A0A077Z942_TRITR Loading...

Hydrolase 3 domain containing protein

AlphaFold DB (P0A8Y5), UniProt , Accession A0A077Z942, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 270 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
1M80.3Confident96.4Very high138 Ų13835.9 Ų35.968%0.6820%0.199SC*.  0165.90-61.7-151.8-5000108.2K211 E213 E214M1-K211 HydrophobicContact CE-CD 4.15Å; M1-E213 HydrophobicContact CE-CG 3.57Å; M1-E213 WeakPolarHBondContact CE-OE1 3.31Å; M1-E214 HydrophobicContact CB-CG 4.28Å; M1-E214 HydrophobicContact CE-CG 3.41Å; M1-E214 VanDerWaalsContact CE-CG 3.41Å; M1-E214 WeakPolarHBondContact CE-OE1 3.35Å
2A94.6Very high96.3Very high80 Ų8034.6 Ų34.666%0.66120%0.2SC*.  trans-68.5137.917700000110.3K4A2-K4 PolarHBondContact O-N 3.28Å
3I98.4Very high96.5Very high15 Ų1532.1 Ų32.18%0.07719%0.185CC..  trans-65.4130.8173.8-61.7-60.1000109.3L5 I6 V37 E214 M216 V233 V268I3-L5 WeakPolarHBondContact CG2-O 3.47Å; I3-I6 HydrophobicContact CG2-CG1 3.91Å; I3-V37 HydrophobicContact CG2-CG1 4.24Å; I3-V37 WeakPolarHBondContact O-CG2 3.39Å; I3-E214 CarbonylContact C-O 3.53Å; I3-E214 WeakPolarHBondContact CA-O 3.23Å; I3-M216 HydrophobicContact CD1-CB 4.18Å; I3-M216 HydrophobicContact CG1-CB 4.48Å; I3-M216 HydrophobicContact CG2-CB 4.09Å; I3-V233 HydrophobicContact CD1-CB 4.46Å; I3-V233 HydrophobicContact CD1-CG2 3.95Å; I3-V268 HydrophobicContact CB-CG2 4.14Å; I3-V268 HydrophobicContact CG1-CG2 4.43Å; I3-V268 HydrophobicContact CG2-CG2 4.28Å
4K98.4Very high96.7Very high94 Ų9430.1 Ų30.141%0.40917%0.174SC..  trans-114.7-18177.8-69.2-177.2179.6161.80113.3A2 N38 I210 E214A2-K4 PolarHBondContact O-N 3.28Å; K4-N38 WeakPolarHBondContact O-CB 3.41Å; K4-N38 PolarHBondContact O-N 2.89Å; K4-N38 PolarHBondContact O-ND2 3.34Å; K4-I210 HydrophobicContact CB-CD1 4.07Å; K4-I210 HydrophobicContact CB-CG1 4.33Å; K4-I210 HydrophobicContact CB-CG2 4.18Å; K4-E214 HydrophobicContact CB-CB 4.25Å; K4-E214 HydrophobicContact CD-CB 4.45Å; K4-E214 WeakPolarHBondContact CD-OE1 3.41Å; K4-E214 WeakPolarHBondContact CE-OE1 3.5Å; K4-E214 HydrophobicContact CG-CB 4.33Å; K4-E214 PolarHBondContact N-O 3.05Å; K4-E214 IonicContact NZ-OE1 3.74Å; K4-E214 PolarHBondContact NZ-OE1 3.46Å; K4-E214 IonicContact NZ-OE2 2.75Å
5L98.7Very high96.8Very high1 Ų128.3 Ų28.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-138.6136176.1-172.5150.3000110.9I3 A7 N38 V40 V201 L204 L208 I210 E214 I215 M216I3-L5 WeakPolarHBondContact CG2-O 3.47Å; L5-A7 HydrophobicContact CD2-CB 4.17Å; L5-N38 CarbonylContact C-O 3.55Å; L5-N38 WeakPolarHBondContact CA-O 3.39Å; L5-N38 HydrophobicContact CB-CB 4.45Å; L5-N38 HydrophobicContact CG-CB 4.37Å; L5-V40 HydrophobicContact CD1-CG2 4.11Å; L5-V40 HydrophobicContact CD2-CG2 4.4Å; L5-V40 HydrophobicContact CG-CG2 4.08Å; L5-V201 HydrophobicContact CD2-CG1 4.22Å; L5-L204 HydrophobicContact CD1-CD2 4.21Å; L5-L204 HydrophobicContact CD1-CG 4.33Å; L5-L208 HydrophobicContact CD1-CD1 4.21Å; L5-I210 HydrophobicContact CB-CD1 3.94Å; L5-I210 HydrophobicContact CB-CG2 4.36Å; L5-I210 HydrophobicContact CD1-CD1 4.18Å; L5-E214 PolarHBondContact N-O 3.31Å; L5-I215 HydrophobicContact CB-CG1 4.31Å; L5-I215 HydrophobicContact CD2-CG2 3.84Å; L5-I215 WeakPolarHBondContact O-CA 3.3Å; L5-M216 PolarHBondContact O-N 2.96Å
6I98.8Very high96.9Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-121.1110.7173.1-46.2177.1000108.3I3 I8 A32 V37 N38 V39 V40 M216 I218 I264 V268I3-I6 HydrophobicContact CG2-CG1 3.91Å; I6-I8 HydrophobicContact CB-CG1 4.48Å; I6-I8 HydrophobicContact CG2-CD1 3.92Å; I6-I8 HydrophobicContact CG2-CG1 3.63Å; I6-A32 HydrophobicContact CD1-CB 4.01Å; I6-V37 HydrophobicContact CD1-CG1 3.88Å; I6-V37 HydrophobicContact CG1-CG1 3.65Å; I6-N38 PolarHBondContact N-O 3.01Å; I6-V39 HydrophobicContact CB-CG2 4.42Å; I6-V39 HydrophobicContact CD1-CG2 4.17Å; I6-V40 PolarHBondContact O-N 3.21Å; I6-M216 CarbonylContact C-O 3.54Å; I6-M216 VanDerWaalsContact CA-O 3.29Å; I6-M216 WeakPolarHBondContact CA-O 3.46Å; I6-M216 HydrophobicContact CB-CE 4.37Å; I6-M216 HydrophobicContact CD1-CE 3.77Å; I6-M216 HydrophobicContact CG1-CE 3.93Å; I6-M216 HydrophobicContact CG2-CB 4.39Å; I6-M216 HydrophobicContact CG2-CE 3.54Å; I6-M216 HydrophobicContact CG2-CG 4.48Å; I6-I218 HydrophobicContact CG2-CD1 4.26Å; I6-I264 HydrophobicContact CD1-CD1 4.47Å; I6-I264 HydrophobicContact CD1-CG1 4.06Å; I6-V268 HydrophobicContact CD1-CG2 3.92Å
7A98.9Very high96.8Very high0 Ų033.2 Ų33.20%019%0.194CC..EExtended strand (participates in β ladder)trans-89.8124170.900000109.1L5 V40 V201 M216 A217 I218 M227L5-A7 HydrophobicContact CD2-CB 4.17Å; A7-V40 WeakPolarHBondContact CA-O 3.37Å; A7-V201 HydrophobicContact CB-CG1 4.28Å; A7-V201 HydrophobicContact CB-CG2 3.64Å; A7-M216 PolarHBondContact N-O 2.83Å; A7-A217 HydrophobicContact CB-CB 4.27Å; A7-A217 CarbonylContact O-C 2.87Å; A7-A217 VanDerWaalsContact O-CA 3.31Å; A7-A217 WeakPolarHBondContact O-CA 3.33Å; A7-I218 PolarHBondContact O-N 3.23Å; A7-M227 HydrophobicContact CB-SD 4.48Å
8I98.9Very high96.7Very high0 Ų037.1 Ų37.10%021%0.214CC..EExtended strand (participates in β ladder)trans-127.2122-174.8-45.9178.4000108.8I6 T13 L14 I29 V39 V40 T42 I218 V260 I264I6-I8 HydrophobicContact CB-CG1 4.48Å; I6-I8 HydrophobicContact CG2-CD1 3.92Å; I6-I8 HydrophobicContact CG2-CG1 3.63Å; I8-T13 HydrophobicContact CG2-CG2 3.96Å; I8-L14 HydrophobicContact CG2-CB 4.16Å; I8-L14 HydrophobicContact CG2-CD1 4.24Å; I8-I29 HydrophobicContact CD1-CD1 4.22Å; I8-I29 HydrophobicContact CD1-CG1 4.32Å; I8-V39 HydrophobicContact CD1-CG1 3.6Å; I8-V39 HydrophobicContact CG1-CG1 4.34Å; I8-V40 PolarHBondContact N-O 3.46Å; I8-T42 PolarHBondContact O-N 3.23Å; I8-I218 HydrophobicContact CG1-CD1 4.4Å; I8-I218 HydrophobicContact CG2-CB 4.47Å; I8-V260 HydrophobicContact CD1-CG1 3.99Å; I8-V260 HydrophobicContact CG2-CG1 4.14Å; I8-V260 HydrophobicContact CG2-CG2 3.96Å; I8-I264 HydrophobicContact CD1-CD1 4.38Å
9D98.7Very high96.6Very high6 Ų639 Ų393%0.03222%0.221CC..  trans-65.6156.6167.1178.160000112D11 T13 L14 T42 K197 I218 M227D9-D11 PolarHBondContact OD2-N 2.99Å; D9-D11 VanDerWaalsContact OD2-O 3.13Å; D9-T13 HydrophobicContact CB-CG2 4.2Å; D9-T13 WeakPolarHBondContact O-CB 3.31Å; D9-T13 WeakPolarHBondContact O-CG2 3.46Å; D9-L14 WeakPolarHBondContact O-CB 3.39Å; D9-L14 PolarHBondContact O-N 3.41Å; D9-L14 VanDerWaalsContact O-N 3.14Å; D9-T42 WeakPolarHBondContact CA-O 3.43Å; D9-K197 VanDerWaalsContact CG-NZ 3.32Å; D9-K197 IonicContact OD1-NZ 3.76Å; D9-K197 PolarHBondContact OD1-NZ 2.9Å; D9-I218 PolarHBondContact N-O 2.86Å; D9-M227 HydrophobicContact CB-CE 4.08Å
10M98.4Very high96.7Very high0 Ų040 Ų400%023%0.228CC..THydrogen-bonded Turntrans-91.3-66.9-179.7-68.2-179.363.300113.7G12 T13 L14 L15 L41 T43 V50 Y53M10-G12 PolarHBondContact O-N 3.38Å; M10-T13 PolarHBondContact O-N 2.88Å; M10-L14 HydrophobicContact CG-CD2 4.43Å; M10-L14 PolarHBondContact O-N 3.06Å; M10-L15 HydrophobicContact CB-CD1 4.24Å; M10-L15 HydrophobicContact CB-CG 4.38Å; M10-L15 HydrophobicContact CE-CD1 4.12Å; M10-L15 WeakPolarHBondContact O-CB 3.16Å; M10-L15 WeakPolarHBondContact O-CG 3.37Å; M10-L15 PolarHBondContact O-N 3.25Å; M10-L41 HydrophobicContact SD-CD1 4.32Å; M10-T43 HydrophobicContact CG-CG2 4.43Å; M10-T43 HydrophobicContact SD-CG2 3.65Å; M10-V50 HydrophobicContact CE-CG2 4.47Å; M10-V50 HydrophobicContact SD-CB 4.43Å; M10-V50 HydrophobicContact SD-CG1 4.05Å; M10-V50 HydrophobicContact SD-CG2 3.84Å; M10-Y53 HydrophobicContact CE-CD2 3.24Å; M10-Y53 HydrophobicContact CE-CE2 3.52Å; M10-Y53 HydrophobicContact CE-CG 3.86Å
11D95.9Very high96.8Very high61 Ų6138.2 Ų38.233%0.32622%0.218SC..BIsolated β-bridgetrans-83.7115.7-166.4-69.3-70.3000111.2D9 T13 R45D9-D11 PolarHBondContact OD2-N 2.99Å; D9-D11 VanDerWaalsContact OD2-O 3.13Å; D11-T13 VanDerWaalsContact C-N 3.25Å; D11-R45 IonicContact OD1-CZ 2.67Å; D11-R45 IonicContact OD1-NE 3.79Å; D11-R45 PolarHBondContact OD1-NE 2.94Å; D11-R45 IonicContact OD1-NH2 2.8Å; D11-R45 PolarHBondContact OD1-NH2 3.32Å; D11-R45 IonicContact OD2-CZ 3.16Å; D11-R45 IonicContact OD2-NE 3.54Å; D11-R45 PolarHBondContact OD2-NE 3.3Å; D11-R45 IonicContact OD2-NH2 3.94Å; D11-R45 PolarHBondContact OD2-NH2 3.4Å
12G96.2Very high97.6Very high20 Ų2032.1 Ų32.121%0.20619%0.189CC..THydrogen-bonded Turntrans88.2-8.3-173.600000113.4M10 N239 N255M10-G12 PolarHBondContact O-N 3.38Å; G12-N239 PolarHBondContact O-ND2 2.98Å; G12-N255 WeakPolarHBondContact O-CB 3.26Å
13T98.7Very high97.8Very high2 Ų232.9 Ų32.91%0.01219%0.187CC..THydrogen-bonded Turntrans-118.7-74.3179.4-66.70000112.8I8 D9 M10 D11 I218 G219 D220 M237 V260I8-T13 HydrophobicContact CG2-CG2 3.96Å; D9-T13 HydrophobicContact CB-CG2 4.2Å; D9-T13 WeakPolarHBondContact O-CB 3.31Å; D9-T13 WeakPolarHBondContact O-CG2 3.46Å; M10-T13 PolarHBondContact O-N 2.88Å; D11-T13 VanDerWaalsContact C-N 3.25Å; T13-I218 HydrophobicContact CG2-CB 4.18Å; T13-I218 HydrophobicContact CG2-CG2 3.75Å; T13-G219 WeakPolarHBondContact OG1-CA 3.4Å; T13-D220 PolarHBondContact OG1-N 3.03Å; T13-D220 PolarHBondContact OG1-OD1 2.6Å; T13-M237 HydrophobicContact CG2-CG 3.96Å; T13-M237 HydrophobicContact CG2-SD 3.99Å; T13-V260 HydrophobicContact CG2-CG2 3.87Å; T13-V260 WeakPolarHBondContact O-CG2 3.37Å
14L98.8Very high97.8Very high5 Ų534 Ų343%0.02620%0.198CC..THydrogen-bonded Turntrans-74.7-39178.9-178.775.8000112.7I8 D9 M10 I21 V25 I29 L41 L57 V260I8-L14 HydrophobicContact CG2-CB 4.16Å; I8-L14 HydrophobicContact CG2-CD1 4.24Å; D9-L14 WeakPolarHBondContact O-CB 3.39Å; D9-L14 PolarHBondContact O-N 3.41Å; D9-L14 VanDerWaalsContact O-N 3.14Å; M10-L14 HydrophobicContact CG-CD2 4.43Å; M10-L14 PolarHBondContact O-N 3.06Å; L14-I21 HydrophobicContact CD1-CG2 4.4Å; L14-I21 HydrophobicContact CD2-CD1 3.92Å; L14-I21 HydrophobicContact CD2-CG1 4.25Å; L14-I21 HydrophobicContact CG-CD1 4.36Å; L14-I21 HydrophobicContact CG-CG1 4.26Å; L14-V25 HydrophobicContact CD1-CG1 3.47Å; L14-V25 VanDerWaalsContact CD1-CG1 3.47Å; L14-I29 HydrophobicContact CD1-CD1 3.62Å; L14-L41 HydrophobicContact CD2-CD1 4.5Å; L14-L41 HydrophobicContact CD2-CD2 3.79Å; L14-L57 HydrophobicContact CD2-CD1 4.37Å; L14-V260 HydrophobicContact CD1-CG1 4.42Å
