PolarHBondContact O-N 2.78Å
76V87.7Confident86Confident0 Ų063.7 Ų63.70%031%0.306CS..EExtended strand (participates in β ladder)trans-78117.4177-178.40000109I63 F66 E67 V79 F88 L100 V102I63-V76 HydrophobicContact CG2-CB 3.95Å; I63-V76 HydrophobicContact CG2-CG2 4Å; F66-V76 HydrophobicContact CD1-CG2 3.49Å; F66-V76 VanDerWaalsContact CD1-CG2 3.49Å; F66-V76 HydrophobicContact CE1-CG2 3.63Å; E67-V76 HydrophobicContact CG-CG2 4.23Å; E67-V76 PolarHBondContact OE1-N 2.89Å; V76-V79 HydrophobicContact CG1-CG2 3.86Å; V76-F88 HydrophobicContact CB-CE2 4.28Å; V76-F88 HydrophobicContact CG1-CE2 3.92Å; V76-F88 HydrophobicContact CG1-CZ 4.03Å; V76-F88 WeakPolarHBondContact O-CZ 3.24Å; V76-L100 HydrophobicContact CG1-CD2 4.28Å; V76-V102 HydrophobicContact CG2-CG1 4.25Å
77Q81.1Confident85.5Confident15 Ų1570.3 Ų70.37%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-94.7-35.4-179.7-59.8-54.4-21.500112.8I75 T101 L103 I130 P185I75-Q77 PolarHBondContact O-N 2.89Å; Q77-T101 PolarHBondContact N-O 3.13Å; Q77-L103 HydrophobicContact CG-CB 3.56Å; Q77-L103 HydrophobicContact CG-CD2 4.07Å; Q77-I130 HydrophobicContact CB-CD1 4.02Å; Q77-I130 HydrophobicContact CB-CG2 4Å; Q77-I130 HydrophobicContact CG-CD1 4.38Å; Q77-P185 VanDerWaalsContact CD-CG 3.49Å; Q77-P185 HydrophobicContact CG-CG 4.36Å
78Q86.3Confident85.4Confident24 Ų2471 Ų7111%0.11235%0.349CS..EExtended strand (participates in β ladder)trans-150.6146175.8-173.160.2-70.200111.3F80 P85 Q86 T101Q78-F80 HydrophobicContact CB-CD2 4.4Å; Q78-F80 HydrophobicContact CB-CE2 3.67Å; Q78-F80 HydrophobicContact CB-CZ 4.15Å; Q78-F80 HydrophobicContact CG-CD2 3.89Å; Q78-F80 HydrophobicContact CG-CE1 4.16Å; Q78-F80 HydrophobicContact CG-CE2 3.28Å; Q78-F80 HydrophobicContact CG-CZ 3.44Å; Q78-F80 VanDerWaalsContact CG-CZ 3.44Å; Q78-P85 HydrophobicContact CG-CB 4.26Å; Q78-Q86 PolarHBondContact OE1-O 2.84Å; Q78-T101 PolarHBondContact N-O 3.08Å; Q78-T101 PolarHBondContact O-N 3.23Å
79V91Very high85.3Confident0 Ų068.9 Ų68.90%034%0.344CS..EExtended strand (participates in β ladder)trans-111.8134.7170.5-176.60000108.6I63 V76 Q86 F88 L94 Q98 V99 L100I63-V79 HydrophobicContact CD1-CG2 3.76Å; V76-V79 HydrophobicContact CG1-CG2 3.86Å; V79-Q86 PolarHBondContact O-N 3.35Å; V79-F88 HydrophobicContact CB-CD1 4.18Å; V79-F88 HydrophobicContact CB-CG 4.48Å; V79-F88 HydrophobicContact CG2-CB 4.1Å; V79-F88 HydrophobicContact CG2-CD1 3.77Å; V79-F88 HydrophobicContact CG2-CD2 4.2Å; V79-F88 HydrophobicContact CG2-CE1 4.25Å; V79-F88 HydrophobicContact CG2-CG 3.75Å; V79-L94 HydrophobicContact CG2-CD2 4.46Å; V79-Q98 HydrophobicContact CG1-CB 4.32Å; V79-Q98 HydrophobicContact CG1-CG 4.34Å; V79-V99 CarbonylContact C-O 3.58Å; V79-L100 HydrophobicContact CB-CD2 4.37Å; V79-L100 HydrophobicContact CG1-CD2 4.11Å; V79-L100 HydrophobicContact CG2-CD2 3.8Å
80F92.7Very high84.8Confident6 Ų668 Ų683%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-118.4138.3175.9-62.1-99.5000110.6Q78 K84 P85 Q98 V99 T101 A126 Y127Q78-F80 HydrophobicContact CB-CD2 4.4Å; Q78-F80 HydrophobicContact CB-CE2 3.67Å; Q78-F80 HydrophobicContact CB-CZ 4.15Å; Q78-F80 HydrophobicContact CG-CD2 3.89Å; Q78-F80 HydrophobicContact CG-CE1 4.16Å; Q78-F80 HydrophobicContact CG-CE2 3.28Å; Q78-F80 HydrophobicContact CG-CZ 3.44Å; Q78-F80 VanDerWaalsContact CG-CZ 3.44Å; F80-K84 VanDerWaalsContact CA-O 3.3Å; F80-K84 WeakPolarHBondContact CA-O 3.14Å; F80-P85 HydrophobicContact CD1-CB 4.28Å; F80-P85 HydrophobicContact CE1-CB 4.07Å; F80-Q98 CarbonylContact O-C 3.5Å; F80-Q98 VanDerWaalsContact O-CA 3.24Å; F80-Q98 WeakPolarHBondContact O-CA 3.21Å; F80-Q98 WeakPolarHBondContact O-CB 3.17Å; F80-V99 HydrophobicContact CB-CB 4.22Å; F80-V99 PolarHBondContact N-O 3.14Å; F80-V99 PolarHBondContact O-N 3.36Å; F80-T101 WeakPolarHBondContact CE2-OG1 3.29Å; F80-A126 WeakPolarHBondContact CE1-O 3.45Å; F80-Y127 HydrophobicContact CB-CD1 3.91Å; F80-Y127 HydrophobicContact CB-CE1 3.71Å; F80-Y127 AromaticContact CD1-CD1 3.72Å; F80-Y127 HydrophobicContact CD1-CD1 3.72Å; F80-Y127 HydrophobicContact CD1-CE1 4.06Å; F80-Y127 AromaticContact CD2-CD1 3.58Å; F80-Y127 HydrophobicContact CD2-CD1 3.58Å; F80-Y127 HydrophobicContact CD2-CE1 4.27Å; F80-Y127 HydrophobicContact CD2-CG 4.46Å; F80-Y127 HydrophobicContact CE1-CD1 4.07Å; F80-Y127 AromaticContact CE2-CD1 3.94Å; F80-Y127 HydrophobicContact CE2-CD1 3.94Å; F80-Y127 AromaticContact CG-CD1 3.46Å; F80-Y127 HydrophobicContact CG-CD1 3.46Å; F80-Y127 VanDerWaalsContact CG-CD1 3.46Å; F80-Y127 AromaticContact CG-CE1 3.78Å; F80-Y127 HydrophobicContact CG-CE1 3.78Å; F80-Y127 HydrophobicContact CZ-CD1 4.17Å
81S91.1Very high84.8Confident49 Ų4973.7 Ų73.734%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-123.1123.2167.5-1690000108.3H83 K84S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 3.2Å; S81-K84 PolarHBondContact N-O 2.93Å; S81-K84 PolarHBondContact O-N 3.1Å
82K87.5Confident85.2Confident192 Ų19267.6 Ų67.684%0.83534%0.344SS*.THydrogen-bonded Turntrans5148.9-178.3-56.1178.7178.4-178.70112.9K84K82-K84 PolarHBondContact O-N 3.45Å; K82-K84 VanDerWaalsContact O-N 3.13Å
83H85.2Confident86.1Confident109 Ų10966 Ų6651%0.50534%0.337SS..THydrogen-bonded Turntrans63.95.8-178.3-53.481.6000116.2S81 D124 Y127S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 3.2Å; H83-D124 IonicContact CD2-OD2 3.69Å; H83-D124 IonicContact NE2-OD2 3.55Å; H83-Y127 AromaticContact CD2-CZ 3.66Å; H83-Y127 PolarHBondContact CD2-OH 2.73Å; H83-Y127 PolarHBondContact NE2-OH 3.33Å
84K86.1Confident87Confident159 Ų15961 Ų6169%0.69132%0.316SS*.EExtended strand (participates in β ladder)trans-105.5135.7175.1-66.7-173.4178.4-1760110.6F80 S81 K82F80-K84 VanDerWaalsContact CA-O 3.3Å; F80-K84 WeakPolarHBondContact CA-O 3.14Å; S81-K84 PolarHBondContact N-O 2.93Å; S81-K84 PolarHBondContact O-N 3.1Å; K82-K84 PolarHBondContact O-N 3.45Å; K82-K84 VanDerWaalsContact O-N 3.13Å
85P84.4Confident87.4Confident84 Ų8467.5 Ų67.555%0.54534%0.344SS..EExtended strand (participates in β ladder)trans-62.2137.8174.125.9-32.6000109.9Q78 F80Q78-P85 HydrophobicContact CG-CB 4.26Å; F80-P85 HydrophobicContact CD1-CB 4.28Å; F80-P85 HydrophobicContact CE1-CB 4.07Å
86Q86.9Confident88Confident74 Ų7474 Ų7435%0.34637%0.371SS..EExtended strand (participates in β ladder)trans-118.7129.8-179.9-176.9-179.5-7.400108.7Q78 V79Q78-Q86 PolarHBondContact OE1-O 2.84Å; V79-Q86 PolarHBondContact O-N 3.35Å
87T81.6Confident88.2Confident139 Ų13975.6 Ų75.685%0.85339%0.388SS*.  trans-63.3138.2173.4-41.60000110.4
88F86.4Confident88.9Confident32 Ų3275.3 Ų75.314%0.1439%0.386CS..  trans-146.6150.5-177.870.1-81.4000112I63 V76 V79 T92 R187I63-F88 HydrophobicContact CD1-CB 3.61Å; I63-F88 HydrophobicContact CD1-CD2 3.11Å; I63-F88 HydrophobicContact CD1-CE2 3.92Å; I63-F88 HydrophobicContact CD1-CG 3.6Å; I63-F88 HydrophobicContact CG1-CD2 4.38Å; I63-F88 HydrophobicContact CG2-CD2 4.29Å; I63-F88 HydrophobicContact CG2-CE2 4.26Å; V76-F88 HydrophobicContact CB-CE2 4.28Å; V76-F88 HydrophobicContact CG1-CE2 3.92Å; V76-F88 HydrophobicContact CG1-CZ 4.03Å; V76-F88 WeakPolarHBondContact O-CZ 3.24Å; V79-F88 HydrophobicContact CB-CD1 4.18Å; V79-F88 HydrophobicContact CB-CG 4.48Å; V79-F88 HydrophobicContact CG2-CB 4.1Å; V79-F88 HydrophobicContact CG2-CD1 3.77Å; V79-F88 HydrophobicContact CG2-CD2 4.2Å; V79-F88 HydrophobicContact CG2-CE1 4.25Å; V79-F88 HydrophobicContact CG2-CG 3.75Å; F88-T92 HydrophobicContact CB-CG2 4.02Å; F88-R187 PolarHBondContact O-NH2 3.44Å
89D83.2Confident89.3Confident85 Ų8574.3 Ų74.346%0.45538%0.382SS..  trans-116.4-176170.863.625.1000110.4H91 T92 R187D89-H91 PolarHBondContact O-N 2.87Å; D89-H91 WeakPolarHBondContact OD1-CA 3.28Å; D89-H91 PolarHBondContact OD1-N 2.77Å; D89-T92 PolarHBondContact N-OG1 2.81Å; D89-T92 PolarHBondContact O-N 3.3Å; D89-T92 PolarHBondContact OD1-N 3.28Å; D89-T92 PolarHBondContact OD1-OG1 3.22Å; D89-R187 PolarHBondContact O-NH2 3.45Å
90S79.7Confident89.4Confident51 Ų5174.4 Ų74.436%0.35738%0.382SS..THydrogen-bonded Turntrans-68.1-18.6-179.6-58.40000113.3S64S64-S90 WeakPolarHBondContact CB-O 3.48Å; S64-S90 PolarHBondContact N-O 3.34Å
91H88.1Confident89.2Confident145 Ų14574.1 Ų74.167%0.67138%0.381SS*.THydrogen-bonded Turntrans-100.5-7.3-176.5-59.9-65.3000113.2T62 D89 V93T62-H91 VanDerWaalsContact CG2-O 3.32Å; T62-H91 WeakPolarHBondContact CG2-O 3.47Å; D89-H91 PolarHBondContact O-N 2.87Å; D89-H91 WeakPolarHBondContact OD1-CA 3.28Å; D89-H91 PolarHBondContact OD1-N 2.77Å; H91-V93 PolarHBondContact O-N 2.88Å
92T91.2Very high89.1Confident30 Ų3071.8 Ų71.818%0.18437%0.365CS..PPolyproline II helixtrans-60.5125.9179.9-61.80000110T62 I63 F88 D89T62-T92 VanDerWaalsContact CA-O 3.29Å; T62-T92 WeakPolarHBondContact CA-O 3.09Å; I63-T92 HydrophobicContact CD1-CG2 4.3Å; I63-T92 PolarHBondContact N-O 3.04Å; I63-T92 VanDerWaalsContact N-O 3.07Å; F88-T92 HydrophobicContact CB-CG2 4.02Å; D89-T92 PolarHBondContact N-OG1 2.81Å; D89-T92 PolarHBondContact O-N 3.3Å; D89-T92 PolarHBondContact OD1-N 3.28Å; D89-T92 PolarHBondContact OD1-OG1 3.22Å
93V94.4Very high88.7Confident53 Ų5363.2 Ų63.232%0.32133%0.328SS..BIsolated β-bridgetrans-80.5125-179.9179.40000110T62 H91T62-V93 HydrophobicContact CG2-CG2 4.11Å; H91-V93 PolarHBondContact O-N 2.88Å
94L94.7Very high88.4Confident5 Ų558 Ų583%0.02630%0.304CS..PPolyproline II helixtrans-76.4141.2176.7-63.8179.6000111.1I53 L61 I63 F66 V79 L100I53-L94 HydrophobicContact CD1-CB 3.79Å; I53-L94 HydrophobicContact CD1-CD1 4.23Å; I53-L94 HydrophobicContact CD1-CD2 4.36Å; I53-L94 HydrophobicContact CD1-CG 4.36Å; L61-L94 HydrophobicContact CD2-CD1 4.11Å; L61-L94 HydrophobicContact CG-CD1 4.32Å; L61-L94 WeakPolarHBondContact O-CB 3.42Å; L61-L94 PolarHBondContact O-N 2.91Å; I63-L94 HydrophobicContact CD1-CD2 4.02Å; I63-L94 HydrophobicContact CG1-CD1 4.31Å; I63-L94 HydrophobicContact CG1-CD2 3.59Å; I63-L94 HydrophobicContact CG1-CG 3.92Å; F66-L94 HydrophobicContact CB-CD1 3.88Å; F66-L94 HydrophobicContact CD2-CD1 4.36Å; F66-L94 HydrophobicContact CG-CD1 4.18Å; V79-L94 HydrophobicContact CG2-CD2 4.46Å; L94-L100 HydrophobicContact CD1-CD1 3.86Å; L94-L100 HydrophobicContact CD1-CD2 4.46Å; L94-L100 HydrophobicContact CD2-CD2 3.61Å
95K94.1Very high88.1Confident137 Ų13754.3 Ų54.360%0.59629%0.289SS*.  trans-127.8148.4-175.1-61.7-177.7-177.9-179.50110.6G97 Q98K95-G97 PolarHBondContact O-N 3.44Å; K95-Q98 HydrophobicContact CB-CG 4.44Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.47Å
96K94.2Very high87.9Confident165 Ų16553.9 Ų53.972%0.71729%0.288SS*.THydrogen-bonded Turntrans-50.5137.6170.7175.2171.7-179.3170.50111.2L54 Q98L54-K96 WeakPolarHBondContact O-CD 3.42Å; L54-K96 WeakPolarHBondContact O-CE 3.34Å; L54-K96 VanDerWaalsContact O-CG 3.28Å; L54-K96 WeakPolarHBondContact O-CG 3.5Å; K96-Q98 VanDerWaalsContact C-N 3.3Å; K96-Q98 PolarHBondContact O-N 2.9Å
97G93.4Very high87.8Confident34 Ų3456.3 Ų56.335%0.35130%0.299SS..THydrogen-bonded Turntrans85.2-9.1179.500000114.8I53 K95I53-G97 PolarHBondContact O-N 3.34Å; K95-G97 PolarHBondContact O-N 3.44Å
98Q95Very high87.9Confident8 Ų850 Ų504%0.03726%0.261CS..  trans-69.8153.4168.3-71.7178.7-44.400110.6Q52 I53 V79 F80 K95 K96Q52-Q98 WeakPolarHBondContact CA-O 3.26Å; I53-Q98 HydrophobicContact CD1-CB 4.26Å; I53-Q98 PolarHBondContact N-O 3.38Å; V79-Q98 HydrophobicContact CG1-CB 4.32Å; V79-Q98 HydrophobicContact CG1-CG 4.34Å; F80-Q98 CarbonylContact O-C 3.5Å; F80-Q98 VanDerWaalsContact O-CA 3.24Å; F80-Q98 WeakPolarHBondContact O-CA 3.21Å; F80-Q98 WeakPolarHBondContact O-CB 3.17Å; K95-Q98 HydrophobicContact CB-CG 4.44Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.47Å; K96-Q98 VanDerWaalsContact C-N 3.3Å; K96-Q98 PolarHBondContact O-N 2.9Å
99V94.9Very high88Confident4 Ų448.8 Ų48.82%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-111.8130.6170.7178.20000108.6F51 Q52 V79 F80 V122 Y127F51-V99 CarbonylContact O-C 3.58Å; F51-V99 WeakPolarHBondContact O-CA 3.25Å; Q52-V99 HydrophobicContact CB-CG2 4.01Å; Q52-V99 HydrophobicContact CG-CG2 4.15Å; V79-V99 CarbonylContact C-O 3.58Å; F80-V99 HydrophobicContact CB-CB 4.22Å; F80-V99 PolarHBondContact N-O 3.14Å; F80-V99 PolarHBondContact O-N 3.36Å; V99-V122 HydrophobicContact CG1-CG2 3.6Å; V99-V122 HydrophobicContact CG2-CG2 4.24Å; V99-Y127 HydrophobicContact CB-CD1 4.2Å; V99-Y127 HydrophobicContact CB-CE1 3.94Å; V99-Y127 HydrophobicContact CB-CE2 4.46Å; V99-Y127 HydrophobicContact CG1-CD1 3.95Å; V99-Y127 HydrophobicContact CG1-CD2 3.92Å; V99-Y127 HydrophobicContact CG1-CE1 4.11Å; V99-Y127 HydrophobicContact CG1-CE2 4.13Å; V99-Y127 HydrophobicContact CG1-CG 3.86Å; V99-Y127 HydrophobicContact CG2-CE1 4.06Å; V99-Y127 HydrophobicContact CG2-CE2 4.09Å
100L92.9Very high88.3Confident1 Ų151.7 Ų51.71%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-104.2120.6175.3-53.8179.9000108.4S50 F51 I53 F66 V76 V79 L94 V102S50-L100 CarbonylContact C-O 3.48Å; S50-L100 VanDerWaalsContact CA-O 3.28Å; S50-L100 WeakPolarHBondContact CA-O 3.36Å; F51-L100 PolarHBondContact N-O 2.95Å; F51-L100 PolarHBondContact O-N 3.32Å; I53-L100 HydrophobicContact CD1-CD1 3.95Å; I53-L100 HydrophobicContact CD1-CD2 4.24Å; I53-L100 HydrophobicContact CD1-CG 4.01Å; I53-L100 HydrophobicContact CG1-CD1 4.2Å; I53-L100 HydrophobicContact CG1-CG 4.18Å; F66-L100 HydrophobicContact CD2-CD1 4.23Å; F66-L100 HydrophobicContact CE1-CD1 4.37Å; F66-L100 HydrophobicContact CE2-CD1 3.97Å; F66-L100 HydrophobicContact CZ-CD1 4.06Å; V76-L100 HydrophobicContact CG1-CD2 4.28Å; V79-L100 HydrophobicContact CB-CD2 4.37Å; V79-L100 HydrophobicContact CG1-CD2 4.11Å; V79-L100 HydrophobicContact CG2-CD2 3.8Å; L94-L100 HydrophobicContact CD1-CD1 3.86Å; L94-L100 HydrophobicContact CD1-CD2 4.46Å; L94-L100 HydrophobicContact CD2-CD2 3.61Å; L100-V102 HydrophobicContact CB-CG1 3.92Å
101T89.5Confident88.8Confident1 Ų153.2 Ų53.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-87.8117.2162.8-56.70000107.6R49 S50 Q77 Q78 F80 Y127 I130R49-T101 CarbonylContact O-C 3.51Å; R49-T101 WeakPolarHBondContact O-CA 3.23Å; S50-T101 PolarHBondContact OG-OG1 3.05Å; Q77-T101 PolarHBondContact N-O 3.13Å; Q78-T101 PolarHBondContact N-O 3.08Å; Q78-T101 PolarHBondContact O-N 3.23Å; F80-T101 WeakPolarHBondContact CE2-OG1 3.29Å; T101-Y127 PolarHBondContact OG1-O 3.21Å; T101-I130 HydrophobicContact CG2-CD1 3.48Å; T101-I130 VanDerWaalsContact CG2-CD1 3.48Å; T101-I130 HydrophobicContact CG2-CG1 3.75Å
102V88.3Confident88.9Confident0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-117.8156.3-175.9-56.60000110.4T48 R49 F51 F66 V74 I75 V76 L100 L109T48-V102 WeakPolarHBondContact CA-O 3.48Å; R49-V102 PolarHBondContact N-O 3.33Å; R49-V102 PolarHBondContact O-N 2.89Å; F51-V102 HydrophobicContact CD2-CG2 3.57Å; F51-V102 HydrophobicContact CE2-CG2 3.5Å; F66-V102 HydrophobicContact CE1-CG1 3.93Å; F66-V102 HydrophobicContact CZ-CG1 4.07Å; V74-V102 HydrophobicContact CG1-CB 3.58Å; V74-V102 HydrophobicContact CG1-CG1 4.02Å; V74-V102 HydrophobicContact CG1-CG2 3.74Å; I75-V102 CarbonylContact O-C 3.52Å; I75-V102 VanDerWaalsContact O-CA 3.26Å; I75-V102 WeakPolarHBondContact O-CA 3.29Å; V76-V102 HydrophobicContact CG2-CG1 4.25Å; L100-V102 HydrophobicContact CB-CG1 3.92Å; V102-L109 HydrophobicContact CG2-CD2 3.63Å
103L79.1Confident88.8Confident11 Ų1147.7 Ų47.76%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-128.2130.5-179.9-17956.2000108.8M46 T48 V74 I75 Q77 N155 P185M46-L103 HydrophobicContact CB-CD1 4.08Å; T48-L103 HydrophobicContact CG2-CD1 3.77Å; V74-L103 WeakPolarHBondContact CA-O 3.13Å; I75-L103 PolarHBondContact N-O 2.92Å; I75-L103 PolarHBondContact O-N 2.78Å; Q77-L103 HydrophobicContact CG-CB 3.56Å; Q77-L103 HydrophobicContact CG-CD2 4.07Å; L103-N155 VanDerWaalsContact CD1-OD1 3.3Å; L103-N155 WeakPolarHBondContact CD1-OD1 3.3Å; L103-N155 HydrophobicContact CD2-CB 3.22Å; L103-N155 VanDerWaalsContact CD2-ND2 3.28Å; L103-N155 WeakPolarHBondContact CD2-ND2 3.27Å; L103-N155 WeakPolarHBondContact CD2-OD1 3.47Å; L103-N155 HydrophobicContact CG-CB 4.08Å; L103-N155 VanDerWaalsContact CG-ND2 3.31Å; L103-N155 WeakPolarHBondContact CG-ND2 3.35Å; L103-N155 WeakPolarHBondContact CG-OD1 3.1Å; L103-P185 HydrophobicContact CD2-CG 4.03Å
104G79.2Confident88.7Confident0 Ų051.3 Ų51.30%025%0.247CC..EExtended strand (participates in β ladder)trans-171.2171.5-176.300000110.8M46 S47 K73M46-G104 VanDerWaalsContact CA-O 3.26Å; M46-G104 WeakPolarHBondContact CA-O 3.39Å; M46-G104 VanDerWaalsContact CE-CA 3.49Å; S47-G104 PolarHBondContact N-O 3.22Å; S47-G104 PolarHBondContact O-N 3.15Å; K73-G104 VanDerWaalsContact O-CA 3.31Å; K73-G104 WeakPolarHBondContact O-CA 3.41Å
105E79Confident88.4Confident82 Ų8252.4 Ų52.438%0.38326%0.256SS..EExtended strand (participates in β ladder)trans-68156.7169.6-68.3-170.6173.600111.3M46 E107 D108 L109M46-E105 HydrophobicContact CG-CG 4.16Å; E105-E107 PolarHBondContact O-N 3.41Å; E105-E107 VanDerWaalsContact O-N 3.14Å; E105-D108 PolarHBondContact O-N 2.89Å; E105-L109 WeakPolarHBondContact O-CG 3.33Å; E105-L109 PolarHBondContact O-N 3.4Å
106S81.1Confident88Confident74 Ų7452.8 Ų52.852%0.51726%0.26SS..Hα-helixtrans-54.7-35.8-179.1-640000112.8W110S106-W110 WeakPolarHBondContact O-CB 3.45Å; S106-W110 PolarHBondContact O-N 2.84Å; S106-W110 VanDerWaalsContact O-N 3.1Å
107E83.1Confident87.9Confident125 Ų12549.7 Ų49.758%0.58426%0.255SS*.Hα-helixtrans-68.3-39.3177.2-164-160.1127.400112.8E105 W110 K111E105-E107 PolarHBondContact O-N 3.41Å; E105-E107 VanDerWaalsContact O-N 3.14Å; E107-W110 WeakPolarHBondContact O-CB 3.45Å; E107-W110 PolarHBondContact O-N 3.31Å; E107-K111 PolarHBondContact O-N 3.29Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 3.71Å; E107-K111 PolarHBondContact OE1-NZ 2.95Å
108D85.1Confident87.9Confident8 Ų852 Ų524%0.04325%0.253CS..Hα-helixtrans-79.3-33.2-178-63.9-51.6000112K73 V74 E105 W110 K111 V112K73-D108 HydrophobicContact CB-CB 4.17Å; K73-D108 WeakPolarHBondContact CB-OD2 3.18Å; K73-D108 WeakPolarHBondContact CD-OD2 3.24Å; V74-D108 HydrophobicContact CG2-CB 3.83Å; E105-D108 PolarHBondContact O-N 2.89Å; D108-W110 VanDerWaalsContact C-N 3.28Å; D108-W110 PolarHBondContact O-N 2.88Å; D108-K111 WeakPolarHBondContact O-CB 3.37Å; D108-K111 PolarHBondContact O-N 3.08Å; D108-K111 VanDerWaalsContact O-N 3.16Å; D108-K111 IonicContact OD1-NZ 3.35Å; D108-K111 PolarHBondContact OD1-NZ 3.5Å; D108-V112 PolarHBondContact O-N 3.47Å
109L88Confident87.9Confident5 Ų552 Ų523%0.02625%0.253CS..Hα-helixtrans-64.7-35.6169.8-63.2179.1000111.6S47 R49 F51 V74 V102 E105 K111 V112 M113S47-L109 WeakPolarHBondContact O-CD1 3.47Å; S47-L109 WeakPolarHBondContact OG-CD1 3.34Å; R49-L109 HydrophobicContact CB-CD1 4.23Å; R49-L109 HydrophobicContact CG-CD1 3.56Å; F51-L109 HydrophobicContact CE2-CD2 4.41Å; V74-L109 HydrophobicContact CG1-CD2 4.38Å; V102-L109 HydrophobicContact CG2-CD2 3.63Å; E105-L109 WeakPolarHBondContact O-CG 3.33Å; E105-L109 PolarHBondContact O-N 3.4Å; L109-K111 VanDerWaalsContact C-N 3.25Å; L109-K111 PolarHBondContact O-N 3.42Å; L109-V112 WeakPolarHBondContact O-CB 3.25Å; L109-V112 PolarHBondContact O-N 2.83Å; L109-V112 VanDerWaalsContact O-N 3.11Å; L109-M113 WeakPolarHBondContact O-CG 3.36Å; L109-M113 PolarHBondContact O-N 3.37Å
110W88.9Confident87.9Confident147 Ų14757.7 Ų57.756%0.55728%0.278SS*.Hα-helixtrans-61.6-32.9172.8-177.1-100.2000112.5S106 E107 D108 V112 M113 Q114S106-W110 WeakPolarHBondContact O-CB 3.45Å; S106-W110 PolarHBondContact O-N 2.84Å; S106-W110 VanDerWaalsContact O-N 3.1Å; E107-W110 WeakPolarHBondContact O-CB 3.45Å; E107-W110 PolarHBondContact O-N 3.31Å; D108-W110 VanDerWaalsContact C-N 3.28Å; D108-W110 PolarHBondContact O-N 2.88Å; W110-V112 VanDerWaalsContact C-N 3.34Å; W110-M113 HydrophobicContact CE3-CE 4.24Å; W110-M113 HydrophobicContact CE3-SD 3.91Å; W110-M113 HydrophobicContact CZ3-CE 4.14Å; W110-M113 HydrophobicContact CZ3-SD 4.41Å; W110-M113 WeakPolarHBondContact O-CB 3.04Å; W110-M113 PolarHBondContact O-N 2.93Å; W110-Q114 VanDerWaalsContact NE1-NE2 3.1Å; W110-Q114 PolarHBondContact O-N 2.87Å
111K90.7Very high87.9Confident82 Ų8259.5 Ų59.536%0.35729%0.286SS..Hα-helixtrans-66.7-34.8173.4-64.8166.6-167.7154.70112F70 E107 D108 L109F70-K111 HydrophobicContact CD1-CB 4.4Å; F70-K111 HydrophobicContact CE1-CB 4.31Å; E107-K111 PolarHBondContact O-N 3.29Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 3.71Å; E107-K111 PolarHBondContact OE1-NZ 2.95Å; D108-K111 WeakPolarHBondContact O-CB 3.37Å; D108-K111 PolarHBondContact O-N 3.08Å; D108-K111 VanDerWaalsContact O-N 3.16Å; D108-K111 IonicContact OD1-NZ 3.35Å; D108-K111 PolarHBondContact OD1-NZ 3.5Å; L109-K111 VanDerWaalsContact C-N 3.25Å; L109-K111 PolarHBondContact O-N 3.42Å
112V91.4Very high88Confident0 Ų060.9 Ų60.90%030%0.295CS..Hα-helixtrans-66-43.1172.1-173.10000110.3F51 F70 V74 D108 L109 W110 Q114 A115 Y119F51-V112 HydrophobicContact CD1-CG1 3.85Å; F51-V112 HydrophobicContact CD2-CG1 3.82Å; F51-V112 HydrophobicContact CE1-CB 4.24Å; F51-V112 HydrophobicContact CE1-CG1 3.9Å; F51-V112 HydrophobicContact CE2-CB 4.12Å; F51-V112 HydrophobicContact CE2-CG1 3.86Å; F51-V112 HydrophobicContact CG-CG1 3.81Å; F51-V112 HydrophobicContact CZ-CB 3.95Å; F51-V112 HydrophobicContact CZ-CG1 3.91Å; F70-V112 HydrophobicContact CD1-CG2 4.04Å; F70-V112 HydrophobicContact CE1-CB 4.29Å; F70-V112 HydrophobicContact CE1-CG2 3.62Å; F70-V112 HydrophobicContact CE2-CG2 4.17Å; F70-V112 HydrophobicContact CG-CG2 4.48Å; F70-V112 HydrophobicContact CZ-CB 4.25Å; F70-V112 HydrophobicContact CZ-CG1 4.41Å; F70-V112 HydrophobicContact CZ-CG2 3.71Å; V74-V112 HydrophobicContact CG1-CG2 4.01Å; V74-V112 HydrophobicContact CG2-CG2 4Å; D108-V112 PolarHBondContact O-N 3.47Å; L109-V112 WeakPolarHBondContact O-CB 3.25Å; L109-V112 PolarHBondContact O-N 2.83Å; L109-V112 VanDerWaalsContact O-N 3.11Å; W110-V112 VanDerWaalsContact C-N 3.34Å; V112-Q114 PolarHBondContact O-N 3.31Å; V112-A115 PolarHBondContact O-N 3.11Å; V112-Y119 HydrophobicContact CG1-CD2 3.94Å; V112-Y119 HydrophobicContact CG1-CG 4.05Å