15L98.4Very high97.9Very high3 Ų329.7 Ų29.72%0.01618%0.179CC..BIsolated β-bridgetrans-92.1143.1-169.8-58.9-177.7000111.9M10 I21 Y53 N255M10-L15 HydrophobicContact CB-CD1 4.24Å; M10-L15 HydrophobicContact CB-CG 4.38Å; M10-L15 HydrophobicContact CE-CD1 4.12Å; M10-L15 WeakPolarHBondContact O-CB 3.16Å; M10-L15 WeakPolarHBondContact O-CG 3.37Å; M10-L15 PolarHBondContact O-N 3.25Å; L15-I21 HydrophobicContact CD2-CD1 4.42Å; L15-I21 HydrophobicContact CD2-CG1 3.6Å; L15-Y53 HydrophobicContact CD1-CE1 4.37Å; L15-Y53 HydrophobicContact CD1-CE2 4.37Å; L15-Y53 HydrophobicContact CD2-CD1 4.01Å; L15-Y53 HydrophobicContact CD2-CE1 3.52Å; L15-N255 PolarHBondContact O-ND2 2.94Å
16L98.1Very high97.9Very high41 Ų4132.8 Ų32.822%0.21519%0.193CC..  trans-72.5163.7163.3-67.4176.1000110.5D18 H19 T20 N255 L256L16-D18 WeakPolarHBondContact CB-OD1 3.37Å; L16-D18 PolarHBondContact O-N 3.03Å; L16-D18 VanDerWaalsContact O-N 3.07Å; L16-H19 WeakPolarHBondContact O-CA 3.25Å; L16-H19 PolarHBondContact O-N 3.16Å; L16-T20 PolarHBondContact N-O 3.46Å; L16-N255 WeakPolarHBondContact CD2-O 3.46Å; L16-L256 HydrophobicContact CD2-CD2 4.28Å
17P94.9Very high97.9Very high98 Ų9838.1 Ų38.164%0.63622%0.222SC*.THydrogen-bonded Turntrans-59-20.3179.6-26.434.8000115.2H19 L256P17-H19 VanDerWaalsContact C-N 3.25Å; P17-L256 VanDerWaalsContact CD-CD2 3.44Å; P17-L256 HydrophobicContact CG-CD2 3.63Å
18D95.8Very high97.8Very high104 Ų10438.3 Ų38.356%0.55622%0.223SC*.THydrogen-bonded Turntrans-87.710.3174.570.4-9.1000113.3L16 T20L16-D18 WeakPolarHBondContact CB-OD1 3.37Å; L16-D18 PolarHBondContact O-N 3.03Å; L16-D18 VanDerWaalsContact O-N 3.07Å; D18-T20 VanDerWaalsContact C-N 3.27Å; D18-T20 PolarHBondContact O-N 2.51Å; D18-T20 WeakPolarHBondContact OD1-CB 3.49Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.45Å; D18-T20 PolarHBondContact OD1-N 3.32Å; D18-T20 VanDerWaalsContact OD1-N 3.09Å; D18-T20 PolarHBondContact OD1-OG1 3.43Å; D18-T20 PolarHBondContact OD2-OG1 3.06Å
19H94.9Very high97.8Very high73 Ų7338.4 Ų38.434%0.33822%0.223SC..SBendtrans65.819.7-178.6-47.7-67.9000115.1L16 P17 Y53L16-H19 WeakPolarHBondContact O-CA 3.25Å; L16-H19 PolarHBondContact O-N 3.16Å; P17-H19 VanDerWaalsContact C-N 3.25Å; H19-Y53 WeakPolarHBondContact O-CE1 3.29Å; H19-Y53 PolarHBondContact O-OH 3.01Å
20T98Very high97.8Very high58 Ų5840.7 Ų40.736%0.35624%0.243SC..PPolyproline II helixtrans-95.7160.1174.7690000112.6L16 D18L16-T20 PolarHBondContact N-O 3.46Å; D18-T20 VanDerWaalsContact C-N 3.27Å; D18-T20 PolarHBondContact O-N 2.51Å; D18-T20 WeakPolarHBondContact OD1-CB 3.49Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.45Å; D18-T20 PolarHBondContact OD1-N 3.32Å; D18-T20 VanDerWaalsContact OD1-N 3.09Å; D18-T20 PolarHBondContact OD1-OG1 3.43Å; D18-T20 PolarHBondContact OD2-OG1 3.06Å
21I98.7Very high97.8Very high4 Ų442 Ų422%0.02125%0.254CS..PPolyproline II helixtrans-102.3126.3169.5-52.8172.4000108.3L14 L15 V25 K26 Y53 L57L14-I21 HydrophobicContact CD1-CG2 4.4Å; L14-I21 HydrophobicContact CD2-CD1 3.92Å; L14-I21 HydrophobicContact CD2-CG1 4.25Å; L14-I21 HydrophobicContact CG-CD1 4.36Å; L14-I21 HydrophobicContact CG-CG1 4.26Å; L15-I21 HydrophobicContact CD2-CD1 4.42Å; L15-I21 HydrophobicContact CD2-CG1 3.6Å; I21-V25 HydrophobicContact CG2-CB 3.92Å; I21-V25 HydrophobicContact CG2-CG1 3.62Å; I21-K26 HydrophobicContact CB-CG 4.25Å; I21-K26 HydrophobicContact CG2-CG 3.74Å; I21-K26 WeakPolarHBondContact O-CE 3.45Å; I21-K26 PolarHBondContact O-NZ 3.04Å; I21-Y53 HydrophobicContact CD1-CD1 3.73Å; I21-Y53 HydrophobicContact CG1-CD1 4.06Å; I21-Y53 HydrophobicContact CG1-CE1 4.37Å; I21-L57 HydrophobicContact CD1-CD1 3.95Å; I21-L57 HydrophobicContact CD1-CD2 3.96Å; I21-L57 HydrophobicContact CD1-CG 3.89Å
22S98.6Very high98Very high10 Ų1039.1 Ų39.17%0.0724%0.239CC..PPolyproline II helixtrans-65.6154.6-179.683.70000112.4A24 V25 K26 D258S22-A24 VanDerWaalsContact C-N 3.28Å; S22-A24 PolarHBondContact O-N 2.87Å; S22-V25 PolarHBondContact O-N 3.48Å; S22-V25 WeakPolarHBondContact OG-CG2 3.42Å; S22-V25 PolarHBondContact OG-N 2.88Å; S22-K26 WeakPolarHBondContact O-CG 3.38Å; S22-K26 PolarHBondContact O-N 3.48Å; S22-D258 WeakPolarHBondContact CB-OD1 3.44Å; S22-D258 PolarHBondContact OG-OD1 2.54Å
23P98.5Very high98.1Very high96 Ų9640.5 Ų40.562%0.62324%0.238SC*.Hα-helixtrans-58.1-37.2175-2635.4000113.8K26 N27P23-K26 PolarHBondContact O-N 3.1Å; P23-N27 WeakPolarHBondContact O-CB 3.33Å; P23-N27 PolarHBondContact O-N 3.34Å; P23-N27 PolarHBondContact O-ND2 3.39Å
24A98.6Very high98Very high37 Ų3744.8 Ų44.831%0.30627%0.273SS..Hα-helixtrans-64.3-45.317900000111.4S22 N27 A28 D258 A261S22-A24 VanDerWaalsContact C-N 3.28Å; S22-A24 PolarHBondContact O-N 2.87Å; A24-N27 PolarHBondContact O-N 3.04Å; A24-A28 WeakPolarHBondContact O-CB 3.17Å; A24-A28 PolarHBondContact O-N 3.47Å; A24-D258 HydrophobicContact CB-CB 4.17Å; A24-D258 WeakPolarHBondContact CB-OD2 3.46Å; A24-A261 HydrophobicContact CB-CB 4.34Å
25V98.7Very high97.9Very high4 Ų451.2 Ų51.22%0.02430%0.297CS..Hα-helixtrans-63.2-44.7176.7172.90000111.4L14 I21 S22 N27 A28 I29 D258 V260 A261L14-V25 HydrophobicContact CD1-CG1 3.47Å; L14-V25 VanDerWaalsContact CD1-CG1 3.47Å; I21-V25 HydrophobicContact CG2-CB 3.92Å; I21-V25 HydrophobicContact CG2-CG1 3.62Å; S22-V25 PolarHBondContact O-N 3.48Å; S22-V25 WeakPolarHBondContact OG-CG2 3.42Å; S22-V25 PolarHBondContact OG-N 2.88Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.34Å; V25-A28 PolarHBondContact O-N 3.38Å; V25-I29 HydrophobicContact CG1-CD1 3.91Å; V25-I29 WeakPolarHBondContact O-CG1 3.34Å; V25-I29 PolarHBondContact O-N 3.36Å; V25-D258 HydrophobicContact CG2-CB 4.23Å; V25-V260 HydrophobicContact CG1-CB 4.28Å; V25-V260 HydrophobicContact CG1-CG1 4.01Å; V25-V260 HydrophobicContact CG2-CB 4.23Å; V25-A261 HydrophobicContact CG2-CB 4.16Å
26K98.7Very high97.8Very high66 Ų6654 Ų5429%0.28733%0.326SS..Hα-helixtrans-56.7-46.4174.6-71.3174.9-177169.50112I21 S22 P23 I29 A30 E56 L57I21-K26 HydrophobicContact CB-CG 4.25Å; I21-K26 HydrophobicContact CG2-CG 3.74Å; I21-K26 WeakPolarHBondContact O-CE 3.45Å; I21-K26 PolarHBondContact O-NZ 3.04Å; S22-K26 WeakPolarHBondContact O-CG 3.38Å; S22-K26 PolarHBondContact O-N 3.48Å; P23-K26 PolarHBondContact O-N 3.1Å; K26-I29 PolarHBondContact O-N 2.94Å; K26-A30 WeakPolarHBondContact O-CB 3.4Å; K26-A30 PolarHBondContact O-N 3.23Å; K26-E56 WeakPolarHBondContact CE-OE1 3.45Å; K26-E56 IonicContact NZ-OE1 2.6Å; K26-E56 PolarHBondContact NZ-OE1 3.39Å; K26-L57 HydrophobicContact CG-CD2 4.17Å
27N98.6Very high97.8Very high113 Ų11352.5 Ų52.560%0.60432%0.319SS*.Hα-helixtrans-65.7-41.7-179.4-70.6-20.4000112P23 A24 V25 A30 A31P23-N27 WeakPolarHBondContact O-CB 3.33Å; P23-N27 PolarHBondContact O-N 3.34Å; P23-N27 PolarHBondContact O-ND2 3.39Å; A24-N27 PolarHBondContact O-N 3.04Å; V25-N27 VanDerWaalsContact C-N 3.33Å; V25-N27 PolarHBondContact O-N 3.34Å; N27-A30 PolarHBondContact O-N 3.28Å; N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 2.97Å; N27-A31 PolarHBondContact O-N 2.92Å
28A98.7Very high98Very high4 Ų449.9 Ų49.93%0.03330%0.299CS..Hα-helixtrans-63.6-44.8177.200000111.7A24 V25 A31 A32 A261 I264A24-A28 WeakPolarHBondContact O-CB 3.17Å; A24-A28 PolarHBondContact O-N 3.47Å; V25-A28 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 2.66Å; A28-A32 PolarHBondContact O-N 3.09Å; A28-A261 HydrophobicContact CB-CB 3.8Å; A28-I264 HydrophobicContact CB-CB 4.15Å; A28-I264 HydrophobicContact CB-CD1 4.15Å; A28-I264 HydrophobicContact CB-CG2 4.1Å
29I98.7Very high98.1Very high1 Ų145 Ų451%0.00527%0.274CS..Hα-helixtrans-60.7-46.8174.8-71.3172.5000110.7I8 L14 V25 K26 A31 A32 R33 V39 L57 M59 I264I8-I29 HydrophobicContact CD1-CD1 4.22Å; I8-I29 HydrophobicContact CD1-CG1 4.32Å; L14-I29 HydrophobicContact CD1-CD1 3.62Å; V25-I29 HydrophobicContact CG1-CD1 3.91Å; V25-I29 WeakPolarHBondContact O-CG1 3.34Å; V25-I29 PolarHBondContact O-N 3.36Å; K26-I29 PolarHBondContact O-N 2.94Å; I29-A31 VanDerWaalsContact C-N 3.32Å; I29-A31 PolarHBondContact O-N 3.2Å; I29-A32 PolarHBondContact O-N 3.04Å; I29-R33 HydrophobicContact CG2-CG 4.38Å; I29-R33 WeakPolarHBondContact O-CB 3.46Å; I29-R33 VanDerWaalsContact O-CG 3.28Å; I29-R33 WeakPolarHBondContact O-CG 3.49Å; I29-R33 PolarHBondContact O-N 2.98Å; I29-V39 HydrophobicContact CG1-CG1 4.37Å; I29-V39 HydrophobicContact CG2-CB 4.36Å; I29-V39 HydrophobicContact CG2-CG1 4.08Å; I29-V39 HydrophobicContact CG2-CG2 4.36Å; I29-L57 HydrophobicContact CD1-CD1 4.07Å; I29-L57 HydrophobicContact CD1-CD2 3.94Å; I29-L57 HydrophobicContact CG2-CD2 4.27Å; I29-M59 HydrophobicContact CG2-CE 4.06Å; I29-I264 HydrophobicContact CG1-CD1 3.88Å
30A98.5Very high98.3Very high54 Ų5441.7 Ų41.745%0.44626%0.258SS..Hα-helixtrans-59.8-42176.900000111.9K26 N27 R33 A34K26-A30 WeakPolarHBondContact O-CB 3.4Å; K26-A30 PolarHBondContact O-N 3.23Å; N27-A30 PolarHBondContact O-N 3.28Å; A30-R33 PolarHBondContact O-N 3.46Å; A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.38Å
31A98.5Very high98.4Very high28 Ų2838.9 Ų38.923%0.23124%0.241CC..Hα-helixtrans-68.4-33.817900000113.4N27 A28 I29 R35 L269N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 2.97Å; N27-A31 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 2.66Å; I29-A31 VanDerWaalsContact C-N 3.32Å; I29-A31 PolarHBondContact O-N 3.2Å; A31-R35 WeakPolarHBondContact O-CG 3.36Å; A31-R35 PolarHBondContact O-N 2.93Å; A31-R35 PolarHBondContact O-NH1 3.3Å; A31-L269 HydrophobicContact CB-CD1 3.89Å; A31-L269 HydrophobicContact CB-CD2 4.03Å
32A98.5Very high98.4Very high0 Ų038.7 Ų38.70%024%0.24CC..Hα-helixtrans-68.7-47.1172.100000111.1I6 A28 I29 A34 R35 V37 V39 I264 V268 L269I6-A32 HydrophobicContact CD1-CB 4.01Å; A28-A32 PolarHBondContact O-N 3.09Å; I29-A32 PolarHBondContact O-N 3.04Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A32-A34 PolarHBondContact O-N 3.27Å; A32-R35 WeakPolarHBondContact O-CA 3.48Å; A32-R35 WeakPolarHBondContact O-CB 3.49Å; A32-R35 PolarHBondContact O-N 3.4Å; A32-V37 HydrophobicContact CB-CB 4.32Å; A32-V37 WeakPolarHBondContact O-CB 3.36Å; A32-V37 WeakPolarHBondContact O-CG2 3.28Å; A32-V37 PolarHBondContact O-N 3.32Å; A32-V39 HydrophobicContact CB-CG2 4.24Å; A32-I264 HydrophobicContact CB-CG2 3.95Å; A32-V268 HydrophobicContact CB-CG1 4.15Å; A32-L269 HydrophobicContact CB-CD2 4.47Å
33R98.2Very high98.3Very high50 Ų5038.3 Ų38.319%0.18924%0.237CC..Hα-helixtrans-60.8-39.7177.2-70.2172.961.766.6-0.1112.1I29 A30 R35 G36 V39 H58 D64I29-R33 HydrophobicContact CG2-CG 4.38Å; I29-R33 WeakPolarHBondContact O-CB 3.46Å; I29-R33 VanDerWaalsContact O-CG 3.28Å; I29-R33 WeakPolarHBondContact O-CG 3.49Å; I29-R33 PolarHBondContact O-N 2.98Å; A30-R33 PolarHBondContact O-N 3.46Å; R33-R35 PolarHBondContact O-N 2.94Å; R33-G36 WeakPolarHBondContact O-CA 3.45Å; R33-G36 PolarHBondContact O-N 2.88Å; R33-V39 HydrophobicContact CG-CB 4.19Å; R33-V39 HydrophobicContact CG-CG2 3.78Å; R33-H58 PolarHBondContact NH2-O 3.12Å; R33-D64 IonicContact CZ-OD1 2.59Å; R33-D64 IonicContact CZ-OD2 3.34Å; R33-D64 IonicContact NH1-OD1 2.81Å; R33-D64 PolarHBondContact NH1-OD1 2.75Å; R33-D64 IonicContact NH1-OD2 2.69Å; R33-D64 VanDerWaalsContact NH2-CG 3.27Å; R33-D64 IonicContact NH2-OD1 2.66Å; R33-D64 PolarHBondContact NH2-OD1 3.19Å; R33-D64 VanDerWaalsContact NH2-OD1 3.08Å; R33-D64 IonicContact NH2-OD2 3.08Å; R33-D64 PolarHBondContact NH2-OD2 2.94Å
34A97.5Very high98.3Very high92 Ų9234 Ų3476%0.7621%0.211SC*.Hα-helixtrans-62.6-22.317500000113.5A30 A32 G36A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.38Å; A32-A34 VanDerWaalsContact C-N 3.32Å; A32-A34 PolarHBondContact O-N 3.27Å; A34-G36 VanDerWaalsContact C-N 3.31Å
35R97.2Very high98.2Very high140 Ų14032.9 Ų32.953%0.52820%0.198SC..THydrogen-bonded Turntrans-88.16.6172-69174172.980.8-13.2113.2A31 A32 R33 V37 L269A31-R35 WeakPolarHBondContact O-CG 3.36Å; A31-R35 PolarHBondContact O-N 2.93Å; A31-R35 PolarHBondContact O-NH1 3.3Å; A32-R35 WeakPolarHBondContact O-CA 3.48Å; A32-R35 WeakPolarHBondContact O-CB 3.49Å; A32-R35 PolarHBondContact O-N 3.4Å; R33-R35 PolarHBondContact O-N 2.94Å; R35-V37 HydrophobicContact CB-CG2 4.4Å; R35-L269 PolarHBondContact NH2-O 3.23Å
36G96.5Very high98.1Very high60 Ų6032.7 Ų32.762%0.61920%0.197SC*.THydrogen-bonded Turntrans80.715-179.500000114.4R33 A34R33-G36 WeakPolarHBondContact O-CA 3.45Å; R33-G36 PolarHBondContact O-N 2.88Å; A34-G36 VanDerWaalsContact C-N 3.31Å
37V98.2Very high98Very high11 Ų1131 Ų317%0.06719%0.19CC..  trans-81.7130.2177.5-174.40000110I3 I6 A32 R35 V39 V268I3-V37 HydrophobicContact CG2-CG1 4.24Å; I3-V37 WeakPolarHBondContact O-CG2 3.39Å; I6-V37 HydrophobicContact CD1-CG1 3.88Å; I6-V37 HydrophobicContact CG1-CG1 3.65Å; A32-V37 HydrophobicContact CB-CB 4.32Å; A32-V37 WeakPolarHBondContact O-CB 3.36Å; A32-V37 WeakPolarHBondContact O-CG2 3.28Å; A32-V37 PolarHBondContact O-N 3.32Å; R35-V37 HydrophobicContact CB-CG2 4.4Å; V37-V39 PolarHBondContact O-N 3.48Å; V37-V268 HydrophobicContact CG2-CG1 3.83Å
38N98.2Very high97.8Very high42 Ų4226.8 Ų26.823%0.22517%0.17CC..EExtended strand (participates in β ladder)trans-75.8110.6176-60.4-84.8000109.2K4 L5 I6K4-N38 WeakPolarHBondContact O-CB 3.41Å; K4-N38 PolarHBondContact O-N 2.89Å; K4-N38 PolarHBondContact O-ND2 3.34Å; L5-N38 CarbonylContact C-O 3.55Å; L5-N38 WeakPolarHBondContact CA-O 3.39Å; L5-N38 HydrophobicContact CB-CB 4.45Å; L5-N38 HydrophobicContact CG-CB 4.37Å; I6-N38 PolarHBondContact N-O 3.01Å
39V98.7Very high97.7Very high2 Ų226.8 Ų26.81%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-98.3125.8173.7-177.10000108.6I6 I8 I29 A32 R33 V37 M59I6-V39 HydrophobicContact CB-CG2 4.42Å; I6-V39 HydrophobicContact CD1-CG2 4.17Å; I8-V39 HydrophobicContact CD1-CG1 3.6Å; I8-V39 HydrophobicContact CG1-CG1 4.34Å; I29-V39 HydrophobicContact CG1-CG1 4.37Å; I29-V39 HydrophobicContact CG2-CB 4.36Å; I29-V39 HydrophobicContact CG2-CG1 4.08Å; I29-V39 HydrophobicContact CG2-CG2 4.36Å; A32-V39 HydrophobicContact CB-CG2 4.24Å; R33-V39 HydrophobicContact CG-CB 4.19Å; R33-V39 HydrophobicContact CG-CG2 3.78Å; V37-V39 PolarHBondContact O-N 3.48Å; V39-M59 HydrophobicContact CB-CE 3.74Å; V39-M59 HydrophobicContact CG1-CE 3.55Å; V39-M59 WeakPolarHBondContact O-CE 3.33Å
40V98.7Very high97.6Very high3 Ų326.8 Ų26.82%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-127.3113.4-170-1760000109.7L5 I6 A7 I8 T42 I67 L204L5-V40 HydrophobicContact CD1-CG2 4.11Å; L5-V40 HydrophobicContact CD2-CG2 4.4Å; L5-V40 HydrophobicContact CG-CG2 4.08Å; I6-V40 PolarHBondContact O-N 3.21Å; A7-V40 WeakPolarHBondContact CA-O 3.37Å; I8-V40 PolarHBondContact N-O 3.46Å; V40-T42 PolarHBondContact O-N 3.39Å; V40-T42 PolarHBondContact O-OG1 3.2Å; V40-I67 HydrophobicContact CG1-CD1 3.96Å; V40-I67 HydrophobicContact CG1-CG1 3.97Å; V40-L204 HydrophobicContact CB-CD2 4.36Å; V40-L204 HydrophobicContact CG1-CD2 3.79Å; V40-L204 HydrophobicContact CG2-CD2 3.68Å
41L98.8Very high97.4Very high0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-68.1125.6170.8-55.8-168.1000109.2M10 L14 V50 L54 L57 M59 I67M10-L41 HydrophobicContact SD-CD1 4.32Å; L14-L41 HydrophobicContact CD2-CD1 4.5Å; L14-L41 HydrophobicContact CD2-CD2 3.79Å; L41-V50 HydrophobicContact CB-CG1 4.46Å; L41-V50 HydrophobicContact CD1-CG1 4.1Å; L41-L54 HydrophobicContact CB-CD2 4.44Å; L41-L54 HydrophobicContact CD1-CD2 3.72Å; L41-L54 HydrophobicContact CD1-CG 4.45Å; L41-L54 HydrophobicContact CG-CD2 3.98Å; L41-L57 HydrophobicContact CD1-CD1 4.21Å; L41-L57 HydrophobicContact CD2-CD1 3.98Å; L41-L57 HydrophobicContact CG-CD1 4.49Å; L41-M59 HydrophobicContact CD2-CE 4.37Å; L41-M59 HydrophobicContact CG-SD 4.16Å; L41-I67 PolarHBondContact O-N 3.34Å
42T98.8Very high97.3Very high0 Ų030.9 Ų30.90%018%0.179CC..EExtended strand (participates in β ladder)trans-129.195.1-170.9-57.30000110.2I8 D9 V40 I67 K197 V201 M227I8-T42 PolarHBondContact O-N 3.23Å; D9-T42 WeakPolarHBondContact CA-O 3.43Å; V40-T42 PolarHBondContact O-N 3.39Å; V40-T42 PolarHBondContact O-OG1 3.2Å; T42-I67 CarbonylContact C-O 3.56Å; T42-I67 WeakPolarHBondContact CA-O 3.38Å; T42-I67 HydrophobicContact CG2-CB 4.02Å; T42-I67 HydrophobicContact CG2-CD1 4.21Å; T42-I67 HydrophobicContact CG2-CG2 4.06Å; T42-K197 HydrophobicContact CG2-CB 3.92Å; T42-K197 HydrophobicContact CG2-CD 4.15Å; T42-K197 HydrophobicContact CG2-CG 3.92Å; T42-K197 VanDerWaalsContact O-CE 3.28Å; T42-K197 WeakPolarHBondContact O-CE 3.45Å; T42-V201 HydrophobicContact CG2-CG2 4.01Å; T42-M227 HydrophobicContact CG2-SD 3.69Å
43T98.2Very high97.3Very high1 Ų132.3 Ų32.31%0.00618%0.184CC..  trans-135.3158.3-162.7-177.90000113.7M10 R45 V50 I67 T68 Y69 N70M10-T43 HydrophobicContact CG-CG2 4.43Å; M10-T43 HydrophobicContact SD-CG2 3.65Å; T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 HydrophobicContact CG2-CB 3.89Å; T43-R45 PolarHBondContact OG1-N 2.96Å; T43-V50 HydrophobicContact CG2-CG2 3.58Å; T43-I67 PolarHBondContact N-O 3.01Å; T43-T68 HydrophobicContact CG2-CG2 4.4Å; T43-T68 CarbonylContact O-C 3.59Å; T43-T68 WeakPolarHBondContact O-CA 3.49Å; T43-Y69 PolarHBondContact O-N 2.91Å; T43-N70 PolarHBondContact O-N 3.31Å
44G96.8Very high97.3Very high6 Ų630 Ų306%0.06218%0.176CC..SBendtrans-72.9-19.7166.100000113.8N70 K153G44-N70 WeakPolarHBondContact CA-OD1 3.4Å; G44-N70 PolarHBondContact N-OD1 3.27Å; G44-K153 WeakPolarHBondContact O-CE 3.24Å; G44-K153 PolarHBondContact O-NZ 3.04Å
45R96.7Very high97.4Very high13 Ų1332 Ų325%0.04917%0.167CC..SBendtrans-61.2149.3-177.7-69.9179.2175-127.3-3.5112.1D11 T43 V50 T68 Y69D11-R45 IonicContact OD1-CZ 2.67Å; D11-R45 IonicContact OD1-NE 3.79Å; D11-R45 PolarHBondContact OD1-NE 2.94Å; D11-R45 IonicContact OD1-NH2 2.8Å; D11-R45 PolarHBondContact OD1-NH2 3.32Å; D11-R45 IonicContact OD2-CZ 3.16Å; D11-R45 IonicContact OD2-NE 3.54Å; D11-R45 PolarHBondContact OD2-NE 3.3Å; D11-R45 IonicContact OD2-NH2 3.94Å; D11-R45 PolarHBondContact OD2-NH2 3.4Å; T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 HydrophobicContact CG2-CB 3.89Å; T43-R45 PolarHBondContact OG1-N 2.96Å; R45-V50 HydrophobicContact CB-CG2 3.89Å; R45-T68 WeakPolarHBondContact O-CB 3.33Å; R45-Y69 PolarHBondContact O-N 3.35Å
46P96.7Very high97.4Very high0 Ų028.8 Ų28.80%016%0.158CC..  trans-65.4157163.831-36.2000110.5A48 G49 V50 Y69 L110 A133 I135P46-A48 HydrophobicContact CG-CB 4.47Å; P46-A48 PolarHBondContact O-N 2.93Å; P46-G49 PolarHBondContact O-N 3.35Å; P46-V50 WeakPolarHBondContact O-CG2 3.42Å; P46-Y69 VanDerWaalsContact CA-CZ 3.41Å; P46-Y69 HydrophobicContact CB-CD1 4.44Å; P46-Y69 HydrophobicContact CB-CE1 3.58Å; P46-Y69 HydrophobicContact CB-CE2 4.07Å; P46-Y69 VanDerWaalsContact CB-OH 3.24Å; P46-Y69 WeakPolarHBondContact CB-OH 3.48Å; P46-L110 HydrophobicContact CB-CD2 4.34Å; P46-L110 HydrophobicContact CG-CD2 4.31Å; P46-A133 HydrophobicContact CG-CB 3.73Å; P46-I135 HydrophobicContact CB-CD1 3.86Å; P46-I135 HydrophobicContact CG-CB 4.25Å; P46-I135 HydrophobicContact CG-CD1 3.98Å; P46-I135 HydrophobicContact CG-CG2 4.34Å
47Y96.9Very high97.5Very high32 Ų3226.4 Ų26.413%0.12513%0.131CC..G310 helixtrans-54.4-30.9177.7-176.1-100.1000113.5G49 V50 H51 L54 T68 A77 G80 R112Y47-G49 PolarHBondContact O-N 3.32Å; Y47-V50 PolarHBondContact O-N 2.95Å; Y47-H51 HydrophobicContact CD1-CB 4.29Å; Y47-H51 HydrophobicContact CE1-CB 3.73Å; Y47-H51 HydrophobicContact CE2-CB 4.49Å; Y47-H51 PolarHBondContact O-N 3.13Å; Y47-L54 HydrophobicContact CE2-CD1 3.9Å; Y47-T68 HydrophobicContact CD2-CG2 4.47Å; Y47-A77 PolarHBondContact OH-O 3.14Å; Y47-G80 VanDerWaalsContact CZ-CA 3.44Å; Y47-G80 WeakPolarHBondContact OH-CA 3.32Å; Y47-G80 PolarHBondContact OH-N 3.05Å; Y47-R112 VanDerWaalsContact CB-NH1 3.33Å
48A95.2Very high97.5Very high23 Ų2332.4 Ų32.419%0.1916%0.158CC..G310 helixtrans-50.8-40.5172.100000112P46 V50 H51 A133 T134 I135P46-A48 HydrophobicContact CG-CB 4.47Å; P46-A48 PolarHBondContact O-N 2.93Å; A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 PolarHBondContact O-N 3Å; A48-H51 PolarHBondContact O-CD2 2.73Å; A48-H51 PolarHBondContact O-NE2 3.26Å; A48-A133 CarbonylContact C-O 3.58Å; A48-A133 VanDerWaalsContact C-O 3.24Å; A48-A133 WeakPolarHBondContact CB-O 3.38Å; A48-T134 PolarHBondContact O-OG1 3.06Å; A48-I135 HydrophobicContact CB-CB 4.27Å