113M88.9Confident88Confident59 Ų5967.9 Ų67.929%0.29133%0.325SS..Hα-helixtrans-60.7-42.7177.3-67.8173.172.300111.7F51 L109 W110 A115 E116 E121F51-M113 HydrophobicContact CE1-CG 3.65Å; F51-M113 HydrophobicContact CZ-CG 3.92Å; L109-M113 WeakPolarHBondContact O-CG 3.36Å; L109-M113 PolarHBondContact O-N 3.37Å; W110-M113 HydrophobicContact CE3-CE 4.24Å; W110-M113 HydrophobicContact CE3-SD 3.91Å; W110-M113 HydrophobicContact CZ3-CE 4.14Å; W110-M113 HydrophobicContact CZ3-SD 4.41Å; W110-M113 WeakPolarHBondContact O-CB 3.04Å; W110-M113 PolarHBondContact O-N 2.93Å; M113-A115 PolarHBondContact O-N 3.2Å; M113-A115 VanDerWaalsContact O-N 3.16Å; M113-E116 WeakPolarHBondContact O-CG 2.97Å; M113-E116 PolarHBondContact O-N 3.25Å; M113-E121 WeakPolarHBondContact CE-OE2 3.39Å
114Q90.5Very high88.3Confident130 Ų13070.4 Ų70.461%0.60734%0.339SS*.Hα-helixtrans-61.7-23.1178-77.6-176.965.600113.9W110 V112 E116W110-Q114 VanDerWaalsContact NE1-NE2 3.1Å; W110-Q114 PolarHBondContact O-N 2.87Å; V112-Q114 PolarHBondContact O-N 3.31Å; Q114-E116 PolarHBondContact O-N 3.36Å
115A89.3Confident88.2Confident27 Ų2775.5 Ų75.522%0.22337%0.366CS..  trans-81.946173.800000111.9V112 M113 V117 Y118 Y119V112-A115 PolarHBondContact O-N 3.11Å; M113-A115 PolarHBondContact O-N 3.2Å; M113-A115 VanDerWaalsContact O-N 3.16Å; A115-V117 PolarHBondContact O-N 2.81Å; A115-V117 VanDerWaalsContact O-N 3.07Å; A115-Y118 HydrophobicContact CB-CD2 4.28Å; A115-Y118 PolarHBondContact O-N 2.86Å; A115-Y119 HydrophobicContact CB-CD2 3.83Å; A115-Y119 HydrophobicContact CB-CE2 4.22Å; A115-Y119 PolarHBondContact O-N 3.29Å
116E85.9Confident88.1Confident146 Ų14673.2 Ų73.268%0.68236%0.361SS*.THydrogen-bonded Turntrans-57.7-26-172.7-62.2-173.9167.400113.9L54 M113 Q114 Y118 Y119L54-E116 WeakPolarHBondContact CD1-O 3.46Å; M113-E116 WeakPolarHBondContact O-CG 2.97Å; M113-E116 PolarHBondContact O-N 3.25Å; Q114-E116 PolarHBondContact O-N 3.36Å; E116-Y118 PolarHBondContact O-N 3.42Å; E116-Y119 WeakPolarHBondContact CA-O 3.29Å
117V91.8Very high88.1Confident99 Ų9970.4 Ų70.460%0.634%0.339SS*.THydrogen-bonded Turntrans-61.5-33.3174.4-179.70000111.3A115A115-V117 PolarHBondContact O-N 2.81Å; A115-V117 VanDerWaalsContact O-N 3.07Å
118Y94.1Very high87.5Confident82 Ų8271.4 Ų71.432%0.32234%0.338SS..THydrogen-bonded Turntrans-104.7-34.7-174.8-55.6-59.6000112.7I53 L54 Q55 P57 A115 E116I53-Y118 CarbonylContact C-O 3.57Å; I53-Y118 WeakPolarHBondContact CA-O 3.49Å; L54-Y118 PolarHBondContact N-O 3.07Å; Q55-Y118 HydrophobicContact CB-CD1 4.34Å; Q55-Y118 WeakPolarHBondContact O-CA 3.43Å; Q55-Y118 WeakPolarHBondContact O-CB 3.37Å; Q55-Y118 WeakPolarHBondContact O-CD1 3.46Å; P57-Y118 VanDerWaalsContact CA-CE1 3.47Å; P57-Y118 HydrophobicContact CB-CD1 4.12Å; P57-Y118 HydrophobicContact CB-CD2 4.2Å; P57-Y118 HydrophobicContact CB-CE1 3.95Å; P57-Y118 HydrophobicContact CB-CE2 4.02Å; P57-Y118 HydrophobicContact CB-CG 4.24Å; P57-Y118 HydrophobicContact CG-CD1 3.82Å; P57-Y118 HydrophobicContact CG-CD2 3.77Å; P57-Y118 HydrophobicContact CG-CE1 4.17Å; P57-Y118 HydrophobicContact CG-CE2 4.11Å; P57-Y118 HydrophobicContact CG-CG 3.6Å; A115-Y118 HydrophobicContact CB-CD2 4.28Å; A115-Y118 PolarHBondContact O-N 2.86Å; E116-Y118 PolarHBondContact O-N 3.42Å
119Y94.8Very high86.6Confident8 Ų879.1 Ų79.13%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-131.3133-170.5-51.2-64.4000111.7Q52 I53 F66 F70 V112 A115 E116Q52-Y119 WeakPolarHBondContact O-CA 3.36Å; I53-Y119 HydrophobicContact CG1-CD1 4.36Å; I53-Y119 HydrophobicContact CG1-CE1 4.31Å; F66-Y119 HydrophobicContact CD2-CE1 4.26Å; F66-Y119 AromaticContact CD2-CZ 3.94Å; F66-Y119 WeakPolarHBondContact CD2-OH 3.41Å; F66-Y119 AromaticContact CE2-CE1 3.85Å; F66-Y119 HydrophobicContact CE2-CE1 3.85Å; F66-Y119 HydrophobicContact CE2-CE2 4.22Å; F66-Y119 AromaticContact CE2-CZ 3.65Å; F70-Y119 HydrophobicContact CZ-CE2 4.29Å; V112-Y119 HydrophobicContact CG1-CD2 3.94Å; V112-Y119 HydrophobicContact CG1-CG 4.05Å; A115-Y119 HydrophobicContact CB-CD2 3.83Å; A115-Y119 HydrophobicContact CB-CE2 4.22Å; A115-Y119 PolarHBondContact O-N 3.29Å; E116-Y119 WeakPolarHBondContact CA-O 3.29Å
120K94Very high85.6Confident125 Ų12580.3 Ų80.354%0.54338%0.377SS..EExtended strand (participates in β ladder)trans-120.5126172.6-178.8179.1179.4-179.40110.2F51 Q52 L54 V122F51-K120 CarbonylContact C-O 3.5Å; F51-K120 WeakPolarHBondContact CA-O 3.22Å; Q52-K120 PolarHBondContact N-O 3.31Å; Q52-K120 PolarHBondContact O-N 2.86Å; L54-K120 HydrophobicContact CD1-CB 4.04Å; L54-K120 HydrophobicContact CD2-CB 4.01Å; L54-K120 HydrophobicContact CG-CB 4.05Å; K120-V122 PolarHBondContact O-N 2.89Å
121E93.4Very high84.3Confident39 Ų3977.2 Ų77.218%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-64.3135.2174.5-165.8175.5-168.700110.9R49 S50 F51 M113 F123R49-E121 WeakPolarHBondContact CD-OE1 3.45Å; R49-E121 IonicContact NE-OE1 2.89Å; R49-E121 PolarHBondContact NE-OE1 3.06Å; S50-E121 CarbonylContact O-C 3.57Å; S50-E121 WeakPolarHBondContact O-CA 3.48Å; F51-E121 HydrophobicContact CD1-CB 4.05Å; F51-E121 HydrophobicContact CE1-CB 3.86Å; F51-E121 HydrophobicContact CE1-CG 4.17Å; M113-E121 WeakPolarHBondContact CE-OE2 3.39Å; E121-F123 HydrophobicContact CB-CE2 4.47Å; E121-F123 HydrophobicContact CG-CE1 4.21Å; E121-F123 HydrophobicContact CG-CE2 4.03Å; E121-F123 HydrophobicContact CG-CZ 3.72Å; E121-F123 WeakPolarHBondContact OE1-CE1 3.4Å; E121-F123 WeakPolarHBondContact OE1-CZ 3.33Å; E121-F123 WeakPolarHBondContact OE2-CZ 3.16Å
122V92.5Very high83.2Confident30 Ų3078.9 Ų78.918%0.18239%0.388CS..  trans-125.9135.3179.4-67.30000110.5S50 Q52 V99 K120 Y127S50-V122 WeakPolarHBondContact O-CG2 3.32Å; S50-V122 PolarHBondContact O-N 3.05Å; Q52-V122 HydrophobicContact CB-CG1 3.92Å; V99-V122 HydrophobicContact CG1-CG2 3.6Å; V99-V122 HydrophobicContact CG2-CG2 4.24Å; K120-V122 PolarHBondContact O-N 2.89Å; V122-Y127 HydrophobicContact CB-CE2 4.46Å; V122-Y127 HydrophobicContact CG2-CD2 3.72Å; V122-Y127 HydrophobicContact CG2-CE2 3.85Å
123F87.7Confident82.5Confident147 Ų14783.8 Ų83.865%0.64541%0.407SS*.  trans-112.583.8-179.3-56.4-84.9000109E121E121-F123 HydrophobicContact CB-CE2 4.47Å; E121-F123 HydrophobicContact CG-CE1 4.21Å; E121-F123 HydrophobicContact CG-CE2 4.03Å; E121-F123 HydrophobicContact CG-CZ 3.72Å; E121-F123 WeakPolarHBondContact OE1-CE1 3.4Å; E121-F123 WeakPolarHBondContact OE1-CZ 3.33Å; E121-F123 WeakPolarHBondContact OE2-CZ 3.16Å
124D84.1Confident81.9Confident64 Ų6484.4 Ų84.434%0.34241%0.414SS..  trans-132133.2174-173.4-29.6000108.5H83 A126 Y127H83-D124 IonicContact CD2-OD2 3.69Å; H83-D124 IonicContact NE2-OD2 3.55Å; D124-A126 PolarHBondContact O-N 3.47Å; D124-A126 VanDerWaalsContact OD1-CB 3.31Å; D124-A126 WeakPolarHBondContact OD1-CB 3.09Å; D124-A126 PolarHBondContact OD1-N 3.05Å; D124-Y127 HydrophobicContact CB-CD2 3.61Å; D124-Y127 HydrophobicContact CB-CE2 3.64Å; D124-Y127 PolarHBondContact O-N 2.91Å
125D77.5Confident81.4Confident106 Ų10678.8 Ų78.857%0.56739%0.388SS*.G310 helixtrans-61.2-23.9179.5-72.8-24.7000112.6Y127 R128D125-Y127 PolarHBondContact O-N 3.33Å; D125-R128 PolarHBondContact O-N 3.44Å; D125-R128 IonicContact OD1-CZ 2.65Å; D125-R128 IonicContact OD1-NE 3.48Å; D125-R128 IonicContact OD1-NH1 2.82Å; D125-R128 PolarHBondContact OD1-NH1 3.09Å
126A78.1Confident81.2Confident34 Ų3480 Ų8028%0.28139%0.389SS..G310 helixtrans-56.5-32.7172.400000112.4F80 D124F80-A126 WeakPolarHBondContact CE1-O 3.45Å; D124-A126 PolarHBondContact O-N 3.47Å; D124-A126 VanDerWaalsContact OD1-CB 3.31Å; D124-A126 WeakPolarHBondContact OD1-CB 3.09Å; D124-A126 PolarHBondContact OD1-N 3.05Å
127Y80Confident81.1Confident15 Ų1573 Ų736%0.05936%0.357CS..G310 helixtrans-92.3-8.8-177.7-50-50.2000113.8S50 F80 H83 V99 T101 V122 D124 D125S50-Y127 VanDerWaalsContact OG-CB 3.29Å; S50-Y127 WeakPolarHBondContact OG-CB 3.04Å; F80-Y127 HydrophobicContact CB-CD1 3.91Å; F80-Y127 HydrophobicContact CB-CE1 3.71Å; F80-Y127 AromaticContact CD1-CD1 3.72Å; F80-Y127 HydrophobicContact CD1-CD1 3.72Å; F80-Y127 HydrophobicContact CD1-CE1 4.06Å; F80-Y127 AromaticContact CD2-CD1 3.58Å; F80-Y127 HydrophobicContact CD2-CD1 3.58Å; F80-Y127 HydrophobicContact CD2-CE1 4.27Å; F80-Y127 HydrophobicContact CD2-CG 4.46Å; F80-Y127 HydrophobicContact CE1-CD1 4.07Å; F80-Y127 AromaticContact CE2-CD1 3.94Å; F80-Y127 HydrophobicContact CE2-CD1 3.94Å; F80-Y127 AromaticContact CG-CD1 3.46Å; F80-Y127 HydrophobicContact CG-CD1 3.46Å; F80-Y127 VanDerWaalsContact CG-CD1 3.46Å; F80-Y127 AromaticContact CG-CE1 3.78Å; F80-Y127 HydrophobicContact CG-CE1 3.78Å; F80-Y127 HydrophobicContact CZ-CD1 4.17Å; H83-Y127 AromaticContact CD2-CZ 3.66Å; H83-Y127 PolarHBondContact CD2-OH 2.73Å; H83-Y127 PolarHBondContact NE2-OH 3.33Å; V99-Y127 HydrophobicContact CB-CD1 4.2Å; V99-Y127 HydrophobicContact CB-CE1 3.94Å; V99-Y127 HydrophobicContact CB-CE2 4.46Å; V99-Y127 HydrophobicContact CG1-CD1 3.95Å; V99-Y127 HydrophobicContact CG1-CD2 3.92Å; V99-Y127 HydrophobicContact CG1-CE1 4.11Å; V99-Y127 HydrophobicContact CG1-CE2 4.13Å; V99-Y127 HydrophobicContact CG1-CG 3.86Å; V99-Y127 HydrophobicContact CG2-CE1 4.06Å; V99-Y127 HydrophobicContact CG2-CE2 4.09Å; T101-Y127 PolarHBondContact OG1-O 3.21Å; V122-Y127 HydrophobicContact CB-CE2 4.46Å; V122-Y127 HydrophobicContact CG2-CD2 3.72Å; V122-Y127 HydrophobicContact CG2-CE2 3.85Å; D124-Y127 HydrophobicContact CB-CD2 3.61Å; D124-Y127 HydrophobicContact CB-CE2 3.64Å; D124-Y127 PolarHBondContact O-N 2.91Å; D125-Y127 PolarHBondContact O-N 3.33Å
128R70.9Confident80.7Confident146 Ų14669 Ų6955%0.55133%0.331SS*.THydrogen-bonded Turntrans-85-14.1-179.7-67.3-179-179.2178.8-4.7113.7D125 I130D125-R128 PolarHBondContact O-N 3.44Å; D125-R128 IonicContact OD1-CZ 2.65Å; D125-R128 IonicContact OD1-NE 3.48Å; D125-R128 IonicContact OD1-NH1 2.82Å; D125-R128 PolarHBondContact OD1-NH1 3.09Å; R128-I130 VanDerWaalsContact C-N 3.28Å; R128-I130 PolarHBondContact O-N 3.17Å
129K66.6Low80.2Confident171 Ų17165.2 Ų65.274%0.74332%0.317SS*.  trans-80.373.2-178.8-63.8-177.9-176.91790110.9
130I66.1Low79.5Confident30 Ų3067.2 Ų67.215%0.15433%0.33CS..  trans-79.1122.7171.4-52.8176.7000108.1T48 Q77 T101 R128 L132T48-I130 HydrophobicContact CG2-CD1 3.41Å; T48-I130 VanDerWaalsContact CG2-CD1 3.41Å; Q77-I130 HydrophobicContact CB-CD1 4.02Å; Q77-I130 HydrophobicContact CB-CG2 4Å; Q77-I130 HydrophobicContact CG-CD1 4.38Å; T101-I130 HydrophobicContact CG2-CD1 3.48Å; T101-I130 VanDerWaalsContact CG2-CD1 3.48Å; T101-I130 HydrophobicContact CG2-CG1 3.75Å; R128-I130 VanDerWaalsContact C-N 3.28Å; R128-I130 PolarHBondContact O-N 3.17Å; I130-L132 PolarHBondContact O-N 3.39Å
131P61.9Low78.5Confident82 Ų8265.5 Ų65.553%0.53233%0.327SS..  trans-66.7109.417427.1-31.8000109.3
132L68.2Low77Confident116 Ų11669.1 Ų69.161%0.60735%0.351SS*.EExtended strand (participates in β ladder)trans-81.6129.8169.2-64.7177.1000108.8I130I130-L132 PolarHBondContact O-N 3.39Å
133R75.4Confident75.8Confident104 Ų10468.1 Ų68.139%0.39235%0.345SS..EExtended strand (participates in β ladder)trans-94.9125.8170.5-175.2175.8174.5179.6-1.6108.7V135 A183 G184 D186R133-V135 HydrophobicContact CG-CG2 3.98Å; R133-A183 WeakPolarHBondContact O-CA 3.44Å; R133-G184 PolarHBondContact N-O 3.45Å; R133-G184 PolarHBondContact O-N 2.82Å; R133-D186 HydrophobicContact CB-CB 4.38Å; R133-D186 WeakPolarHBondContact CD-OD1 3.44Å; R133-D186 IonicContact CZ-OD1 3.7Å; R133-D186 IonicContact NE-OD1 3.67Å; R133-D186 IonicContact NH1-OD1 3.62Å; R133-D186 PolarHBondContact NH1-OD1 3.45Å
134T77.6Confident74.6Confident72 Ų7264 Ų6444%0.44233%0.334SS..EExtended strand (participates in β ladder)trans-99.8128.9171.8-55.10000109.6I159 K181 I182T134-I159 HydrophobicContact CG2-CD1 3.95Å; T134-K181 HydrophobicContact CG2-CD 4.21Å; T134-K181 VanDerWaalsContact CG2-CE 3.42Å; T134-K181 HydrophobicContact CG2-CG 3.74Å; T134-I182 CarbonylContact C-O 3.59Å; T134-I182 VanDerWaalsContact CA-O 3.29Å; T134-I182 WeakPolarHBondContact CA-O 3.1Å
135V80.4Confident73.5Confident12 Ų1268.2 Ų68.27%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-131.2134.8177.9176.50000108.8R133 I182 V189 L193 A199R133-V135 HydrophobicContact CG-CG2 3.98Å; V135-I182 HydrophobicContact CB-CG1 4.36Å; V135-I182 PolarHBondContact N-O 2.99Å; V135-I182 WeakPolarHBondContact O-CG1 3.4Å; V135-I182 PolarHBondContact O-N 3.5Å; V135-V189 HydrophobicContact CB-CG1 4.15Å; V135-V189 HydrophobicContact CG2-CG1 3.65Å; V135-L193 HydrophobicContact CG1-CD1 4.22Å; V135-A199 HydrophobicContact CG1-CB 3.85Å
136E83.3Confident72.8Confident51 Ų5170 Ų7024%0.23836%0.356CS..EExtended strand (participates in β ladder)trans-91.7132.9164.6-170.7-178.6167.100108.2R179 L180 A199 V200 N202E136-R179 IonicContact OE1-NH1 2.79Å; E136-L180 CarbonylContact C-O 3.51Å; E136-L180 VanDerWaalsContact CA-O 3.29Å; E136-L180 WeakPolarHBondContact CA-O 3.35Å; E136-A199 CarbonylContact O-C 3.55Å; E136-A199 WeakPolarHBondContact O-CA 3.38Å; E136-V200 HydrophobicContact CB-CB 4.3Å; E136-V200 HydrophobicContact CG-CB 4.16Å; E136-V200 HydrophobicContact CG-CG2 4.07Å; E136-V200 PolarHBondContact O-N 2.87Å; E136-N202 PolarHBondContact OE2-ND2 2.87Å; E136-N202 VanDerWaalsContact OE2-ND2 3.09Å
137L84.2Confident72.5Confident0 Ų069.3 Ų69.30%035%0.35CS..EExtended strand (participates in β ladder)trans-135.6152.1-179.56686.5000111L139 R179 L180 I182 L193 L196 Y198L137-L139 HydrophobicContact CD1-CD2 3.76Å; L137-L139 HydrophobicContact CD1-CG 4.3Å; L137-R179 CarbonylContact O-C 3.57Å; L137-R179 VanDerWaalsContact O-CA 3.3Å; L137-R179 WeakPolarHBondContact O-CA 3.34Å; L137-L180 HydrophobicContact CD1-CB 4.2Å; L137-L180 HydrophobicContact CD1-CD1 4.33Å; L137-L180 HydrophobicContact CG-CB 4.33Å; L137-L180 PolarHBondContact N-O 2.8Å; L137-L180 PolarHBondContact O-N 3.04Å; L137-I182 HydrophobicContact CD2-CD1 3.51Å; L137-I182 HydrophobicContact CD2-CG1 3.85Å; L137-I182 HydrophobicContact CD2-CG2 4.4Å; L137-L193 HydrophobicContact CB-CD1 3.84Å; L137-L193 HydrophobicContact CD2-CD1 3.7Å; L137-L193 HydrophobicContact CG-CD1 4.43Å; L137-L196 HydrophobicContact CD1-CB 4.15Å; L137-L196 HydrophobicContact CD2-CB 4.26Å; L137-L196 HydrophobicContact CD2-CD1 3.73Å; L137-Y198 CarbonylContact C-O 3.03Å; L137-Y198 WeakPolarHBondContact CA-O 3.37Å; L137-Y198 WeakPolarHBondContact CB-O 3.44Å
138M83Confident71.9Confident14 Ų1469.8 Ų69.87%0.06935%0.354CS..EExtended strand (participates in β ladder)trans-100.8125.9169.2-173.9-179.676.800108.8D178 G197 Y198 V200 A256M138-D178 WeakPolarHBondContact CA-O 3.4Å; M138-G197 WeakPolarHBondContact O-CA 3.5Å; M138-Y198 PolarHBondContact N-O 3.47Å; M138-Y198 PolarHBondContact O-N 2.89Å; M138-Y198 VanDerWaalsContact O-N 3.15Å; M138-V200 HydrophobicContact CB-CG2 4.36Å; M138-A256 HydrophobicContact CB-CB 4.45Å; M138-A256 HydrophobicContact CE-CB 4.05Å; M138-A256 HydrophobicContact SD-CB 3.99Å
139L83.8Confident71.7Confident3 Ų365.1 Ų65.12%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-66.8135.1177.8-70.2179.2000111.2L137 F143 L174 G177 D178 L180 L196L137-L139 HydrophobicContact CD1-CD2 3.76Å; L137-L139 HydrophobicContact CD1-CG 4.3Å; L139-F143 HydrophobicContact CD1-CB 3.92Å; L139-F143 HydrophobicContact CD1-CD2 4.26Å; L139-F143 HydrophobicContact CD1-CG 4.23Å; L139-F143 HydrophobicContact CD2-CD2 4.03Å; L139-L174 HydrophobicContact CD1-CB 3.97Å; L139-L174 HydrophobicContact CD1-CD1 4.42Å; L139-L174 HydrophobicContact CD1-CD2 4.22Å; L139-L174 HydrophobicContact CD1-CG 4.44Å; L139-G177 PolarHBondContact O-N 3.36Å; L139-D178 HydrophobicContact CD1-CB 4.33Å; L139-D178 PolarHBondContact N-O 3.1Å; L139-L180 HydrophobicContact CD1-CD1 3.36Å; L139-L180 HydrophobicContact CD2-CD1 3.8Å; L139-L180 HydrophobicContact CG-CD1 3.3Å; L139-L196 WeakPolarHBondContact CA-O 3.45Å; L139-L196 HydrophobicContact CD2-CB 4.14Å; L139-L196 HydrophobicContact CD2-CD2 4.47Å
140T80.4Confident71.9Confident50 Ų5059.3 Ų59.331%0.30732%0.323SS..  trans-106.5-27.3173.156.70000112.4L196 G197 Y198T140-L196 PolarHBondContact N-O 3.04Å; T140-L196 PolarHBondContact OG1-O 3.38Å; T140-G197 VanDerWaalsContact OG1-CA 3.32Å; T140-G197 WeakPolarHBondContact OG1-CA 3.49Å; T140-Y198 HydrophobicContact CG2-CD2 3.39Å; T140-Y198 HydrophobicContact CG2-CE2 3.36Å; T140-Y198 HydrophobicContact CG2-CG 4.48Å
141N72.8Confident72.3Confident90 Ų9058.1 Ų58.148%0.48132%0.316SS..SBendtrans-109.6154.2-176.4-64.8-36.3000111F143 T195N141-F143 PolarHBondContact O-N 3.26Å; N141-T195 PolarHBondContact ND2-O 3.14Å
142V62.8Low72.7Confident115 Ų11556.9 Ų56.970%0.69731%0.305SS*.  trans-62.9123.7174.4179.40000108.4S144 P176V142-S144 PolarHBondContact O-N 3.04Å; V142-P176 HydrophobicContact CG2-CG 4Å
143F67.9Low72.6Confident9 Ų955.4 Ų55.44%0.03930%0.298CS..  trans-88.9106.5-175.4-163.9-97.2000108.6L139 N141 A147 L148 L151 L174 L196L139-F143 HydrophobicContact CD1-CB 3.92Å; L139-F143 HydrophobicContact CD1-CD2 4.26Å; L139-F143 HydrophobicContact CD1-CG 4.23Å; L139-F143 HydrophobicContact CD2-CD2 4.03Å; N141-F143 PolarHBondContact O-N 3.26Å; F143-A147 HydrophobicContact CD1-CB 4.33Å; F143-A147 HydrophobicContact CD2-CB 3.64Å; F143-A147 HydrophobicContact CE1-CB 4.3Å; F143-A147 HydrophobicContact CE2-CB 3.54Å; F143-A147 HydrophobicContact CG-CB 4.03Å; F143-A147 HydrophobicContact CZ-CB 3.89Å; F143-L148 HydrophobicContact CD1-CG 4.35Å; F143-L148 HydrophobicContact CE1-CB 4.43Å; F143-L148 HydrophobicContact CE1-CD1 4.49Å; F143-L148 HydrophobicContact CE1-CD2 3.42Å; F143-L148 VanDerWaalsContact CE1-CD2 3.42Å; F143-L148 HydrophobicContact CE1-CG 3.46Å; F143-L148 VanDerWaalsContact CE1-CG 3.46Å; F143-L148 HydrophobicContact CZ-CD2 3.88Å; F143-L148 HydrophobicContact CZ-CG 4.13Å; F143-L151 HydrophobicContact CE2-CD1 4.07Å; F143-L151 HydrophobicContact CE2-CG 4.48Å; F143-L151 HydrophobicContact CZ-CD1 3.61Å; F143-L151 HydrophobicContact CZ-CG 4.2Å; F143-L174 HydrophobicContact CB-CB 3.65Å; F143-L174 HydrophobicContact CD1-CB 3.81Å; F143-L174 HydrophobicContact CD1-CD1 3.47Å; F143-L174 VanDerWaalsContact CD1-CD1 3.47Å; F143-L174 HydrophobicContact CD1-CG 4.26Å; F143-L174 HydrophobicContact CE1-CD1 3.61Å; F143-L174 HydrophobicContact CG-CB 3.99Å; F143-L174 HydrophobicContact CG-CD1 4.04Å; F143-L174 HydrophobicContact CZ-CD1 4.38Å; F143-L196 HydrophobicContact CD2-CD2 4.05Å; F143-L196 HydrophobicContact CE2-CD2 3.59Å
144S61.8Low72.5Confident61 Ų6152.1 Ų52.143%0.42729%0.286SS..  trans-91.4167.3-178.469.80000111.3V142 H146 A147 L148V142-S144 PolarHBondContact O-N 3.04Å; S144-H146 PolarHBondContact O-N 3.05Å; S144-H146 VanDerWaalsContact O-N 3.1Å; S144-H146 PolarHBondContact OG-N 2.97Å; S144-A147 WeakPolarHBondContact O-CA 3.39Å; S144-A147 VanDerWaalsContact O-CB 3.32Å; S144-A147 WeakPolarHBondContact O-CB 3.4Å; S144-A147 PolarHBondContact O-N 3.42Å; S144-A147 PolarHBondContact OG-N 3.04Å; S144-L148 PolarHBondContact O-N 3.47Å
145H60.3Low72.1Confident151 Ų15149.6 Ų49.670%0.69927%0.271SS*.Hα-helixtrans-54.3-29.6171.1-150.378.8000112.3L148 S149H145-L148 PolarHBondContact O-N 2.96Å; H145-S149 PolarHBondContact O-N 3.32Å
146H63.6Low71.9Confident143 Ų14349.3 Ų49.366%0.66227%0.268SS*.Hα-helixtrans-69.2-34.1175.2-162.960000112.5S144 L148 S149 T150S144-H146 PolarHBondContact O-N 3.05Å; S144-H146 VanDerWaalsContact O-N 3.1Å; S144-H146 PolarHBondContact OG-N 2.97Å; H146-L148 VanDerWaalsContact C-N 3.34Å; H146-S149 WeakPolarHBondContact O-CB 3.37Å; H146-S149 PolarHBondContact O-N 2.67Å; H146-T150 PolarHBondContact O-N 3.45Å; H146-T150 PolarHBondContact O-OG1 3.19Å
147A70.8Confident71.3Confident20 Ų2050.7 Ų50.717%0.16528%0.28CS..Hα-helixtrans-66.3-36.1175.800000112F143 S144 T150 L151F143-A147 HydrophobicContact CD1-CB 4.33Å; F143-A147 HydrophobicContact CD2-CB 3.64Å; F143-A147 HydrophobicContact CE1-CB 4.3Å; F143-A147 HydrophobicContact CE2-CB 3.54Å; F143-A147 HydrophobicContact CG-CB 4.03Å; F143-A147 HydrophobicContact CZ-CB 3.89Å; S144-A147 WeakPolarHBondContact O-CA 3.39Å; S144-A147 VanDerWaalsContact O-CB 3.32Å; S144-A147 WeakPolarHBondContact O-CB 3.4Å; S144-A147 PolarHBondContact O-N 3.42Å; S144-A147 PolarHBondContact OG-N 3.04Å; A147-T150 PolarHBondContact O-N 3.06Å; A147-L151 WeakPolarHBondContact O-CG 3.4Å; A147-L151 PolarHBondContact O-N 2.82Å
148L67.7Low71Confident25 Ų2551.5 Ų51.513%0.13129%0.285CS..Hα-helixtrans-60.3-46.3171.2-76.2171.9000111.5F143 S144 H145 H146 T150 L151 I152 L171F143-L148 HydrophobicContact CD1-CG 4.35Å; F143-L148 HydrophobicContact CE1-CB 4.43Å; F143-L148 HydrophobicContact CE1-CD1 4.49Å; F143-L148 HydrophobicContact CE1-CD2 3.42Å; F143-L148 VanDerWaalsContact CE1-CD2 3.42Å; F143-L148 HydrophobicContact CE1-CG 3.46Å; F143-L148 VanDerWaalsContact CE1-CG 3.46Å; F143-L148 HydrophobicContact CZ-CD2 3.88Å; F143-L148 HydrophobicContact CZ-CG 4.13Å; S144-L148 PolarHBondContact O-N 3.47Å; H145-L148 PolarHBondContact O-N 2.96Å; H146-L148 VanDerWaalsContact C-N 3.34Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 2.92Å; L148-L151 PolarHBondContact O-N 3.21Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 3.31Å; L148-L171 HydrophobicContact CD1-CB 4.35Å; L148-L171 HydrophobicContact CD2-CB 4Å; L148-L171 HydrophobicContact CD2-CD1 4.19Å
149S67.2Low70.6Confident49 Ų4955 Ų5534%0.34330%0.303SS..Hα-helixtrans-57.6-46.1175.1-165.30000110.8H145 H146 L151 I152 D153H145-S149 PolarHBondContact O-N 3.32Å; H146-S149 WeakPolarHBondContact O-CB 3.37Å; H146-S149 PolarHBondContact O-N 2.67Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.83Å; S149-I152 WeakPolarHBondContact O-CB 3.28Å; S149-I152 PolarHBondContact O-N 3.03Å; S149-I152 VanDerWaalsContact O-N 3.08Å; S149-D153 WeakPolarHBondContact O-CB 3.21Å; S149-D153 PolarHBondContact O-N 3.41Å; S149-D153 VanDerWaalsContact O-OD2 3.13Å