49G95.3Very high97.5Very high5 Ų530.4 Ų30.45%0.05215%0.147CC..G310 helixtrans-85.35.3179.800000114.9P46 Y47 Y53 A133P46-G49 PolarHBondContact O-N 3.35Å; Y47-G49 PolarHBondContact O-N 3.32Å; G49-Y53 WeakPolarHBondContact O-CD2 3.41Å; G49-Y53 WeakPolarHBondContact O-CE2 3.46Å; G49-A133 VanDerWaalsContact CA-O 3.27Å; G49-A133 WeakPolarHBondContact CA-O 3.48Å; G49-A133 PolarHBondContact N-O 3.12Å
50V97.2Very high97.3Very high0 Ų035.2 Ų35.20%017%0.17CC..THydrogen-bonded Turntrans-123.5-34.8-170.7-174.50000112.4M10 L41 T43 R45 P46 Y47 A48 N52 Y53 L54 T68M10-V50 HydrophobicContact CE-CG2 4.47Å; M10-V50 HydrophobicContact SD-CB 4.43Å; M10-V50 HydrophobicContact SD-CG1 4.05Å; M10-V50 HydrophobicContact SD-CG2 3.84Å; L41-V50 HydrophobicContact CB-CG1 4.46Å; L41-V50 HydrophobicContact CD1-CG1 4.1Å; T43-V50 HydrophobicContact CG2-CG2 3.58Å; R45-V50 HydrophobicContact CB-CG2 3.89Å; P46-V50 WeakPolarHBondContact O-CG2 3.42Å; Y47-V50 PolarHBondContact O-N 2.95Å; A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 PolarHBondContact O-N 3Å; V50-N52 VanDerWaalsContact C-N 3.26Å; V50-N52 PolarHBondContact O-N 3.41Å; V50-N52 VanDerWaalsContact O-N 3.12Å; V50-Y53 WeakPolarHBondContact O-CB 3.42Å; V50-Y53 PolarHBondContact O-N 3.04Å; V50-L54 HydrophobicContact CG1-CD1 4.15Å; V50-L54 HydrophobicContact CG1-CD2 4.27Å; V50-L54 HydrophobicContact CG1-CG 4Å; V50-L54 PolarHBondContact O-N 3.08Å; V50-L54 VanDerWaalsContact O-N 3.12Å; V50-T68 HydrophobicContact CB-CG2 4.49Å; V50-T68 HydrophobicContact CG2-CG2 4.09Å
51H95.4Very high97.2Very high71 Ų7140.8 Ų40.833%0.32920%0.196SC..Hα-helixtrans-58.1-33.7-170.470.978.5000114.3Y47 A48 L54 K55Y47-H51 HydrophobicContact CD1-CB 4.29Å; Y47-H51 HydrophobicContact CE1-CB 3.73Å; Y47-H51 HydrophobicContact CE2-CB 4.49Å; Y47-H51 PolarHBondContact O-N 3.13Å; A48-H51 PolarHBondContact O-CD2 2.73Å; A48-H51 PolarHBondContact O-NE2 3.26Å; H51-L54 PolarHBondContact O-N 2.87Å; H51-K55 PolarHBondContact O-N 2.9Å
52N96.6Very high96.9Very high97 Ų9745.7 Ų45.752%0.51923%0.227SC..Hα-helixtrans-67.8-36.9177.3-72.7-31.9000112.2V50 K55 E56V50-N52 VanDerWaalsContact C-N 3.26Å; V50-N52 PolarHBondContact O-N 3.41Å; V50-N52 VanDerWaalsContact O-N 3.12Å; N52-K55 PolarHBondContact O-N 2.95Å; N52-E56 WeakPolarHBondContact O-CB 3.44Å; N52-E56 PolarHBondContact O-N 3.14Å
53Y98.3Very high96.7Very high30 Ų3047.3 Ų47.312%0.11824%0.244CC..Hα-helixtrans-70.7-36.4176.4-62.9-72.5000112M10 L15 H19 I21 G49 V50 K55 E56 L57M10-Y53 HydrophobicContact CE-CD2 3.24Å; M10-Y53 HydrophobicContact CE-CE2 3.52Å; M10-Y53 HydrophobicContact CE-CG 3.86Å; L15-Y53 HydrophobicContact CD1-CE1 4.37Å; L15-Y53 HydrophobicContact CD1-CE2 4.37Å; L15-Y53 HydrophobicContact CD2-CD1 4.01Å; L15-Y53 HydrophobicContact CD2-CE1 3.52Å; H19-Y53 WeakPolarHBondContact O-CE1 3.29Å; H19-Y53 PolarHBondContact O-OH 3.01Å; I21-Y53 HydrophobicContact CD1-CD1 3.73Å; I21-Y53 HydrophobicContact CG1-CD1 4.06Å; I21-Y53 HydrophobicContact CG1-CE1 4.37Å; G49-Y53 WeakPolarHBondContact O-CD2 3.41Å; G49-Y53 WeakPolarHBondContact O-CE2 3.46Å; V50-Y53 WeakPolarHBondContact O-CB 3.42Å; V50-Y53 PolarHBondContact O-N 3.04Å; Y53-K55 VanDerWaalsContact C-N 3.3Å; Y53-K55 PolarHBondContact O-N 3.35Å; Y53-E56 PolarHBondContact O-N 3.02Å; Y53-L57 WeakPolarHBondContact O-CB 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.2Å; Y53-L57 PolarHBondContact O-N 2.72Å
54L98.3Very high96.7Very high3 Ų347.8 Ų47.82%0.01625%0.247CC..Hα-helixtrans-58.9-45.3173.5-62.1174000110.7L41 Y47 V50 H51 L57 H58 M59 C66 A77L41-L54 HydrophobicContact CB-CD2 4.44Å; L41-L54 HydrophobicContact CD1-CD2 3.72Å; L41-L54 HydrophobicContact CD1-CG 4.45Å; L41-L54 HydrophobicContact CG-CD2 3.98Å; Y47-L54 HydrophobicContact CE2-CD1 3.9Å; V50-L54 HydrophobicContact CG1-CD1 4.15Å; V50-L54 HydrophobicContact CG1-CD2 4.27Å; V50-L54 HydrophobicContact CG1-CG 4Å; V50-L54 PolarHBondContact O-N 3.08Å; V50-L54 VanDerWaalsContact O-N 3.12Å; H51-L54 PolarHBondContact O-N 2.87Å; L54-L57 CarbonylContact O-C 3.58Å; L54-L57 PolarHBondContact O-N 3.31Å; L54-H58 PolarHBondContact O-N 3.42Å; L54-H58 VanDerWaalsContact O-N 3.14Å; L54-M59 HydrophobicContact CB-CB 4.25Å; L54-M59 HydrophobicContact CD2-CB 4.19Å; L54-M59 HydrophobicContact CD2-SD 3.73Å; L54-M59 PolarHBondContact O-N 3.07Å; L54-C66 HydrophobicContact CD1-CB 4.17Å; L54-C66 HydrophobicContact CD2-CB 4.06Å; L54-A77 HydrophobicContact CD1-CB 3.94Å; L54-A77 HydrophobicContact CD2-CB 4.18Å; L54-A77 HydrophobicContact CG-CB 4.49Å
55K97.7Very high96.8Very high134 Ų13448.5 Ų48.558%0.58325%0.248SC*.Hα-helixtrans-62.9-45.9175.1-174.6179-178.4-179.80112.1H51 N52 Y53 L57 H58H51-K55 PolarHBondContact O-N 2.9Å; N52-K55 PolarHBondContact O-N 2.95Å; Y53-K55 VanDerWaalsContact C-N 3.3Å; Y53-K55 PolarHBondContact O-N 3.35Å; K55-L57 PolarHBondContact O-N 2.89Å; K55-H58 PolarHBondContact O-N 2.86Å
56E98.2Very high96.8Very high72 Ų7247.9 Ų47.934%0.33625%0.245SC..Hα-helixtrans-59.7-33.9177.5-177.1174.7-161.900112.9K26 N52 Y53K26-E56 WeakPolarHBondContact CE-OE1 3.45Å; K26-E56 IonicContact NZ-OE1 2.6Å; K26-E56 PolarHBondContact NZ-OE1 3.39Å; N52-E56 WeakPolarHBondContact O-CB 3.44Å; N52-E56 PolarHBondContact O-N 3.14Å; Y53-E56 PolarHBondContact O-N 3.02Å
57L98.5Very high96.9Very high9 Ų947.9 Ų47.95%0.04725%0.246CC..THydrogen-bonded Turntrans-90.26.6177-65.7175.8000113.9L14 I21 K26 I29 L41 Y53 L54 K55 M59L14-L57 HydrophobicContact CD2-CD1 4.37Å; I21-L57 HydrophobicContact CD1-CD1 3.95Å; I21-L57 HydrophobicContact CD1-CD2 3.96Å; I21-L57 HydrophobicContact CD1-CG 3.89Å; K26-L57 HydrophobicContact CG-CD2 4.17Å; I29-L57 HydrophobicContact CD1-CD1 4.07Å; I29-L57 HydrophobicContact CD1-CD2 3.94Å; I29-L57 HydrophobicContact CG2-CD2 4.27Å; L41-L57 HydrophobicContact CD1-CD1 4.21Å; L41-L57 HydrophobicContact CD2-CD1 3.98Å; L41-L57 HydrophobicContact CG-CD1 4.49Å; Y53-L57 WeakPolarHBondContact O-CB 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.2Å; Y53-L57 PolarHBondContact O-N 2.72Å; L54-L57 CarbonylContact O-C 3.58Å; L54-L57 PolarHBondContact O-N 3.31Å; K55-L57 PolarHBondContact O-N 2.89Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 HydrophobicContact CB-CE 4.1Å; L57-M59 HydrophobicContact CB-CG 4.04Å; L57-M59 HydrophobicContact CB-SD 4.18Å; L57-M59 HydrophobicContact CD1-CE 3.91Å; L57-M59 HydrophobicContact CD1-SD 4.31Å; L57-M59 PolarHBondContact O-N 2.97Å
58H97.8Very high97Very high137 Ų13746.4 Ų46.463%0.63424%0.24SC*.THydrogen-bonded Turntrans54.141.7-178.3-49.491000113R33 L54 K55 E60R33-H58 PolarHBondContact NH2-O 3.12Å; L54-H58 PolarHBondContact O-N 3.42Å; L54-H58 VanDerWaalsContact O-N 3.14Å; K55-H58 PolarHBondContact O-N 2.86Å; H58-E60 VanDerWaalsContact C-N 3.35Å; H58-E60 PolarHBondContact O-N 3.44Å
59M97.9Very high97.1Very high0 Ų045.3 Ų45.30%023%0.23CC..  trans-93.159.8177.3-66.4178.9173.700111.4I29 V39 L41 L54 L57 D64 A77I29-M59 HydrophobicContact CG2-CE 4.06Å; V39-M59 HydrophobicContact CB-CE 3.74Å; V39-M59 HydrophobicContact CG1-CE 3.55Å; V39-M59 WeakPolarHBondContact O-CE 3.33Å; L41-M59 HydrophobicContact CD2-CE 4.37Å; L41-M59 HydrophobicContact CG-SD 4.16Å; L54-M59 HydrophobicContact CB-CB 4.25Å; L54-M59 HydrophobicContact CD2-CB 4.19Å; L54-M59 HydrophobicContact CD2-SD 3.73Å; L54-M59 PolarHBondContact O-N 3.07Å; L57-M59 VanDerWaalsContact C-N 3.28Å; L57-M59 HydrophobicContact CB-CE 4.1Å; L57-M59 HydrophobicContact CB-CG 4.04Å; L57-M59 HydrophobicContact CB-SD 4.18Å; L57-M59 HydrophobicContact CD1-CE 3.91Å; L57-M59 HydrophobicContact CD1-SD 4.31Å; L57-M59 PolarHBondContact O-N 2.97Å; M59-D64 VanDerWaalsContact CA-OD2 3.23Å; M59-D64 WeakPolarHBondContact CA-OD2 3.47Å; M59-D64 HydrophobicContact CB-CB 4.22Å; M59-A77 HydrophobicContact CB-CB 4.28Å; M59-A77 WeakPolarHBondContact O-CB 3.44Å
60E95.9Very high97.2Very high104 Ų10445.2 Ų45.249%0.48623%0.229SC..  trans-1199.1-174.7-59.9176.3124.100112.6H58 D64 A78H58-E60 VanDerWaalsContact C-N 3.35Å; H58-E60 PolarHBondContact O-N 3.44Å; E60-D64 PolarHBondContact N-OD2 3.44Å; E60-D64 VanDerWaalsContact N-OD2 3.13Å; E60-A78 WeakPolarHBondContact O-CB 3.37Å
61Q95.3Very high97.3Very high119 Ų11945.4 Ų45.456%0.55623%0.231SC*.SBendtrans-82155.9180-57.5-56.9-47.400111.4G63 D64Q61-G63 PolarHBondContact O-N 3.08Å; Q61-D64 WeakPolarHBondContact CA-OD2 3.47Å; Q61-D64 VanDerWaalsContact CB-OD2 3.28Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.46Å; Q61-D64 PolarHBondContact N-OD2 3.13Å; Q61-D64 WeakPolarHBondContact O-CB 3.5Å; Q61-D64 PolarHBondContact O-N 2.69Å
62P92.9Very high97.4Very high103 Ų10342.1 Ų42.167%0.66922%0.216SC*.THydrogen-bonded Turntrans-57.4-23.3-179.5-27.535.5000115.2K76P62-K76 PolarHBondContact O-NZ 3.4Å
63G94.5Very high97.4Very high34 Ų3437.5 Ų37.535%0.35119%0.191SC..THydrogen-bonded Turntrans-92.23.2176.800000114.7Q61 Y65Q61-G63 PolarHBondContact O-N 3.08Å; G63-Y65 WeakPolarHBondContact O-CD2 3.28Å; G63-Y65 WeakPolarHBondContact O-CE2 3.49Å
64D98.1Very high97.4Very high11 Ų1136.1 Ų36.16%0.05919%0.186CC..  trans-88.8137.9-179.9-65.9-34.6000111.3R33 M59 E60 Q61 A77R33-D64 IonicContact CZ-OD1 2.59Å; R33-D64 IonicContact CZ-OD2 3.34Å; R33-D64 IonicContact NH1-OD1 2.81Å; R33-D64 PolarHBondContact NH1-OD1 2.75Å; R33-D64 IonicContact NH1-OD2 2.69Å; R33-D64 VanDerWaalsContact NH2-CG 3.27Å; R33-D64 IonicContact NH2-OD1 2.66Å; R33-D64 PolarHBondContact NH2-OD1 3.19Å; R33-D64 VanDerWaalsContact NH2-OD1 3.08Å; R33-D64 IonicContact NH2-OD2 3.08Å; R33-D64 PolarHBondContact NH2-OD2 2.94Å; M59-D64 VanDerWaalsContact CA-OD2 3.23Å; M59-D64 WeakPolarHBondContact CA-OD2 3.47Å; M59-D64 HydrophobicContact CB-CB 4.22Å; E60-D64 PolarHBondContact N-OD2 3.44Å; E60-D64 VanDerWaalsContact N-OD2 3.13Å; Q61-D64 WeakPolarHBondContact CA-OD2 3.47Å; Q61-D64 VanDerWaalsContact CB-OD2 3.28Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.46Å; Q61-D64 PolarHBondContact N-OD2 3.13Å; Q61-D64 WeakPolarHBondContact O-CB 3.5Å; Q61-D64 PolarHBondContact O-N 2.69Å; D64-A77 HydrophobicContact CB-CB 3.75Å; D64-A77 PolarHBondContact O-N 2.88Å