150T71Confident70.2Confident49 Ų4957.5 Ų57.530%0.30132%0.316SS..Hα-helixtrans-59.8-38.4177.7-50.60000112.5H146 A147 L148 E154H146-T150 PolarHBondContact O-N 3.45Å; H146-T150 PolarHBondContact O-OG1 3.19Å; A147-T150 PolarHBondContact O-N 3.06Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 2.92Å; T150-E154 HydrophobicContact CG2-CG 4.45Å; T150-E154 WeakPolarHBondContact O-CB 3.48Å; T150-E154 VanDerWaalsContact O-CG 3.24Å; T150-E154 WeakPolarHBondContact O-CG 3.22Å; T150-E154 PolarHBondContact O-N 2.88Å
151L75.2Confident70.3Confident4 Ų455.2 Ų55.22%0.02130%0.303CS..Hα-helixtrans-64.6-43.2174.7-67.3-171.7000111.6F143 A147 L148 S149 E154 N155 I156 V158 V192 L196F143-L151 HydrophobicContact CE2-CD1 4.07Å; F143-L151 HydrophobicContact CE2-CG 4.48Å; F143-L151 HydrophobicContact CZ-CD1 3.61Å; F143-L151 HydrophobicContact CZ-CG 4.2Å; A147-L151 WeakPolarHBondContact O-CG 3.4Å; A147-L151 PolarHBondContact O-N 2.82Å; L148-L151 PolarHBondContact O-N 3.21Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.83Å; L151-E154 CarbonylContact O-C 3.55Å; L151-E154 PolarHBondContact O-N 3.44Å; L151-N155 PolarHBondContact O-N 2.81Å; L151-I156 HydrophobicContact CB-CB 4.25Å; L151-I156 HydrophobicContact CD2-CB 4.14Å; L151-I156 HydrophobicContact CD2-CD1 4.32Å; L151-I156 HydrophobicContact CD2-CG2 4.02Å; L151-I156 PolarHBondContact O-N 3.11Å; L151-V158 HydrophobicContact CD1-CG2 3.67Å; L151-V192 HydrophobicContact CD2-CB 4.44Å; L151-V192 HydrophobicContact CD2-CG2 4.25Å; L151-L196 HydrophobicContact CD2-CD1 3.76Å; L151-L196 HydrophobicContact CD2-CD2 4.23Å
152I68.6Low70.8Confident57 Ų5752.3 Ų52.329%0.29229%0.288SS..Hα-helixtrans-61.8-48.4177.3-64.5163.8000109.9L42 M46 L148 S149 E154 N155L42-I152 HydrophobicContact CD2-CD1 3.59Å; L42-I152 HydrophobicContact CD2-CG1 3.59Å; M46-I152 VanDerWaalsContact SD-O 3.34Å; L148-I152 WeakPolarHBondContact O-CG1 3.27Å; L148-I152 PolarHBondContact O-N 3.31Å; S149-I152 WeakPolarHBondContact O-CB 3.28Å; S149-I152 PolarHBondContact O-N 3.03Å; S149-I152 VanDerWaalsContact O-N 3.08Å; I152-E154 PolarHBondContact O-N 3.44Å; I152-N155 WeakPolarHBondContact O-CA 3.39Å; I152-N155 PolarHBondContact O-N 2.79Å
153D67.7Low71.8Confident85 Ų8551.1 Ų51.146%0.45527%0.271SS..Hα-helixtrans-59.5-35.7179.7-60.3-24.2000111.6S149 N155S149-D153 WeakPolarHBondContact O-CB 3.21Å; S149-D153 PolarHBondContact O-N 3.41Å; S149-D153 VanDerWaalsContact O-OD2 3.13Å; D153-N155 VanDerWaalsContact C-N 3.32Å
154E72.9Confident72Confident34 Ų3457.8 Ų57.816%0.15931%0.307CS..THydrogen-bonded Turntrans-87.11.8176.7-64.6-69.9164.600113.2T150 L151 I152 I156 S188 K191 V192T150-E154 HydrophobicContact CG2-CG 4.45Å; T150-E154 WeakPolarHBondContact O-CB 3.48Å; T150-E154 VanDerWaalsContact O-CG 3.24Å; T150-E154 WeakPolarHBondContact O-CG 3.22Å; T150-E154 PolarHBondContact O-N 2.88Å; L151-E154 CarbonylContact O-C 3.55Å; L151-E154 PolarHBondContact O-N 3.44Å; I152-E154 PolarHBondContact O-N 3.44Å; E154-I156 HydrophobicContact CB-CD1 4.02Å; E154-I156 HydrophobicContact CB-CG1 4.19Å; E154-S188 WeakPolarHBondContact O-CB 3.32Å; E154-S188 PolarHBondContact O-OG 3.35Å; E154-K191 WeakPolarHBondContact OE1-CE 3.45Å; E154-K191 IonicContact OE1-NZ 3.49Å; E154-K191 PolarHBondContact OE1-NZ 3.41Å; E154-K191 IonicContact OE2-NZ 2.75Å; E154-V192 HydrophobicContact CB-CG1 3.94Å; E154-V192 HydrophobicContact CG-CG1 3.75Å
155N68.3Low72.4Confident20 Ų2058.2 Ų58.211%0.10732%0.322CS..THydrogen-bonded Turntrans59.546.7-177.8-62.1-90.7000114.6M46 L103 L151 I152 D153 P185M46-N155 WeakPolarHBondContact CB-OD1 3.41Å; M46-N155 WeakPolarHBondContact CE-ND2 3.43Å; M46-N155 PolarHBondContact SD-ND2 3.26Å; M46-N155 PolarHBondContact SD-OD1 2.94Å; L103-N155 VanDerWaalsContact CD1-OD1 3.3Å; L103-N155 WeakPolarHBondContact CD1-OD1 3.3Å; L103-N155 HydrophobicContact CD2-CB 3.22Å; L103-N155 VanDerWaalsContact CD2-ND2 3.28Å; L103-N155 WeakPolarHBondContact CD2-ND2 3.27Å; L103-N155 WeakPolarHBondContact CD2-OD1 3.47Å; L103-N155 HydrophobicContact CG-CB 4.08Å; L103-N155 VanDerWaalsContact CG-ND2 3.31Å; L103-N155 WeakPolarHBondContact CG-ND2 3.35Å; L103-N155 WeakPolarHBondContact CG-OD1 3.1Å; L151-N155 PolarHBondContact O-N 2.81Å; I152-N155 WeakPolarHBondContact O-CA 3.39Å; I152-N155 PolarHBondContact O-N 2.79Å; D153-N155 VanDerWaalsContact C-N 3.32Å; N155-P185 WeakPolarHBondContact O-CD 3.38Å
156I76.4Confident73.2Confident5 Ų558.9 Ų58.93%0.02632%0.322CS..  trans-111.3117.1178.8-61.4178.2000107.6L151 E154 I182 V192L151-I156 HydrophobicContact CB-CB 4.25Å; L151-I156 HydrophobicContact CD2-CB 4.14Å; L151-I156 HydrophobicContact CD2-CD1 4.32Å; L151-I156 HydrophobicContact CD2-CG2 4.02Å; L151-I156 PolarHBondContact O-N 3.11Å; E154-I156 HydrophobicContact CB-CD1 4.02Å; E154-I156 HydrophobicContact CB-CG1 4.19Å; I156-I182 HydrophobicContact CG2-CB 3.63Å; I156-I182 HydrophobicContact CG2-CD1 3.83Å; I156-I182 HydrophobicContact CG2-CG1 4.25Å; I156-I182 HydrophobicContact CG2-CG2 4.05Å; I156-V192 HydrophobicContact CD1-CB 3.92Å; I156-V192 HydrophobicContact CD1-CG1 3.55Å; I156-V192 HydrophobicContact CD1-CG2 3.09Å
157V70.4Confident73.9Confident81 Ų8159 Ų5949%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-92.2129.8176.5-178.80000108.4I159 I182 A183V157-I159 PolarHBondContact O-N 3.2Å; V157-I182 CarbonylContact O-C 3.54Å; V157-I182 VanDerWaalsContact O-CA 3.28Å; V157-I182 WeakPolarHBondContact O-CA 3.28Å; V157-A183 PolarHBondContact N-O 2.77Å; V157-A183 PolarHBondContact O-N 2.98Å
158V79.2Confident74.2Confident16 Ų1658.8 Ų58.810%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-79.8109.3166.1-177.20000107.3L151 A161 L171 L180 I182L151-V158 HydrophobicContact CD1-CG2 3.67Å; V158-A161 HydrophobicContact CG1-CB 4.39Å; V158-L171 HydrophobicContact CB-CD1 4Å; V158-L171 HydrophobicContact CG1-CD1 4.15Å; V158-L171 HydrophobicContact CG1-CD2 4.08Å; V158-L171 HydrophobicContact CG2-CD1 4.26Å; V158-L180 HydrophobicContact CG1-CD2 3.94Å; V158-L180 HydrophobicContact CG1-CG 4.47Å; V158-L180 HydrophobicContact CG2-CD2 4.03Å; V158-I182 HydrophobicContact CG2-CG2 4.26Å
159I74Confident74.4Confident87 Ų8761.3 Ų61.345%0.44633%0.328SS..EExtended strand (participates in β ladder)trans-74.7-43.9175.9-63.9173.6000109.9T134 V157 K181 A183T134-I159 HydrophobicContact CG2-CD1 3.95Å; V157-I159 PolarHBondContact O-N 3.2Å; I159-K181 HydrophobicContact CB-CB 4.41Å; I159-K181 HydrophobicContact CB-CG 4.35Å; I159-K181 WeakPolarHBondContact CB-O 2.92Å; I159-K181 HydrophobicContact CD1-CG 4.45Å; I159-K181 HydrophobicContact CG2-CD 4.45Å; I159-K181 PolarHBondContact N-O 2.9Å; I159-A183 HydrophobicContact CD1-CB 3.5Å; I159-A183 VanDerWaalsContact CD1-CB 3.5Å; I159-A183 HydrophobicContact CG1-CB 4.06Å
160D76.1Confident74.9Confident56 Ų5661.8 Ų61.830%0.29933%0.327SS..EExtended strand (participates in β ladder)trans-152151.6-176.6-163.124.8000110.8K167 L180 K181D160-K167 VanDerWaalsContact OD1-CE 3.31Å; D160-K167 WeakPolarHBondContact OD1-CE 3.49Å; D160-L180 CarbonylContact O-C 3.6Å; D160-L180 WeakPolarHBondContact O-CA 3.39Å; D160-K181 HydrophobicContact CB-CB 4.16Å; D160-K181 PolarHBondContact N-O 2.7Å; D160-K181 PolarHBondContact O-N 2.65Å
161A82.6Confident75.2Confident2 Ų260.4 Ų60.42%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-139.5131.4176.100000108.7V158 K167 I168 L171 L174 R179 L180V158-A161 HydrophobicContact CG1-CB 4.39Å; A161-K167 CarbonylContact O-C 3.59Å; A161-K167 WeakPolarHBondContact O-CA 3.33Å; A161-I168 HydrophobicContact CB-CB 4Å; A161-I168 HydrophobicContact CB-CD1 4.43Å; A161-I168 PolarHBondContact O-N 3.21Å; A161-L171 HydrophobicContact CB-CD2 3.59Å; A161-L174 HydrophobicContact CB-CD2 4.15Å; A161-R179 CarbonylContact C-O 3.21Å; A161-R179 WeakPolarHBondContact CA-O 3.44Å; A161-L180 HydrophobicContact CB-CG 4.27Å
162T82.5Confident75.1Confident29 Ų2963 Ų6318%0.17834%0.336CS..EExtended strand (participates in β ladder)trans-136.8142-177.461.20000112.6K166 R179T162-K166 CarbonylContact C-O 3.59Å; T162-K166 WeakPolarHBondContact CA-O 3.31Å; T162-K166 WeakPolarHBondContact CB-O 3.3Å; T162-R179 PolarHBondContact N-O 2.95Å; T162-R179 PolarHBondContact O-N 2.82Å
163R83.9Confident75.5Confident91 Ų9163.4 Ų63.434%0.34334%0.341SS..EExtended strand (participates in β ladder)trans-121.3122.1168.8-176.6177.9-60.3153.28.4108.2G165 K166 I168 T173 T175 D178R163-G165 PolarHBondContact O-N 2.98Å; R163-G165 VanDerWaalsContact O-N 3.09Å; R163-K166 PolarHBondContact N-O 3.26Å; R163-K166 PolarHBondContact O-N 2.97Å; R163-I168 HydrophobicContact CB-CD1 3.86Å; R163-I168 HydrophobicContact CB-CG1 4.06Å; R163-T173 PolarHBondContact NH2-O 3.5Å; R163-T175 PolarHBondContact NH2-OG1 2.86Å; R163-T175 VanDerWaalsContact NH2-OG1 3.07Å; R163-D178 WeakPolarHBondContact CB-OD1 3.32Å; R163-D178 WeakPolarHBondContact CG-OD1 3.34Å; R163-D178 IonicContact CZ-OD1 3.64Å; R163-D178 IonicContact CZ-OD2 3.56Å; R163-D178 IonicContact NE-OD1 2.69Å; R163-D178 PolarHBondContact NE-OD1 3.35Å; R163-D178 IonicContact NE-OD2 3.92Å; R163-D178 IonicContact NH2-OD1 2.84Å; R163-D178 IonicContact NH2-OD2 3.86Å; R163-D178 PolarHBondContact NH2-OD2 3.44Å
164D72.5Confident76.2Confident148 Ų14859.6 Ų59.679%0.79132%0.321SS*.THydrogen-bonded Turntrans50.436.8-178.6-57.7-41.8000113.5K166D164-K166 VanDerWaalsContact C-N 3.25Å; D164-K166 PolarHBondContact O-N 3.43Å
165G69.6Low76.7Confident71 Ų7160.6 Ų60.673%0.73233%0.329SS*.THydrogen-bonded Turntrans78.5-3.3-178.800000115.5R163R163-G165 PolarHBondContact O-N 2.98Å; R163-G165 VanDerWaalsContact O-N 3.09Å
166K77.5Confident77.4Confident164 Ų16462.8 Ų62.871%0.71334%0.344SS*.EExtended strand (participates in β ladder)trans-91.1139.3171.5-64.7-174.8179.1-1760110.4T162 R163 D164T162-K166 CarbonylContact C-O 3.59Å; T162-K166 WeakPolarHBondContact CA-O 3.31Å; T162-K166 WeakPolarHBondContact CB-O 3.3Å; R163-K166 PolarHBondContact N-O 3.26Å; R163-K166 PolarHBondContact O-N 2.97Å; D164-K166 VanDerWaalsContact C-N 3.25Å; D164-K166 PolarHBondContact O-N 3.43Å
167K77.3Confident77.4Confident145 Ų14564.4 Ų64.463%0.6336%0.362SS*.EExtended strand (participates in β ladder)trans-67.7138177.3-168.9171.9-177-175.40110.9D160 A161D160-K167 VanDerWaalsContact OD1-CE 3.31Å; D160-K167 WeakPolarHBondContact OD1-CE 3.49Å; A161-K167 CarbonylContact O-C 3.59Å; A161-K167 WeakPolarHBondContact O-CA 3.33Å
168I78Confident78.1Confident17 Ų1760.7 Ų60.79%0.08734%0.34CS..  trans-100.5112.1173.9-56.1171.7000106.8A161 R163 N170 L174 D178A161-I168 HydrophobicContact CB-CB 4Å; A161-I168 HydrophobicContact CB-CD1 4.43Å; A161-I168 PolarHBondContact O-N 3.21Å; R163-I168 HydrophobicContact CB-CD1 3.86Å; R163-I168 HydrophobicContact CB-CG1 4.06Å; I168-N170 WeakPolarHBondContact CG2-O 3.41Å; I168-L174 HydrophobicContact CD1-CD2 3.6Å; I168-L174 HydrophobicContact CG2-CD2 4.42Å; I168-D178 HydrophobicContact CD1-CB 3.95Å; I168-D178 WeakPolarHBondContact CD1-OD2 3.46Å
169E72.2Confident78.4Confident78 Ų7864.1 Ų64.136%0.36435%0.351SS..SBendtrans-82.8-42.8179.3-56.6-173.7161.100111.4D35 N38 L171D35-E169 VanDerWaalsContact O-OE2 3.12Å; N38-E169 HydrophobicContact CB-CB 3.64Å; E169-L171 PolarHBondContact O-N 2.72Å
170N77.4Confident78.9Confident59 Ų5960 Ų6032%0.31633%0.33SS..  trans-89.496.9177.5-173.4-7.9000111.5I168 S172 T173I168-N170 WeakPolarHBondContact CG2-O 3.41Å; N170-S172 VanDerWaalsContact CG-OG 3.26Å; N170-S172 PolarHBondContact ND2-OG 2.92Å; N170-S172 PolarHBondContact O-N 2.91Å; N170-S172 VanDerWaalsContact O-N 3.09Å; N170-S172 WeakPolarHBondContact OD1-CB 3.39Å; N170-S172 PolarHBondContact OD1-N 3.35Å; N170-S172 PolarHBondContact OD1-OG 3.37Å; N170-T173 HydrophobicContact CB-CG2 4.18Å; N170-T173 PolarHBondContact O-N 3.49Å; N170-T173 PolarHBondContact O-OG1 3.39Å
171L76Confident79.1Confident20 Ų2061.9 Ų61.911%0.10534%0.336CS..G310 helixtrans-62-15.9179.9-56.9-179.2000114.2L42 L148 V158 A161 E169 T173 L174L42-L171 HydrophobicContact CD1-CD1 4.2Å; L148-L171 HydrophobicContact CD1-CB 4.35Å; L148-L171 HydrophobicContact CD2-CB 4Å; L148-L171 HydrophobicContact CD2-CD1 4.19Å; V158-L171 HydrophobicContact CB-CD1 4Å; V158-L171 HydrophobicContact CG1-CD1 4.15Å; V158-L171 HydrophobicContact CG1-CD2 4.08Å; V158-L171 HydrophobicContact CG2-CD1 4.26Å; A161-L171 HydrophobicContact CB-CD2 3.59Å; E169-L171 PolarHBondContact O-N 2.72Å; L171-T173 PolarHBondContact O-N 3.26Å; L171-L174 HydrophobicContact CB-CD1 4.13Å; L171-L174 HydrophobicContact CD2-CD1 4.22Å; L171-L174 WeakPolarHBondContact O-CB 3.1Å; L171-L174 VanDerWaalsContact O-CD1 3.29Å; L171-L174 WeakPolarHBondContact O-CD1 3.18Å; L171-L174 VanDerWaalsContact O-CG 3.23Å; L171-L174 WeakPolarHBondContact O-CG 3.28Å; L171-L174 PolarHBondContact O-N 2.85Å
172S73.5Confident79.1Confident59 Ų5961.8 Ų61.841%0.41334%0.335SS..G310 helixtrans-72.4-12.217470.60000113.6N170N170-S172 VanDerWaalsContact CG-OG 3.26Å; N170-S172 PolarHBondContact ND2-OG 2.92Å; N170-S172 PolarHBondContact O-N 2.91Å; N170-S172 VanDerWaalsContact O-N 3.09Å; N170-S172 WeakPolarHBondContact OD1-CB 3.39Å; N170-S172 PolarHBondContact OD1-N 3.35Å; N170-S172 PolarHBondContact OD1-OG 3.37Å
173T78Confident78.4Confident65 Ų6561 Ų6140%0.39933%0.331SS..G310 helixtrans-96.49.2179.468.10000113.5R163 N170 L171R163-T173 PolarHBondContact NH2-O 3.5Å; N170-T173 HydrophobicContact CB-CG2 4.18Å; N170-T173 PolarHBondContact O-N 3.49Å; N170-T173 PolarHBondContact O-OG1 3.39Å; L171-T173 PolarHBondContact O-N 3.26Å
174L82.8Confident77.9Confident4 Ų456.7 Ų56.72%0.02132%0.315CS..  trans-63.3136-178.7-78.2171.9000111.9L139 F143 A161 I168 L171 D178 L180L139-L174 HydrophobicContact CD1-CB 3.97Å; L139-L174 HydrophobicContact CD1-CD1 4.42Å; L139-L174 HydrophobicContact CD1-CD2 4.22Å; L139-L174 HydrophobicContact CD1-CG 4.44Å; F143-L174 HydrophobicContact CB-CB 3.65Å; F143-L174 HydrophobicContact CD1-CB 3.81Å; F143-L174 HydrophobicContact CD1-CD1 3.47Å; F143-L174 VanDerWaalsContact CD1-CD1 3.47Å; F143-L174 HydrophobicContact CD1-CG 4.26Å; F143-L174 HydrophobicContact CE1-CD1 3.61Å; F143-L174 HydrophobicContact CG-CB 3.99Å; F143-L174 HydrophobicContact CG-CD1 4.04Å; F143-L174 HydrophobicContact CZ-CD1 4.38Å; A161-L174 HydrophobicContact CB-CD2 4.15Å; I168-L174 HydrophobicContact CD1-CD2 3.6Å; I168-L174 HydrophobicContact CG2-CD2 4.42Å; L171-L174 HydrophobicContact CB-CD1 4.13Å; L171-L174 HydrophobicContact CD2-CD1 4.22Å; L171-L174 WeakPolarHBondContact O-CB 3.1Å; L171-L174 VanDerWaalsContact O-CD1 3.29Å; L171-L174 WeakPolarHBondContact O-CD1 3.18Å; L171-L174 VanDerWaalsContact O-CG 3.23Å; L171-L174 WeakPolarHBondContact O-CG 3.28Å; L171-L174 PolarHBondContact O-N 2.85Å; L174-D178 WeakPolarHBondContact CA-OD2 3.2Å; L174-D178 HydrophobicContact CD2-CB 3.89Å; L174-L180 HydrophobicContact CD1-CD1 4.35Å; L174-L180 HydrophobicContact CD1-CD2 3.77Å; L174-L180 HydrophobicContact CD1-CG 4.4Å; L174-L180 HydrophobicContact CD2-CD1 4.05Å; L174-L180 HydrophobicContact CD2-CG 4.46Å
175T82.7Confident77.9Confident56 Ų5650 Ų5034%0.34428%0.28SS..  trans-130.1158-176.854.20000111.1R163 G177 D178R163-T175 PolarHBondContact NH2-OG1 2.86Å; R163-T175 VanDerWaalsContact NH2-OG1 3.07Å; T175-G177 PolarHBondContact O-N 3.46Å; T175-D178 PolarHBondContact N-OD2 2.97Å; T175-D178 WeakPolarHBondContact O-CB 3.35Å; T175-D178 VanDerWaalsContact O-CG 3.26Å; T175-D178 PolarHBondContact O-N 3.33Å; T175-D178 VanDerWaalsContact O-N 3.12Å; T175-D178 PolarHBondContact OG1-OD1 3.32Å; T175-D178 PolarHBondContact OG1-OD2 3.44Å
176P82.4Confident78.1Confident65 Ų6549.3 Ų49.342%0.42226%0.259SS..THydrogen-bonded Turntrans-52.5134.4171.3-25.334.7000111.6V142V142-P176 HydrophobicContact CG2-CG 4Å
177G77Confident78Confident39 Ų3944.6 Ų44.640%0.40224%0.237SC..THydrogen-bonded Turntrans99.2-18.8-17500000114.4L139 T175L139-G177 PolarHBondContact O-N 3.36Å; T175-G177 PolarHBondContact O-N 3.46Å
178D84.7Confident78.1Confident3 Ų337.8 Ų37.82%0.01621%0.208CC..  trans-66.7146.9174.5-64.4-20.5000110.5M138 L139 R163 I168 L174 T175M138-D178 WeakPolarHBondContact CA-O 3.4Å; L139-D178 HydrophobicContact CD1-CB 4.33Å; L139-D178 PolarHBondContact N-O 3.1Å; R163-D178 WeakPolarHBondContact CB-OD1 3.32Å; R163-D178 WeakPolarHBondContact CG-OD1 3.34Å; R163-D178 IonicContact CZ-OD1 3.64Å; R163-D178 IonicContact CZ-OD2 3.56Å; R163-D178 IonicContact NE-OD1 2.69Å; R163-D178 PolarHBondContact NE-OD1 3.35Å; R163-D178 IonicContact NE-OD2 3.92Å; R163-D178 IonicContact NH2-OD1 2.84Å; R163-D178 IonicContact NH2-OD2 3.86Å; R163-D178 PolarHBondContact NH2-OD2 3.44Å; I168-D178 HydrophobicContact CD1-CB 3.95Å; I168-D178 WeakPolarHBondContact CD1-OD2 3.46Å; L174-D178 WeakPolarHBondContact CA-OD2 3.2Å; L174-D178 HydrophobicContact CD2-CB 3.89Å; T175-D178 PolarHBondContact N-OD2 2.97Å; T175-D178 WeakPolarHBondContact O-CB 3.35Å; T175-D178 VanDerWaalsContact O-CG 3.26Å; T175-D178 PolarHBondContact O-N 3.33Å; T175-D178 VanDerWaalsContact O-N 3.12Å; T175-D178 PolarHBondContact OG1-OD1 3.32Å; T175-D178 PolarHBondContact OG1-OD2 3.44Å
179R84.6Confident78.2Confident88 Ų8837 Ų3733%0.33220%0.204SC..EExtended strand (participates in β ladder)trans-101.8128.1177.7-63-177.5-179.5-149.6-0.4110.2E136 L137 A161 T162E136-R179 IonicContact OE1-NH1 2.79Å; L137-R179 CarbonylContact O-C 3.57Å; L137-R179 VanDerWaalsContact O-CA 3.3Å; L137-R179 WeakPolarHBondContact O-CA 3.34Å; A161-R179 CarbonylContact C-O 3.21Å; A161-R179 WeakPolarHBondContact CA-O 3.44Å; T162-R179 PolarHBondContact N-O 2.95Å; T162-R179 PolarHBondContact O-N 2.82Å
180L85.1Confident78.7Confident1 Ų139 Ų391%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117.6136.7175.3-72.185.9000110.6E136 L137 L139 V158 D160 A161 L174 I182E136-L180 CarbonylContact C-O 3.51Å; E136-L180 VanDerWaalsContact CA-O 3.29Å; E136-L180 WeakPolarHBondContact CA-O 3.35Å; L137-L180 HydrophobicContact CD1-CB 4.2Å; L137-L180 HydrophobicContact CD1-CD1 4.33Å; L137-L180 HydrophobicContact CG-CB 4.33Å; L137-L180 PolarHBondContact N-O 2.8Å; L137-L180 PolarHBondContact O-N 3.04Å; L139-L180 HydrophobicContact CD1-CD1 3.36Å; L139-L180 HydrophobicContact CD2-CD1 3.8Å; L139-L180 HydrophobicContact CG-CD1 3.3Å; V158-L180 HydrophobicContact CG1-CD2 3.94Å; V158-L180 HydrophobicContact CG1-CG 4.47Å; V158-L180 HydrophobicContact CG2-CD2 4.03Å; D160-L180 CarbonylContact O-C 3.6Å; D160-L180 WeakPolarHBondContact O-CA 3.39Å; A161-L180 HydrophobicContact CB-CG 4.27Å; L174-L180 HydrophobicContact CD1-CD1 4.35Å; L174-L180 HydrophobicContact CD1-CD2 3.77Å; L174-L180 HydrophobicContact CD1-CG 4.4Å; L174-L180 HydrophobicContact CD2-CD1 4.05Å; L174-L180 HydrophobicContact CD2-CG 4.46Å; L180-I182 HydrophobicContact CB-CG2 4.21Å
181K80.5Confident79Confident96 Ų9642.4 Ų42.442%0.41722%0.223SC..EExtended strand (participates in β ladder)trans-98.8109.4164.7-168.9173.3-177.5175.50108.1T134 I159 D160T134-K181 HydrophobicContact CG2-CD 4.21Å; T134-K181 VanDerWaalsContact CG2-CE 3.42Å; T134-K181 HydrophobicContact CG2-CG 3.74Å; I159-K181 HydrophobicContact CB-CB 4.41Å; I159-K181 HydrophobicContact CB-CG 4.35Å; I159-K181 WeakPolarHBondContact CB-O 2.92Å; I159-K181 HydrophobicContact CD1-CG 4.45Å; I159-K181 HydrophobicContact CG2-CD 4.45Å; I159-K181 PolarHBondContact N-O 2.9Å; D160-K181 HydrophobicContact CB-CB 4.16Å; D160-K181 PolarHBondContact N-O 2.7Å; D160-K181 PolarHBondContact O-N 2.65Å
182I81.9Confident79.3Confident0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-106.7147.7178.961.6164.3000110.7T134 V135 L137 I156 V157 V158 L180 V189 V192 L196T134-I182 CarbonylContact C-O 3.59Å; T134-I182 VanDerWaalsContact CA-O 3.29Å; T134-I182 WeakPolarHBondContact CA-O 3.1Å; V135-I182 HydrophobicContact CB-CG1 4.36Å; V135-I182 PolarHBondContact N-O 2.99Å; V135-I182 WeakPolarHBondContact O-CG1 3.4Å; V135-I182 PolarHBondContact O-N 3.5Å; L137-I182 HydrophobicContact CD2-CD1 3.51Å; L137-I182 HydrophobicContact CD2-CG1 3.85Å; L137-I182 HydrophobicContact CD2-CG2 4.4Å; I156-I182 HydrophobicContact CG2-CB 3.63Å; I156-I182 HydrophobicContact CG2-CD1 3.83Å; I156-I182 HydrophobicContact CG2-CG1 4.25Å; I156-I182 HydrophobicContact CG2-CG2 4.05Å; V157-I182 CarbonylContact O-C 3.54Å; V157-I182 VanDerWaalsContact O-CA 3.28Å; V157-I182 WeakPolarHBondContact O-CA 3.28Å; V158-I182 HydrophobicContact CG2-CG2 4.26Å; L180-I182 HydrophobicContact CB-CG2 4.21Å; I182-V189 HydrophobicContact CD1-CG1 4.3Å; I182-V192 HydrophobicContact CD1-CG2 4.32Å; I182-L196 HydrophobicContact CD1-CD1 4.33Å
183A69.8Low79.8Confident12 Ų1240.4 Ų40.410%0.09921%0.208CC..EExtended strand (participates in β ladder)trans-133.1137.8170.100000110.9R133 V157 I159R133-A183 WeakPolarHBondContact O-CA 3.44Å; V157-A183 PolarHBondContact N-O 2.77Å; V157-A183 PolarHBondContact O-N 2.98Å; I159-A183 HydrophobicContact CD1-CB 3.5Å; I159-A183 VanDerWaalsContact CD1-CB 3.5Å; I159-A183 HydrophobicContact CG1-CB 4.06Å
184G73.3Confident80Confident1 Ų142.1 Ų42.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-173.5-176.7177.600000109.9R133R133-G184 PolarHBondContact N-O 3.45Å; R133-G184 PolarHBondContact O-N 2.82Å
185P72.1Confident79.9Confident7 Ų746 Ų465%0.04524%0.244CC..EExtended strand (participates in β ladder)trans-63.3146.9173.5-17.930.3000112.2Q77 L103 N155 R187 S188 V189Q77-P185 VanDerWaalsContact CD-CG 3.49Å; Q77-P185 HydrophobicContact CG-CG 4.36Å; L103-P185 HydrophobicContact CD2-CG 4.03Å; N155-P185 WeakPolarHBondContact O-CD 3.38Å; P185-R187 PolarHBondContact O-N 3.41Å; P185-R187 VanDerWaalsContact O-N 3.14Å; P185-S188 PolarHBondContact O-N 3.37Å; P185-S188 VanDerWaalsContact O-N 3.09Å; P185-V189 WeakPolarHBondContact O-CG2 3.31Å; P185-V189 PolarHBondContact O-N 3.18Å
186D74Confident79.9Confident56 Ų5643.9 Ų43.930%0.29923%0.23SC..Hα-helixtrans-56.1-36.7-173.4179.763.4000113.2R133 K190R133-D186 HydrophobicContact CB-CB 4.38Å; R133-D186 WeakPolarHBondContact CD-OD1 3.44Å; R133-D186 IonicContact CZ-OD1 3.7Å; R133-D186 IonicContact NE-OD1 3.67Å; R133-D186 IonicContact NH1-OD1 3.62Å; R133-D186 PolarHBondContact NH1-OD1 3.45Å; D186-K190 WeakPolarHBondContact O-CB 3.13Å; D186-K190 VanDerWaalsContact O-CG 3.3Å; D186-K190 WeakPolarHBondContact O-CG 3.46Å; D186-K190 PolarHBondContact O-N 3.4Å; D186-K190 WeakPolarHBondContact OD1-CE 3.28Å; D186-K190 IonicContact OD1-NZ 3.55Å; D186-K190 WeakPolarHBondContact OD2-CE 3.27Å; D186-K190 IonicContact OD2-NZ 2.83Å; D186-K190 PolarHBondContact OD2-NZ 3.38Å
187R75.7Confident79.8Confident65 Ų6541.1 Ų41.125%0.24521%0.214CC..Hα-helixtrans-65-48.6176.5-75.8-174169.8-162.4-1.2112.6E67 F88 D89 P185 K190 K191E67-R187 IonicContact OE1-NH1 2.97Å; F88-R187 PolarHBondContact O-NH2 3.44Å; D89-R187 PolarHBondContact O-NH2 3.45Å; P185-R187 PolarHBondContact O-N 3.41Å; P185-R187 VanDerWaalsContact O-N 3.14Å; R187-K190 PolarHBondContact O-N 3.17Å; R187-K191 WeakPolarHBondContact O-CB 3.5Å; R187-K191 PolarHBondContact O-N 3.13Å
188S78.4Confident79.9Confident3 Ų345.5 Ų45.52%0.02122%0.219CC..Hα-helixtrans-60.2-47.6178.3-56.90000110.9E154 P185 K190 K191 V192E154-S188 WeakPolarHBondContact O-CB 3.32Å; E154-S188 PolarHBondContact O-OG 3.35Å; P185-S188 PolarHBondContact O-N 3.37Å; P185-S188 VanDerWaalsContact O-N 3.09Å; S188-K190 PolarHBondContact O-N 2.89Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.25Å; S188-K191 VanDerWaalsContact O-N 3.12Å; S188-V192 PolarHBondContact O-N 2.88Å
189V80.3Confident79.6Confident1 Ų147.1 Ų47.11%0.00623%0.233CC..Hα-helixtrans-59.4-47.5178.5174.70000110.7V135 I182 P185 K191 V192 L193V135-V189 HydrophobicContact CB-CG1 4.15Å; V135-V189 HydrophobicContact CG2-CG1 3.65Å; I182-V189 HydrophobicContact CD1-CG1 4.3Å; P185-V189 WeakPolarHBondContact O-CG2 3.31Å; P185-V189 PolarHBondContact O-N 3.18Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 3.06Å; V189-V192 PolarHBondContact O-N 3.25Å; V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 PolarHBondContact O-N 3.28Å
190K82.5Confident79Confident120 Ų12043.9 Ų43.952%0.52222%0.223SC..Hα-helixtrans-61.6-33.3177-77.9172.8175.9165.90113.1D186 R187 S188 P194D186-K190 WeakPolarHBondContact O-CB 3.13Å; D186-K190 VanDerWaalsContact O-CG 3.3Å; D186-K190 WeakPolarHBondContact O-CG 3.46Å; D186-K190 PolarHBondContact O-N 3.4Å; D186-K190 WeakPolarHBondContact OD1-CE 3.28Å; D186-K190 IonicContact OD1-NZ 3.55Å; D186-K190 WeakPolarHBondContact OD2-CE 3.27Å; D186-K190 IonicContact OD2-NZ 2.83Å; D186-K190 PolarHBondContact OD2-NZ 3.38Å; R187-K190 PolarHBondContact O-N 3.17Å; S188-K190 PolarHBondContact O-N 2.89Å; K190-P194 WeakPolarHBondContact O-CD 3.2Å
191K82.9Confident78Confident129 Ų12947.1 Ų47.156%0.56124%0.24SC*.Hα-helixtrans-73.7-42.5-179.1-173.2-177.9174.6-165.30112.3E154 R187 S188 V189E154-K191 WeakPolarHBondContact OE1-CE 3.45Å; E154-K191 IonicContact OE1-NZ 3.49Å; E154-K191 PolarHBondContact OE1-NZ 3.41Å; E154-K191 IonicContact OE2-NZ 2.75Å; R187-K191 WeakPolarHBondContact O-CB 3.5Å; R187-K191 PolarHBondContact O-N 3.13Å; S188-K191 WeakPolarHBondContact O-CB 3.46Å; S188-K191 PolarHBondContact O-N 3.25Å; S188-K191 VanDerWaalsContact O-N 3.12Å; V189-K191 VanDerWaalsContact C-N 3.27Å; V189-K191 PolarHBondContact O-N 3.06Å
192V83.2Confident77.2Confident4 Ų447.8 Ų47.82%0.02425%0.248CC..Hα-helixtrans-84.7-26.1-178.6-55.60000113.6L151 E154 I156 I182 S188 V189 P194 T195 L196L151-V192 HydrophobicContact CD2-CB 4.44Å; L151-V192 HydrophobicContact CD2-CG2 4.25Å; E154-V192 HydrophobicContact CB-CG1 3.94Å; E154-V192 HydrophobicContact CG-CG1 3.75Å; I156-V192 HydrophobicContact CD1-CB 3.92Å; I156-V192 HydrophobicContact CD1-CG1 3.55Å; I156-V192 HydrophobicContact CD1-CG2 3.09Å; I182-V192 HydrophobicContact CD1-CG2 4.32Å; S188-V192 PolarHBondContact O-N 2.88Å; V189-V192 PolarHBondContact O-N 3.25Å; V192-P194 VanDerWaalsContact C-CD 3.49Å; V192-P194 VanDerWaalsContact C-N 3.33Å; V192-T195 PolarHBondContact O-N 2.89Å; V192-T195 PolarHBondContact O-OG1 3.21Å; V192-L196 HydrophobicContact CB-CD1 4.11Å; V192-L196 HydrophobicContact CB-CG 4.42Å; V192-L196 HydrophobicContact CG2-CD1 3.7Å; V192-L196 HydrophobicContact CG2-CG 4.5Å; V192-L196 WeakPolarHBondContact O-CG 3.15Å; V192-L196 PolarHBondContact O-N 2.9Å; V192-L196 VanDerWaalsContact O-N 3.15Å
193L83.1Confident76.3Confident34 Ų3449.4 Ų49.418%0.17826%0.26CS..Hα-helixtrans-53-46.7-172.3-175.169.4000112V135 L137 V189 T195 L196 G197 A199V135-L193 HydrophobicContact CG1-CD1 4.22Å; L137-L193 HydrophobicContact CB-CD1 3.84Å; L137-L193 HydrophobicContact CD2-CD1 3.7Å; L137-L193 HydrophobicContact CG-CD1 4.43Å; V189-L193 WeakPolarHBondContact O-CB 3.43Å; V189-L193 PolarHBondContact O-N 3.28Å; L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 2.88Å; L193-L196 PolarHBondContact O-N 3.41Å; L193-G197 PolarHBondContact O-N 3.38Å; L193-A199 HydrophobicContact CD1-CB 4.23Å; L193-A199 HydrophobicContact CD2-CB 3.94Å
194P82.3Confident76.2Confident100 Ų10053.5 Ų53.565%0.64929%0.288SS*.Hα-helixtrans-63.8-23.5177.9-21.734.7000115.3K190 V192K190-P194 WeakPolarHBondContact O-CD 3.2Å; V192-P194 VanDerWaalsContact C-CD 3.49Å; V192-P194 VanDerWaalsContact C-N 3.33Å
195T81.5Confident76.6Confident85 Ų8559.7 Ų59.752%0.52132%0.316SS..Hα-helixtrans-85.2-27.5179.165.30000112.1N141 V192 L193N141-T195 PolarHBondContact ND2-O 3.14Å; V192-T195 PolarHBondContact O-N 2.89Å; V192-T195 PolarHBondContact O-OG1 3.21Å; L193-T195 VanDerWaalsContact C-N 3.26Å; L193-T195 PolarHBondContact O-N 2.88Å
196L83.2Confident77.2Confident12 Ų1261 Ų616%0.06332%0.324CS..Hα-helixtrans-84.1-48.4179.7-61.5175.2000112.6L137 L139 T140 F143 L151 I182 V192 L193L137-L196 HydrophobicContact CD1-CB 4.15Å; L137-L196 HydrophobicContact CD2-CB 4.26Å; L137-L196 HydrophobicContact CD2-CD1 3.73Å; L139-L196 WeakPolarHBondContact CA-O 3.45Å; L139-L196 HydrophobicContact CD2-CB 4.14Å; L139-L196 HydrophobicContact CD2-CD2 4.47Å; T140-L196 PolarHBondContact N-O 3.04Å; T140-L196 PolarHBondContact OG1-O 3.38Å; F143-L196 HydrophobicContact CD2-CD2 4.05Å; F143-L196 HydrophobicContact CE2-CD2 3.59Å; L151-L196 HydrophobicContact CD2-CD1 3.76Å; L151-L196 HydrophobicContact CD2-CD2 4.23Å; I182-L196 HydrophobicContact CD1-CD1 4.33Å; V192-L196 HydrophobicContact CB-CD1 4.11Å; V192-L196 HydrophobicContact CB-CG 4.42Å; V192-L196 HydrophobicContact CG2-CD1 3.7Å; V192-L196 HydrophobicContact CG2-CG 4.5Å; V192-L196 WeakPolarHBondContact O-CG 3.15Å; V192-L196 PolarHBondContact O-N 2.9Å; V192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 3.41Å
197G80.3Confident77.9Confident7 Ų760.5 Ų60.57%0.07232%0.321CS..EExtended strand (participates in β ladder)trans158.3-146.6-17700000113.8M138 T140 L193M138-G197 WeakPolarHBondContact O-CA 3.5Å; T140-G197 VanDerWaalsContact OG1-CA 3.32Å; T140-G197 WeakPolarHBondContact OG1-CA 3.49Å; L193-G197 PolarHBondContact O-N 3.38Å
198Y79.3Confident78.6Confident131 Ų13161.2 Ų61.251%0.51433%0.333SS..EExtended strand (participates in β ladder)trans-102.5135.3-175.6-59.2-74.9000110.3L137 M138 T140 V200L137-Y198 CarbonylContact C-O 3.03Å; L137-Y198 WeakPolarHBondContact CA-O 3.37Å; L137-Y198 WeakPolarHBondContact CB-O 3.44Å; M138-Y198 PolarHBondContact N-O 3.47Å; M138-Y198 PolarHBondContact O-N 2.89Å; M138-Y198 VanDerWaalsContact O-N 3.15Å; T140-Y198 HydrophobicContact CG2-CD2 3.39Å; T140-Y198 HydrophobicContact CG2-CE2 3.36Å; T140-Y198 HydrophobicContact CG2-CG 4.48Å; Y198-V200 PolarHBondContact O-N 3.39Å
199A78.1Confident79.3Confident37 Ų3765.9 Ų65.931%0.30636%0.361SS..EExtended strand (participates in β ladder)trans-58.2130.5164.300000108.7V135 E136 L193 D201V135-A199 HydrophobicContact CG1-CB 3.85Å; E136-A199 CarbonylContact O-C 3.55Å; E136-A199 WeakPolarHBondContact O-CA 3.38Å; L193-A199 HydrophobicContact CD1-CB 4.23Å; L193-A199 HydrophobicContact CD2-CB 3.94Å; A199-D201 PolarHBondContact O-N 2.99Å
200V71Confident79.8Confident20 Ų2067.1 Ų67.112%0.12137%0.367CS..PPolyproline II helixtrans-67.1119.3166.3178.80000105.5E136 M138 Y198 N202E136-V200 HydrophobicContact CB-CB 4.3Å; E136-V200 HydrophobicContact CG-CB 4.16Å; E136-V200 HydrophobicContact CG-CG2 4.07Å; E136-V200 PolarHBondContact O-N 2.87Å; M138-V200 HydrophobicContact CB-CG2 4.36Å; Y198-V200 PolarHBondContact O-N 3.39Å; V200-N202 PolarHBondContact O-N 2.98Å
201D65.2Low80.2Confident69 Ų6963.4 Ų63.437%0.36935%0.352SS..  trans-68100.4178.9-172.814.7000108.8A199 S203 N260A199-D201 PolarHBondContact O-N 2.99Å; D201-S203 WeakPolarHBondContact OD1-CA 3.18Å; D201-S203 WeakPolarHBondContact OD1-CB 3.39Å; D201-S203 PolarHBondContact OD1-N 3.25Å; D201-S203 PolarHBondContact OD1-OG 3.39Å; D201-S203 PolarHBondContact OD2-OG 2.96Å; D201-N260 PolarHBondContact O-ND2 2.98Å; D201-N260 VanDerWaalsContact O-ND2 3.15Å; D201-N260 PolarHBondContact O-OD1 3.41Å; D201-N260 VanDerWaalsContact O-OD1 3.09Å
202N62.5Low80.7Confident110 Ų11059.6 Ų59.659%0.58834%0.342SS*.  trans-91.221.4171.9-76-35.4000110.8E136 V200E136-N202 PolarHBondContact OE2-ND2 2.87Å; E136-N202 VanDerWaalsContact OE2-ND2 3.09Å; V200-N202 PolarHBondContact O-N 2.98Å
203S64Low81.3Confident34 Ų3463.4 Ų63.424%0.23836%0.361CS..  trans-53147.6172.664.60000110.2D201 E205 N260D201-S203 WeakPolarHBondContact OD1-CA 3.18Å; D201-S203 WeakPolarHBondContact OD1-CB 3.39Å; D201-S203 PolarHBondContact OD1-N 3.25Å; D201-S203 PolarHBondContact OD1-OG 3.39Å; D201-S203 PolarHBondContact OD2-OG 2.96Å; S203-E205 PolarHBondContact O-N 2.75Å; S203-N260 PolarHBondContact O-ND2 3.29Å; S203-N260 VanDerWaalsContact O-ND2 3.11Å; S203-N260 PolarHBondContact OG-ND2 2.86Å
204S67.7Low81.7Confident98 Ų9862.2 Ų62.269%0.68536%0.357SS*.SBendtrans-70.9-1.7169.8500000112.4P262S204-P262 VanDerWaalsContact C-CG 3.42Å; S204-P262 VanDerWaalsContact O-CG 3.28Å; S204-P262 WeakPolarHBondContact O-CG 3.28Å
205E81.1Confident82.2Confident132 Ų13262 Ų6262%0.61735%0.349SS*.  trans-85.2135.3-177.6-60.9-55.5145.200110.4S203 N260 P262S203-E205 PolarHBondContact O-N 2.75Å; E205-N260 PolarHBondContact O-ND2 3.43Å; E205-P262 WeakPolarHBondContact O-CD 3.45Å
206T85.4Confident82.8Confident33 Ų3361.8 Ų61.820%0.20235%0.348CS..  trans-93.7129.8173.1-57.30000108.4V208 M211 N260 I261 P262 T265T206-V208 HydrophobicContact CG2-CG2 4.27Å; T206-V208 PolarHBondContact O-N 3.01Å; T206-M211 HydrophobicContact CG2-CE 4.3Å; T206-M211 HydrophobicContact CG2-SD 4.26Å; T206-N260 WeakPolarHBondContact CA-O 3.44Å; T206-I261 HydrophobicContact CG2-CG1 4.26Å; T206-I261 HydrophobicContact CG2-CG2 4.12Å; T206-P262 WeakPolarHBondContact OG1-CD 3.4Å; T206-T265 HydrophobicContact CG2-CG2 4.45Å
207D88.4Confident83.3Confident46 Ų4664.6 Ų64.625%0.24636%0.362CS..  trans-7280167.4-172.2-16.2000109.1T209 F210 M211 G259 N260D207-T209 PolarHBondContact O-N 3.41Å; D207-T209 PolarHBondContact OD1-N 2.81Å; D207-F210 HydrophobicContact CB-CB 4.13Å; D207-F210 PolarHBondContact O-N 3.47Å; D207-F210 WeakPolarHBondContact OD1-CB 3.44Å; D207-F210 PolarHBondContact OD1-N 3.5Å; D207-F210 WeakPolarHBondContact OD2-CB 3.33Å; D207-M211 WeakPolarHBondContact O-CB 3.4Å; D207-M211 PolarHBondContact O-N 3.15Å; D207-G259 PolarHBondContact OD2-N 3.3Å; D207-N260 PolarHBondContact N-O 3.14Å
208V90.9Very high83.8Confident80 Ų8064.3 Ų64.349%0.48536%0.36SS..Hα-helixtrans-61.2-32-177.3179.30000110.9T206 M211 S212T206-V208 HydrophobicContact CG2-CG2 4.27Å; T206-V208 PolarHBondContact O-N 3.01Å; V208-M211 HydrophobicContact CG1-CE 4.41Å; V208-S212 WeakPolarHBondContact O-CB 3.14Å; V208-S212 PolarHBondContact O-N 3.48Å; V208-S212 PolarHBondContact O-OG 3.05Å
209T92.4Very high84.4Confident101 Ų10162.6 Ų62.662%0.6236%0.359SS*.Hα-helixtrans-64.5-54177.7-57.70000110.6D207 M211 S212 I213D207-T209 PolarHBondContact O-N 3.41Å; D207-T209 PolarHBondContact OD1-N 2.81Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.29Å; T209-S212 PolarHBondContact O-N 2.92Å; T209-I213 HydrophobicContact CG2-CD1 3.93Å; T209-I213 VanDerWaalsContact O-CG1 3.27Å; T209-I213 WeakPolarHBondContact O-CG1 3.14Å; T209-I213 PolarHBondContact O-N 3.41Å
210F90.8Very high85.1Confident28 Ų2865.3 Ų65.312%0.12337%0.368CS..Hα-helixtrans-60.9-43.7178.6-172.2-89.6000111.8D207 I213 G214 F248 Y251 Q252 L258 G259D207-F210 HydrophobicContact CB-CB 4.13Å; D207-F210 PolarHBondContact O-N 3.47Å; D207-F210 WeakPolarHBondContact OD1-CB 3.44Å; D207-F210 PolarHBondContact OD1-N 3.5Å; D207-F210 WeakPolarHBondContact OD2-CB 3.33Å; F210-I213 PolarHBondContact O-N 3.26Å; F210-G214 PolarHBondContact O-N 3.18Å; F210-F248 HydrophobicContact CD1-CD1 4.4Å; F210-F248 HydrophobicContact CD2-CD1 4.48Å; F210-F248 HydrophobicContact CE1-CB 3.92Å; F210-F248 AromaticContact CE1-CD1 3.73Å; F210-F248 HydrophobicContact CE1-CD1 3.73Å; F210-F248 HydrophobicContact CE1-CG 4.22Å; F210-F248 AromaticContact CE2-CD1 3.81Å; F210-F248 HydrophobicContact CE2-CD1 3.81Å; F210-F248 HydrophobicContact CE2-CE1 4.24Å; F210-F248 HydrophobicContact CZ-CB 4.12Å; F210-F248 AromaticContact CZ-CD1 3.42Å; F210-F248 HydrophobicContact CZ-CD1 3.42Å; F210-F248 VanDerWaalsContact CZ-CD1 3.42Å; F210-F248 HydrophobicContact CZ-CE1 4.29Å; F210-F248 HydrophobicContact CZ-CG 4.23Å; F210-Y251 AromaticContact CE2-CD1 3.78Å; F210-Y251 HydrophobicContact CE2-CD1 3.78Å; F210-Y251 HydrophobicContact CE2-CE1 4.17Å; F210-Y251 HydrophobicContact CZ-CD1 4.01Å; F210-Q252 HydrophobicContact CZ-CB 4.46Å; F210-L258 HydrophobicContact CE2-CB 4.46Å; F210-G259 VanDerWaalsContact CG-CA 3.43Å
211M91.4Very high85.9Confident41 Ų4166.3 Ų66.320%0.20237%0.372CS..Hα-helixtrans-61.1-47.2176.8-177.6-178.866.200112T206 D207 V208 T209 G214 I215 I261 L269T206-M211 HydrophobicContact CG2-CE 4.3Å; T206-M211 HydrophobicContact CG2-SD 4.26Å; D207-M211 WeakPolarHBondContact O-CB 3.4Å; D207-M211 PolarHBondContact O-N 3.15Å; V208-M211 HydrophobicContact CG1-CE 4.41Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.29Å; M211-G214 PolarHBondContact O-N 3.48Å; M211-I215 HydrophobicContact CG-CD1 4.03Å; M211-I215 WeakPolarHBondContact O-CG1 3.4Å; M211-I215 PolarHBondContact O-N 3.14Å; M211-I261 HydrophobicContact CB-CD1 4.28Å; M211-I261 HydrophobicContact CG-CD1 4.19Å; M211-I261 HydrophobicContact SD-CD1 4.28Å; M211-L269 HydrophobicContact SD-CD1 3.66Å
212S93.6Very high86.9Confident50 Ų5063.1 Ų63.135%0.3536%0.355SS..Hα-helixtrans-66.7-39.4-178.1-58.50000111.6V208 T209 G214 I215 V216V208-S212 WeakPolarHBondContact O-CB 3.14Å; V208-S212 PolarHBondContact O-N 3.48Å; V208-S212 PolarHBondContact O-OG 3.05Å; T209-S212 PolarHBondContact O-N 2.92Å; S212-G214 VanDerWaalsContact C-N 3.32Å; S212-G214 PolarHBondContact O-N 2.85Å; S212-I215 PolarHBondContact O-N 2.85Å; S212-V216 WeakPolarHBondContact O-CB 3.32Å; S212-V216 VanDerWaalsContact O-CG2 3.3Å; S212-V216 WeakPolarHBondContact O-CG2 3.33Å; S212-V216 PolarHBondContact O-N 2.83Å
213I94.7Very high88.1Confident83 Ų8362.2 Ų62.243%0.42635%0.354SS..Hα-helixtrans-60.8-44.2172.6-68.5167.5000110.2T209 F210 I215 V216 L217 F248T209-I213 HydrophobicContact CG2-CD1 3.93Å; T209-I213 VanDerWaalsContact O-CG1 3.27Å; T209-I213 WeakPolarHBondContact O-CG1 3.14Å; T209-I213 PolarHBondContact O-N 3.41Å; F210-I213 PolarHBondContact O-N 3.26Å; I213-I215 PolarHBondContact O-N 3.07Å; I213-V216 PolarHBondContact O-N 3.46Å; I213-L217 HydrophobicContact CG2-CD1 4.03Å; I213-L217 HydrophobicContact CG2-CG 4.23Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 WeakPolarHBondContact O-CG 3.27Å; I213-L217 PolarHBondContact O-N 3.04Å; I213-F248 HydrophobicContact CG2-CE1 4.42Å; I213-F248 HydrophobicContact CG2-CZ 3.92Å
214G92.5Very high89.1Confident10 Ų1065.6 Ų65.610%0.10337%0.369CS..Hα-helixtrans-57.9-46.617500000112.8F210 M211 S212 G218 S244F210-G214 PolarHBondContact O-N 3.18Å; M211-G214 PolarHBondContact O-N 3.48Å; S212-G214 VanDerWaalsContact C-N 3.32Å; S212-G214 PolarHBondContact O-N 2.85Å; G214-G218 PolarHBondContact O-N 3.29Å; G214-S244 WeakPolarHBondContact O-CB 3.38Å; G214-S244 PolarHBondContact O-OG 2.93Å
215I91.8Very high89.9Confident94 Ų9465 Ų6548%0.48236%0.361SS..Hα-helixtrans-63.8-48.2178-66.4166.3000110.8M211 S212 I213 G218 I219M211-I215 HydrophobicContact CG-CD1 4.03Å; M211-I215 WeakPolarHBondContact O-CG1 3.4Å; M211-I215 PolarHBondContact O-N 3.14Å; S212-I215 PolarHBondContact O-N 2.85Å; I213-I215 PolarHBondContact O-N 3.07Å; I215-G218 PolarHBondContact O-N 3.46Å; I215-I219 HydrophobicContact CG2-CD1 3.83Å; I215-I219 HydrophobicContact CG2-CG1 4.49Å; I215-I219 WeakPolarHBondContact O-CG1 3.46Å; I215-I219 PolarHBondContact O-N 2.91Å
216V94.7Very high89.9Confident82 Ų8264.6 Ų64.650%0.49736%0.362SS..Hα-helixtrans-61.9-48-179.3169.70000111.2S212 I213 G218 I219 L220S212-V216 WeakPolarHBondContact O-CB 3.32Å; S212-V216 VanDerWaalsContact O-CG2 3.3Å; S212-V216 WeakPolarHBondContact O-CG2 3.33Å; S212-V216 PolarHBondContact O-N 2.83Å; I213-V216 PolarHBondContact O-N 3.46Å; V216-G218 VanDerWaalsContact C-N 3.29Å; V216-G218 PolarHBondContact O-N 3.27Å; V216-I219 PolarHBondContact O-N 3.24Å; V216-L220 HydrophobicContact CG1-CD1 4Å; V216-L220 HydrophobicContact CG1-CG 4.4Å; V216-L220 WeakPolarHBondContact O-CG 2.87Å; V216-L220 PolarHBondContact O-N 2.98Å
217L93.6Very high89.7Confident70 Ų7067.6 Ų67.637%0.36638%0.381SS..Hα-helixtrans-64-36.4176.4-69.9-173000111.7I213 L220 I221 F248I213-L217 HydrophobicContact CG2-CD1 4.03Å; I213-L217 HydrophobicContact CG2-CG 4.23Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 WeakPolarHBondContact O-CG 3.27Å; I213-L217 PolarHBondContact O-N 3.04Å; L217-L220 HydrophobicContact CD2-CD1 4.27Å; L217-L220 PolarHBondContact O-N 2.96Å; L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 WeakPolarHBondContact O-CG1 3.43Å; L217-I221 PolarHBondContact O-N 3.05Å; L217-F248 HydrophobicContact CB-CE2 4.38Å; L217-F248 HydrophobicContact CD1-CE2 3.9Å; L217-F248 HydrophobicContact CD1-CZ 3.7Å
218G91.1Very high89.1Confident2 Ų269.9 Ų69.92%0.02140%0.396CS..Hα-helixtrans-61.3-45.117400000112.2G214 I215 V216 G222 G240 S244G214-G218 PolarHBondContact O-N 3.29Å; I215-G218 PolarHBondContact O-N 3.46Å; V216-G218 VanDerWaalsContact C-N 3.29Å; V216-G218 PolarHBondContact O-N 3.27Å; G218-G222 PolarHBondContact O-N 2.88Å; G218-G240 VanDerWaalsContact CA-O 3.28Å; G218-G240 WeakPolarHBondContact CA-O 3.38Å; G218-G240 CarbonylContact O-C 3.43Å; G218-G240 WeakPolarHBondContact O-CA 3.47Å; G218-S244 VanDerWaalsContact CA-CB 3.49Å
219I91.1Very high88.6Confident95 Ų9570.1 Ų70.149%0.48742%0.415SS..Hα-helixtrans-63.7-47.5175.6-66.6166.4000110.4I215 V216 I221 G222 T223I215-I219 HydrophobicContact CG2-CD1 3.83Å; I215-I219 HydrophobicContact CG2-CG1 4.49Å; I215-I219 WeakPolarHBondContact O-CG1 3.46Å; I215-I219 PolarHBondContact O-N 2.91Å; V216-I219 PolarHBondContact O-N 3.24Å; I219-I221 PolarHBondContact O-N 2.65Å; I219-G222 CarbonylContact O-C 3.57Å; I219-G222 WeakPolarHBondContact O-CA 3.33Å; I219-G222 PolarHBondContact O-N 3.07Å; I219-G222 VanDerWaalsContact O-N 3.09Å; I219-T223 HydrophobicContact CG2-CG2 4.44Å; I219-T223 WeakPolarHBondContact O-CG2 3.27Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 2.87Å
220L92.5Very high88Confident94 Ų9468.3 Ų68.349%0.49242%0.416SS..Hα-helixtrans-58.9-48179.7-72.3174.3000111.7V216 L217 G222 T223 L224V216-L220 HydrophobicContact CG1-CD1 4Å; V216-L220 HydrophobicContact CG1-CG 4.4Å; V216-L220 WeakPolarHBondContact O-CG 2.87Å; V216-L220 PolarHBondContact O-N 2.98Å; L217-L220 HydrophobicContact CD2-CD1 4.27Å; L217-L220 PolarHBondContact O-N 2.96Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 2.79Å; L220-T223 PolarHBondContact O-N 3.34Å; L220-T223 VanDerWaalsContact O-N 3.17Å; L220-T223 PolarHBondContact O-OG1 2.85Å; L220-L224 PolarHBondContact O-N 3.32Å
221I88.4Confident87.2Confident40 Ų4069.2 Ų69.221%0.20542%0.422CS..Hα-helixtrans-61.4-40175.6-68169000110.6L217 I219 T223 L224 L235 F243L217-I221 WeakPolarHBondContact O-CB 3.39Å; L217-I221 WeakPolarHBondContact O-CG1 3.43Å; L217-I221 PolarHBondContact O-N 3.05Å; I219-I221 PolarHBondContact O-N 2.65Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 2.86Å; I221-L224 WeakPolarHBondContact O-CB 3.42Å; I221-L224 PolarHBondContact O-N 3.47Å; I221-L235 HydrophobicContact CG2-CD1 3.71Å; I221-F243 HydrophobicContact CD1-CD1 3.52Å; I221-F243 HydrophobicContact CD1-CE1 3.76Å; I221-F243 HydrophobicContact CG2-CD1 4.31Å
222G86.6Confident86.5Confident2 Ų270.6 Ų70.62%0.02143%0.434CS..Hα-helixtrans-62.6-32.7176.500000113.8G218 I219 L220 L224 T234 G236G218-G222 PolarHBondContact O-N 2.88Å; I219-G222 CarbonylContact O-C 3.57Å; I219-G222 WeakPolarHBondContact O-CA 3.33Å; I219-G222 PolarHBondContact O-N 3.07Å; I219-G222 VanDerWaalsContact O-N 3.09Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 2.79Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-T234 PolarHBondContact O-OG1 3.49Å; G222-T234 VanDerWaalsContact O-OG1 3.05Å; G222-G236 WeakPolarHBondContact CA-O 3.31Å; G222-G236 WeakPolarHBondContact O-CA 3.44Å; G222-G236 PolarHBondContact O-N 3.23Å
223T86.8Confident85.7Confident91 Ų9170.9 Ų70.956%0.55843%0.431SS*.Hα-helixtrans-80.5-10.9177.459.20000114.2I219 L220 I221 V225I219-T223 HydrophobicContact CG2-CG2 4.44Å; I219-T223 WeakPolarHBondContact O-CG2 3.27Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 2.87Å; L220-T223 PolarHBondContact O-N 3.34Å; L220-T223 VanDerWaalsContact O-N 3.17Å; L220-T223 PolarHBondContact O-OG1 2.85Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 2.86Å; T223-V225 PolarHBondContact O-N 2.68Å
224L86.4Confident85Confident106 Ų10669 Ų6956%0.55542%0.423SS*.  trans-64.6128.8176.4-67.4173.1000109.8L220 I221 G222 T234L220-L224 PolarHBondContact O-N 3.32Å; I221-L224 WeakPolarHBondContact O-CB 3.42Å; I221-L224 PolarHBondContact O-N 3.47Å; G222-L224 VanDerWaalsContact C-N 3.34Å; L224-T234 PolarHBondContact O-OG1 3.3Å
225V82.8Confident84.3Confident85 Ų8571.6 Ų71.652%0.51543%0.434SS..EExtended strand (participates in β ladder)trans-111.6116.3174.5-175.50000107.7T223 P232 L233T223-V225 PolarHBondContact O-N 2.68Å; V225-P232 HydrophobicContact CG1-CB 3.63Å; V225-L233 CarbonylContact C-O 3.54Å; V225-L233 WeakPolarHBondContact CA-O 3.38Å