65Y98.5Very high97.4Very high21 Ų2136 Ų368%0.08219%0.186CC..EExtended strand (participates in β ladder)trans-135.3158.4-176.3-62.6-97.6000110.9G63 Q75 K76 V83 L204 L208G63-Y65 WeakPolarHBondContact O-CD2 3.28Å; G63-Y65 WeakPolarHBondContact O-CE2 3.49Å; Y65-Q75 CarbonylContact C-O 3.59Å; Y65-Q75 WeakPolarHBondContact CA-O 3.23Å; Y65-Q75 WeakPolarHBondContact CB-O 3.18Å; Y65-K76 HydrophobicContact CD1-CD 3.96Å; Y65-K76 HydrophobicContact CE1-CD 3.61Å; Y65-K76 PolarHBondContact OH-NZ 3.17Å; Y65-V83 HydrophobicContact CD1-CG2 4.04Å; Y65-V83 HydrophobicContact CE1-CG1 4.47Å; Y65-V83 HydrophobicContact CE1-CG2 3.86Å; Y65-L204 HydrophobicContact CD1-CD1 3.58Å; Y65-L204 HydrophobicContact CD2-CD1 3.81Å; Y65-L204 HydrophobicContact CE1-CD1 3.83Å; Y65-L204 HydrophobicContact CE2-CD1 4.1Å; Y65-L204 HydrophobicContact CG-CD1 3.55Å; Y65-L204 HydrophobicContact CG-CD2 4.21Å; Y65-L208 HydrophobicContact CE2-CD1 4.44Å; Y65-L208 HydrophobicContact CE2-CD2 3.97Å
66C98.5Very high97.4Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-136.4153.5166.863.50000110.4L54 Q75L54-C66 HydrophobicContact CD1-CB 4.17Å; L54-C66 HydrophobicContact CD2-CB 4.06Å; C66-Q75 PolarHBondContact N-O 2.82Å; C66-Q75 PolarHBondContact O-N 2.9Å
67I98.7Very high97.3Very high1 Ų129 Ų291%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-116.6118.5175.5-60.8166.7000107.1V40 L41 T42 T43 V74 G200 V201 L204V40-I67 HydrophobicContact CG1-CD1 3.96Å; V40-I67 HydrophobicContact CG1-CG1 3.97Å; L41-I67 PolarHBondContact O-N 3.34Å; T42-I67 CarbonylContact C-O 3.56Å; T42-I67 WeakPolarHBondContact CA-O 3.38Å; T42-I67 HydrophobicContact CG2-CB 4.02Å; T42-I67 HydrophobicContact CG2-CD1 4.21Å; T42-I67 HydrophobicContact CG2-CG2 4.06Å; T43-I67 PolarHBondContact N-O 3.01Å; I67-V74 HydrophobicContact CG1-CG1 4.33Å; I67-V74 HydrophobicContact CG1-CG2 4.24Å; I67-G200 VanDerWaalsContact CD1-C 3.49Å; I67-V201 HydrophobicContact CD1-CB 4.37Å; I67-V201 HydrophobicContact CD1-CG2 3.79Å; I67-L204 HydrophobicContact CD1-CD2 4.38Å
68T98.4Very high97.2Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-122.9170.1-174.159.50000110.2T43 R45 Y47 V50 N70 G71 L73 Q75T43-T68 HydrophobicContact CG2-CG2 4.4Å; T43-T68 CarbonylContact O-C 3.59Å; T43-T68 WeakPolarHBondContact O-CA 3.49Å; R45-T68 WeakPolarHBondContact O-CB 3.33Å; Y47-T68 HydrophobicContact CD2-CG2 4.47Å; V50-T68 HydrophobicContact CB-CG2 4.49Å; V50-T68 HydrophobicContact CG2-CG2 4.09Å; T68-N70 VanDerWaalsContact C-N 3.26Å; T68-N70 PolarHBondContact O-N 2.79Å; T68-G71 PolarHBondContact O-N 2.99Å; T68-L73 PolarHBondContact N-O 2.85Å; T68-L73 PolarHBondContact O-N 2.88Å; T68-Q75 PolarHBondContact OG1-OE1 2.66Å
69Y97.9Very high97Very high0 Ų029.9 Ų29.90%017%0.172CC..G310 helixtrans50.844.5-178.7-57.2-94.2000112.6T43 R45 P46 G71 A72 L73 L110 D111 R112 L152 K153 L191T43-Y69 PolarHBondContact O-N 2.91Å; R45-Y69 PolarHBondContact O-N 3.35Å; P46-Y69 VanDerWaalsContact CA-CZ 3.41Å; P46-Y69 HydrophobicContact CB-CD1 4.44Å; P46-Y69 HydrophobicContact CB-CE1 3.58Å; P46-Y69 HydrophobicContact CB-CE2 4.07Å; P46-Y69 VanDerWaalsContact CB-OH 3.24Å; P46-Y69 WeakPolarHBondContact CB-OH 3.48Å; Y69-G71 PolarHBondContact O-N 3.27Å; Y69-G71 VanDerWaalsContact O-N 3.12Å; Y69-A72 VanDerWaalsContact O-CB 3.29Å; Y69-A72 WeakPolarHBondContact O-CB 3.49Å; Y69-A72 PolarHBondContact O-N 3.42Å; Y69-L73 HydrophobicContact CD2-CB 3.97Å; Y69-L73 HydrophobicContact CD2-CD2 4.12Å; Y69-L73 HydrophobicContact CE2-CD2 4.02Å; Y69-L110 HydrophobicContact CD1-CB 4.43Å; Y69-L110 HydrophobicContact CE1-CB 3.95Å; Y69-L110 HydrophobicContact CE1-CD2 4.13Å; Y69-D111 WeakPolarHBondContact CE1-O 3.4Å; Y69-D111 PolarHBondContact OH-O 3.47Å; Y69-R112 WeakPolarHBondContact OH-CA 3.21Å; Y69-R112 PolarHBondContact OH-O 3.02Å; Y69-L152 HydrophobicContact CD1-CB 3.79Å; Y69-L152 HydrophobicContact CD1-CD1 4.15Å; Y69-L152 HydrophobicContact CD2-CB 4.5Å; Y69-L152 HydrophobicContact CD2-CD1 3.77Å; Y69-L152 HydrophobicContact CE1-CB 4.19Å; Y69-L152 HydrophobicContact CE1-CD1 3.97Å; Y69-L152 HydrophobicContact CE2-CD1 3.6Å; Y69-L152 HydrophobicContact CG-CB 3.95Å; Y69-L152 HydrophobicContact CG-CD1 4.05Å; Y69-K153 HydrophobicContact CD1-CD 4.01Å; Y69-K153 HydrophobicContact CD1-CG 4.05Å; Y69-L191 WeakPolarHBondContact O-CD2 3.14Å
70N97.4Very high96.9Very high3 Ų330.1 Ų30.12%0.01617%0.174CC..G310 helixtrans55.330.9-179.9-91.45.8000113.6T43 G44 T68 L191 N196 K197 N223T43-N70 PolarHBondContact O-N 3.31Å; G44-N70 WeakPolarHBondContact CA-OD1 3.4Å; G44-N70 PolarHBondContact N-OD1 3.27Å; T68-N70 VanDerWaalsContact C-N 3.26Å; T68-N70 PolarHBondContact O-N 2.79Å; N70-L191 HydrophobicContact CB-CD1 3.97Å; N70-L191 HydrophobicContact CB-CD2 3.65Å; N70-L191 HydrophobicContact CB-CG 4.47Å; N70-N196 CarbonylContact O-C 3.52Å; N70-N196 WeakPolarHBondContact O-CA 3.33Å; N70-K197 PolarHBondContact O-N 2.67Å; N70-K197 VanDerWaalsContact O-N 3.08Å; N70-K197 WeakPolarHBondContact OD1-CE 3.31Å; N70-N223 PolarHBondContact OD1-ND2 2.63Å
71G97.5Very high96.9Very high5 Ų527.6 Ų27.65%0.05217%0.168CC..G310 helixtrans94-3.1179.600000115.1T68 Y69 L73T68-G71 PolarHBondContact O-N 2.99Å; Y69-G71 PolarHBondContact O-N 3.27Å; Y69-G71 VanDerWaalsContact O-N 3.12Å; G71-L73 PolarHBondContact O-N 3.09Å
72A97.7Very high96.9Very high1 Ų125.2 Ų25.21%0.00816%0.161CC..THydrogen-bonded Turntrans-64.7-20.9171.300000112.6Y69 Q85 T86 L152 L191 V195Y69-A72 VanDerWaalsContact O-CB 3.29Å; Y69-A72 WeakPolarHBondContact O-CB 3.49Å; Y69-A72 PolarHBondContact O-N 3.42Å; A72-Q85 VanDerWaalsContact O-CA 3.31Å; A72-Q85 WeakPolarHBondContact O-CA 3.48Å; A72-T86 WeakPolarHBondContact CB-O 3.4Å; A72-T86 PolarHBondContact O-N 3.29Å; A72-L152 HydrophobicContact CB-CB 4.42Å; A72-L152 WeakPolarHBondContact CB-O 3.13Å; A72-L191 HydrophobicContact CB-CD2 4.13Å; A72-V195 HydrophobicContact CB-CG2 4.06Å
73L97.6Very high97Very high0 Ų023.1 Ų23.10%015%0.147CC..EExtended strand (participates in β ladder)trans-137125.9177.9-159.470.2000111.5T68 Y69 G71 Q75 T82 A84 Q85 R112 L152T68-L73 PolarHBondContact N-O 2.85Å; T68-L73 PolarHBondContact O-N 2.88Å; Y69-L73 HydrophobicContact CD2-CB 3.97Å; Y69-L73 HydrophobicContact CD2-CD2 4.12Å; Y69-L73 HydrophobicContact CE2-CD2 4.02Å; G71-L73 PolarHBondContact O-N 3.09Å; L73-Q75 VanDerWaalsContact CD2-CD 3.43Å; L73-Q75 HydrophobicContact CD2-CG 3.76Å; L73-Q75 HydrophobicContact CG-CG 3.69Å; L73-T82 HydrophobicContact CD1-CG2 3.71Å; L73-A84 WeakPolarHBondContact CA-O 3.03Å; L73-Q85 HydrophobicContact CD1-CB 3.75Å; L73-Q85 HydrophobicContact CD1-CG 3.78Å; L73-R112 VanDerWaalsContact CD2-CD 3.42Å; L73-L152 HydrophobicContact CD1-CD2 4.41Å; L73-L152 HydrophobicContact CD2-CD1 4.07Å
74V97.8Very high97Very high2 Ų223.4 Ų23.41%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-111.2132168.9-1760000107.6I67 V83 A84 L204I67-V74 HydrophobicContact CG1-CG1 4.33Å; I67-V74 HydrophobicContact CG1-CG2 4.24Å; V74-V83 HydrophobicContact CB-CB 4.41Å; V74-V83 HydrophobicContact CG1-CB 4.23Å; V74-V83 WeakPolarHBondContact O-CA 3.29Å; V74-V83 WeakPolarHBondContact O-CB 3.33Å; V74-V83 PolarHBondContact O-N 2.67Å; V74-A84 HydrophobicContact CB-CB 4.1Å; V74-A84 HydrophobicContact CG2-CB 4.21Å; V74-A84 PolarHBondContact N-O 2.95Å; V74-A84 PolarHBondContact O-N 3.24Å; V74-L204 HydrophobicContact CG1-CB 4.47Å; V74-L204 HydrophobicContact CG1-CD1 4.46Å
75Q97.9Very high97Very high0 Ų026 Ų260%016%0.158CC..EExtended strand (participates in β ladder)trans-137155.3-169.6-55.3173.5-106.700111.9Y65 C66 T68 L73 G80 S81Y65-Q75 CarbonylContact C-O 3.59Å; Y65-Q75 WeakPolarHBondContact CA-O 3.23Å; Y65-Q75 WeakPolarHBondContact CB-O 3.18Å; C66-Q75 PolarHBondContact N-O 2.82Å; C66-Q75 PolarHBondContact O-N 2.9Å; T68-Q75 PolarHBondContact OG1-OE1 2.66Å; L73-Q75 VanDerWaalsContact CD2-CD 3.43Å; L73-Q75 HydrophobicContact CD2-CG 3.76Å; L73-Q75 HydrophobicContact CG-CG 3.69Å; Q75-G80 PolarHBondContact NE2-O 3.48Å; Q75-S81 CarbonylContact C-O 3.59Å; Q75-S81 WeakPolarHBondContact CA-O 3.37Å; Q75-S81 WeakPolarHBondContact CB-O 3.45Å
76K97.5Very high96.9Very high55 Ų5526.6 Ų26.624%0.23916%0.164CC..EExtended strand (participates in β ladder)trans-70.5130.9161.3-69.4-68.7-170171.10109P62 Y65 A78 D79 G80 S81 V83P62-K76 PolarHBondContact O-NZ 3.4Å; Y65-K76 HydrophobicContact CD1-CD 3.96Å; Y65-K76 HydrophobicContact CE1-CD 3.61Å; Y65-K76 PolarHBondContact OH-NZ 3.17Å; K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 3.01Å; K76-D79 WeakPolarHBondContact CB-OD1 3.47Å; K76-G80 WeakPolarHBondContact O-CA 3.41Å; K76-G80 PolarHBondContact O-N 3.46Å; K76-S81 PolarHBondContact N-O 2.88Å; K76-V83 HydrophobicContact CD-CG2 4.42Å; K76-V83 HydrophobicContact CG-CG2 3.98Å
77A97.7Very high96.9Very high4 Ų427.9 Ų27.93%0.03317%0.174CC..THydrogen-bonded Turntrans-70.7-29.4-178.300000112.6Y47 L54 M59 D64Y47-A77 PolarHBondContact OH-O 3.14Å; L54-A77 HydrophobicContact CD1-CB 3.94Å; L54-A77 HydrophobicContact CD2-CB 4.18Å; L54-A77 HydrophobicContact CG-CB 4.49Å; M59-A77 HydrophobicContact CB-CB 4.28Å; M59-A77 WeakPolarHBondContact O-CB 3.44Å; D64-A77 HydrophobicContact CB-CB 3.75Å; D64-A77 PolarHBondContact O-N 2.88Å
78A95.2Very high96.9Very high54 Ų5428 Ų2845%0.44618%0.175SC..THydrogen-bonded Turntrans-66.1-39.4-175.500000114.2E60 K76E60-A78 WeakPolarHBondContact O-CB 3.37Å; K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 3.01Å
79D94.6Very high96.9Very high111 Ų11130.5 Ų30.559%0.59419%0.192SC*.THydrogen-bonded Turntrans-130.7-3-174.766-0.2000113.7K76 S81K76-D79 WeakPolarHBondContact CB-OD1 3.47Å; D79-S81 PolarHBondContact O-N 2.78Å; D79-S81 WeakPolarHBondContact OD1-CB 3.24Å; D79-S81 PolarHBondContact OD1-N 2.72Å; D79-S81 PolarHBondContact OD1-OG 3.45Å; D79-S81 PolarHBondContact OD2-OG 3.49Å