226L81.6Confident83.7Confident123 Ų12368.3 Ų68.364%0.64442%0.424SS*.EExtended strand (participates in β ladder)trans-103.3114.3173.9-66.2175000108.5V228 L233L226-V228 PolarHBondContact O-N 3.49Å; L226-L233 PolarHBondContact N-O 2.93Å; L226-L233 WeakPolarHBondContact O-CA 3.43Å; L226-L233 WeakPolarHBondContact O-CB 3.32Å; L226-L233 PolarHBondContact O-N 3.19Å
227T80.9Confident82.9Confident97 Ų9768.1 Ų68.160%0.59543%0.431SS*.EExtended strand (participates in β ladder)trans-85.8111.6175.7-51.80000109.8I231T227-I231 WeakPolarHBondContact CA-O 3.33Å
228V77.3Confident82.1Confident93 Ų9367 Ų6756%0.56444%0.437SS*.EExtended strand (participates in β ladder)trans-115.7118.5176.8-177.40000108.5L226 G230 I231 L233L226-V228 PolarHBondContact O-N 3.49Å; V228-G230 PolarHBondContact O-N 3.48Å; V228-I231 PolarHBondContact N-O 2.99Å; V228-I231 PolarHBondContact O-N 2.98Å; V228-I231 VanDerWaalsContact O-N 3.08Å; V228-L233 HydrophobicContact CB-CD1 4.05Å; V228-L233 HydrophobicContact CG2-CD1 4.01Å
229G80.6Confident81.6Confident86 Ų8667.3 Ų67.389%0.88744%0.44SS*.THydrogen-bonded Turntrans6225.2-178.800000114.5I231G229-I231 VanDerWaalsContact C-N 3.35Å
230G78.6Confident81.4Confident62 Ų6262.8 Ų62.864%0.63942%0.417SS*.THydrogen-bonded Turntrans89.6-9.9-175.700000114.8V228 P232V228-G230 PolarHBondContact O-N 3.48Å; G230-P232 WeakPolarHBondContact O-CD 3.48Å
231I74Confident81Confident48 Ų4861.1 Ų61.125%0.24642%0.416CS..EExtended strand (participates in β ladder)trans-89.7118.9179.2-61.1171.9000109.3T227 V228 G229 L233 L377 A380T227-I231 WeakPolarHBondContact CA-O 3.33Å; V228-I231 PolarHBondContact N-O 2.99Å; V228-I231 PolarHBondContact O-N 2.98Å; V228-I231 VanDerWaalsContact O-N 3.08Å; G229-I231 VanDerWaalsContact C-N 3.35Å; I231-L233 HydrophobicContact CG2-CD2 3.93Å; I231-L233 HydrophobicContact CG2-CG 4.32Å; I231-L233 PolarHBondContact O-N 2.58Å; I231-L233 VanDerWaalsContact O-N 3.14Å; I231-L377 HydrophobicContact CD1-CD1 4.49Å; I231-L377 HydrophobicContact CG2-CD1 4.47Å; I231-A380 HydrophobicContact CG2-CB 3.71Å
232P76.5Confident80.8Confident70 Ų7062.2 Ų62.246%0.45542%0.422SS..EExtended strand (participates in β ladder)trans-73.1103175.129.6-32.4000110.2V225 G230V225-P232 HydrophobicContact CG1-CB 3.63Å; G230-P232 WeakPolarHBondContact O-CD 3.48Å
233L76.6Confident80.8Confident55 Ų5567.4 Ų67.429%0.28844%0.444SS..EExtended strand (participates in β ladder)trans-91.5120176.1-61.8172.1000109.6V225 L226 V228 I231 L377V225-L233 CarbonylContact C-O 3.54Å; V225-L233 WeakPolarHBondContact CA-O 3.38Å; L226-L233 PolarHBondContact N-O 2.93Å; L226-L233 WeakPolarHBondContact O-CA 3.43Å; L226-L233 WeakPolarHBondContact O-CB 3.32Å; L226-L233 PolarHBondContact O-N 3.19Å; V228-L233 HydrophobicContact CB-CD1 4.05Å; V228-L233 HydrophobicContact CG2-CD1 4.01Å; I231-L233 HydrophobicContact CG2-CD2 3.93Å; I231-L233 HydrophobicContact CG2-CG 4.32Å; I231-L233 PolarHBondContact O-N 2.58Å; I231-L233 VanDerWaalsContact O-N 3.14Å; L233-L377 HydrophobicContact CD2-CD1 4.41Å
234T80.8Confident80.9Confident43 Ų4363.4 Ų63.426%0.26442%0.42SS..EExtended strand (participates in β ladder)trans-118145.5172.7-179.10000110.1G222 L224 G236 P376G222-T234 PolarHBondContact O-OG1 3.49Å; G222-T234 VanDerWaalsContact O-OG1 3.05Å; L224-T234 PolarHBondContact O-OG1 3.3Å; T234-G236 VanDerWaalsContact C-N 3.28Å; T234-G236 PolarHBondContact OG1-N 2.85Å; T234-G236 VanDerWaalsContact OG1-N 3.14Å; T234-P376 HydrophobicContact CG2-CG 4.2Å
235L77.4Confident81.1Confident65 Ų6560.5 Ų60.534%0.3442%0.415SS..  trans-76.6-20.3171.1-67.8174.8000111.8I221 G239 T372I221-L235 HydrophobicContact CG2-CD1 3.71Å; L235-G239 VanDerWaalsContact O-CA 3.29Å; L235-G239 WeakPolarHBondContact O-CA 3.46Å; L235-G239 PolarHBondContact O-N 2.93Å; L235-T372 WeakPolarHBondContact O-CG2 3.45Å
236G79.8Confident81.2Confident25 Ų2561.9 Ų61.926%0.25842%0.419SS..Hα-helixtrans61176.6-17300000113.3G222 T234 G238 G239 G240G222-G236 WeakPolarHBondContact CA-O 3.31Å; G222-G236 WeakPolarHBondContact O-CA 3.44Å; G222-G236 PolarHBondContact O-N 3.23Å; T234-G236 VanDerWaalsContact C-N 3.28Å; T234-G236 PolarHBondContact OG1-N 2.85Å; T234-G236 VanDerWaalsContact OG1-N 3.14Å; G236-G238 PolarHBondContact O-N 3.37Å; G236-G239 PolarHBondContact O-N 3.24Å; G236-G240 PolarHBondContact O-N 3.44Å
237A76.5Confident81.7Confident78 Ų7860.3 Ų60.365%0.64541%0.407SS*.Hα-helixtrans-58.1-37.7-179.900000112.4A241A237-A241 VanDerWaalsContact O-CB 3.25Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.93Å
238G78.7Confident82.2Confident48 Ų4857 Ų5750%0.49539%0.385SS..Hα-helixtrans-66.2-50.3178.800000113.3G236 A241 L242G236-G238 PolarHBondContact O-N 3.37Å; G238-A241 PolarHBondContact O-N 3.34Å; G238-L242 WeakPolarHBondContact O-CB 3.28Å; G238-L242 PolarHBondContact O-N 2.97Å
239G80Confident82.7Confident8 Ų854.3 Ų54.38%0.08238%0.375CS..Hα-helixtrans-67.4-38.4-179.300000112.6L235 G236 L242 F243L235-G239 VanDerWaalsContact O-CA 3.29Å; L235-G239 WeakPolarHBondContact O-CA 3.46Å; L235-G239 PolarHBondContact O-N 2.93Å; G236-G239 PolarHBondContact O-N 3.24Å; G239-L242 PolarHBondContact O-N 3.03Å; G239-F243 PolarHBondContact O-N 2.87Å
240G86.4Confident82.9Confident0 Ų056.3 Ų56.30%036%0.356CS..Hα-helixtrans-63.7-45.3174.400000113.1G218 G236 L242 F243 S244G218-G240 VanDerWaalsContact CA-O 3.28Å; G218-G240 WeakPolarHBondContact CA-O 3.38Å; G218-G240 CarbonylContact O-C 3.43Å; G218-G240 WeakPolarHBondContact O-CA 3.47Å; G236-G240 PolarHBondContact O-N 3.44Å; G240-L242 VanDerWaalsContact C-N 3.35Å; G240-L242 PolarHBondContact O-N 3.4Å; G240-F243 PolarHBondContact O-N 3.44Å; G240-S244 WeakPolarHBondContact O-CB 3.36Å; G240-S244 PolarHBondContact O-N 3.25Å
241A85.2Confident83.4Confident58 Ų5857 Ų5748%0.47934%0.34SS..Hα-helixtrans-62.5-40174.800000112.4A237 G238 G245A237-A241 VanDerWaalsContact O-CB 3.25Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.93Å; G238-A241 PolarHBondContact O-N 3.34Å; A241-G245 PolarHBondContact O-N 3.45Å
242L84.1Confident83.8Confident64 Ų6457.4 Ų57.434%0.33534%0.341SS..Hα-helixtrans-61.1-51.4175.5-17688.2000111.4G238 G239 G240 S244 G245 I246 V369G238-L242 WeakPolarHBondContact O-CB 3.28Å; G238-L242 PolarHBondContact O-N 2.97Å; G239-L242 PolarHBondContact O-N 3.03Å; G240-L242 VanDerWaalsContact C-N 3.35Å; G240-L242 PolarHBondContact O-N 3.4Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.45Å; L242-G245 PolarHBondContact O-N 3.35Å; L242-I246 HydrophobicContact CD2-CD1 4.41Å; L242-I246 HydrophobicContact CG-CD1 4.09Å; L242-I246 WeakPolarHBondContact O-CG1 3.45Å; L242-I246 PolarHBondContact O-N 2.9Å; L242-V369 HydrophobicContact CD2-CG2 3.37Å
243F85.1Confident83.9Confident111 Ų11157.8 Ų57.849%0.48734%0.339SS..Hα-helixtrans-59.1-46.7179.9-179-87.8000111.1I221 G239 G240 G245 I246 F247I221-F243 HydrophobicContact CD1-CD1 3.52Å; I221-F243 HydrophobicContact CD1-CE1 3.76Å; I221-F243 HydrophobicContact CG2-CD1 4.31Å; G239-F243 PolarHBondContact O-N 2.87Å; G240-F243 PolarHBondContact O-N 3.44Å; F243-G245 PolarHBondContact O-N 3.24Å; F243-I246 PolarHBondContact O-N 3.17Å; F243-F247 WeakPolarHBondContact O-CB 3.47Å; F243-F247 PolarHBondContact O-N 3.25Å
244S90.7Very high84Confident6 Ų661.6 Ų61.64%0.04235%0.353CS..Hα-helixtrans-60-46.3176.4-175.60000111.8G214 G218 G240 L242 I246 F247 F248G214-S244 WeakPolarHBondContact O-CB 3.38Å; G214-S244 PolarHBondContact O-OG 2.93Å; G218-S244 VanDerWaalsContact CA-CB 3.49Å; G240-S244 WeakPolarHBondContact O-CB 3.36Å; G240-S244 PolarHBondContact O-N 3.25Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.45Å; S244-I246 VanDerWaalsContact C-N 3.34Å; S244-I246 PolarHBondContact O-N 2.75Å; S244-F247 PolarHBondContact O-N 3.28Å; S244-F248 WeakPolarHBondContact O-CB 3.3Å; S244-F248 VanDerWaalsContact O-CD2 3.32Å; S244-F248 WeakPolarHBondContact O-CD2 3.47Å; S244-F248 PolarHBondContact O-N 2.89Å; S244-F248 VanDerWaalsContact OG-CD2 3.28Å; S244-F248 WeakPolarHBondContact OG-CD2 3.36Å
245G89Confident83.8Confident45 Ų4563 Ų6346%0.46436%0.356SS..Hα-helixtrans-58.8-41.9177.400000113.4A241 L242 F243 G249A241-G245 PolarHBondContact O-N 3.45Å; L242-G245 PolarHBondContact O-N 3.35Å; F243-G245 PolarHBondContact O-N 3.24Å; G245-G249 WeakPolarHBondContact O-CA 3.48Å; G245-G249 PolarHBondContact O-N 3.01Å
246I86.3Confident83.5Confident114 Ų11460.4 Ų60.459%0.58534%0.343SS*.Hα-helixtrans-66.3-48.2175.9-67169.2000110.5L242 F243 S244 G249 W250L242-I246 HydrophobicContact CD2-CD1 4.41Å; L242-I246 HydrophobicContact CG-CD1 4.09Å; L242-I246 WeakPolarHBondContact O-CG1 3.45Å; L242-I246 PolarHBondContact O-N 2.9Å; F243-I246 PolarHBondContact O-N 3.17Å; S244-I246 VanDerWaalsContact C-N 3.34Å; S244-I246 PolarHBondContact O-N 2.75Å; I246-G249 PolarHBondContact O-N 2.95Å; I246-W250 WeakPolarHBondContact O-CB 3.43Å; I246-W250 PolarHBondContact O-N 3.42Å
247F91.4Very high83.3Confident90 Ų9065.3 Ų65.340%0.39536%0.355SS..Hα-helixtrans-61.7-51.3-178.4177-97.4000112F243 S244 W250 Y251F243-F247 WeakPolarHBondContact O-CB 3.47Å; F243-F247 PolarHBondContact O-N 3.25Å; S244-F247 PolarHBondContact O-N 3.28Å; F247-W250 HydrophobicContact CE2-CZ3 4.28Å; F247-W250 PolarHBondContact O-N 3.49Å; F247-Y251 WeakPolarHBondContact O-CB 3.01Å; F247-Y251 PolarHBondContact O-N 3Å
248F90.9Very high83.4Confident29 Ų2963.8 Ų63.813%0.12734%0.336CS..Hα-helixtrans-72.1-31.8-179.8-77.8-75.1000112.6F210 I213 L217 S244 Y251 Q252F210-F248 HydrophobicContact CD1-CD1 4.4Å; F210-F248 HydrophobicContact CD2-CD1 4.48Å; F210-F248 HydrophobicContact CE1-CB 3.92Å; F210-F248 AromaticContact CE1-CD1 3.73Å; F210-F248 HydrophobicContact CE1-CD1 3.73Å; F210-F248 HydrophobicContact CE1-CG 4.22Å; F210-F248 AromaticContact CE2-CD1 3.81Å; F210-F248 HydrophobicContact CE2-CD1 3.81Å; F210-F248 HydrophobicContact CE2-CE1 4.24Å; F210-F248 HydrophobicContact CZ-CB 4.12Å; F210-F248 AromaticContact CZ-CD1 3.42Å; F210-F248 HydrophobicContact CZ-CD1 3.42Å; F210-F248 VanDerWaalsContact CZ-CD1 3.42Å; F210-F248 HydrophobicContact CZ-CE1 4.29Å; F210-F248 HydrophobicContact CZ-CG 4.23Å; I213-F248 HydrophobicContact CG2-CE1 4.42Å; I213-F248 HydrophobicContact CG2-CZ 3.92Å; L217-F248 HydrophobicContact CB-CE2 4.38Å; L217-F248 HydrophobicContact CD1-CE2 3.9Å; L217-F248 HydrophobicContact CD1-CZ 3.7Å; S244-F248 WeakPolarHBondContact O-CB 3.3Å; S244-F248 VanDerWaalsContact O-CD2 3.32Å; S244-F248 WeakPolarHBondContact O-CD2 3.47Å; S244-F248 PolarHBondContact O-N 2.89Å; S244-F248 VanDerWaalsContact OG-CD2 3.28Å; S244-F248 WeakPolarHBondContact OG-CD2 3.36Å; F248-Y251 PolarHBondContact O-N 2.83Å; F248-Q252 VanDerWaalsContact O-CB 3.31Å; F248-Q252 WeakPolarHBondContact O-CB 3.46Å; F248-Q252 PolarHBondContact O-N 3.44Å
249G87.6Confident83.5Confident35 Ų3561.6 Ų61.636%0.36131%0.313SS..Hα-helixtrans-63.1-44.617100000112.2G245 I246 N253G245-G249 WeakPolarHBondContact O-CA 3.48Å; G245-G249 PolarHBondContact O-N 3.01Å; I246-G249 PolarHBondContact O-N 2.95Å; G249-N253 WeakPolarHBondContact O-CB 3.46Å; G249-N253 PolarHBondContact O-N 3.32Å
250W86.2Confident83.6Confident129 Ų12962.1 Ų62.149%0.48931%0.314SS..Hα-helixtrans-63.2-42.9172.8168.282000112.3I246 F247 N253 K254I246-W250 WeakPolarHBondContact O-CB 3.43Å; I246-W250 PolarHBondContact O-N 3.42Å; F247-W250 HydrophobicContact CE2-CZ3 4.28Å; F247-W250 PolarHBondContact O-N 3.49Å; W250-N253 WeakPolarHBondContact O-CB 3.29Å; W250-N253 PolarHBondContact O-N 2.9Å; W250-K254 HydrophobicContact CZ2-CD 4.09Å; W250-K254 VanDerWaalsContact CZ2-NZ 3.27Å; W250-K254 PolarHBondContact O-N 3.29Å
251Y87.9Confident83.7Confident75 Ų7563.7 Ų63.729%0.29432%0.322SS..Hα-helixtrans-63.7-44.9179.4-171-97.8000111.8F210 F247 F248 N253 K254 K255 L258F210-Y251 AromaticContact CE2-CD1 3.78Å; F210-Y251 HydrophobicContact CE2-CD1 3.78Å; F210-Y251 HydrophobicContact CE2-CE1 4.17Å; F210-Y251 HydrophobicContact CZ-CD1 4.01Å; F247-Y251 WeakPolarHBondContact O-CB 3.01Å; F247-Y251 PolarHBondContact O-N 3Å; F248-Y251 PolarHBondContact O-N 2.83Å; Y251-N253 VanDerWaalsContact C-N 3.32Å; Y251-N253 PolarHBondContact O-N 3.23Å; Y251-K254 PolarHBondContact O-N 2.83Å; Y251-K255 HydrophobicContact CE1-CD 4.04Å; Y251-K255 PolarHBondContact O-N 3.19Å; Y251-K255 VanDerWaalsContact O-N 3.09Å; Y251-K255 PolarHBondContact OH-NZ 2.86Å; Y251-L258 HydrophobicContact CE1-CD1 4.12Å
252Q83.9Confident83.5Confident58 Ų5861.8 Ų61.827%0.27131%0.305SS..Hα-helixtrans-61.6-39.4173.7175.9176.139.600111.7F210 F248 K254 K255 A256 L258 G259F210-Q252 HydrophobicContact CZ-CB 4.46Å; F248-Q252 VanDerWaalsContact O-CB 3.31Å; F248-Q252 WeakPolarHBondContact O-CB 3.46Å; F248-Q252 PolarHBondContact O-N 3.44Å; Q252-K254 PolarHBondContact O-N 3.22Å; Q252-K255 CarbonylContact O-C 3.53Å; Q252-K255 PolarHBondContact O-N 3.48Å; Q252-A256 WeakPolarHBondContact O-CA 3.13Å; Q252-A256 PolarHBondContact O-N 2.76Å; Q252-A256 VanDerWaalsContact O-N 3.16Å; Q252-L258 WeakPolarHBondContact CG-O 3.34Å; Q252-L258 PolarHBondContact NE2-O 3.39Å; Q252-G259 VanDerWaalsContact NE2-C 3.27Å; Q252-G259 PolarHBondContact NE2-O 3.21Å
253N78.1Confident83.3Confident78 Ų7862.9 Ų62.942%0.41732%0.318SS..Hα-helixtrans-59.3-33.7178.1-166.139.3000112.2G249 W250 Y251G249-N253 WeakPolarHBondContact O-CB 3.46Å; G249-N253 PolarHBondContact O-N 3.32Å; W250-N253 WeakPolarHBondContact O-CB 3.29Å; W250-N253 PolarHBondContact O-N 2.9Å; Y251-N253 VanDerWaalsContact C-N 3.32Å; Y251-N253 PolarHBondContact O-N 3.23Å
254K78.6Confident83.2Confident134 Ų13460.8 Ų60.858%0.58332%0.321SS*.Hα-helixtrans-79.2-30.1173.9-68.3-169.2174.2-172.20113.7W250 Y251 Q252W250-K254 HydrophobicContact CZ2-CD 4.09Å; W250-K254 VanDerWaalsContact CZ2-NZ 3.27Å; W250-K254 PolarHBondContact O-N 3.29Å; Y251-K254 PolarHBondContact O-N 2.83Å; Q252-K254 PolarHBondContact O-N 3.22Å
255K76.8Confident83.1Confident74 Ų7462.5 Ų62.532%0.32233%0.331SS..  trans-125.374.4-177.6-65.7-171.3178.4-175.10110.2Y251 Q252 Y257 L258Y251-K255 HydrophobicContact CE1-CD 4.04Å; Y251-K255 PolarHBondContact O-N 3.19Å; Y251-K255 VanDerWaalsContact O-N 3.09Å; Y251-K255 PolarHBondContact OH-NZ 2.86Å; Q252-K255 CarbonylContact O-C 3.53Å; Q252-K255 PolarHBondContact O-N 3.48Å; K255-Y257 HydrophobicContact CB-CD1 4.4Å; K255-Y257 HydrophobicContact CB-CE1 3.99Å; K255-Y257 HydrophobicContact CD-CE1 4.42Å; K255-Y257 HydrophobicContact CG-CE1 4.24Å; K255-Y257 PolarHBondContact O-N 3.37Å; K255-L258 HydrophobicContact CB-CD1 4.14Å; K255-L258 HydrophobicContact CD-CD1 3.74Å; K255-L258 PolarHBondContact O-N 2.91Å
256A71.1Confident83Confident10 Ų1067.4 Ų67.48%0.08334%0.336CS..THydrogen-bonded Turntrans-59.7-13.5-174.500000115.3M138 Q252M138-A256 HydrophobicContact CB-CB 4.45Å; M138-A256 HydrophobicContact CE-CB 4.05Å; M138-A256 HydrophobicContact SD-CB 3.99Å; Q252-A256 WeakPolarHBondContact O-CA 3.13Å; Q252-A256 PolarHBondContact O-N 2.76Å; Q252-A256 VanDerWaalsContact O-N 3.16Å
257Y74.2Confident82.9Confident127 Ų12770.2 Ų70.250%0.49834%0.339SS..THydrogen-bonded Turntrans-84.9-7.5175.369.1-92.4000114.2K255K255-Y257 HydrophobicContact CB-CD1 4.4Å; K255-Y257 HydrophobicContact CB-CE1 3.99Å; K255-Y257 HydrophobicContact CD-CE1 4.42Å; K255-Y257 HydrophobicContact CG-CE1 4.24Å; K255-Y257 PolarHBondContact O-N 3.37Å
258L78.8Confident82.9Confident47 Ų4771.6 Ų71.625%0.24635%0.345CS..SBendtrans-108.4153.2177.8-76.2164.4000111.2F210 Y251 Q252 K255 N260F210-L258 HydrophobicContact CE2-CB 4.46Å; Y251-L258 HydrophobicContact CE1-CD1 4.12Å; Q252-L258 WeakPolarHBondContact CG-O 3.34Å; Q252-L258 PolarHBondContact NE2-O 3.39Å; K255-L258 HydrophobicContact CB-CD1 4.14Å; K255-L258 HydrophobicContact CD-CD1 3.74Å; K255-L258 PolarHBondContact O-N 2.91Å; L258-N260 VanDerWaalsContact C-N 3.26Å; L258-N260 PolarHBondContact O-N 2.91Å
259G81.3Confident82.8Confident1 Ų174.1 Ų74.11%0.0136%0.36CS..SBendtrans68.124.717000000114D207 F210 Q252 I261D207-G259 PolarHBondContact OD2-N 3.3Å; F210-G259 VanDerWaalsContact CG-CA 3.43Å; Q252-G259 VanDerWaalsContact NE2-C 3.27Å; Q252-G259 PolarHBondContact NE2-O 3.21Å; G259-I261 PolarHBondContact O-N 2.93Å
260N83.4Confident82.8Confident20 Ų2080 Ų8011%0.10738%0.375CS..  trans-58.1126.4178.8-176.731.7000109.9D201 S203 E205 T206 D207 L258D201-N260 PolarHBondContact O-ND2 2.98Å; D201-N260 VanDerWaalsContact O-ND2 3.15Å; D201-N260 PolarHBondContact O-OD1 3.41Å; D201-N260 VanDerWaalsContact O-OD1 3.09Å; S203-N260 PolarHBondContact O-ND2 3.29Å; S203-N260 VanDerWaalsContact O-ND2 3.11Å; S203-N260 PolarHBondContact OG-ND2 2.86Å; E205-N260 PolarHBondContact O-ND2 3.43Å; T206-N260 WeakPolarHBondContact CA-O 3.44Å; D207-N260 PolarHBondContact N-O 3.14Å; L258-N260 VanDerWaalsContact C-N 3.26Å; L258-N260 PolarHBondContact O-N 2.91Å
261I86.9Confident82.7Confident32 Ų3275 Ų7516%0.16436%0.36CS..  trans-129.8110170.3-50.3-179.7000106T206 M211 G259 T265 R266T206-I261 HydrophobicContact CG2-CG1 4.26Å; T206-I261 HydrophobicContact CG2-CG2 4.12Å; M211-I261 HydrophobicContact CB-CD1 4.28Å; M211-I261 HydrophobicContact CG-CD1 4.19Å; M211-I261 HydrophobicContact SD-CD1 4.28Å; G259-I261 PolarHBondContact O-N 2.93Å; I261-T265 HydrophobicContact CG2-CG2 3.85Å; I261-R266 HydrophobicContact CB-CG 3.67Å; I261-R266 HydrophobicContact CG2-CB 4.47Å; I261-R266 HydrophobicContact CG2-CG 3.42Å; I261-R266 VanDerWaalsContact CG2-CG 3.42Å; I261-R266 PolarHBondContact O-NE 3.38Å
262P81.5Confident82.9Confident19 Ų1974.7 Ų74.712%0.12337%0.366CS..  trans-50.6146.2179.2-23.628.9000111.3S204 E205 T206 A264 T265 R266S204-P262 VanDerWaalsContact C-CG 3.42Å; S204-P262 VanDerWaalsContact O-CG 3.28Å; S204-P262 WeakPolarHBondContact O-CG 3.28Å; E205-P262 WeakPolarHBondContact O-CD 3.45Å; T206-P262 WeakPolarHBondContact OG1-CD 3.4Å; P262-A264 PolarHBondContact O-N 3.41Å; P262-T265 PolarHBondContact O-N 2.76Å; P262-R266 PolarHBondContact O-N 3.47Å
263S79.7Confident83.1Confident86 Ų8673.9 Ų73.960%0.60137%0.373SS*.Hα-helixtrans-55-39.4-177.955.20000112.7R266 W267S263-R266 PolarHBondContact O-N 2.93Å; S263-W267 WeakPolarHBondContact O-CB 3.35Å; S263-W267 PolarHBondContact O-N 2.96Å
264A83.2Confident83.4Confident68 Ų6874.1 Ų74.156%0.56237%0.374SS*.Hα-helixtrans-62-45175.800000112.2P262 W267 F268P262-A264 PolarHBondContact O-N 3.41Å; A264-W267 PolarHBondContact O-N 3.48Å; A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.31Å; A264-F268 PolarHBondContact O-N 2.74Å
265T88.7Confident83.9Confident42 Ų4272.6 Ų72.626%0.25837%0.372SS..Hα-helixtrans-65.8-44177.1-52.60000111.4T206 I261 P262 W267 F268 L269T206-T265 HydrophobicContact CG2-CG2 4.45Å; I261-T265 HydrophobicContact CG2-CG2 3.85Å; P262-T265 PolarHBondContact O-N 2.76Å; T265-W267 VanDerWaalsContact C-N 3.34Å; T265-W267 PolarHBondContact O-N 3.43Å; T265-F268 PolarHBondContact O-N 3.18Å; T265-L269 HydrophobicContact CG2-CD1 4.02Å; T265-L269 HydrophobicContact CG2-CG 4.32Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 WeakPolarHBondContact O-CG 3.35Å; T265-L269 PolarHBondContact O-N 3.31Å
266R86.3Confident84.6Confident148 Ų14874.9 Ų74.956%0.55839%0.387SS*.Hα-helixtrans-59.1-46.1174.9-73.1-171.4-77.2145.4-0.9111.6I261 P262 S263 F268 K270I261-R266 HydrophobicContact CB-CG 3.67Å; I261-R266 HydrophobicContact CG2-CB 4.47Å; I261-R266 HydrophobicContact CG2-CG 3.42Å; I261-R266 VanDerWaalsContact CG2-CG 3.42Å; I261-R266 PolarHBondContact O-NE 3.38Å; P262-R266 PolarHBondContact O-N 3.47Å; S263-R266 PolarHBondContact O-N 2.93Å; R266-F268 VanDerWaalsContact C-N 3.35Å; R266-K270 WeakPolarHBondContact O-CB 3.33Å; R266-K270 PolarHBondContact O-N 3.39Å
267W85.1Confident85.3Confident173 Ų17380.7 Ų80.766%0.65541%0.411SS*.Hα-helixtrans-62.7-42.5177.1175.887.9000111.7S263 A264 T265 S271S263-W267 WeakPolarHBondContact O-CB 3.35Å; S263-W267 PolarHBondContact O-N 2.96Å; A264-W267 PolarHBondContact O-N 3.48Å; T265-W267 VanDerWaalsContact C-N 3.34Å; T265-W267 PolarHBondContact O-N 3.43Å; W267-S271 PolarHBondContact NE1-OG 3.23Å; W267-S271 WeakPolarHBondContact O-CB 3.3Å; W267-S271 PolarHBondContact O-N 3.09Å; W267-S271 PolarHBondContact O-OG 3.02Å
268F90Very high85.8Confident118 Ų11879.2 Ų79.252%0.51841%0.411SS..Hα-helixtrans-62.8-53178.2176.8-97.3000111.3A264 T265 R266 K270 S271 V272A264-F268 VanDerWaalsContact O-CB 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.31Å; A264-F268 PolarHBondContact O-N 2.74Å; T265-F268 PolarHBondContact O-N 3.18Å; R266-F268 VanDerWaalsContact C-N 3.35Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 PolarHBondContact O-N 3.04Å; F268-S271 PolarHBondContact O-N 2.98Å; F268-V272 HydrophobicContact CD2-CG2 3.8Å; F268-V272 HydrophobicContact CE1-CG2 4.3Å; F268-V272 HydrophobicContact CE2-CG2 3.54Å; F268-V272 HydrophobicContact CG-CG2 4.3Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 WeakPolarHBondContact O-CB 3.42Å; F268-V272 WeakPolarHBondContact O-CG2 3.36Å; F268-V272 PolarHBondContact O-N 3.47Å
269L90.5Very high86.5Confident83 Ų8379.2 Ų79.244%0.43542%0.417SS..Hα-helixtrans-58.8-44.3178.6-69.9173.6000111.6M211 T265 G273M211-L269 HydrophobicContact SD-CD1 3.66Å; T265-L269 HydrophobicContact CG2-CD1 4.02Å; T265-L269 HydrophobicContact CG2-CG 4.32Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 WeakPolarHBondContact O-CG 3.35Å; T265-L269 PolarHBondContact O-N 3.31Å; L269-G273 WeakPolarHBondContact O-CA 3.19Å; L269-G273 PolarHBondContact O-N 3.15Å
270K85.8Confident86.9Confident158 Ų15881.8 Ų81.869%0.68744%0.438SS*.Hα-helixtrans-62.9-49.1176.6-177.8-177.5176.5-176.10111.5R266 F268 L274R266-K270 WeakPolarHBondContact O-CB 3.33Å; R266-K270 PolarHBondContact O-N 3.39Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 PolarHBondContact O-N 3.04Å; K270-L274 WeakPolarHBondContact O-CB 3.02Å; K270-L274 PolarHBondContact O-N 2.86Å
271S85.8Confident87Confident25 Ų2584 Ų8418%0.17545%0.452CS..Hα-helixtrans-70.4-48.7-174.2-59.80000111.6W267 F268 N275W267-S271 PolarHBondContact NE1-OG 3.23Å; W267-S271 WeakPolarHBondContact O-CB 3.3Å; W267-S271 PolarHBondContact O-N 3.09Å; W267-S271 PolarHBondContact O-OG 3.02Å; F268-S271 PolarHBondContact O-N 2.98Å; S271-N275 VanDerWaalsContact O-CB 3.24Å; S271-N275 WeakPolarHBondContact O-CB 3.49Å; S271-N275 PolarHBondContact O-N 3.09Å; S271-N275 PolarHBondContact O-ND2 3.23Å
272V91.3Very high87.1Confident67 Ų6784.5 Ų84.541%0.40647%0.465SS..Hα-helixtrans-67.5-44.7178.9175.50000110.7F268 L274 N275 L276F268-V272 HydrophobicContact CD2-CG2 3.8Å; F268-V272 HydrophobicContact CE1-CG2 4.3Å; F268-V272 HydrophobicContact CE2-CG2 3.54Å; F268-V272 HydrophobicContact CG-CG2 4.3Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 WeakPolarHBondContact O-CB 3.42Å; F268-V272 WeakPolarHBondContact O-CG2 3.36Å; F268-V272 PolarHBondContact O-N 3.47Å; V272-L274 PolarHBondContact O-N 2.9Å; V272-N275 PolarHBondContact O-N 3.11Å; V272-L276 VanDerWaalsContact O-CB 3.29Å; V272-L276 WeakPolarHBondContact O-CB 3.29Å; V272-L276 PolarHBondContact O-N 3.25Å
273G88.2Confident87.7Confident41 Ų4190 Ų9042%0.42349%0.493SS..Hα-helixtrans-59.4-46.217700000112.2L269 F277L269-G273 WeakPolarHBondContact O-CA 3.19Å; L269-G273 PolarHBondContact O-N 3.15Å; G273-F277 VanDerWaalsContact O-CB 3.24Å; G273-F277 WeakPolarHBondContact O-CB 3.39Å; G273-F277 PolarHBondContact O-N 3.28Å
274L84.7Confident88.2Confident83 Ų8392 Ų9244%0.43549%0.493SS..Hα-helixtrans-64.9-44.1176.3-179.661.8000112.2K270 V272 F277 I278K270-L274 WeakPolarHBondContact O-CB 3.02Å; K270-L274 PolarHBondContact O-N 2.86Å; V272-L274 PolarHBondContact O-N 2.9Å; L274-F277 HydrophobicContact CD1-CD1 4.5Å; L274-F277 PolarHBondContact O-N 3.09Å; L274-I278 HydrophobicContact CD1-CD1 3.94Å; L274-I278 HydrophobicContact CD1-CG1 4.22Å; L274-I278 HydrophobicContact CG-CD1 3.87Å; L274-I278 HydrophobicContact CG-CG1 4.5Å; L274-I278 WeakPolarHBondContact O-CB 3.3Å; L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.49Å; L274-I278 PolarHBondContact O-N 3.33Å
275N87.7Confident88.4Confident103 Ų10391.2 Ų91.255%0.55149%0.486SS*.Hα-helixtrans-65.7-41.1179.9-72.8-18.4000111.8S271 V272 I278 A279S271-N275 VanDerWaalsContact O-CB 3.24Å; S271-N275 WeakPolarHBondContact O-CB 3.49Å; S271-N275 PolarHBondContact O-N 3.09Å; S271-N275 PolarHBondContact O-ND2 3.23Å; V272-N275 PolarHBondContact O-N 3.11Å; N275-I278 PolarHBondContact O-N 3.16Å; N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.47Å; N275-A279 PolarHBondContact O-N 2.9Å
276L91.6Very high88.4Confident122 Ų12290.6 Ų90.664%0.63949%0.489SS*.Hα-helixtrans-66.7-40.4176-175.860.2000111.3V272 A279 A280V272-L276 VanDerWaalsContact O-CB 3.29Å; V272-L276 WeakPolarHBondContact O-CB 3.29Å; V272-L276 PolarHBondContact O-N 3.25Å; L276-A279 PolarHBondContact O-N 2.92Å; L276-A280 WeakPolarHBondContact O-CB 3.28Å; L276-A280 PolarHBondContact O-N 3.44Å
277F87Confident88.7Confident132 Ų13286.6 Ų86.658%0.57948%0.483SS*.Hα-helixtrans-59.6-49.9173.3173.6-104.1000111.7G273 L274 A279 A280 V281G273-F277 VanDerWaalsContact O-CB 3.24Å; G273-F277 WeakPolarHBondContact O-CB 3.39Å; G273-F277 PolarHBondContact O-N 3.28Å; L274-F277 HydrophobicContact CD1-CD1 4.5Å; L274-F277 PolarHBondContact O-N 3.09Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.3Å; F277-A280 PolarHBondContact O-N 2.9Å; F277-V281 HydrophobicContact CD2-CG2 4.12Å; F277-V281 HydrophobicContact CE1-CG2 4.31Å; F277-V281 HydrophobicContact CE2-CG2 3.71Å; F277-V281 HydrophobicContact CZ-CG2 3.82Å; F277-V281 WeakPolarHBondContact O-CB 3.39Å; F277-V281 WeakPolarHBondContact O-CG2 3.43Å; F277-V281 PolarHBondContact O-N 2.95Å
278I85.3Confident88.9Confident96 Ų9683.8 Ų83.849%0.49248%0.477SS..Hα-helixtrans-61.2-40.1176.8-69.2169000110.9L274 N275 G282L274-I278 HydrophobicContact CD1-CD1 3.94Å; L274-I278 HydrophobicContact CD1-CG1 4.22Å; L274-I278 HydrophobicContact CG-CD1 3.87Å; L274-I278 HydrophobicContact CG-CG1 4.5Å; L274-I278 WeakPolarHBondContact O-CB 3.3Å; L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.49Å; L274-I278 PolarHBondContact O-N 3.33Å; N275-I278 PolarHBondContact O-N 3.16Å; I278-G282 WeakPolarHBondContact O-CA 3.36Å; I278-G282 PolarHBondContact O-N 2.95Å
279A91.8Very high88.8Confident46 Ų4682.5 Ų82.538%0.3847%0.472SS..Hα-helixtrans-63.8-47.3177.800000111.7N275 L276 F277 G282 L283N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.47Å; N275-A279 PolarHBondContact O-N 2.9Å; L276-A279 PolarHBondContact O-N 2.92Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.3Å; A279-G282 PolarHBondContact O-N 3.19Å; A279-L283 WeakPolarHBondContact O-CB 3.23Å; A279-L283 WeakPolarHBondContact O-CG 3.45Å; A279-L283 PolarHBondContact O-N 3.05Å
280A90.7Very high88.8Confident55 Ų5583.3 Ų83.346%0.45548%0.48SS..Hα-helixtrans-62.9-51.4178.900000111.7L276 F277 G282 L283 E284L276-A280 WeakPolarHBondContact O-CB 3.28Å; L276-A280 PolarHBondContact O-N 3.44Å; F277-A280 PolarHBondContact O-N 2.9Å; A280-G282 VanDerWaalsContact C-N 3.32Å; A280-G282 PolarHBondContact O-N 3Å; A280-L283 PolarHBondContact O-N 3.27Å; A280-E284 WeakPolarHBondContact O-CB 3.37Å; A280-E284 PolarHBondContact O-N 3.09Å
281V85.9Confident89Confident67 Ų6783.4 Ų83.441%0.40648%0.48SS..Hα-helixtrans-62.2-41.2177.8172.90000110.9F277 E284 A285F277-V281 HydrophobicContact CD2-CG2 4.12Å; F277-V281 HydrophobicContact CE1-CG2 4.31Å; F277-V281 HydrophobicContact CE2-CG2 3.71Å; F277-V281 HydrophobicContact CZ-CG2 3.82Å; F277-V281 WeakPolarHBondContact O-CB 3.39Å; F277-V281 WeakPolarHBondContact O-CG2 3.43Å; F277-V281 PolarHBondContact O-N 2.95Å; V281-E284 PolarHBondContact O-N 2.81Å; V281-A285 WeakPolarHBondContact O-CB 3.44Å; V281-A285 PolarHBondContact O-N 2.81Å
282G88.8Confident89.2Confident42 Ų4283.2 Ų83.243%0.43348%0.48SS..Hα-helixtrans-64.4-41.4178.700000113I278 A279 A280 G286I278-G282 WeakPolarHBondContact O-CA 3.36Å; I278-G282 PolarHBondContact O-N 2.95Å; A279-G282 PolarHBondContact O-N 3.19Å; A280-G282 VanDerWaalsContact C-N 3.32Å; A280-G282 PolarHBondContact O-N 3Å; G282-G286 WeakPolarHBondContact O-CA 3.45Å; G282-G286 PolarHBondContact O-N 2.88Å
283L93Very high89.2Confident136 Ų13683.5 Ų83.571%0.71248%0.479SS*.Hα-helixtrans-66.5-43.7175.3-73.6170.4000111.5A279 A280 S287A279-L283 WeakPolarHBondContact O-CB 3.23Å; A279-L283 WeakPolarHBondContact O-CG 3.45Å; A279-L283 PolarHBondContact O-N 3.05Å; A280-L283 PolarHBondContact O-N 3.27Å; L283-S287 PolarHBondContact O-N 3.34Å
284E90.6Very high89.4Confident127 Ų12785 Ų8559%0.59349%0.494SS*.Hα-helixtrans-64.2-53.3178-172.5179.4169.500111.4A280 V281 G286 S287 Q288A280-E284 WeakPolarHBondContact O-CB 3.37Å; A280-E284 PolarHBondContact O-N 3.09Å; V281-E284 PolarHBondContact O-N 2.81Å; E284-G286 VanDerWaalsContact C-N 3.33Å; E284-G286 PolarHBondContact O-N 3.48Å; E284-S287 PolarHBondContact O-N 2.77Å; E284-S287 PolarHBondContact O-OG 3.4Å; E284-Q288 PolarHBondContact O-N 2.97Å
285A87.7Confident89.9Confident51 Ų5185.5 Ų85.542%0.42151%0.505SS..Hα-helixtrans-64-37.7179.100000112V281 S287 Q288 F289V281-A285 WeakPolarHBondContact O-CB 3.44Å; V281-A285 PolarHBondContact O-N 2.81Å; A285-S287 VanDerWaalsContact C-N 3.32Å; A285-S287 PolarHBondContact O-N 2.79Å; A285-Q288 PolarHBondContact O-N 2.75Å; A285-F289 WeakPolarHBondContact O-CB 3.18Å; A285-F289 PolarHBondContact O-N 3.35Å
286G89.7Confident90Very high30 Ų3084.2 Ų84.231%0.30950%0.496SS..Hα-helixtrans-59.1-42.4176.800000112.3G282 E284 Q288 F289 V290G282-G286 WeakPolarHBondContact O-CA 3.45Å; G282-G286 PolarHBondContact O-N 2.88Å; E284-G286 VanDerWaalsContact C-N 3.33Å; E284-G286 PolarHBondContact O-N 3.48Å; G286-Q288 VanDerWaalsContact C-N 3.33Å; G286-Q288 PolarHBondContact O-N 3.43Å; G286-F289 PolarHBondContact O-N 2.83Å; G286-V290 WeakPolarHBondContact O-CG2 3.3Å; G286-V290 PolarHBondContact O-N 2.86Å
287S91.2Very high90.1Very high63 Ų6379.8 Ų79.844%0.44148%0.481SS..Hα-helixtrans-63.3-38.4177.178.70000112.8L283 E284 A285 K291L283-S287 PolarHBondContact O-N 3.34Å; E284-S287 PolarHBondContact O-N 2.77Å; E284-S287 PolarHBondContact O-OG 3.4Å; A285-S287 VanDerWaalsContact C-N 3.32Å; A285-S287 PolarHBondContact O-N 2.79Å; S287-K291 WeakPolarHBondContact O-CG 3.39Å; S287-K291 PolarHBondContact O-N 2.84Å
288Q89.2Confident90.3Very high115 Ų11578.9 Ų78.954%0.53748%0.48SS..Hα-helixtrans-73.5-38176.9-62.4-177.53200111.4E284 A285 G286 K291 A292E284-Q288 PolarHBondContact O-N 2.97Å; A285-Q288 PolarHBondContact O-N 2.75Å; G286-Q288 VanDerWaalsContact C-N 3.33Å; G286-Q288 PolarHBondContact O-N 3.43Å; Q288-K291 PolarHBondContact O-N 3.15Å; Q288-A292 WeakPolarHBondContact O-CB 3.32Å; Q288-A292 PolarHBondContact O-N 3.12Å
289F88Confident90.7Very high91 Ų9180 Ų8040%0.39948%0.484SS..Hα-helixtrans-61.4-45176.4175.3-101.1000111.9A285 G286 K291 A292 L293 V300 L301A285-F289 WeakPolarHBondContact O-CB 3.18Å; A285-F289 PolarHBondContact O-N 3.35Å; G286-F289 PolarHBondContact O-N 2.83Å; F289-K291 VanDerWaalsContact C-N 3.3Å; F289-K291 PolarHBondContact O-N 2.82Å; F289-A292 PolarHBondContact O-N 2.83Å; F289-L293 HydrophobicContact CE1-CD2 4.47Å; F289-L293 HydrophobicContact CZ-CD1 4.19Å; F289-L293 WeakPolarHBondContact O-CB 3.21Å; F289-L293 PolarHBondContact O-N 3.05Å; F289-V300 HydrophobicContact CE2-CG1 3.96Å; F289-L301 HydrophobicContact CE2-CD2 3.7Å; F289-L301 HydrophobicContact CZ-CD2 3.77Å
290V90.4Very high90.6Very high99 Ų9979 Ų7960%0.647%0.472SS*.Hα-helixtrans-60.8-41177.31720000111.1G286 L293 G294G286-V290 WeakPolarHBondContact O-CG2 3.3Å; G286-V290 PolarHBondContact O-N 2.86Å; V290-L293 PolarHBondContact O-N 3.3Å; V290-G294 PolarHBondContact O-N 2.82Å
291K91.3Very high90.5Very high160 Ų16080.4 Ų80.470%0.69647%0.472SS*.Hα-helixtrans-63.3-45.6174.5-69.6176.1-178.6178.40111.7S287 Q288 F289 L293 G294 S295S287-K291 WeakPolarHBondContact O-CG 3.39Å; S287-K291 PolarHBondContact O-N 2.84Å; Q288-K291 PolarHBondContact O-N 3.15Å; F289-K291 VanDerWaalsContact C-N 3.3Å; F289-K291 PolarHBondContact O-N 2.82Å; K291-L293 VanDerWaalsContact C-N 3.34Å; K291-L293 PolarHBondContact O-N 2.83Å; K291-G294 PolarHBondContact O-N 2.81Å; K291-S295 PolarHBondContact O-N 2.9Å; K291-S295 VanDerWaalsContact O-N 3.1Å; K291-S295 PolarHBondContact O-OG 2.97Å
292A89.3Confident90.8Very high22 Ų2282.6 Ų82.618%0.18248%0.481CS..Hα-helixtrans-65.3-36178.700000112.6Q288 F289 G294 S295 M296 V300Q288-A292 WeakPolarHBondContact O-CB 3.32Å; Q288-A292 PolarHBondContact O-N 3.12Å; F289-A292 PolarHBondContact O-N 2.83Å; A292-G294 VanDerWaalsContact C-N 3.34Å; A292-S295 PolarHBondContact O-N 2.87Å; A292-S295 PolarHBondContact O-OG 2.83Å; A292-M296 HydrophobicContact CB-CE 3.75Å; A292-M296 WeakPolarHBondContact O-CB 3.44Å; A292-M296 PolarHBondContact O-N 3.36Å; A292-V300 HydrophobicContact CB-CG2 3.87Å
293L91.4Very high90.9Very high73 Ų7384.9 Ų84.938%0.38248%0.482SS..Hα-helixtrans-66.1-39.2173.6-167.176.1000111F289 V290 K291 S295 G297 V300F289-L293 HydrophobicContact CE1-CD2 4.47Å; F289-L293 HydrophobicContact CZ-CD1 4.19Å; F289-L293 WeakPolarHBondContact O-CB 3.21Å; F289-L293 PolarHBondContact O-N 3.05Å; V290-L293 PolarHBondContact O-N 3.3Å; K291-L293 VanDerWaalsContact C-N 3.34Å; K291-L293 PolarHBondContact O-N 2.83Å; L293-S295 VanDerWaalsContact C-N 3.33Å; L293-S295 PolarHBondContact O-N 2.84Å; L293-G297 WeakPolarHBondContact O-CA 3.4Å; L293-G297 PolarHBondContact O-N 3.18Å; L293-V300 HydrophobicContact CD1-CG1 3.84Å
294G93.1Very high90.7Very high71 Ų7179.8 Ų79.873%0.73246%0.462SS*.Hα-helixtrans-64.1-3517500000113.6V290 K291 A292V290-G294 PolarHBondContact O-N 2.82Å; K291-G294 PolarHBondContact O-N 2.81Å; A292-G294 VanDerWaalsContact C-N 3.34Å
295S94Very high90.7Very high95 Ų9575.7 Ų75.766%0.66445%0.451SS*.Hα-helixtrans-89.8-36.7-17860.20000114.6K291 A292 L293K291-S295 PolarHBondContact O-N 2.9Å; K291-S295 VanDerWaalsContact O-N 3.1Å; K291-S295 PolarHBondContact O-OG 2.97Å; A292-S295 PolarHBondContact O-N 2.87Å; A292-S295 PolarHBondContact O-OG 2.83Å; L293-S295 VanDerWaalsContact C-N 3.33Å; L293-S295 PolarHBondContact O-N 2.84Å
296M91Very high91Very high75 Ų7577.4 Ų77.437%0.36946%0.456SS..Hα-helixtrans-110.3-11-175-65.6-175.9-77.800113.8A292 I298 Q299 V300 I303A292-M296 HydrophobicContact CB-CE 3.75Å; A292-M296 WeakPolarHBondContact O-CB 3.44Å; A292-M296 PolarHBondContact O-N 3.36Å; M296-I298 PolarHBondContact O-N 3.17Å; M296-Q299 HydrophobicContact CB-CB 4.37Å; M296-Q299 WeakPolarHBondContact O-CB 3.47Å; M296-Q299 PolarHBondContact O-N 3.07Å; M296-V300 HydrophobicContact CB-CB 4.37Å; M296-V300 HydrophobicContact CE-CB 4.01Å; M296-V300 HydrophobicContact CE-CG2 3.74Å; M296-I303 HydrophobicContact SD-CD1 4.45Å
297G92.3Very high91Very high30 Ų3081.4 Ų81.431%0.30947%0.469SS..THydrogen-bonded Turntrans57.4-137.7-174.100000111.8L293 Q299 V300L293-G297 WeakPolarHBondContact O-CA 3.4Å; L293-G297 PolarHBondContact O-N 3.18Å; G297-Q299 PolarHBondContact O-N 2.77Å; G297-Q299 VanDerWaalsContact O-N 3.16Å; G297-V300 VanDerWaalsContact O-CG1 3.26Å; G297-V300 WeakPolarHBondContact O-CG1 3.46Å; G297-V300 PolarHBondContact O-N 2.84Å
298I92Very high91Very high112 Ų11280.6 Ų80.657%0.57446%0.463SS*.THydrogen-bonded Turntrans-64.4-19.8-177-164.960.7000114M296 V300 L301 L302M296-I298 PolarHBondContact O-N 3.17Å; I298-V300 PolarHBondContact O-N 3.39Å; I298-L301 HydrophobicContact CD1-CB 4.21Å; I298-L301 HydrophobicContact CD1-CD1 3.61Å; I298-L301 HydrophobicContact CD1-CG 4.17Å; I298-L301 WeakPolarHBondContact O-CB 3.33Å; I298-L301 PolarHBondContact O-N 2.77Å; I298-L302 PolarHBondContact O-N 2.73Å
299Q92.8Very high91.1Very high121 Ų12177.7 Ų77.757%0.56545%0.451SS*.Hα-helixtrans-60.3-32.2-179-63.7-179.2-18.200111.8M296 G297 L301 L302 I303M296-Q299 HydrophobicContact CB-CB 4.37Å; M296-Q299 WeakPolarHBondContact O-CB 3.47Å; M296-Q299 PolarHBondContact O-N 3.07Å; G297-Q299 PolarHBondContact O-N 2.77Å; G297-Q299 VanDerWaalsContact O-N 3.16Å; Q299-L301 VanDerWaalsContact C-N 3.26Å; Q299-L301 PolarHBondContact O-N 3.48Å; Q299-L302 PolarHBondContact O-N 2.82Å; Q299-I303 WeakPolarHBondContact O-CG1 3.31Å; Q299-I303 PolarHBondContact O-N 2.86Å
300V90Very high91.5Very high23 Ų2377.6 Ų77.614%0.13945%0.454CS..Hα-helixtrans-59.8-37.5176.276.20000112.1F289 A292 L293 M296 G297 I298 G304F289-V300 HydrophobicContact CE2-CG1 3.96Å; A292-V300 HydrophobicContact CB-CG2 3.87Å; L293-V300 HydrophobicContact CD1-CG1 3.84Å; M296-V300 HydrophobicContact CB-CB 4.37Å; M296-V300 HydrophobicContact CE-CB 4.01Å; M296-V300 HydrophobicContact CE-CG2 3.74Å; G297-V300 VanDerWaalsContact O-CG1 3.26Å; G297-V300 WeakPolarHBondContact O-CG1 3.46Å; G297-V300 PolarHBondContact O-N 2.84Å; I298-V300 PolarHBondContact O-N 3.39Å; V300-G304 PolarHBondContact O-N 2.69Å
301L89.3Confident91.6Very high85 Ų8575.8 Ų75.845%0.44544%0.444SS..Hα-helixtrans-71-38.8178.5-65.5-169.9000111.4F289 I298 Q299 G304 A305F289-L301 HydrophobicContact CE2-CD2 3.7Å; F289-L301 HydrophobicContact CZ-CD2 3.77Å; I298-L301 HydrophobicContact CD1-CB 4.21Å; I298-L301 HydrophobicContact CD1-CD1 3.61Å; I298-L301 HydrophobicContact CD1-CG 4.17Å; I298-L301 WeakPolarHBondContact O-CB 3.33Å; I298-L301 PolarHBondContact O-N 2.77Å; Q299-L301 VanDerWaalsContact C-N 3.26Å; Q299-L301 PolarHBondContact O-N 3.48Å; L301-G304 PolarHBondContact O-N 3.33Å; L301-A305 WeakPolarHBondContact O-CB 3.05Å; L301-A305 PolarHBondContact O-N 3.35Å
302L91.6Very high91.8Very high113 Ų11369.5 Ų69.559%0.59242%0.417SS*.Hα-helixtrans-65.8-46.2177.1-65.1176.9000111.1I298 Q299 A305 V306I298-L302 PolarHBondContact O-N 2.73Å; Q299-L302 PolarHBondContact O-N 2.82Å; L302-A305 PolarHBondContact O-N 3.47Å; L302-V306 WeakPolarHBondContact O-CG2 3.46Å; L302-V306 PolarHBondContact O-N 3.34Å
303I91.2Very high92.1Very high90 Ų9070.1 Ų70.146%0.46242%0.419SS..Hα-helixtrans-60.8-47.5175.6-65.2165.9000109.7M296 Q299 A305 V306 I307M296-I303 HydrophobicContact SD-CD1 4.45Å; Q299-I303 WeakPolarHBondContact O-CG1 3.31Å; Q299-I303 PolarHBondContact O-N 2.86Å; I303-A305 VanDerWaalsContact C-N 3.31Å; I303-A305 PolarHBondContact O-N 3.33Å; I303-V306 PolarHBondContact O-N 3.09Å; I303-V306 VanDerWaalsContact O-N 3.14Å; I303-I307 HydrophobicContact CG2-CG2 4.22Å; I303-I307 WeakPolarHBondContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG2 3.3Å; I303-I307 PolarHBondContact O-N 2.81Å
304G89.3Confident92.3Very high29 Ų2971.5 Ų71.530%0.29943%0.426SS..Hα-helixtrans-56.2-41.6175.800000113.5V300 L301 I307 S308V300-G304 PolarHBondContact O-N 2.69Å; L301-G304 PolarHBondContact O-N 3.33Å; G304-I307 WeakPolarHBondContact O-CG1 3.37Å; G304-S308 WeakPolarHBondContact O-CB 2.99Å; G304-S308 PolarHBondContact O-N 2.99Å; G304-S308 VanDerWaalsContact O-N 3.14Å; G304-S308 PolarHBondContact O-OG 3.43Å
305A90.1Very high92.4Very high42 Ų4271.1 Ų71.135%0.34741%0.409SS..Hα-helixtrans-65.8-44.7175.600000111.6L301 L302 I303 S308 I309L301-A305 WeakPolarHBondContact O-CB 3.05Å; L301-A305 PolarHBondContact O-N 3.35Å; L302-A305 PolarHBondContact O-N 3.47Å; I303-A305 VanDerWaalsContact C-N 3.31Å; I303-A305 PolarHBondContact O-N 3.33Å; A305-S308 PolarHBondContact O-N 2.99Å; A305-S308 PolarHBondContact O-OG 3Å; A305-S308 VanDerWaalsContact O-OG 3.08Å; A305-I309 WeakPolarHBondContact O-CB 3.43Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.24Å
306V93.5Very high92.6Very high86 Ų8666.6 Ų66.652%0.52138%0.378SS..Hα-helixtrans-62.7-51177.9172.90000110.8L302 I303 S308 I309 L310L302-V306 WeakPolarHBondContact O-CG2 3.46Å; L302-V306 PolarHBondContact O-N 3.34Å; I303-V306 PolarHBondContact O-N 3.09Å; I303-V306 VanDerWaalsContact O-N 3.14Å; V306-S308 PolarHBondContact O-N 2.99Å; V306-I309 PolarHBondContact O-N 3.15Å; V306-L310 HydrophobicContact CG1-CB 4.32Å; V306-L310 HydrophobicContact CG1-CD2 4.18Å; V306-L310 WeakPolarHBondContact O-CB 3.32Å; V306-L310 PolarHBondContact O-N 2.94Å
307I91.1Very high92.9Very high115 Ų11566.1 Ų66.159%0.5937%0.374SS*.Hα-helixtrans-67-23.7-177.367.4-178.2000113.1I303 G304 P311I303-I307 HydrophobicContact CG2-CG2 4.22Å; I303-I307 WeakPolarHBondContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG2 3.3Å; I303-I307 PolarHBondContact O-N 2.81Å; G304-I307 WeakPolarHBondContact O-CG1 3.37Å; I307-P311 WeakPolarHBondContact O-CD 3.5Å; I307-P311 WeakPolarHBondContact O-CG 3.4Å
308S90Very high93.2Very high46 Ų4669.7 Ų69.732%0.32238%0.381SS..Hα-helixtrans-86.4-38.6177.157.30000112.9V3 G304 A305 V306 H312V3-S308 WeakPolarHBondContact CG2-O 3.41Å; G304-S308 WeakPolarHBondContact O-CB 2.99Å; G304-S308 PolarHBondContact O-N 2.99Å; G304-S308 VanDerWaalsContact O-N 3.14Å; G304-S308 PolarHBondContact O-OG 3.43Å; A305-S308 PolarHBondContact O-N 2.99Å; A305-S308 PolarHBondContact O-OG 3Å; A305-S308 VanDerWaalsContact O-OG 3.08Å; V306-S308 PolarHBondContact O-N 2.99Å; S308-H312 PolarHBondContact O-ND1 3.21Å
309I92.5Very high93.4Very high53 Ų5364.6 Ų64.627%0.27236%0.355SS..Hα-helixtrans-85.8-42.5-176.6-63.8170.5000111.5F6 A305 V306 H312 V313F6-I309 HydrophobicContact CD2-CG2 4.25Å; F6-I309 HydrophobicContact CG-CG2 4.39Å; A305-I309 WeakPolarHBondContact O-CB 3.43Å; A305-I309 WeakPolarHBondContact O-CG1 3.47Å; A305-I309 PolarHBondContact O-N 3.24Å; V306-I309 PolarHBondContact O-N 3.15Å; I309-H312 WeakPolarHBondContact O-CB 3.32Å; I309-H312 PolarHBondContact O-N 3.03Å; I309-H312 VanDerWaalsContact O-N 3.07Å; I309-V313 HydrophobicContact CG2-CG2 3.84Å; I309-V313 WeakPolarHBondContact O-CG2 3.35Å; I309-V313 PolarHBondContact O-N 3.23Å
310L95Very high93.5Very high89 Ų8961.4 Ų61.447%0.46634%0.339SS..Hα-helixtrans-59.1-44.4-172.5-175.665.2000113.2V306 H312 V313 I314V306-L310 HydrophobicContact CG1-CB 4.32Å; V306-L310 HydrophobicContact CG1-CD2 4.18Å; V306-L310 WeakPolarHBondContact O-CB 3.32Å; V306-L310 PolarHBondContact O-N 2.94Å; L310-H312 VanDerWaalsContact C-N 3.31Å; L310-H312 PolarHBondContact O-N 2.86Å; L310-V313 PolarHBondContact O-N 3.2Å; L310-I314 HydrophobicContact CD1-CD1 4.32Å; L310-I314 HydrophobicContact CD1-CG1 4.46Å; L310-I314 HydrophobicContact CG-CD1 4.01Å; L310-I314 WeakPolarHBondContact O-CG1 3.29Å; L310-I314 PolarHBondContact O-N 3.03Å
311P93.2Very high93.8Very high62 Ų6267.6 Ų67.640%0.40336%0.361SS..Hα-helixtrans-59.1-41.8174.8-25.436.4000112.4I307 V313 I314 T315I307-P311 WeakPolarHBondContact O-CD 3.5Å; I307-P311 WeakPolarHBondContact O-CG 3.4Å; P311-V313 VanDerWaalsContact C-N 3.34Å; P311-V313 PolarHBondContact O-N 2.59Å; P311-I314 PolarHBondContact O-N 3.36Å; P311-T315 WeakPolarHBondContact O-CB 3.24Å; P311-T315 PolarHBondContact O-N 2.81Å; P311-T315 PolarHBondContact O-OG1 3.34Å
312H94.3Very high94.2Very high27 Ų2767.8 Ų67.813%0.12537%0.365CS..Hα-helixtrans-64.7-38177.7-71.681.6000112V3 F6 S308 I309 L310 L316 L334V3-H312 HydrophobicContact CG1-CB 4.47Å; F6-H312 HydrophobicContact CD1-CB 4.04Å; F6-H312 HydrophobicContact CE1-CB 3.81Å; S308-H312 PolarHBondContact O-ND1 3.21Å; I309-H312 WeakPolarHBondContact O-CB 3.32Å; I309-H312 PolarHBondContact O-N 3.03Å; I309-H312 VanDerWaalsContact O-N 3.07Å; L310-H312 VanDerWaalsContact C-N 3.31Å; L310-H312 PolarHBondContact O-N 2.86Å; H312-L316 WeakPolarHBondContact O-CB 3.49Å; H312-L316 PolarHBondContact O-N 3.01Å; H312-L334 HydrophobicContact CB-CD2 4.48Å; H312-L334 WeakPolarHBondContact O-CD2 3.34Å
313V96.1Very high94.4Very high36 Ų3667.1 Ų67.122%0.21836%0.362CS..Hα-helixtrans-62.9-47.3174.5175.20000110.8F6 I309 L310 P311 L316 F317F6-V313 HydrophobicContact CD2-CG2 4.35Å; F6-V313 HydrophobicContact CE1-CG2 4.26Å; F6-V313 HydrophobicContact CE2-CG2 3.52Å; F6-V313 HydrophobicContact CZ-CB 4.24Å; F6-V313 HydrophobicContact CZ-CG2 3.47Å; F6-V313 VanDerWaalsContact CZ-CG2 3.47Å; I309-V313 HydrophobicContact CG2-CG2 3.84Å; I309-V313 WeakPolarHBondContact O-CG2 3.35Å; I309-V313 PolarHBondContact O-N 3.23Å; L310-V313 PolarHBondContact O-N 3.2Å; P311-V313 VanDerWaalsContact C-N 3.34Å; P311-V313 PolarHBondContact O-N 2.59Å; V313-L316 PolarHBondContact O-N 3.32Å; V313-F317 HydrophobicContact CG1-CD2 3.96Å; V313-F317 HydrophobicContact CG1-CE2 3.78Å; V313-F317 WeakPolarHBondContact O-CD2 3.33Å; V313-F317 PolarHBondContact O-N 3.28Å