80G95.1Very high96.9Very high5 Ų532.7 Ų32.75%0.05220%0.201CC..  trans70.113.2-177.200000114.2Y47 Q75 K76 R112Y47-G80 VanDerWaalsContact CZ-CA 3.44Å; Y47-G80 WeakPolarHBondContact OH-CA 3.32Å; Y47-G80 PolarHBondContact OH-N 3.05Å; Q75-G80 PolarHBondContact NE2-O 3.48Å; K76-G80 WeakPolarHBondContact O-CA 3.41Å; K76-G80 PolarHBondContact O-N 3.46Å; G80-R112 PolarHBondContact O-NH2 3.33Å; G80-R112 VanDerWaalsContact O-NH2 3.12Å
81S95.7Very high97Very high50 Ų5038.4 Ų38.435%0.3523%0.231SC..  trans-65.2142.4176.761.10000111.5Q75 K76 D79Q75-S81 CarbonylContact C-O 3.59Å; Q75-S81 WeakPolarHBondContact CA-O 3.37Å; Q75-S81 WeakPolarHBondContact CB-O 3.45Å; K76-S81 PolarHBondContact N-O 2.88Å; D79-S81 PolarHBondContact O-N 2.78Å; D79-S81 WeakPolarHBondContact OD1-CB 3.24Å; D79-S81 PolarHBondContact OD1-N 2.72Å; D79-S81 PolarHBondContact OD1-OG 3.45Å; D79-S81 PolarHBondContact OD2-OG 3.49Å
82T96.1Very high97Very high69 Ų6939.2 Ų39.242%0.42324%0.235SC..EExtended strand (participates in β ladder)trans-75.4128.7-176.5-60.60000111.2L73 Q85L73-T82 HydrophobicContact CD1-CG2 3.71Å; T82-Q85 HydrophobicContact CG2-CB 3.83Å
83V94.9Very high97.1Very high59 Ų5939.3 Ų39.336%0.35824%0.235SC..EExtended strand (participates in β ladder)trans-98.6-42.6171.31790000110.3Y65 V74 K76Y65-V83 HydrophobicContact CD1-CG2 4.04Å; Y65-V83 HydrophobicContact CE1-CG1 4.47Å; Y65-V83 HydrophobicContact CE1-CG2 3.86Å; V74-V83 HydrophobicContact CB-CB 4.41Å; V74-V83 HydrophobicContact CG1-CB 4.23Å; V74-V83 WeakPolarHBondContact O-CA 3.29Å; V74-V83 WeakPolarHBondContact O-CB 3.33Å; V74-V83 PolarHBondContact O-N 2.67Å; K76-V83 HydrophobicContact CD-CG2 4.42Å; K76-V83 HydrophobicContact CG-CG2 3.98Å
84A94.7Very high97.1Very high40 Ų4043.6 Ų43.633%0.33125%0.251SS..EExtended strand (participates in β ladder)trans-144.9145.117500000110.2L73 V74L73-A84 WeakPolarHBondContact CA-O 3.03Å; V74-A84 HydrophobicContact CB-CB 4.1Å; V74-A84 HydrophobicContact CG2-CB 4.21Å; V74-A84 PolarHBondContact N-O 2.95Å; V74-A84 PolarHBondContact O-N 3.24Å
85Q96.7Very high97.2Very high66 Ų6647.7 Ų47.731%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-145.7132.7179.5-177.6174.1-58.200110.7A72 L73 T82 Q150 L152A72-Q85 VanDerWaalsContact O-CA 3.31Å; A72-Q85 WeakPolarHBondContact O-CA 3.48Å; L73-Q85 HydrophobicContact CD1-CB 3.75Å; L73-Q85 HydrophobicContact CD1-CG 3.78Å; T82-Q85 HydrophobicContact CG2-CB 3.83Å; Q85-Q150 VanDerWaalsContact NE2-CD 3.31Å; Q85-L152 HydrophobicContact CG-CD2 3.68Å
86T97.4Very high97.2Very high34 Ų3447.7 Ų47.721%0.20927%0.269CS..  trans-132.1122.3164.9-53.60000108.2A72 D192 R194 V195A72-T86 WeakPolarHBondContact CB-O 3.4Å; A72-T86 PolarHBondContact O-N 3.29Å; T86-D192 HydrophobicContact CG2-CB 3.86Å; T86-R194 HydrophobicContact CG2-CB 4.48Å; T86-V195 VanDerWaalsContact CB-CG1 3.5Å; T86-V195 HydrophobicContact CG2-CG1 4.19Å
87A98.2Very high97.3Very high26 Ų2645.8 Ų45.822%0.21526%0.26CS..  trans-113.9152.5-179.900000110.6Q150 F151 L152A87-Q150 HydrophobicContact CB-CB 4.49Å; A87-F151 CarbonylContact C-O 3.58Å; A87-F151 WeakPolarHBondContact CA-O 3.41Å; A87-F151 WeakPolarHBondContact CB-O 3.18Å; A87-L152 HydrophobicContact CB-CD2 4.37Å
88L98.7Very high97.3Very high4 Ų450.4 Ų50.42%0.02128%0.28CS..BIsolated β-bridgetrans-63.5146.6162-69.9167.8000109.6D92 L96 F151 V154 Y178 D192L88-D92 HydrophobicContact CB-CB 4.06Å; L88-D92 HydrophobicContact CD2-CB 3.93Å; L88-L96 HydrophobicContact CD1-CD1 4Å; L88-L96 HydrophobicContact CD2-CD1 4.48Å; L88-F151 HydrophobicContact CB-CB 3.93Å; L88-F151 PolarHBondContact N-O 2.97Å; L88-V154 HydrophobicContact CD1-CG1 4.05Å; L88-V154 HydrophobicContact CD1-CG2 3.96Å; L88-Y178 HydrophobicContact CD2-CD1 3.64Å; L88-Y178 HydrophobicContact CD2-CE1 3.65Å; L88-D192 HydrophobicContact CD2-CB 4.24Å
89S98.5Very high97.5Very high53 Ų5348.3 Ų48.337%0.37126%0.261SS..  trans-75.3165.9173.370.10000111.5D91 D92 Y93S89-D91 PolarHBondContact O-N 3Å; S89-D92 WeakPolarHBondContact CB-OD2 3.29Å; S89-D92 PolarHBondContact N-OD2 2.92Å; S89-D92 WeakPolarHBondContact O-CB 3.31Å; S89-D92 PolarHBondContact O-N 2.85Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 VanDerWaalsContact OG-N 3.14Å; S89-D92 PolarHBondContact OG-OD2 3.28Å; S89-Y93 PolarHBondContact O-N 2.79Å
90Y98.6Very high97.7Very high45 Ų4543 Ų4318%0.17623%0.233CC..Hα-helixtrans-58.7-38.3171.1178.9-100.1000112.3D92 Y93 R94 M145 P147 F151Y90-D92 VanDerWaalsContact C-N 3.31Å; Y90-D92 PolarHBondContact O-N 2.83Å; Y90-Y93 HydrophobicContact CD2-CD1 4.35Å; Y90-Y93 HydrophobicContact CE2-CD1 4.33Å; Y90-Y93 WeakPolarHBondContact O-CB 3.42Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y90-R94 HydrophobicContact CD1-CG 4.03Å; Y90-R94 HydrophobicContact CE1-CG 3.58Å; Y90-R94 HydrophobicContact CE2-CG 4.25Å; Y90-R94 WeakPolarHBondContact O-CG 3.44Å; Y90-R94 PolarHBondContact O-N 2.68Å; Y90-R94 PolarHBondContact OH-NH1 3.19Å; Y90-M145 HydrophobicContact CE2-CB 4.1Å; Y90-M145 WeakPolarHBondContact CE2-O 3.23Å; Y90-P147 HydrophobicContact CD1-CB 4.4Å; Y90-P147 VanDerWaalsContact CD2-CA 3.48Å; Y90-P147 HydrophobicContact CD2-CB 4.24Å; Y90-P147 HydrophobicContact CE1-CG 4.5Å; Y90-P147 HydrophobicContact CE2-CB 4.43Å; Y90-P147 HydrophobicContact CE2-CG 4.3Å; Y90-P147 HydrophobicContact CG-CB 4.19Å; Y90-F151 HydrophobicContact CD2-CE2 4.06Å
91D98.6Very high97.9Very high124 Ų12449.6 Ų49.666%0.66326%0.256SS*.Hα-helixtrans-65.2-37.5177.4-70.2-18000111.5S89 R94 F95S89-D91 PolarHBondContact O-N 3Å; D91-R94 PolarHBondContact O-N 2.87Å; D91-F95 WeakPolarHBondContact O-CB 3.35Å; D91-F95 PolarHBondContact O-N 3.36Å
92D98.7Very high98Very high22 Ų2252.7 Ų52.712%0.11827%0.265CS..Hα-helixtrans-64.4-44.5173.2-61.5-51.4000111.4L88 S89 Y90 R94 F95 L96 K177 Y178L88-D92 HydrophobicContact CB-CB 4.06Å; L88-D92 HydrophobicContact CD2-CB 3.93Å; S89-D92 WeakPolarHBondContact CB-OD2 3.29Å; S89-D92 PolarHBondContact N-OD2 2.92Å; S89-D92 WeakPolarHBondContact O-CB 3.31Å; S89-D92 PolarHBondContact O-N 2.85Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 VanDerWaalsContact OG-N 3.14Å; S89-D92 PolarHBondContact OG-OD2 3.28Å; Y90-D92 VanDerWaalsContact C-N 3.31Å; Y90-D92 PolarHBondContact O-N 2.83Å; D92-R94 PolarHBondContact O-N 3.22Å; D92-F95 PolarHBondContact O-N 2.82Å; D92-L96 WeakPolarHBondContact O-CB 3.42Å; D92-L96 VanDerWaalsContact O-CG 3.26Å; D92-L96 WeakPolarHBondContact O-CG 3.42Å; D92-L96 PolarHBondContact O-N 3.02Å; D92-K177 IonicContact OD1-NZ 3.64Å; D92-Y178 HydrophobicContact CB-CE1 3.94Å; D92-Y178 WeakPolarHBondContact OD1-CE1 3.34Å; D92-Y178 PolarHBondContact OD1-OH 3.23Å
93Y98.8Very high98.1Very high3 Ų349.6 Ų49.61%0.01225%0.246CC..Hα-helixtrans-56-49.8174.4162.3-100.7000111.4S89 Y90 F95 L96 E97 F107 A109 M145 F151 V154S89-Y93 PolarHBondContact O-N 2.79Å; Y90-Y93 HydrophobicContact CD2-CD1 4.35Å; Y90-Y93 HydrophobicContact CE2-CD1 4.33Å; Y90-Y93 WeakPolarHBondContact O-CB 3.42Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y93-F95 VanDerWaalsContact C-N 3.32Å; Y93-F95 PolarHBondContact O-N 2.8Å; Y93-L96 PolarHBondContact O-N 3.48Å; Y93-E97 HydrophobicContact CE2-CB 4.44Å; Y93-E97 VanDerWaalsContact O-CB 3.28Å; Y93-E97 WeakPolarHBondContact O-CB 3.47Å; Y93-E97 PolarHBondContact O-N 3.18Å; Y93-F107 HydrophobicContact CD2-CE1 4.15Å; Y93-F107 AromaticContact CE2-CE1 3.87Å; Y93-F107 HydrophobicContact CE2-CE1 3.87Å; Y93-A109 HydrophobicContact CD2-CB 3.84Å; Y93-A109 HydrophobicContact CE2-CB 3.72Å; Y93-M145 HydrophobicContact CE1-CB 3.79Å; Y93-M145 HydrophobicContact CE1-CG 3.66Å; Y93-M145 VanDerWaalsContact OH-CG 3.3Å; Y93-M145 WeakPolarHBondContact OH-CG 3.21Å; Y93-F151 HydrophobicContact CD1-CE1 4.23Å; Y93-F151 HydrophobicContact CD1-CE2 4.07Å; Y93-F151 AromaticContact CD1-CZ 3.63Å; Y93-F151 HydrophobicContact CD1-CZ 3.63Å; Y93-F151 AromaticContact CD2-CD1 3.96Å; Y93-F151 HydrophobicContact CD2-CD1 3.96Å; Y93-F151 AromaticContact CD2-CE1 3.5Å; Y93-F151 HydrophobicContact CD2-CE1 3.5Å; Y93-F151 VanDerWaalsContact CD2-CE1 3.5Å; Y93-F151 HydrophobicContact CD2-CE2 4.44Å; Y93-F151 AromaticContact CD2-CZ 3.78Å; Y93-F151 HydrophobicContact CD2-CZ 3.78Å; Y93-F151 HydrophobicContact CE1-CZ 4.21Å; Y93-F151 AromaticContact CE2-CE1 3.98Å; Y93-F151 HydrophobicContact CE2-CE1 3.98Å; Y93-F151 HydrophobicContact CE2-CZ 4.32Å; Y93-F151 HydrophobicContact CG-CD1 4.19Å; Y93-F151 HydrophobicContact CG-CD2 4.26Å; Y93-F151 AromaticContact CG-CE1 3.65Å; Y93-F151 HydrophobicContact CG-CE1 3.65Å; Y93-F151 AromaticContact CG-CE2 3.76Å; Y93-F151 HydrophobicContact CG-CE2 3.76Å; Y93-F151 HydrophobicContact CG-CG 4.45Å; Y93-F151 AromaticContact CG-CZ 3.4Å; Y93-F151 HydrophobicContact CG-CZ 3.4Å; Y93-F151 VanDerWaalsContact CG-CZ 3.4Å; Y93-V154 HydrophobicContact CD2-CG1 4.37Å
94R98.7Very high98.3Very high89 Ų8948.7 Ų48.734%0.33625%0.248SC..Hα-helixtrans-63.9-37.8-179.8-67.3-59.9-61.4-83.7-0.7112.3Y90 D91 D92 K98 A142Y90-R94 HydrophobicContact CD1-CG 4.03Å; Y90-R94 HydrophobicContact CE1-CG 3.58Å; Y90-R94 HydrophobicContact CE2-CG 4.25Å; Y90-R94 WeakPolarHBondContact O-CG 3.44Å; Y90-R94 PolarHBondContact O-N 2.68Å; Y90-R94 PolarHBondContact OH-NH1 3.19Å; D91-R94 PolarHBondContact O-N 2.87Å; D92-R94 PolarHBondContact O-N 3.22Å; R94-K98 WeakPolarHBondContact O-CB 3.1Å; R94-K98 PolarHBondContact O-N 3.06Å; R94-A142 WeakPolarHBondContact CD-O 3.46Å
95F98.7Very high98.5Very high89 Ų8947.1 Ų47.139%0.3924%0.235SC..Hα-helixtrans-64.5-49.8175175-96.8000111.6D91 D92 Y93 K98 L99 V174 Y178D91-F95 WeakPolarHBondContact O-CB 3.35Å; D91-F95 PolarHBondContact O-N 3.36Å; D92-F95 PolarHBondContact O-N 2.82Å; Y93-F95 VanDerWaalsContact C-N 3.32Å; Y93-F95 PolarHBondContact O-N 2.8Å; F95-K98 PolarHBondContact O-N 3.2Å; F95-L99 HydrophobicContact CE1-CD2 4.32Å; F95-L99 WeakPolarHBondContact O-CB 3.47Å; F95-L99 PolarHBondContact O-N 3.04Å; F95-V174 HydrophobicContact CE1-CG1 4.32Å; F95-V174 HydrophobicContact CE1-CG2 3.96Å; F95-V174 HydrophobicContact CZ-CG2 3.91Å; F95-Y178 HydrophobicContact CD1-CE2 4.01Å; F95-Y178 HydrophobicContact CE1-CE2 4Å