314I96.7Very high94.6Very high102 Ų10271.3 Ų71.352%0.52338%0.377SS..Hα-helixtrans-62-49.1179.1-66167.4000110.1L310 P311 L316 F317 F318L310-I314 HydrophobicContact CD1-CD1 4.32Å; L310-I314 HydrophobicContact CD1-CG1 4.46Å; L310-I314 HydrophobicContact CG-CD1 4.01Å; L310-I314 WeakPolarHBondContact O-CG1 3.29Å; L310-I314 PolarHBondContact O-N 3.03Å; P311-I314 PolarHBondContact O-N 3.36Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 2.79Å; I314-F317 PolarHBondContact O-N 2.93Å; I314-F318 WeakPolarHBondContact O-CB 3.14Å; I314-F318 PolarHBondContact O-N 2.83Å
315T95.4Very high94.9Very high63 Ų6372.8 Ų72.839%0.38738%0.378SS..Hα-helixtrans-63.3-39.1-180-520000111.6P311 F317 F318 S319 L334P311-T315 WeakPolarHBondContact O-CB 3.24Å; P311-T315 PolarHBondContact O-N 2.81Å; P311-T315 PolarHBondContact O-OG1 3.34Å; T315-F317 VanDerWaalsContact C-N 3.31Å; T315-F317 PolarHBondContact O-N 2.81Å; T315-F318 PolarHBondContact O-N 3.17Å; T315-S319 WeakPolarHBondContact O-CB 3.32Å; T315-S319 PolarHBondContact O-N 2.93Å; T315-S319 PolarHBondContact O-OG 3.23Å; T315-L334 HydrophobicContact CG2-CD1 3.81Å; T315-L334 HydrophobicContact CG2-CG 4.37Å
316L97.5Very high95.1Very high0 Ų073.6 Ų73.60%038%0.376CS..Hα-helixtrans-56.9-43.7176.9-178.573.2000112.1F6 A11 L14 L15 H312 V313 I314 S319 K320 N330 L334F6-L316 HydrophobicContact CE1-CD2 4.46Å; F6-L316 HydrophobicContact CZ-CD2 3.89Å; A11-L316 HydrophobicContact CB-CD1 3.93Å; A11-L316 HydrophobicContact CB-CD2 3.75Å; L14-L316 HydrophobicContact CB-CD2 4.19Å; L14-L316 HydrophobicContact CD1-CD2 4.04Å; L15-L316 HydrophobicContact CD1-CD1 3.96Å; L15-L316 HydrophobicContact CD2-CD1 4.15Å; L15-L316 HydrophobicContact CD2-CG 4.2Å; L15-L316 HydrophobicContact CG-CD1 4.09Å; L15-L316 HydrophobicContact CG-CG 4.46Å; H312-L316 WeakPolarHBondContact O-CB 3.49Å; H312-L316 PolarHBondContact O-N 3.01Å; V313-L316 PolarHBondContact O-N 3.32Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 2.79Å; L316-S319 PolarHBondContact O-OG 3.09Å; L316-K320 WeakPolarHBondContact O-CB 3.4Å; L316-K320 PolarHBondContact O-N 2.99Å; L316-N330 PolarHBondContact O-ND2 3.14Å; L316-N330 VanDerWaalsContact O-ND2 3.11Å; L316-L334 HydrophobicContact CB-CD2 3.82Å; L316-L334 HydrophobicContact CD1-CD2 4.07Å
317F98Very high95.1Very high65 Ų6569.9 Ų69.929%0.28535%0.354SS..Hα-helixtrans-78.8-37.2179.4-72.1-57.1000112.2L14 V313 I314 T315 K320 Y321L14-F317 HydrophobicContact CB-CZ 4.22Å; L14-F317 HydrophobicContact CD1-CE2 4.46Å; L14-F317 HydrophobicContact CD1-CZ 4.17Å; L14-F317 HydrophobicContact CD2-CZ 4.37Å; L14-F317 HydrophobicContact CG-CZ 4.5Å; V313-F317 HydrophobicContact CG1-CD2 3.96Å; V313-F317 HydrophobicContact CG1-CE2 3.78Å; V313-F317 WeakPolarHBondContact O-CD2 3.33Å; V313-F317 PolarHBondContact O-N 3.28Å; I314-F317 PolarHBondContact O-N 2.93Å; T315-F317 VanDerWaalsContact C-N 3.31Å; T315-F317 PolarHBondContact O-N 2.81Å; F317-K320 PolarHBondContact O-N 3.02Å; F317-Y321 HydrophobicContact CB-CD2 4.13Å; F317-Y321 HydrophobicContact CB-CE2 4.31Å; F317-Y321 HydrophobicContact CD1-CD2 4.22Å; F317-Y321 AromaticContact CD1-CE2 3.58Å; F317-Y321 HydrophobicContact CD1-CE2 3.58Å; F317-Y321 HydrophobicContact CE1-CE2 4.33Å; F317-Y321 HydrophobicContact CG-CE2 4.33Å; F317-Y321 WeakPolarHBondContact O-CB 3.3Å; F317-Y321 VanDerWaalsContact O-CD2 3.23Å; F317-Y321 WeakPolarHBondContact O-CD2 3.46Å; F317-Y321 PolarHBondContact O-N 3.12Å
318F97.3Very high95.3Very high105 Ų10564.4 Ų64.446%0.46133%0.326SS..Hα-helixtrans-60.8-48174.3-176.3-90.9000111.4I314 T315 K320 Y321 V322 L323I314-F318 WeakPolarHBondContact O-CB 3.14Å; I314-F318 PolarHBondContact O-N 2.83Å; T315-F318 PolarHBondContact O-N 3.17Å; F318-K320 VanDerWaalsContact C-N 3.3Å; F318-K320 PolarHBondContact O-N 3.13Å; F318-Y321 PolarHBondContact O-N 2.97Å; F318-V322 HydrophobicContact CD1-CB 4.47Å; F318-V322 HydrophobicContact CD2-CB 4.11Å; F318-V322 HydrophobicContact CD2-CG2 3.67Å; F318-V322 HydrophobicContact CE1-CB 4.32Å; F318-V322 HydrophobicContact CE1-CG1 4.38Å; F318-V322 HydrophobicContact CE2-CB 3.96Å; F318-V322 HydrophobicContact CE2-CG1 3.95Å; F318-V322 HydrophobicContact CE2-CG2 3.75Å; F318-V322 HydrophobicContact CG-CB 4.37Å; F318-V322 HydrophobicContact CG-CG2 4.24Å; F318-V322 HydrophobicContact CZ-CB 4.07Å; F318-V322 HydrophobicContact CZ-CG1 3.82Å; F318-V322 HydrophobicContact CZ-CG2 4.38Å; F318-V322 WeakPolarHBondContact O-CA 3.28Å; F318-V322 WeakPolarHBondContact O-CB 3.31Å; F318-V322 PolarHBondContact O-N 3.06Å; F318-L323 HydrophobicContact CD1-CD1 4.32Å; F318-L323 HydrophobicContact CD1-CG 4.23Å; F318-L323 HydrophobicContact CE1-CD1 4.15Å; F318-L323 HydrophobicContact CE1-CD2 4.14Å; F318-L323 HydrophobicContact CE1-CG 3.94Å; F318-L323 PolarHBondContact O-N 3.01Å
319S95.8Very high95.5Very high4 Ų464.1 Ų64.13%0.02832%0.321CS..Hα-helixtrans-64.4-34.2177.357.30000112.4T315 L316 L323 K324 L325 N330T315-S319 WeakPolarHBondContact O-CB 3.32Å; T315-S319 PolarHBondContact O-N 2.93Å; T315-S319 PolarHBondContact O-OG 3.23Å; L316-S319 PolarHBondContact O-OG 3.09Å; S319-L323 CarbonylContact O-C 3.59Å; S319-K324 PolarHBondContact O-N 3.33Å; S319-L325 PolarHBondContact O-N 2.79Å; S319-N330 PolarHBondContact OG-ND2 3.03Å; S319-N330 PolarHBondContact OG-OD1 3.23Å
320K95.9Very high95.8Very high54 Ų5461.6 Ų61.624%0.23531%0.308CS..Hα-helixtrans-69.7-52.1175.5-171.8-170-160.1172.80112.5L15 L316 F317 F318 K324L15-K320 HydrophobicContact CD2-CB 4.11Å; L15-K320 HydrophobicContact CD2-CD 3.5Å; L15-K320 VanDerWaalsContact CD2-CD 3.5Å; L15-K320 HydrophobicContact CD2-CG 3.97Å; L15-K320 PolarHBondContact O-NZ 2.76Å; L316-K320 WeakPolarHBondContact O-CB 3.4Å; L316-K320 PolarHBondContact O-N 2.99Å; F317-K320 PolarHBondContact O-N 3.02Å; F318-K320 VanDerWaalsContact C-N 3.3Å; F318-K320 PolarHBondContact O-N 3.13Å; K320-K324 VanDerWaalsContact O-CA 3.3Å; K320-K324 WeakPolarHBondContact O-CA 3.45Å; K320-K324 PolarHBondContact O-N 3.21Å
321Y96.7Very high95.8Very high154 Ų15457.4 Ų57.460%0.60429%0.286SS*.Hα-helixtrans-91.8-33.7-167.9-67.2-63.5000113.2F317 F318F317-Y321 HydrophobicContact CB-CD2 4.13Å; F317-Y321 HydrophobicContact CB-CE2 4.31Å; F317-Y321 HydrophobicContact CD1-CD2 4.22Å; F317-Y321 AromaticContact CD1-CE2 3.58Å; F317-Y321 HydrophobicContact CD1-CE2 3.58Å; F317-Y321 HydrophobicContact CE1-CE2 4.33Å; F317-Y321 HydrophobicContact CG-CE2 4.33Å; F317-Y321 WeakPolarHBondContact O-CB 3.3Å; F317-Y321 VanDerWaalsContact O-CD2 3.23Å; F317-Y321 WeakPolarHBondContact O-CD2 3.46Å; F317-Y321 PolarHBondContact O-N 3.12Å; F318-Y321 PolarHBondContact O-N 2.97Å
322V97.1Very high95.9Very high88 Ų8854.4 Ų54.453%0.53327%0.267SS..THydrogen-bonded Turntrans-94-53.1-177.7-173.10000110.4F318F318-V322 HydrophobicContact CD1-CB 4.47Å; F318-V322 HydrophobicContact CD2-CB 4.11Å; F318-V322 HydrophobicContact CD2-CG2 3.67Å; F318-V322 HydrophobicContact CE1-CB 4.32Å; F318-V322 HydrophobicContact CE1-CG1 4.38Å; F318-V322 HydrophobicContact CE2-CB 3.96Å; F318-V322 HydrophobicContact CE2-CG1 3.95Å; F318-V322 HydrophobicContact CE2-CG2 3.75Å; F318-V322 HydrophobicContact CG-CB 4.37Å; F318-V322 HydrophobicContact CG-CG2 4.24Å; F318-V322 HydrophobicContact CZ-CB 4.07Å; F318-V322 HydrophobicContact CZ-CG1 3.82Å; F318-V322 HydrophobicContact CZ-CG2 4.38Å; F318-V322 WeakPolarHBondContact O-CA 3.28Å; F318-V322 WeakPolarHBondContact O-CB 3.31Å; F318-V322 PolarHBondContact O-N 3.06Å
323L95.9Very high96Very high100 Ų10054.2 Ų54.252%0.52427%0.268SS..SBendtrans-84.5-12.4-178.6-54.2-178.9000113.6F318 S319 L325F318-L323 HydrophobicContact CD1-CD1 4.32Å; F318-L323 HydrophobicContact CD1-CG 4.23Å; F318-L323 HydrophobicContact CE1-CD1 4.15Å; F318-L323 HydrophobicContact CE1-CD2 4.14Å; F318-L323 HydrophobicContact CE1-CG 3.94Å; F318-L323 PolarHBondContact O-N 3.01Å; S319-L323 CarbonylContact O-C 3.59Å; L323-L325 HydrophobicContact CB-CD2 4.35Å; L323-L325 HydrophobicContact CB-CG 4Å; L323-L325 PolarHBondContact O-N 3.28Å
324K95.2Very high96Very high178 Ų17852.6 Ų52.677%0.77426%0.259SS*.  trans54.935.2178.8-56.1179.4-177.1176.90113.6S319 K320S319-K324 PolarHBondContact O-N 3.33Å; K320-K324 VanDerWaalsContact O-CA 3.3Å; K320-K324 WeakPolarHBondContact O-CA 3.45Å; K320-K324 PolarHBondContact O-N 3.21Å
325L94.9Very high95.9Very high60 Ų6047.8 Ų47.831%0.31423%0.234SC..  trans-69.2141.2176.8-59.5-171.6000110.9S319 L323 D329 N330S319-L325 PolarHBondContact O-N 2.79Å; L323-L325 HydrophobicContact CB-CD2 4.35Å; L323-L325 HydrophobicContact CB-CG 4Å; L323-L325 PolarHBondContact O-N 3.28Å; L325-D329 HydrophobicContact CB-CB 4.43Å; L325-N330 HydrophobicContact CB-CB 4.11Å
326N94.1Very high95.7Very high59 Ų5944.8 Ų44.832%0.31622%0.215SC..  trans-64.9166.3168.566.658.2000110.4M26 I328 D329 N330M26-N326 VanDerWaalsContact CE-ND2 3.33Å; M26-N326 WeakPolarHBondContact CE-ND2 3.18Å; N326-I328 VanDerWaalsContact C-N 3.28Å; N326-I328 PolarHBondContact O-N 3Å; N326-I328 PolarHBondContact OD1-N 2.89Å; N326-I328 VanDerWaalsContact OD1-N 3.07Å; N326-D329 PolarHBondContact ND2-OD2 3.38Å; N326-D329 PolarHBondContact O-N 3.46Å; N326-D329 PolarHBondContact OD1-N 3.38Å; N326-N330 WeakPolarHBondContact O-CB 3.16Å; N326-N330 PolarHBondContact O-N 3.06Å
327A95.4Very high95.4Very high7 Ų747.3 Ų47.36%0.05824%0.236CC..Hα-helixtrans-60.8-35.7-174.500000114L15 V17 E22 I331L15-A327 HydrophobicContact CD1-CB 4.1Å; V17-A327 HydrophobicContact CB-CB 4.32Å; V17-A327 HydrophobicContact CG1-CB 4.3Å; V17-A327 HydrophobicContact CG2-CB 3.68Å; E22-A327 HydrophobicContact CG-CB 4.38Å; A327-I331 WeakPolarHBondContact O-CB 3.38Å; A327-I331 WeakPolarHBondContact O-CG1 3.36Å; A327-I331 PolarHBondContact O-N 2.94Å
328I94.1Very high94.9Very high1 Ų145.3 Ų45.31%0.00523%0.234CC..Hα-helixtrans-70.7-50.5-177.6-54.5-57.3000110.3E22 T23 M26 N326 N330 G332 V355 F356E22-I328 HydrophobicContact CB-CD1 4.06Å; E22-I328 HydrophobicContact CB-CG1 4.23Å; T23-I328 WeakPolarHBondContact OG1-CD1 3.33Å; M26-I328 HydrophobicContact CB-CG1 4.32Å; N326-I328 VanDerWaalsContact C-N 3.28Å; N326-I328 PolarHBondContact O-N 3Å; N326-I328 PolarHBondContact OD1-N 2.89Å; N326-I328 VanDerWaalsContact OD1-N 3.07Å; I328-N330 VanDerWaalsContact C-N 3.31Å; I328-N330 PolarHBondContact O-N 2.97Å; I328-G332 WeakPolarHBondContact O-CA 3.24Å; I328-G332 PolarHBondContact O-N 2.96Å; I328-V355 HydrophobicContact CG2-CG1 3.7Å; I328-V355 HydrophobicContact CG2-CG2 4.31Å; I328-F356 HydrophobicContact CB-CE1 4.3Å; I328-F356 HydrophobicContact CD1-CE1 3.63Å; I328-F356 HydrophobicContact CD1-CE2 4.09Å; I328-F356 HydrophobicContact CD1-CZ 3.36Å; I328-F356 HydrophobicContact CG2-CD1 3.85Å; I328-F356 HydrophobicContact CG2-CD2 4.49Å; I328-F356 HydrophobicContact CG2-CE1 4Å; I328-F356 HydrophobicContact CG2-CG 4.12Å; I328-F356 HydrophobicContact CG2-CZ 4.37Å
329D95.4Very high94.4Very high40 Ų4043 Ų4321%0.21423%0.229CC..Hα-helixtrans-65.5-36.7177.5-70.7-31.3000111.9M26 L325 N326 S333 S359M26-D329 WeakPolarHBondContact CE-OD2 3.34Å; L325-D329 HydrophobicContact CB-CB 4.43Å; N326-D329 PolarHBondContact ND2-OD2 3.38Å; N326-D329 PolarHBondContact O-N 3.46Å; N326-D329 PolarHBondContact OD1-N 3.38Å; D329-S333 WeakPolarHBondContact O-CB 3.38Å; D329-S333 PolarHBondContact O-N 2.9Å; D329-S333 PolarHBondContact O-OG 3.02Å; D329-S359 WeakPolarHBondContact CA-OG 3.34Å; D329-S359 PolarHBondContact O-OG 2.83Å
330N97.1Very high94Very high0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-63-59.9175.7-169.3-15.4000110.9L316 S319 L325 N326 I328 G332 S333 L334L316-N330 PolarHBondContact O-ND2 3.14Å; L316-N330 VanDerWaalsContact O-ND2 3.11Å; S319-N330 PolarHBondContact OG-ND2 3.03Å; S319-N330 PolarHBondContact OG-OD1 3.23Å; L325-N330 HydrophobicContact CB-CB 4.11Å; N326-N330 WeakPolarHBondContact O-CB 3.16Å; N326-N330 PolarHBondContact O-N 3.06Å; I328-N330 VanDerWaalsContact C-N 3.31Å; I328-N330 PolarHBondContact O-N 2.97Å; N330-G332 PolarHBondContact O-N 3.01Å; N330-S333 PolarHBondContact O-N 3.06Å; N330-S333 PolarHBondContact O-OG 3.08Å; N330-L334 VanDerWaalsContact O-CD1 3.27Å; N330-L334 WeakPolarHBondContact O-CD1 3.26Å; N330-L334 PolarHBondContact O-N 3.18Å; N330-L334 WeakPolarHBondContact OD1-CD1 3.31Å
331I96.6Very high93.5Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-64.9-42.7-177.9-69.3166.7000111.1A11 P12 L15 L19 A327 S333 L334 T335 V347 F356A11-I331 HydrophobicContact CB-CD1 4.42Å; A11-I331 HydrophobicContact CB-CG1 4.35Å; P12-I331 HydrophobicContact CG-CD1 3.92Å; L15-I331 HydrophobicContact CD1-CD1 4.23Å; L15-I331 HydrophobicContact CD1-CG1 4.34Å; L19-I331 HydrophobicContact CD1-CD1 4.37Å; L19-I331 HydrophobicContact CD2-CD1 3.59Å; A327-I331 WeakPolarHBondContact O-CB 3.38Å; A327-I331 WeakPolarHBondContact O-CG1 3.36Å; A327-I331 PolarHBondContact O-N 2.94Å; I331-S333 PolarHBondContact O-N 3.28Å; I331-L334 PolarHBondContact O-N 3.31Å; I331-T335 WeakPolarHBondContact O-CG2 3.41Å; I331-T335 PolarHBondContact O-N 3.3Å; I331-V347 HydrophobicContact CG2-CG1 4.05Å; I331-V347 HydrophobicContact CG2-CG2 4.5Å; I331-F356 HydrophobicContact CB-CD1 4.45Å; I331-F356 HydrophobicContact CB-CE1 4.23Å; I331-F356 HydrophobicContact CG2-CD1 4.34Å; I331-F356 HydrophobicContact CG2-CE1 4.2Å
332G94.9Very high93Very high0 Ų041.1 Ų41.10%024%0.239CC..Hα-helixtrans-60-46.9177.800000111.9I328 N330 L334 T335 G336 S359 F360I328-G332 WeakPolarHBondContact O-CA 3.24Å; I328-G332 PolarHBondContact O-N 2.96Å; N330-G332 PolarHBondContact O-N 3.01Å; G332-L334 PolarHBondContact O-N 2.79Å; G332-T335 PolarHBondContact O-N 3.25Å; G332-T335 PolarHBondContact O-OG1 3.42Å; G332-G336 PolarHBondContact O-N 3.36Å; G332-G336 VanDerWaalsContact O-N 3.11Å; G332-S359 WeakPolarHBondContact CA-OG 3.44Å; G332-F360 WeakPolarHBondContact O-CA 3.45Å
333S95.9Very high92.7Very high22 Ų2236.9 Ų36.915%0.15421%0.213CC..Hα-helixtrans-64-36.4174.964.20000113.1D329 N330 I331 G336 A337 S359 A363D329-S333 WeakPolarHBondContact O-CB 3.38Å; D329-S333 PolarHBondContact O-N 2.9Å; D329-S333 PolarHBondContact O-OG 3.02Å; N330-S333 PolarHBondContact O-N 3.06Å; N330-S333 PolarHBondContact O-OG 3.08Å; I331-S333 PolarHBondContact O-N 3.28Å; S333-G336 PolarHBondContact O-N 3.1Å; S333-A337 WeakPolarHBondContact O-CB 3.35Å; S333-A337 PolarHBondContact O-N 3.09Å; S333-S359 PolarHBondContact N-OG 3.36Å; S333-A363 VanDerWaalsContact O-CB 3.31Å; S333-A363 WeakPolarHBondContact O-CB 3.38Å
334L95.9Very high92.4Very high3 Ų332.7 Ų32.72%0.01619%0.191CC..Hα-helixtrans-64.4-40.1174.7-97.468.8000112.3L7 H312 T315 L316 N330 I331 G332 G336 G338L7-L334 HydrophobicContact CD1-CB 4.35Å; L7-L334 HydrophobicContact CD2-CB 3.79Å; L7-L334 HydrophobicContact CD2-CD2 3.61Å; L7-L334 HydrophobicContact CD2-CG 4.32Å; H312-L334 HydrophobicContact CB-CD2 4.48Å; H312-L334 WeakPolarHBondContact O-CD2 3.34Å; T315-L334 HydrophobicContact CG2-CD1 3.81Å; T315-L334 HydrophobicContact CG2-CG 4.37Å; L316-L334 HydrophobicContact CB-CD2 3.82Å; L316-L334 HydrophobicContact CD1-CD2 4.07Å; N330-L334 VanDerWaalsContact O-CD1 3.27Å; N330-L334 WeakPolarHBondContact O-CD1 3.26Å; N330-L334 PolarHBondContact O-N 3.18Å; N330-L334 WeakPolarHBondContact OD1-CD1 3.31Å; I331-L334 PolarHBondContact O-N 3.31Å; G332-L334 PolarHBondContact O-N 2.79Å; L334-G336 VanDerWaalsContact C-N 3.25Å; L334-G336 PolarHBondContact O-N 3.43Å; L334-G338 PolarHBondContact O-N 3.34Å
335T94.3Very high91.8Very high0 Ų029.2 Ų29.20%018%0.181CC..Hα-helixtrans-63.1-35.4174.464.80000111.8L7 I331 G332 T339 I340 A343 F360L7-T335 HydrophobicContact CD1-CG2 3.75Å; I331-T335 WeakPolarHBondContact O-CG2 3.41Å; I331-T335 PolarHBondContact O-N 3.3Å; G332-T335 PolarHBondContact O-N 3.25Å; G332-T335 PolarHBondContact O-OG1 3.42Å; T335-T339 PolarHBondContact O-N 2.77Å; T335-I340 PolarHBondContact O-N 3.49Å; T335-A343 HydrophobicContact CG2-CB 3.72Å; T335-F360 WeakPolarHBondContact OG1-CD2 3.39Å
336G91.5Very high91.5Very high0 Ų027.1 Ų27.10%017%0.173CC..Hα-helixtrans-70.8-52176.200000112.7G332 S333 L334 G338 T339 Y364G332-G336 PolarHBondContact O-N 3.36Å; G332-G336 VanDerWaalsContact O-N 3.11Å; S333-G336 PolarHBondContact O-N 3.1Å; L334-G336 VanDerWaalsContact C-N 3.25Å; L334-G336 PolarHBondContact O-N 3.43Å; G336-G338 VanDerWaalsContact C-N 3.28Å; G336-G338 PolarHBondContact O-N 2.77Å; G336-T339 WeakPolarHBondContact O-CA 3.31Å; G336-T339 PolarHBondContact O-N 2.92Å; G336-Y364 WeakPolarHBondContact O-CA 3.28Å
337A90.9Very high91.4Very high54 Ų5424.3 Ų24.345%0.44616%0.158SC..Hα-helixtrans-59.7-37.3-179.700000112.5S333 T339S333-A337 WeakPolarHBondContact O-CB 3.35Å; S333-A337 PolarHBondContact O-N 3.09Å; A337-T339 VanDerWaalsContact C-N 3.27Å; A337-T339 PolarHBondContact O-N 2.74Å
338G88.2Confident91Very high22 Ų2225 Ų2523%0.22716%0.162CC..THydrogen-bonded Turntrans-79.4-4174.300000114.4L334 G336 I340L334-G338 PolarHBondContact O-N 3.34Å; G336-G338 VanDerWaalsContact C-N 3.28Å; G336-G338 PolarHBondContact O-N 2.77Å; G338-I340 VanDerWaalsContact C-CG1 3.47Å; G338-I340 VanDerWaalsContact C-N 3.26Å; G338-I340 WeakPolarHBondContact O-CG1 3.11Å; G338-I340 PolarHBondContact O-N 3.32Å
339T86.4Confident90.6Very high58 Ų5831.7 Ų31.736%0.35619%0.193SC..THydrogen-bonded Turntrans56.633.9-173.664.80000114.1T335 G336 A337 N341 Y364 N368T335-T339 PolarHBondContact O-N 2.77Å; G336-T339 WeakPolarHBondContact O-CA 3.31Å; G336-T339 PolarHBondContact O-N 2.92Å; A337-T339 VanDerWaalsContact C-N 3.27Å; A337-T339 PolarHBondContact O-N 2.74Å; T339-N341 PolarHBondContact O-N 2.88Å; T339-Y364 HydrophobicContact CG2-CD2 3.95Å; T339-Y364 HydrophobicContact CG2-CE2 3.86Å; T339-N368 WeakPolarHBondContact CG2-OD1 3.48Å
340I87.8Confident90.3Very high32 Ų3233.6 Ų33.616%0.16420%0.201CC..  trans-103.575.8-169.8-41.4-177.9000110.8V3 T335 G338 A342 A343 L344V3-I340 HydrophobicContact CB-CD1 3.64Å; V3-I340 HydrophobicContact CG1-CD1 3.28Å; V3-I340 HydrophobicContact CG2-CD1 4.32Å; T335-I340 PolarHBondContact O-N 3.49Å; G338-I340 VanDerWaalsContact C-CG1 3.47Å; G338-I340 VanDerWaalsContact C-N 3.26Å; G338-I340 WeakPolarHBondContact O-CG1 3.11Å; G338-I340 PolarHBondContact O-N 3.32Å; I340-A342 PolarHBondContact O-N 2.97Å; I340-A342 VanDerWaalsContact O-N 3.15Å; I340-A343 HydrophobicContact CB-CB 3.96Å; I340-A343 HydrophobicContact CG2-CB 3.63Å; I340-A343 WeakPolarHBondContact O-CA 3.48Å; I340-A343 WeakPolarHBondContact O-CB 3.4Å; I340-A343 PolarHBondContact O-N 3.38Å; I340-L344 PolarHBondContact O-N 3.17Å
341N84.9Confident89.8Confident80 Ų8034.4 Ų34.443%0.42821%0.206SC..Hα-helixtrans-53.6-36.3177.3-71.9-26.2000112.9T339 A343 L344 N345 F360T339-N341 PolarHBondContact O-N 2.88Å; N341-A343 PolarHBondContact O-N 2.81Å; N341-L344 PolarHBondContact O-N 2.98Å; N341-N345 PolarHBondContact O-N 2.65Å; N341-F360 WeakPolarHBondContact OD1-CZ 3.45Å
342A85.6Confident89.2Confident59 Ų5942.2 Ų42.249%0.48824%0.242SC..Hα-helixtrans-61.7-33176.400000112.7I340 A346I340-A342 PolarHBondContact O-N 2.97Å; I340-A342 VanDerWaalsContact O-N 3.15Å; A342-A346 VanDerWaalsContact O-CB 3.26Å; A342-A346 WeakPolarHBondContact O-CB 3.12Å; A342-A346 PolarHBondContact O-N 2.88Å; A342-A346 VanDerWaalsContact O-N 3.08Å
343A91Very high88.5Confident0 Ų043.4 Ų43.40%025%0.25CS..Hα-helixtrans-74.9-39.5176.400000111.9T4 L7 T335 I340 N341 A346 V347T4-A343 HydrophobicContact CG2-CB 4.16Å; L7-A343 HydrophobicContact CD1-CB 4.04Å; T335-A343 HydrophobicContact CG2-CB 3.72Å; I340-A343 HydrophobicContact CB-CB 3.96Å; I340-A343 HydrophobicContact CG2-CB 3.63Å; I340-A343 WeakPolarHBondContact O-CA 3.48Å; I340-A343 WeakPolarHBondContact O-CB 3.4Å; I340-A343 PolarHBondContact O-N 3.38Å; N341-A343 PolarHBondContact O-N 2.81Å; A343-A346 PolarHBondContact O-N 2.98Å; A343-V347 WeakPolarHBondContact O-CG2 3.1Å; A343-V347 PolarHBondContact O-N 3.18Å; A343-V347 VanDerWaalsContact O-N 3.1Å
344L90.2Very high87.9Confident12 Ų1246.6 Ų46.66%0.06327%0.273CS..Hα-helixtrans-57.4-51171.7178.566.9000110.8I340 N341 A346 V347 S348 F356 F360I340-L344 PolarHBondContact O-N 3.17Å; N341-L344 PolarHBondContact O-N 2.98Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 2.92Å; L344-V347 WeakPolarHBondContact O-CG2 3.26Å; L344-V347 PolarHBondContact O-N 3.48Å; L344-S348 WeakPolarHBondContact O-CB 3.5Å; L344-S348 PolarHBondContact O-N 2.93Å; L344-S348 PolarHBondContact O-OG 3.01Å; L344-F356 HydrophobicContact CD1-CB 3.66Å; L344-F360 HydrophobicContact CB-CD2 4.22Å; L344-F360 HydrophobicContact CB-CE2 4.43Å; L344-F360 HydrophobicContact CD1-CB 4.09Å; L344-F360 HydrophobicContact CD1-CD2 4.33Å; L344-F360 HydrophobicContact CD1-CG 4.3Å; L344-F360 HydrophobicContact CD2-CB 4.24Å; L344-F360 HydrophobicContact CD2-CD1 3.84Å; L344-F360 HydrophobicContact CD2-CD2 3.73Å; L344-F360 HydrophobicContact CD2-CE1 4.15Å; L344-F360 HydrophobicContact CD2-CE2 4.03Å; L344-F360 HydrophobicContact CD2-CG 3.65Å; L344-F360 HydrophobicContact CD2-CZ 4.26Å; L344-F360 HydrophobicContact CG-CD2 4.31Å; L344-F360 HydrophobicContact CG-CG 4.47Å
345N83.1Confident87.5Confident104 Ų10446.6 Ų46.656%0.55627%0.273SS*.Hα-helixtrans-59.1-42.8178.8-69.3-11.8000111.6N341 V347 S348 E349N341-N345 PolarHBondContact O-N 2.65Å; N345-V347 PolarHBondContact O-N 2.81Å; N345-S348 PolarHBondContact O-N 2.8Å; N345-E349 VanDerWaalsContact O-CB 3.28Å; N345-E349 WeakPolarHBondContact O-CB 3.37Å; N345-E349 PolarHBondContact O-N 2.82Å
346A89.1Confident87.3Confident17 Ų1746.6 Ų46.614%0.1427%0.273CS..Hα-helixtrans-66.8-34.4-177.600000113.7T4 K8 A342 A343 L344 E350T4-A346 HydrophobicContact CG2-CB 4.09Å; K8-A346 HydrophobicContact CD-CB 4.14Å; A342-A346 VanDerWaalsContact O-CB 3.26Å; A342-A346 WeakPolarHBondContact O-CB 3.12Å; A342-A346 PolarHBondContact O-N 2.88Å; A342-A346 VanDerWaalsContact O-N 3.08Å; A343-A346 PolarHBondContact O-N 2.98Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 2.92Å; A346-E350 WeakPolarHBondContact O-CB 3.46Å; A346-E350 PolarHBondContact O-N 3.13Å
347V92.1Very high87Confident0 Ų048.5 Ų48.50%029%0.287CS..Hα-helixtrans-78.1-37.6174.4-62.40000111.7K8 I331 A343 L344 N345 E350 T351 F356K8-V347 HydrophobicContact CB-CG1 4.27Å; K8-V347 HydrophobicContact CG-CG1 4.39Å; I331-V347 HydrophobicContact CG2-CG1 4.05Å; I331-V347 HydrophobicContact CG2-CG2 4.5Å; A343-V347 WeakPolarHBondContact O-CG2 3.1Å; A343-V347 PolarHBondContact O-N 3.18Å; A343-V347 VanDerWaalsContact O-N 3.1Å; L344-V347 WeakPolarHBondContact O-CG2 3.26Å; L344-V347 PolarHBondContact O-N 3.48Å; N345-V347 PolarHBondContact O-N 2.81Å; V347-E350 PolarHBondContact O-N 3.48Å; V347-T351 PolarHBondContact O-N 3.29Å; V347-T351 VanDerWaalsContact O-N 3.13Å; V347-T351 PolarHBondContact O-OG1 2.82Å; V347-F356 HydrophobicContact CB-CE2 4.48Å; V347-F356 HydrophobicContact CB-CZ 4.4Å; V347-F356 HydrophobicContact CG2-CB 4.31Å; V347-F356 HydrophobicContact CG2-CD1 3.99Å; V347-F356 HydrophobicContact CG2-CD2 4.08Å; V347-F356 HydrophobicContact CG2-CE1 4.29Å; V347-F356 HydrophobicContact CG2-CE2 4.4Å; V347-F356 HydrophobicContact CG2-CG 3.87Å; V347-F356 HydrophobicContact CG2-CZ 4.49Å
348S85.8Confident86.8Confident21 Ų2150.3 Ų50.315%0.14729%0.287CS..Hα-helixtrans-66.3-38.1176.6-80.70000113.1L344 N345 Q352 S353L344-S348 WeakPolarHBondContact O-CB 3.5Å; L344-S348 PolarHBondContact O-N 2.93Å; L344-S348 PolarHBondContact O-OG 3.01Å; N345-S348 PolarHBondContact O-N 2.8Å; S348-Q352 CarbonylContact O-C 3.49Å; S348-Q352 VanDerWaalsContact O-CA 3.28Å; S348-Q352 WeakPolarHBondContact O-CA 3.18Å; S348-Q352 PolarHBondContact O-N 2.94Å; S348-S353 VanDerWaalsContact CA-O 3.27Å; S348-S353 WeakPolarHBondContact CA-O 3.36Å; S348-S353 WeakPolarHBondContact CB-O 3.43Å; S348-S353 PolarHBondContact O-N 2.8Å; S348-S353 PolarHBondContact OG-O 2.95Å
349E84.9Confident86.9Confident142 Ų14249.8 Ų49.866%0.66428%0.281SS*.Hα-helixtrans-67.9-39.9174.8-174.1177-168.500111.4N345 T351 Q352N345-E349 VanDerWaalsContact O-CB 3.28Å; N345-E349 WeakPolarHBondContact O-CB 3.37Å; N345-E349 PolarHBondContact O-N 2.82Å; E349-T351 VanDerWaalsContact C-N 3.32Å; E349-T351 PolarHBondContact O-N 2.83Å; E349-Q352 PolarHBondContact O-N 3.49Å; E349-Q352 PolarHBondContact O-NE2 2.94Å
350E89.2Confident87.1Confident80 Ų8048 Ų4837%0.37427%0.268SS..Hα-helixtrans-64.4-37178.5-172.963.4-130.800112.4K8 K20 A346 V347K8-E350 WeakPolarHBondContact CE-OE2 3.5Å; K8-E350 IonicContact NZ-OE2 2.81Å; K8-E350 PolarHBondContact NZ-OE2 3.33Å; K20-E350 WeakPolarHBondContact CE-O 3.45Å; K20-E350 IonicContact NZ-OE1 2.82Å; A346-E350 WeakPolarHBondContact O-CB 3.46Å; A346-E350 PolarHBondContact O-N 3.13Å; V347-E350 PolarHBondContact O-N 3.48Å
351T88Confident86.9Confident17 Ų1750.7 Ų50.710%0.10429%0.286CS..Hα-helixtrans-97.5-2.9-179.366.90000114L19 K20 T23 V347 E349 S353 F356L19-T351 HydrophobicContact CB-CG2 3.71Å; K20-T351 HydrophobicContact CG-CG2 4.48Å; T23-T351 WeakPolarHBondContact OG1-CG2 3.11Å; V347-T351 PolarHBondContact O-N 3.29Å; V347-T351 VanDerWaalsContact O-N 3.13Å; V347-T351 PolarHBondContact O-OG1 2.82Å; E349-T351 VanDerWaalsContact C-N 3.32Å; E349-T351 PolarHBondContact O-N 2.83Å; T351-S353 PolarHBondContact O-N 3.07Å; T351-F356 HydrophobicContact CG2-CE2 3.97Å; T351-F356 HydrophobicContact CG2-CZ 4.21Å; T351-F356 WeakPolarHBondContact OG1-CE2 3.32Å
352Q83.2Confident87Confident164 Ų16450.1 Ų50.177%0.76629%0.286SS*.THydrogen-bonded Turntrans52.637.2-173.7-61.6-69.9-54.500112.6S348 E349S348-Q352 CarbonylContact O-C 3.49Å; S348-Q352 VanDerWaalsContact O-CA 3.28Å; S348-Q352 WeakPolarHBondContact O-CA 3.18Å; S348-Q352 PolarHBondContact O-N 2.94Å; E349-Q352 PolarHBondContact O-N 3.49Å; E349-Q352 PolarHBondContact O-NE2 2.94Å
353S80.1Confident87.3Confident24 Ų2448.1 Ų48.117%0.16827%0.27CS..  trans-145137.2-176.8-178.30000112.9S348 T351 V355S348-S353 VanDerWaalsContact CA-O 3.27Å; S348-S353 WeakPolarHBondContact CA-O 3.36Å; S348-S353 WeakPolarHBondContact CB-O 3.43Å; S348-S353 PolarHBondContact O-N 2.8Å; S348-S353 PolarHBondContact OG-O 2.95Å; T351-S353 PolarHBondContact O-N 3.07Å; S353-V355 VanDerWaalsContact C-N 3.26Å; S353-V355 PolarHBondContact O-N 2.92Å; S353-V355 WeakPolarHBondContact OG-CB 3.29Å; S353-V355 WeakPolarHBondContact OG-CG1 3.47Å; S353-V355 PolarHBondContact OG-N 2.98Å
354S84.3Confident87Confident89 Ų8952.3 Ų52.362%0.62229%0.286SS*.  trans-82.61.7174.961.70000113.5F356 S357S354-F356 PolarHBondContact O-N 3.37Å; S354-F356 VanDerWaalsContact O-N 3.07Å; S354-S357 WeakPolarHBondContact O-CB 3.38Å; S354-S357 PolarHBondContact O-N 3.49Å; S354-S357 PolarHBondContact O-OG 3.46Å
355V87.4Confident86.7Confident4 Ų454 Ų542%0.02430%0.302CS..THydrogen-bonded Turntrans-55.2-32.1-17169.80000114T23 M26 V27 L30 I328 S353 S357 I358T23-V355 HydrophobicContact CG2-CG1 3.91Å; M26-V355 HydrophobicContact CB-CG2 4.42Å; M26-V355 HydrophobicContact CG-CG2 3.71Å; V27-V355 HydrophobicContact CG2-CB 4.37Å; L30-V355 HydrophobicContact CD1-CG2 3.96Å; I328-V355 HydrophobicContact CG2-CG1 3.7Å; I328-V355 HydrophobicContact CG2-CG2 4.31Å; S353-V355 VanDerWaalsContact C-N 3.26Å; S353-V355 PolarHBondContact O-N 2.92Å; S353-V355 WeakPolarHBondContact OG-CB 3.29Å; S353-V355 WeakPolarHBondContact OG-CG1 3.47Å; S353-V355 PolarHBondContact OG-N 2.98Å; V355-S357 PolarHBondContact O-N 3.19Å; V355-S357 VanDerWaalsContact O-N 3.14Å; V355-I358 HydrophobicContact CG2-CD1 4.05Å; V355-I358 WeakPolarHBondContact O-CB 3.5Å; V355-I358 WeakPolarHBondContact O-CG1 3.43Å; V355-I358 PolarHBondContact O-N 2.82Å
356F90.1Very high86.7Confident0 Ų054 Ų540%030%0.301CS..THydrogen-bonded Turntrans-59.8-23.4175.1-64.4-91.9000113.4L19 I328 I331 L344 V347 T351 S354 I358 S359 F360L19-F356 HydrophobicContact CD1-CZ 4.45Å; L19-F356 HydrophobicContact CD2-CZ 4.49Å; I328-F356 HydrophobicContact CB-CE1 4.3Å; I328-F356 HydrophobicContact CD1-CE1 3.63Å; I328-F356 HydrophobicContact CD1-CE2 4.09Å; I328-F356 HydrophobicContact CD1-CZ 3.36Å; I328-F356 HydrophobicContact CG2-CD1 3.85Å; I328-F356 HydrophobicContact CG2-CD2 4.49Å; I328-F356 HydrophobicContact CG2-CE1 4Å; I328-F356 HydrophobicContact CG2-CG 4.12Å; I328-F356 HydrophobicContact CG2-CZ 4.37Å; I331-F356 HydrophobicContact CB-CD1 4.45Å; I331-F356 HydrophobicContact CB-CE1 4.23Å; I331-F356 HydrophobicContact CG2-CD1 4.34Å; I331-F356 HydrophobicContact CG2-CE1 4.2Å; L344-F356 HydrophobicContact CD1-CB 3.66Å; V347-F356 HydrophobicContact CB-CE2 4.48Å; V347-F356 HydrophobicContact CB-CZ 4.4Å; V347-F356 HydrophobicContact CG2-CB 4.31Å; V347-F356 HydrophobicContact CG2-CD1 3.99Å; V347-F356 HydrophobicContact CG2-CD2 4.08Å; V347-F356 HydrophobicContact CG2-CE1 4.29Å; V347-F356 HydrophobicContact CG2-CE2 4.4Å; V347-F356 HydrophobicContact CG2-CG 3.87Å; V347-F356 HydrophobicContact CG2-CZ 4.49Å; T351-F356 HydrophobicContact CG2-CE2 3.97Å; T351-F356 HydrophobicContact CG2-CZ 4.21Å; T351-F356 WeakPolarHBondContact OG1-CE2 3.32Å; S354-F356 PolarHBondContact O-N 3.37Å; S354-F356 VanDerWaalsContact O-N 3.07Å; F356-I358 PolarHBondContact O-N 3.2Å; F356-S359 PolarHBondContact O-N 3.2Å; F356-S359 PolarHBondContact O-OG 2.92Å; F356-F360 WeakPolarHBondContact O-CB 3.49Å; F356-F360 PolarHBondContact O-N 2.96Å
357S84.3Confident86.5Confident40 Ų4053.9 Ų53.928%0.2830%0.302SS..Hα-helixtrans-65.1-23.8179.9-54.30000112.7S354 V355 T361S354-S357 WeakPolarHBondContact O-CB 3.38Å; S354-S357 PolarHBondContact O-N 3.49Å; S354-S357 PolarHBondContact O-OG 3.46Å; V355-S357 PolarHBondContact O-N 3.19Å; V355-S357 VanDerWaalsContact O-N 3.14Å; S357-T361 PolarHBondContact O-N 2.77Å; S357-T361 VanDerWaalsContact O-N 3.15Å; S357-T361 PolarHBondContact O-OG1 3.48Å
358I86.7Confident85.9Confident91 Ų9155.5 Ų55.547%0.46731%0.311SS..Hα-helixtrans-63.1-47.4179.8-63.8173.1000110.4L30 I32 V355 F356 P362L30-I358 HydrophobicContact CD1-CD1 3.76Å; I32-I358 HydrophobicContact CD1-CD1 4.26Å; V355-I358 HydrophobicContact CG2-CD1 4.05Å; V355-I358 WeakPolarHBondContact O-CB 3.5Å; V355-I358 WeakPolarHBondContact O-CG1 3.43Å; V355-I358 PolarHBondContact O-N 2.82Å; F356-I358 PolarHBondContact O-N 3.2Å; I358-P362 WeakPolarHBondContact O-CD 3.33Å
359S91.3Very high85.5Confident12 Ų1257.4 Ų57.48%0.08432%0.321CS..Hα-helixtrans-84.6-28.2177.6550000112.9D329 G332 S333 F356 P362 A363D329-S359 WeakPolarHBondContact CA-OG 3.34Å; D329-S359 PolarHBondContact O-OG 2.83Å; G332-S359 WeakPolarHBondContact CA-OG 3.44Å; S333-S359 PolarHBondContact N-OG 3.36Å; F356-S359 PolarHBondContact O-N 3.2Å; F356-S359 PolarHBondContact O-OG 2.92Å; S359-P362 WeakPolarHBondContact O-CD 3.47Å; S359-A363 WeakPolarHBondContact O-CB 3.38Å; S359-A363 PolarHBondContact O-N 3.44Å
360F90.3Very high85.3Confident21 Ų2155.3 Ų55.39%0.09231%0.314CS..Hα-helixtrans-56.3-49.8174.1168.6-91.7000112.6G332 T335 N341 L344 F356 A363 Y364G332-F360 WeakPolarHBondContact O-CA 3.45Å; T335-F360 WeakPolarHBondContact OG1-CD2 3.39Å; N341-F360 WeakPolarHBondContact OD1-CZ 3.45Å; L344-F360 HydrophobicContact CB-CD2 4.22Å; L344-F360 HydrophobicContact CB-CE2 4.43Å; L344-F360 HydrophobicContact CD1-CB 4.09Å; L344-F360 HydrophobicContact CD1-CD2 4.33Å; L344-F360 HydrophobicContact CD1-CG 4.3Å; L344-F360 HydrophobicContact CD2-CB 4.24Å; L344-F360 HydrophobicContact CD2-CD1 3.84Å; L344-F360 HydrophobicContact CD2-CD2 3.73Å; L344-F360 HydrophobicContact CD2-CE1 4.15Å; L344-F360 HydrophobicContact CD2-CE2 4.03Å; L344-F360 HydrophobicContact CD2-CG 3.65Å; L344-F360 HydrophobicContact CD2-CZ 4.26Å; L344-F360 HydrophobicContact CG-CD2 4.31Å; L344-F360 HydrophobicContact CG-CG 4.47Å; F356-F360 WeakPolarHBondContact O-CB 3.49Å; F356-F360 PolarHBondContact O-N 2.96Å; F360-A363 PolarHBondContact O-N 3.25Å; F360-Y364 HydrophobicContact CE1-CD2 4.38Å; F360-Y364 HydrophobicContact CE1-CG 4.24Å; F360-Y364 HydrophobicContact CE2-CD2 4.27Å; F360-Y364 AromaticContact CZ-CD2 3.7Å; F360-Y364 HydrophobicContact CZ-CD2 3.7Å; F360-Y364 HydrophobicContact CZ-CE2 4.43Å; F360-Y364 HydrophobicContact CZ-CG 4.01Å; F360-Y364 VanDerWaalsContact O-CB 3.28Å; F360-Y364 WeakPolarHBondContact O-CB 3.38Å; F360-Y364 PolarHBondContact O-N 3.1Å
361T83.5Confident84.8Confident88 Ų8856.9 Ų56.954%0.5432%0.324SS..Hα-helixtrans-59.3-53.5-169.8-57.70000113.6S357 A363 Y364 A365S357-T361 PolarHBondContact O-N 2.77Å; S357-T361 VanDerWaalsContact O-N 3.15Å; S357-T361 PolarHBondContact O-OG1 3.48Å; T361-A363 PolarHBondContact O-N 2.92Å; T361-Y364 PolarHBondContact O-N 3.11Å; T361-A365 PolarHBondContact O-N 2.96Å; T361-A365 VanDerWaalsContact O-N 3.14Å
362P86.1Confident84.1Confident67 Ų6758.2 Ų58.244%0.43533%0.332SS..Hα-helixtrans-65.5-38.1177.625.2-33.7000112.3I358 S359 Y364 A365 I366I358-P362 WeakPolarHBondContact O-CD 3.33Å; S359-P362 WeakPolarHBondContact O-CD 3.47Å; P362-Y364 VanDerWaalsContact C-N 3.34Å; P362-Y364 PolarHBondContact O-N 3.37Å; P362-A365 PolarHBondContact O-N 3.03Å; P362-I366 WeakPolarHBondContact O-CG1 3.42Å; P362-I366 PolarHBondContact O-N 3.14Å
363A91.7Very high83.8Confident18 Ų1853.3 Ų53.315%0.14931%0.311CS..Hα-helixtrans-64.7-38.7178.100000112.2S333 S359 F360 T361 G367S333-A363 VanDerWaalsContact O-CB 3.31Å; S333-A363 WeakPolarHBondContact O-CB 3.38Å; S359-A363 WeakPolarHBondContact O-CB 3.38Å; S359-A363 PolarHBondContact O-N 3.44Å; F360-A363 PolarHBondContact O-N 3.25Å; T361-A363 PolarHBondContact O-N 2.92Å; A363-G367 WeakPolarHBondContact O-CA 3.37Å; A363-G367 PolarHBondContact O-N 3.39Å
364Y86.3Confident83.7Confident87 Ų8756.5 Ų56.534%0.34132%0.324SS..Hα-helixtrans-62.6-44.4174178.9-90.8000112G336 T339 F360 T361 P362 N368G336-Y364 WeakPolarHBondContact O-CA 3.28Å; T339-Y364 HydrophobicContact CG2-CD2 3.95Å; T339-Y364 HydrophobicContact CG2-CE2 3.86Å; F360-Y364 HydrophobicContact CE1-CD2 4.38Å; F360-Y364 HydrophobicContact CE1-CG 4.24Å; F360-Y364 HydrophobicContact CE2-CD2 4.27Å; F360-Y364 AromaticContact CZ-CD2 3.7Å; F360-Y364 HydrophobicContact CZ-CD2 3.7Å; F360-Y364 HydrophobicContact CZ-CE2 4.43Å; F360-Y364 HydrophobicContact CZ-CG 4.01Å; F360-Y364 VanDerWaalsContact O-CB 3.28Å; F360-Y364 WeakPolarHBondContact O-CB 3.38Å; F360-Y364 PolarHBondContact O-N 3.1Å; T361-Y364 PolarHBondContact O-N 3.11Å; P362-Y364 VanDerWaalsContact C-N 3.34Å; P362-Y364 PolarHBondContact O-N 3.37Å; Y364-N368 WeakPolarHBondContact CE1-ND2 3.36Å; Y364-N368 PolarHBondContact O-N 3.02Å; Y364-N368 PolarHBondContact O-ND2 2.88Å; Y364-N368 PolarHBondContact OH-ND2 3.01Å
365A82.3Confident83.3Confident48 Ų4854.1 Ų54.140%0.39731%0.314SS..Hα-helixtrans-63.2-50.6178.600000111.7T361 P362 N368 V369T361-A365 PolarHBondContact O-N 2.96Å; T361-A365 VanDerWaalsContact O-N 3.14Å; P362-A365 PolarHBondContact O-N 3.03Å; A365-N368 PolarHBondContact O-N 3.05Å; A365-V369 WeakPolarHBondContact O-CG2 3.18Å; A365-V369 PolarHBondContact O-N 3.32Å
366I84.9Confident82.5Confident103 Ų10356.1 Ų56.153%0.52833%0.327SS..Hα-helixtrans-64.3-43.2178.5-64.7169.7000110.6P362 N368 V369 L370P362-I366 WeakPolarHBondContact O-CG1 3.42Å; P362-I366 PolarHBondContact O-N 3.14Å; I366-N368 VanDerWaalsContact C-N 3.34Å; I366-N368 PolarHBondContact O-N 3.34Å; I366-V369 PolarHBondContact O-N 3.15Å; I366-L370 HydrophobicContact CG2-CD1 3.76Å; I366-L370 HydrophobicContact CG2-CG 4.13Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.43Å
367G83.6Confident82Confident15 Ų1558.3 Ų58.316%0.15534%0.338CS..Hα-helixtrans-56.6-45.8178.500000112.2A363 L370 L371A363-G367 WeakPolarHBondContact O-CA 3.37Å; A363-G367 PolarHBondContact O-N 3.39Å; G367-L370 PolarHBondContact O-N 3.21Å; G367-L371 WeakPolarHBondContact O-CB 3.17Å; G367-L371 PolarHBondContact O-N 3.16Å
368N79.4Confident81.8Confident35 Ų3559.4 Ų59.419%0.18734%0.343CS..Hα-helixtrans-65-40.2176.5-79.9-34.3000113.1T339 Y364 A365 I366 T372T339-N368 WeakPolarHBondContact CG2-OD1 3.48Å; Y364-N368 WeakPolarHBondContact CE1-ND2 3.36Å; Y364-N368 PolarHBondContact O-N 3.02Å; Y364-N368 PolarHBondContact O-ND2 2.88Å; Y364-N368 PolarHBondContact OH-ND2 3.01Å; A365-N368 PolarHBondContact O-N 3.05Å; I366-N368 VanDerWaalsContact C-N 3.34Å; I366-N368 PolarHBondContact O-N 3.34Å; N368-T372 WeakPolarHBondContact O-CB 3.28Å; N368-T372 PolarHBondContact O-N 3.13Å; N368-T372 PolarHBondContact O-OG1 2.78Å
369V77.2Confident81.2Confident60 Ų6060 Ų6036%0.36435%0.351SS..Hα-helixtrans-62.9-49.6176.1172.90000110.5L242 A365 I366 T372 I373L242-V369 HydrophobicContact CD2-CG2 3.37Å; A365-V369 WeakPolarHBondContact O-CG2 3.18Å; A365-V369 PolarHBondContact O-N 3.32Å; I366-V369 PolarHBondContact O-N 3.15Å; V369-T372 PolarHBondContact O-N 3.49Å; V369-I373 HydrophobicContact CG1-CD1 4.07Å; V369-I373 WeakPolarHBondContact O-CG1 3.44Å; V369-I373 PolarHBondContact O-N 3.07Å
370L81.9Confident80.4Confident98 Ų9861 Ų6151%0.51336%0.36SS..Hα-helixtrans-63.8-46.7179.4-69.9177.6000111.2I366 G367 T372 I373 M374I366-L370 HydrophobicContact CG2-CD1 3.76Å; I366-L370 HydrophobicContact CG2-CG 4.13Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 3.43Å; G367-L370 PolarHBondContact O-N 3.21Å; L370-T372 PolarHBondContact O-N 3.36Å; L370-I373 PolarHBondContact O-N 2.92Å; L370-I373 VanDerWaalsContact O-N 3.1Å; L370-M374 VanDerWaalsContact O-CB 3.29Å; L370-M374 WeakPolarHBondContact O-CB 3.49Å; L370-M374 WeakPolarHBondContact O-CG 3.34Å; L370-M374 PolarHBondContact O-N 2.8Å
371L78.5Confident79.9Confident114 Ų11465.7 Ų65.760%0.59739%0.386SS*.Hα-helixtrans-56.5-41.5177.9-177.866.6000111.7G367 I373 M374 G375G367-L371 WeakPolarHBondContact O-CB 3.17Å; G367-L371 PolarHBondContact O-N 3.16Å; L371-I373 VanDerWaalsContact C-N 3.33Å; L371-I373 PolarHBondContact O-N 3.34Å; L371-M374 PolarHBondContact O-N 2.97Å; L371-G375 PolarHBondContact O-N 3.35Å
372T73.7Confident79.6Confident44 Ų4468.6 Ų68.627%0.2740%0.397SS..Hα-helixtrans-62.1-39.9178.3-590000112L235 N368 V369 L370 P376L235-T372 WeakPolarHBondContact O-CG2 3.45Å; N368-T372 WeakPolarHBondContact O-CB 3.28Å; N368-T372 PolarHBondContact O-N 3.13Å; N368-T372 PolarHBondContact O-OG1 2.78Å; V369-T372 PolarHBondContact O-N 3.49Å; L370-T372 PolarHBondContact O-N 3.36Å; T372-P376 WeakPolarHBondContact O-CD 3.11Å
373I76.4Confident78.4Confident61 Ų6170.9 Ų70.931%0.31343%0.432SS..Hα-helixtrans-80.3-37.1179.7-62.6167.5000111.4V369 L370 L371 G375 P376 L377V369-I373 HydrophobicContact CG1-CD1 4.07Å; V369-I373 WeakPolarHBondContact O-CG1 3.44Å; V369-I373 PolarHBondContact O-N 3.07Å; L370-I373 PolarHBondContact O-N 2.92Å; L370-I373 VanDerWaalsContact O-N 3.1Å; L371-I373 VanDerWaalsContact C-N 3.33Å; L371-I373 PolarHBondContact O-N 3.34Å; I373-G375 VanDerWaalsContact C-N 3.3Å; I373-G375 PolarHBondContact O-N 3.23Å; I373-P376 WeakPolarHBondContact O-CD 3.45Å; I373-L377 VanDerWaalsContact O-CB 3.24Å; I373-L377 WeakPolarHBondContact O-CB 3.43Å; I373-L377 PolarHBondContact O-N 3.07Å
374M78Confident77.8Confident91 Ų9173.5 Ų73.545%0.44845%0.447SS..Hα-helixtrans-63.8-33.7-176.3-76-61.2-64.800112.3L370 L371 L377 V378L370-M374 VanDerWaalsContact O-CB 3.29Å; L370-M374 WeakPolarHBondContact O-CB 3.49Å; L370-M374 WeakPolarHBondContact O-CG 3.34Å; L370-M374 PolarHBondContact O-N 2.8Å; L371-M374 PolarHBondContact O-N 2.97Å; M374-L377 PolarHBondContact O-N 3.47Å; M374-L377 HydrophobicContact SD-CD2 3.98Å; M374-V378 HydrophobicContact CE-CG2 4.09Å; M374-V378 WeakPolarHBondContact O-CB 3.29Å; M374-V378 WeakPolarHBondContact O-CG2 3.13Å; M374-V378 PolarHBondContact O-N 2.95Å
375G75.3Confident77.3Confident40 Ų4072.8 Ų72.841%0.41245%0.452SS..Hα-helixtrans-56-64.6177.100000112.5L371 I373 L377 V378 V379L371-G375 PolarHBondContact O-N 3.35Å; I373-G375 VanDerWaalsContact C-N 3.3Å; I373-G375 PolarHBondContact O-N 3.23Å; G375-L377 VanDerWaalsContact C-N 3.31Å; G375-L377 PolarHBondContact O-N 2.86Å; G375-V378 PolarHBondContact O-N 3.03Å; G375-V379 WeakPolarHBondContact O-CG2 3.39Å; G375-V379 PolarHBondContact O-N 3.33Å
376P71.2Confident77Confident45 Ų4574.2 Ų74.229%0.29246%0.455SS..Hα-helixtrans-59-38.7175.2-24.834000113.4T234 T372 I373 V378 V379 A380T234-P376 HydrophobicContact CG2-CG 4.2Å; T372-P376 WeakPolarHBondContact O-CD 3.11Å; I373-P376 WeakPolarHBondContact O-CD 3.45Å; P376-V378 PolarHBondContact O-N 3.16Å; P376-V379 PolarHBondContact O-N 3.18Å; P376-A380 WeakPolarHBondContact O-CB 3.46Å; P376-A380 PolarHBondContact O-N 3.31Å
377L79Confident76.6Confident46 Ų4672.5 Ų72.524%0.24145%0.451CS..Hα-helixtrans-62.4-44.3-179.7-176.966.2000111.9I231 L233 I373 M374 G375 A380 L381I231-L377 HydrophobicContact CD1-CD1 4.49Å; I231-L377 HydrophobicContact CG2-CD1 4.47Å; L233-L377 HydrophobicContact CD2-CD1 4.41Å; I373-L377 VanDerWaalsContact O-CB 3.24Å; I373-L377 WeakPolarHBondContact O-CB 3.43Å; I373-L377 PolarHBondContact O-N 3.07Å; M374-L377 PolarHBondContact O-N 3.47Å; M374-L377 HydrophobicContact SD-CD2 3.98Å; G375-L377 VanDerWaalsContact C-N 3.31Å; G375-L377 PolarHBondContact O-N 2.86Å; L377-A380 PolarHBondContact O-N 2.82Å; L377-L381 HydrophobicContact CD1-CD1 4.33Å; L377-L381 HydrophobicContact CD1-CG 4.46Å; L377-L381 HydrophobicContact CG-CD1 4.05Å; L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 2.91Å; L377-L381 PolarHBondContact O-N 3.15Å
378V79.8Confident76.1Confident64 Ų6476.1 Ų76.139%0.38847%0.469SS..Hα-helixtrans-65.2-42177.3169.40000110.8M374 G375 P376 A380 L381 L382M374-V378 HydrophobicContact CE-CG2 4.09Å; M374-V378 WeakPolarHBondContact O-CB 3.29Å; M374-V378 WeakPolarHBondContact O-CG2 3.13Å; M374-V378 PolarHBondContact O-N 2.95Å; G375-V378 PolarHBondContact O-N 3.03Å; P376-V378 PolarHBondContact O-N 3.16Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 2.89Å; V378-L381 PolarHBondContact O-N 3.26Å; V378-L382 HydrophobicContact CG1-CD1 3.68Å; V378-L382 HydrophobicContact CG1-CG 4.32Å; V378-L382 WeakPolarHBondContact O-CB 3.43Å; V378-L382 VanDerWaalsContact O-CG 3.31Å; V378-L382 WeakPolarHBondContact O-CG 3.41Å; V378-L382 PolarHBondContact O-N 2.96Å
379V75.6Confident75.9Confident104 Ų10478.8 Ų78.863%0.6349%0.488SS*.Hα-helixtrans-60.7-43.1175.2173.70000111G375 P376 L381 L382 G383G375-V379 WeakPolarHBondContact O-CG2 3.39Å; G375-V379 PolarHBondContact O-N 3.33Å; P376-V379 PolarHBondContact O-N 3.18Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.34Å; V379-L382 PolarHBondContact O-N 3.16Å; V379-G383 PolarHBondContact O-N 2.9Å
380A74Confident75.8Confident33 Ų3380.1 Ų80.127%0.27350%0.497SS..Hα-helixtrans-73.2-20.1179.600000114.5I231 P376 L377 V378I231-A380 HydrophobicContact CG2-CB 3.71Å; P376-A380 WeakPolarHBondContact O-CB 3.46Å; P376-A380 PolarHBondContact O-N 3.31Å; L377-A380 PolarHBondContact O-N 2.82Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 2.89Å
381L79.1Confident75.4Confident119 Ų11978.8 Ų78.862%0.62350%0.496SS*.Hα-helixtrans-87-24.3173.7-72.1171.8000112.5L377 V378 V379L377-L381 HydrophobicContact CD1-CD1 4.33Å; L377-L381 HydrophobicContact CD1-CG 4.46Å; L377-L381 HydrophobicContact CG-CD1 4.05Å; L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 VanDerWaalsContact O-CG 3.25Å; L377-L381 WeakPolarHBondContact O-CG 2.91Å; L377-L381 PolarHBondContact O-N 3.15Å; V378-L381 PolarHBondContact O-N 3.26Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.34Å
382L77.4Confident75.1Confident148 Ų14875.8 Ų75.878%0.77549%0.488SS*.Hα-helixtrans-96.7-25.8-179.6-68.8177000113.7V378 V379V378-L382 HydrophobicContact CG1-CD1 3.68Å; V378-L382 HydrophobicContact CG1-CG 4.32Å; V378-L382 WeakPolarHBondContact O-CB 3.43Å; V378-L382 VanDerWaalsContact O-CG 3.31Å; V378-L382 WeakPolarHBondContact O-CG 3.41Å; V378-L382 PolarHBondContact O-N 2.96Å; V379-L382 PolarHBondContact O-N 3.16Å
383G61.7Low75.2Confident115 Ų11578.7 Ų78.7100%1.18651%0.507SS*.  trans-91.60171.700000110.9V379V379-G383 PolarHBondContact O-N 2.9Å

Retrieved 383 of 383 residues in 240.7 ms (Link to these results)

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