96L98.8Very high98.6Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-71-37.2-176.3-68.6169.5000112.8L88 D92 Y93 L99 S100 F107 V154 V174 Y178 I190L88-L96 HydrophobicContact CD1-CD1 4Å; L88-L96 HydrophobicContact CD2-CD1 4.48Å; D92-L96 WeakPolarHBondContact O-CB 3.42Å; D92-L96 VanDerWaalsContact O-CG 3.26Å; D92-L96 WeakPolarHBondContact O-CG 3.42Å; D92-L96 PolarHBondContact O-N 3.02Å; Y93-L96 PolarHBondContact O-N 3.48Å; L96-L99 HydrophobicContact CD2-CD2 4.37Å; L96-L99 PolarHBondContact O-N 2.96Å; L96-S100 PolarHBondContact O-N 3Å; L96-F107 HydrophobicContact CB-CE2 4.1Å; L96-F107 HydrophobicContact CB-CZ 4.07Å; L96-V154 HydrophobicContact CB-CG2 4.21Å; L96-V154 HydrophobicContact CD1-CG2 3.64Å; L96-V174 HydrophobicContact CD2-CG1 4.3Å; L96-Y178 HydrophobicContact CD1-CD1 4.46Å; L96-Y178 HydrophobicContact CD1-CE1 4.31Å; L96-Y178 HydrophobicContact CD1-CE2 4.47Å; L96-Y178 HydrophobicContact CD2-CD2 3.99Å; L96-Y178 HydrophobicContact CD2-CE2 3.89Å; L96-Y178 HydrophobicContact CG-CE2 4.3Å; L96-I190 HydrophobicContact CD1-CB 4.49Å; L96-I190 HydrophobicContact CD1-CG2 3.62Å; L96-I190 HydrophobicContact CD2-CD1 4.24Å; L96-I190 HydrophobicContact CD2-CG2 3.94Å; L96-I190 HydrophobicContact CG-CG2 4.43Å
97E98.8Very high98.7Very high14 Ų1444.3 Ų44.37%0.06522%0.22CC..Hα-helixtrans-59.8-48171.6-174.4-75.8149.900110.2Y93 L99 S100 R101 F107 A142Y93-E97 HydrophobicContact CE2-CB 4.44Å; Y93-E97 VanDerWaalsContact O-CB 3.28Å; Y93-E97 WeakPolarHBondContact O-CB 3.47Å; Y93-E97 PolarHBondContact O-N 3.18Å; E97-L99 PolarHBondContact O-N 3.05Å; E97-S100 PolarHBondContact O-N 2.85Å; E97-S100 PolarHBondContact O-OG 3.12Å; E97-R101 PolarHBondContact O-N 2.97Å; E97-R101 WeakPolarHBondContact OE1-CD 3.39Å; E97-R101 IonicContact OE1-CZ 3.45Å; E97-R101 IonicContact OE1-NE 3.49Å; E97-R101 PolarHBondContact OE1-NE 3.06Å; E97-R101 IonicContact OE1-NH2 2.68Å; E97-R101 IonicContact OE2-CZ 2.72Å; E97-R101 IonicContact OE2-NE 3.47Å; E97-R101 PolarHBondContact OE2-NE 3.34Å; E97-R101 IonicContact OE2-NH2 2.67Å; E97-R101 PolarHBondContact OE2-NH2 3.48Å; E97-F107 HydrophobicContact CB-CD1 4.11Å; E97-F107 HydrophobicContact CB-CE1 3.79Å; E97-F107 HydrophobicContact CB-CZ 4.35Å; E97-F107 HydrophobicContact CG-CD1 4.11Å; E97-F107 HydrophobicContact CG-CE1 4.22Å; E97-A142 HydrophobicContact CG-CB 3.76Å
98K98.7Very high98.7Very high102 Ų10243.1 Ų43.144%0.44321%0.21SC..Hα-helixtrans-62.6-43.7177.3178.2174.1174.3-75.30111.9R94 F95 S100 R101 E102R94-K98 WeakPolarHBondContact O-CB 3.1Å; R94-K98 PolarHBondContact O-N 3.06Å; F95-K98 PolarHBondContact O-N 3.2Å; K98-S100 VanDerWaalsContact C-N 3.29Å; K98-S100 PolarHBondContact O-N 3.26Å; K98-R101 PolarHBondContact O-N 3.26Å; K98-E102 WeakPolarHBondContact CE-OE1 3.49Å; K98-E102 IonicContact NZ-OE1 3.62Å; K98-E102 PolarHBondContact NZ-OE1 2.93Å; K98-E102 WeakPolarHBondContact O-CG 3.21Å; K98-E102 PolarHBondContact O-N 3.48Å
99L98.8Very high98.7Very high9 Ų942.9 Ų42.95%0.04721%0.209CC..Hα-helixtrans-59-41.1177.3-179.865.2000111.4F95 L96 E97 R101 E102 V103 M156 I170 V174F95-L99 HydrophobicContact CE1-CD2 4.32Å; F95-L99 WeakPolarHBondContact O-CB 3.47Å; F95-L99 PolarHBondContact O-N 3.04Å; L96-L99 HydrophobicContact CD2-CD2 4.37Å; L96-L99 PolarHBondContact O-N 2.96Å; E97-L99 PolarHBondContact O-N 3.05Å; L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 3.4Å; L99-E102 WeakPolarHBondContact O-CB 3.43Å; L99-E102 PolarHBondContact O-N 2.88Å; L99-V103 HydrophobicContact CD1-CG1 3.93Å; L99-V103 HydrophobicContact CG-CG1 4.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.24Å; L99-V103 PolarHBondContact O-N 2.75Å; L99-M156 HydrophobicContact CB-CE 4.32Å; L99-M156 HydrophobicContact CD2-CE 4.03Å; L99-M156 HydrophobicContact CG-CE 3.98Å; L99-I170 HydrophobicContact CD2-CG2 4.49Å; L99-V174 HydrophobicContact CD2-CB 4.42Å; L99-V174 HydrophobicContact CD2-CG1 3.75Å; L99-V174 HydrophobicContact CD2-CG2 4.04Å
100S98.8Very high98.7Very high1 Ų140.4 Ų40.41%0.00719%0.191CC..Hα-helixtrans-56.8-41.2179.376.60000112.6L96 E97 K98 G104 S105 F107L96-S100 PolarHBondContact O-N 3Å; E97-S100 PolarHBondContact O-N 2.85Å; E97-S100 PolarHBondContact O-OG 3.12Å; K98-S100 VanDerWaalsContact C-N 3.29Å; K98-S100 PolarHBondContact O-N 3.26Å; S100-G104 PolarHBondContact O-N 2.8Å; S100-S105 PolarHBondContact O-N 3.33Å; S100-F107 VanDerWaalsContact OG-CB 3.28Å; S100-F107 WeakPolarHBondContact OG-CB 3.27Å
101R98.6Very high98.7Very high142 Ų14239.2 Ų39.254%0.53619%0.188SC..Hα-helixtrans-68.3-35175.4-67.8-175.6-76.5102.6-2.9112.5E97 K98 L99E97-R101 PolarHBondContact O-N 2.97Å; E97-R101 WeakPolarHBondContact OE1-CD 3.39Å; E97-R101 IonicContact OE1-CZ 3.45Å; E97-R101 IonicContact OE1-NE 3.49Å; E97-R101 PolarHBondContact OE1-NE 3.06Å; E97-R101 IonicContact OE1-NH2 2.68Å; E97-R101 IonicContact OE2-CZ 2.72Å; E97-R101 IonicContact OE2-NE 3.47Å; E97-R101 PolarHBondContact OE2-NE 3.34Å; E97-R101 IonicContact OE2-NH2 2.67Å; E97-R101 PolarHBondContact OE2-NH2 3.48Å; K98-R101 PolarHBondContact O-N 3.26Å; L99-R101 VanDerWaalsContact C-N 3.28Å; L99-R101 PolarHBondContact O-N 3.4Å
102E98.5Very high98.6Very high115 Ų11536.3 Ų36.354%0.53717%0.167SC..Hα-helixtrans-70.6-40.7177.9-70.1175.6173.300112.4K98 L99K98-E102 WeakPolarHBondContact CE-OE1 3.49Å; K98-E102 IonicContact NZ-OE1 3.62Å; K98-E102 PolarHBondContact NZ-OE1 2.93Å; K98-E102 WeakPolarHBondContact O-CG 3.21Å; K98-E102 PolarHBondContact O-N 3.48Å; L99-E102 WeakPolarHBondContact O-CB 3.43Å; L99-E102 PolarHBondContact O-N 2.88Å
103V98.6Very high98.5Very high5 Ų539.5 Ų39.53%0.0319%0.188CC..Hα-helixtrans-81.6-20.6178.7-59.10000112.7L99 M156 A166 R169 I170L99-V103 HydrophobicContact CD1-CG1 3.93Å; L99-V103 HydrophobicContact CG-CG1 4.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.24Å; L99-V103 PolarHBondContact O-N 2.75Å; V103-M156 HydrophobicContact CG2-CE 4.19Å; V103-M156 HydrophobicContact CG2-SD 3.82Å; V103-A166 HydrophobicContact CB-CB 4.11Å; V103-A166 HydrophobicContact CG2-CB 3.78Å; V103-R169 HydrophobicContact CB-CB 4.05Å; V103-R169 HydrophobicContact CG1-CB 3.86Å; V103-R169 WeakPolarHBondContact O-CD 3.26Å; V103-R169 PolarHBondContact O-NH1 3.35Å; V103-I170 HydrophobicContact CG1-CG1 4.14Å
104G98.5Very high98.5Very high39 Ų3940.3 Ų40.340%0.40219%0.193SC..THydrogen-bonded Turntrans90.349.3174.400000113.7S100 I162S100-G104 PolarHBondContact O-N 2.8Å; G104-I162 WeakPolarHBondContact O-CG2 3.37Å
105S98.8Very high98.5Very high8 Ų836.1 Ų36.16%0.05618%0.177CC..  trans-127.9147.4175.3-177.90000110.6S100 I157S100-S105 PolarHBondContact O-N 3.33Å; S105-I157 PolarHBondContact OG-N 3.2Å
106H98.9Very high98.5Very high36 Ų3633.6 Ų33.617%0.16717%0.165CC..EExtended strand (participates in β ladder)trans-65.2159.3163.5-62.774.4000110.9D121 M156 I157 D158H106-D121 PolarHBondContact CD2-O 3.11Å; H106-D121 VanDerWaalsContact CD2-O 3.25Å; H106-D121 PolarHBondContact NE2-O 2.92Å; H106-D121 IonicContact NE2-OD2 2.85Å; H106-M156 WeakPolarHBondContact O-CA 3.45Å; H106-I157 HydrophobicContact CB-CD1 3.83Å; H106-I157 HydrophobicContact CB-CG1 4.3Å; H106-I157 VanDerWaalsContact CB-O 3.29Å; H106-I157 WeakPolarHBondContact CB-O 3.26Å; H106-I157 PolarHBondContact N-O 3.2Å; H106-I157 PolarHBondContact O-N 2.91Å; H106-D158 IonicContact CE1-OD2 3.66Å; H106-D158 IonicContact CG-OD2 3.4Å; H106-D158 PolarHBondContact N-OD2 3.32Å; H106-D158 IonicContact ND1-OD2 3.64Å; H106-D158 PolarHBondContact ND1-OD2 3.19Å
107F98.9Very high98.5Very high5 Ų533.7 Ų33.72%0.02217%0.166CC..EExtended strand (participates in β ladder)trans-147.9144-170.9-178.6-94.8000112.5Y93 L96 E97 S100 A109 T117 N119 V154 M155 M156Y93-F107 HydrophobicContact CD2-CE1 4.15Å; Y93-F107 AromaticContact CE2-CE1 3.87Å; Y93-F107 HydrophobicContact CE2-CE1 3.87Å; L96-F107 HydrophobicContact CB-CE2 4.1Å; L96-F107 HydrophobicContact CB-CZ 4.07Å; E97-F107 HydrophobicContact CB-CD1 4.11Å; E97-F107 HydrophobicContact CB-CE1 3.79Å; E97-F107 HydrophobicContact CB-CZ 4.35Å; E97-F107 HydrophobicContact CG-CD1 4.11Å; E97-F107 HydrophobicContact CG-CE1 4.22Å; S100-F107 VanDerWaalsContact OG-CB 3.28Å; S100-F107 WeakPolarHBondContact OG-CB 3.27Å; F107-A109 HydrophobicContact CE1-CB 4.5Å; F107-T117 PolarHBondContact O-OG1 3.33Å; F107-N119 PolarHBondContact N-OD1 2.66Å; F107-N119 PolarHBondContact O-OD1 3.13Å; F107-V154 HydrophobicContact CE1-CB 4.3Å; F107-V154 HydrophobicContact CE2-CB 3.67Å; F107-V154 HydrophobicContact CE2-CG2 3.56Å; F107-V154 HydrophobicContact CZ-CB 3.39Å; F107-V154 HydrophobicContact CZ-CG1 3.83Å; F107-V154 HydrophobicContact CZ-CG2 3.57Å; F107-M155 WeakPolarHBondContact CA-O 3.12Å; F107-M155 WeakPolarHBondContact CD2-O 3.38Å; F107-M156 HydrophobicContact CD2-CG 4.04Å
108H98.8Very high98.5Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-146.2157.217062.863.2000111.8L110 L115 Y116 T126 V154 M155H108-L110 WeakPolarHBondContact ND1-CD1 3.47Å; H108-L115 HydrophobicContact CB-CD1 3.77Å; H108-L115 VanDerWaalsContact ND1-CD1 3.31Å; H108-L115 WeakPolarHBondContact ND1-CD1 3.06Å; H108-Y116 CarbonylContact C-O 3.47Å; H108-Y116 WeakPolarHBondContact CA-O 3.18Å; H108-Y116 WeakPolarHBondContact CB-O 3.45Å; H108-T126 HydrophobicContact CB-CG2 4.43Å; H108-T126 PolarHBondContact CD2-OG1 2.93Å; H108-V154 CarbonylContact O-C 3.53Å; H108-V154 WeakPolarHBondContact O-CA 3.47Å; H108-M155 PolarHBondContact CE1-SD 3.13Å; H108-M155 PolarHBondContact N-O 2.63Å; H108-M155 PolarHBondContact O-N 2.93Å
109A98.8Very high98.5Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-121.8148.4-178.200000110.5Y93 F107 L115 Y116 F151 V154Y93-A109 HydrophobicContact CD2-CB 3.84Å; Y93-A109 HydrophobicContact CE2-CB 3.72Å; F107-A109 HydrophobicContact CE1-CB 4.5Å; A109-L115 CarbonylContact O-C 3.24Å; A109-Y116 PolarHBondContact N-O 3.25Å; A109-Y116 PolarHBondContact O-N 2.88Å; A109-F151 HydrophobicContact CB-CD1 3.85Å; A109-F151 HydrophobicContact CB-CE1 3.93Å; A109-V154 HydrophobicContact CB-CB 4.43Å; A109-V154 HydrophobicContact CB-CG1 3.7Å
110L98.6Very high98.4Very high0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-125.8131.8178.4-64.182.6000110.5P46 Y69 H108 T114 L115 I135 L152 K153 M155P46-L110 HydrophobicContact CB-CD2 4.34Å; P46-L110 HydrophobicContact CG-CD2 4.31Å; Y69-L110 HydrophobicContact CD1-CB 4.43Å; Y69-L110 HydrophobicContact CE1-CB 3.95Å; Y69-L110 HydrophobicContact CE1-CD2 4.13Å; H108-L110 WeakPolarHBondContact ND1-CD1 3.47Å; L110-T114 WeakPolarHBondContact CA-O 3.46Å; L110-L115 HydrophobicContact CD1-CD1 3.64Å; L110-L115 HydrophobicContact CD2-CD1 4.31Å; L110-L115 HydrophobicContact CG-CD1 3.66Å; L110-I135 HydrophobicContact CD2-CD1 4.09Å; L110-L152 PolarHBondContact O-N 3.43Å; L110-K153 HydrophobicContact CB-CG 4.22Å; L110-K153 HydrophobicContact CD1-CG 3.99Å; L110-K153 PolarHBondContact N-O 3.48Å; L110-M155 HydrophobicContact CD1-SD 4.24Å
111D98.1Very high98.4Very high20 Ų2044.3 Ų44.311%0.10722%0.217CC..  trans-99.6-164.1159.373.419.4000110.3Y69 T113 T114 Y116 T149 Q150Y69-D111 WeakPolarHBondContact CE1-O 3.4Å; Y69-D111 PolarHBondContact OH-O 3.47Å; D111-T113 PolarHBondContact O-N 2.84Å; D111-T113 PolarHBondContact OD1-N 3.07Å; D111-T113 PolarHBondContact OD1-OG1 3.27Å; D111-T114 PolarHBondContact N-O 2.91Å; D111-T114 VanDerWaalsContact N-O 3.08Å; D111-T114 WeakPolarHBondContact OD1-CB 3.41Å; D111-T114 PolarHBondContact OD1-N 2.79Å; D111-Y116 HydrophobicContact CB-CE2 4.13Å; D111-Y116 VanDerWaalsContact OD2-CE2 3.23Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.18Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.32Å; D111-Y116 PolarHBondContact OD2-OH 3.03Å; D111-T149 HydrophobicContact CB-CG2 4.07Å; D111-Q150 WeakPolarHBondContact CA-O 3.37Å; D111-Q150 WeakPolarHBondContact CB-O 3.41Å
112R96.5Very high98.4Very high64 Ų6440.9 Ų40.924%0.24221%0.208CC..SBendtrans-63.2-25.3-178.4-174.761.4-173.778.22.7114.3Y47 Y69 L73 G80 L152Y47-R112 VanDerWaalsContact CB-NH1 3.33Å; Y69-R112 WeakPolarHBondContact OH-CA 3.21Å; Y69-R112 PolarHBondContact OH-O 3.02Å; L73-R112 VanDerWaalsContact CD2-CD 3.42Å; G80-R112 PolarHBondContact O-NH2 3.33Å; G80-R112 VanDerWaalsContact O-NH2 3.12Å; R112-L152 HydrophobicContact CB-CD1 4.25Å
113T96.5Very high98.4Very high89 Ų8935.9 Ų35.955%0.54619%0.186SC..SBendtrans-131.9-14.3-169.357.20000114.7D111 P136D111-T113 PolarHBondContact O-N 2.84Å; D111-T113 PolarHBondContact OD1-N 3.07Å; D111-T113 PolarHBondContact OD1-OG1 3.27Å; T113-P136 WeakPolarHBondContact O-CD 3.42Å
114T98.3Very high98.4Very high20 Ų2043.4 Ų43.412%0.12322%0.215CC..  trans-141.9141.3-164.4-45.20000111.5L110 D111 Y116 V138L110-T114 WeakPolarHBondContact CA-O 3.46Å; D111-T114 PolarHBondContact N-O 2.91Å; D111-T114 VanDerWaalsContact N-O 3.08Å; D111-T114 WeakPolarHBondContact OD1-CB 3.41Å; D111-T114 PolarHBondContact OD1-N 2.79Å; T114-Y116 VanDerWaalsContact CB-CZ 3.42Å; T114-Y116 WeakPolarHBondContact CB-OH 3.2Å; T114-Y116 HydrophobicContact CG2-CD1 4.09Å; T114-Y116 HydrophobicContact CG2-CD2 4.35Å; T114-Y116 HydrophobicContact CG2-CE1 3.55Å; T114-Y116 HydrophobicContact CG2-CE2 3.86Å; T114-Y116 HydrophobicContact CG2-CG 4.45Å; T114-Y116 VanDerWaalsContact CG2-CZ 3.43Å; T114-Y116 PolarHBondContact OG1-OH 2.84Å; T114-V138 HydrophobicContact CG2-CB 4.01Å; T114-V138 HydrophobicContact CG2-CG2 3.48Å; T114-V138 VanDerWaalsContact CG2-CG2 3.48Å
115L98.7Very high98.4Very high0 Ų043.2 Ų43.20%020%0.203CC..EExtended strand (participates in β ladder)trans-99.8125.9169.3173.667.7000108.9H108 A109 L110 T126 E129 I135 P136 L137 V138H108-L115 HydrophobicContact CB-CD1 3.77Å; H108-L115 VanDerWaalsContact ND1-CD1 3.31Å; H108-L115 WeakPolarHBondContact ND1-CD1 3.06Å; A109-L115 CarbonylContact O-C 3.24Å; L110-L115 HydrophobicContact CD1-CD1 3.64Å; L110-L115 HydrophobicContact CD2-CD1 4.31Å; L110-L115 HydrophobicContact CG-CD1 3.66Å; L115-T126 HydrophobicContact CD2-CG2 4.02Å; L115-E129 HydrophobicContact CD2-CB 4.24Å; L115-E129 HydrophobicContact CD2-CG 4.12Å; L115-I135 HydrophobicContact CB-CD1 4.37Å; L115-I135 HydrophobicContact CB-CG1 4.31Å; L115-I135 HydrophobicContact CB-CG2 3.92Å; L115-I135 HydrophobicContact CD2-CG2 4.27Å; L115-P136 PolarHBondContact N-O 2.92Å; L115-L137 HydrophobicContact CB-CD1 4.47Å; L115-L137 HydrophobicContact CD2-CD1 3.89Å; L115-L137 HydrophobicContact CG-CD1 3.87Å; L115-L137 CarbonylContact O-C 3.59Å; L115-L137 WeakPolarHBondContact O-CA 2.84Å; L115-V138 PolarHBondContact O-N 2.92Å
116Y98.8Very high98.4Very high36 Ų3642.8 Ų42.814%0.14120%0.2CC..EExtended strand (participates in β ladder)trans-115.3138.5-178.4-54.5-88.4000111.1H108 A109 D111 T114 V138 M145 T149H108-Y116 CarbonylContact C-O 3.47Å; H108-Y116 WeakPolarHBondContact CA-O 3.18Å; H108-Y116 WeakPolarHBondContact CB-O 3.45Å; A109-Y116 PolarHBondContact N-O 3.25Å; A109-Y116 PolarHBondContact O-N 2.88Å; D111-Y116 HydrophobicContact CB-CE2 4.13Å; D111-Y116 VanDerWaalsContact OD2-CE2 3.23Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.18Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.32Å; D111-Y116 PolarHBondContact OD2-OH 3.03Å; T114-Y116 VanDerWaalsContact CB-CZ 3.42Å; T114-Y116 WeakPolarHBondContact CB-OH 3.2Å; T114-Y116 HydrophobicContact CG2-CD1 4.09Å; T114-Y116 HydrophobicContact CG2-CD2 4.35Å; T114-Y116 HydrophobicContact CG2-CE1 3.55Å; T114-Y116 HydrophobicContact CG2-CE2 3.86Å; T114-Y116 HydrophobicContact CG2-CG 4.45Å; T114-Y116 VanDerWaalsContact CG2-CZ 3.43Å; T114-Y116 PolarHBondContact OG1-OH 2.84Å; Y116-V138 CarbonylContact C-O 3.6Å; Y116-V138 VanDerWaalsContact CA-O 3.3Å; Y116-V138 WeakPolarHBondContact CA-O 3.48Å; Y116-V138 HydrophobicContact CD1-CB 3.82Å; Y116-V138 HydrophobicContact CD1-CG1 3.9Å; Y116-V138 HydrophobicContact CE1-CB 4.13Å; Y116-V138 HydrophobicContact CE1-CG1 4.18Å; Y116-M145 HydrophobicContact CD1-CE 3.89Å; Y116-M145 HydrophobicContact CD1-SD 3.87Å; Y116-M145 HydrophobicContact CD2-CE 4Å; Y116-M145 HydrophobicContact CE1-CE 4.2Å; Y116-M145 HydrophobicContact CE1-SD 4.47Å; Y116-M145 HydrophobicContact CE2-CE 4.28Å; Y116-M145 HydrophobicContact CG-CE 3.78Å; Y116-M145 HydrophobicContact CG-SD 4.09Å; Y116-T149 HydrophobicContact CE2-CG2 4.31Å
117T98.9Very high98.3Very high2 Ų244.8 Ų44.81%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-136.4145.7167.1-174.50000111.4F107 N119 I122 T126 L137 V138 F139 C140F107-T117 PolarHBondContact O-OG1 3.33Å; T117-N119 PolarHBondContact OG1-N 2.59Å; T117-N119 VanDerWaalsContact OG1-N 3.16Å; T117-N119 PolarHBondContact OG1-OD1 3.02Å; T117-I122 HydrophobicContact CG2-CG1 4.28Å; T117-T126 HydrophobicContact CG2-CG2 4.2Å; T117-L137 HydrophobicContact CG2-CD1 4.11Å; T117-V138 PolarHBondContact N-O 3.18Å; T117-F139 WeakPolarHBondContact O-CA 3.42Å; T117-C140 PolarHBondContact O-N 2.82Å
118A98.7Very high98.2Very high23 Ų2346.6 Ų46.619%0.1922%0.223CC..  trans-96.2-4.8171.400000112.5F139 C140 A142A118-F139 WeakPolarHBondContact O-CE2 3.42Å; A118-C140 WeakPolarHBondContact CA-O 3.24Å; A118-C140 WeakPolarHBondContact CB-O 3.29Å; A118-A142 HydrophobicContact CB-CB 4.41Å
119N98.7Very high98.1Very high25 Ų2547.2 Ų47.213%0.13423%0.226CC..  trans-73.7126.9178.4-62115.1000110.4F107 T117F107-N119 PolarHBondContact N-OD1 2.66Å; F107-N119 PolarHBondContact O-OD1 3.13Å; T117-N119 PolarHBondContact OG1-N 2.59Å; T117-N119 VanDerWaalsContact OG1-N 3.16Å; T117-N119 PolarHBondContact OG1-OD1 3.02Å
120R97.9Very high98.1Very high190 Ų19048.5 Ų48.572%0.71724%0.235SC*.SBendtrans-77.7-39.4177.2-71.5178.8173.7-86.8-7.7111I122 F139 E141R120-I122 VanDerWaalsContact C-N 3.32Å; R120-I122 PolarHBondContact O-N 3.14Å; R120-F139 HydrophobicContact CG-CE2 3.82Å; R120-F139 HydrophobicContact CG-CZ 3.92Å; R120-E141 IonicContact NH2-OE1 2.84Å; R120-E141 PolarHBondContact NH2-OE1 3.28Å
121D98Very high98Very high111 Ų11156.3 Ų56.359%0.59427%0.269SS*.SBendtrans-78.977.916350-21.7000109.1H106 S123H106-D121 PolarHBondContact CD2-O 3.11Å; H106-D121 VanDerWaalsContact CD2-O 3.25Å; H106-D121 PolarHBondContact NE2-O 2.92Å; H106-D121 IonicContact NE2-OD2 2.85Å; D121-S123 PolarHBondContact O-N 3.25Å; D121-S123 VanDerWaalsContact O-N 3.08Å
122I98.5Very high97.6Very high70 Ų7056.8 Ų56.836%0.35927%0.273SS..  trans-58.4119-178.4-59.9176.3000109.3T117 R120 T126 V127 L137T117-I122 HydrophobicContact CG2-CG1 4.28Å; R120-I122 VanDerWaalsContact C-N 3.32Å; R120-I122 PolarHBondContact O-N 3.14Å; I122-T126 HydrophobicContact CG2-CG2 3.97Å; I122-V127 HydrophobicContact CG2-CG2 3.9Å; I122-L137 HydrophobicContact CD1-CD2 4.41Å; I122-L137 HydrophobicContact CG2-CD2 4.28Å
123S98.7Very high97.4Very high10 Ų1053.8 Ų53.87%0.0726%0.261CS..  trans-58.3144.5177.5176.90000111.8D121 Y125 T126 V127 I157D121-S123 PolarHBondContact O-N 3.25Å; D121-S123 VanDerWaalsContact O-N 3.08Å; S123-Y125 PolarHBondContact O-N 3.29Å; S123-Y125 VanDerWaalsContact O-N 3.14Å; S123-Y125 PolarHBondContact OG-N 3.48Å; S123-T126 WeakPolarHBondContact O-CB 3.46Å; S123-T126 PolarHBondContact O-N 3.49Å; S123-V127 PolarHBondContact O-N 3.38Å; S123-I157 WeakPolarHBondContact OG-CD1 3.46Å
124Y98.4Very high97.4Very high163 Ų16353.5 Ų53.564%0.63926%0.26SS*.Hα-helixtrans-48.7-39.1169.4172.7-95.9000111.9T126 V127 H128Y124-T126 PolarHBondContact O-N 2.86Å; Y124-V127 WeakPolarHBondContact O-CB 3.41Å; Y124-V127 PolarHBondContact O-N 3Å; Y124-H128 WeakPolarHBondContact O-CB 3.28Å; Y124-H128 PolarHBondContact O-N 3.45Å
125Y98.4Very high97.3Very high35 Ų3552.7 Ų52.714%0.13725%0.254CS..Hα-helixtrans-75-24.1-176.6-60.2-73.5000113.4S123 E129 D158 E159 Y186S123-Y125 PolarHBondContact O-N 3.29Å; S123-Y125 VanDerWaalsContact O-N 3.14Å; S123-Y125 PolarHBondContact OG-N 3.48Å; Y125-E129 PolarHBondContact O-N 3.28Å; Y125-D158 VanDerWaalsContact CD2-C 3.49Å; Y125-D158 VanDerWaalsContact CE2-O 3.26Å; Y125-D158 WeakPolarHBondContact CE2-O 3.12Å; Y125-E159 HydrophobicContact CE2-CG 4.31Å; Y125-Y186 HydrophobicContact CD1-CD1 4.22Å; Y125-Y186 AromaticContact CD1-CD2 3.31Å; Y125-Y186 HydrophobicContact CD1-CD2 3.31Å; Y125-Y186 AromaticContact CD1-CE2 3.95Å; Y125-Y186 HydrophobicContact CD1-CE2 3.95Å; Y125-Y186 AromaticContact CD1-CG 3.47Å; Y125-Y186 HydrophobicContact CD1-CG 3.47Å; Y125-Y186 VanDerWaalsContact CD1-CG 3.47Å; Y125-Y186 VanDerWaalsContact CE1-CB 3.41Å; Y125-Y186 AromaticContact CE1-CD1 3.63Å; Y125-Y186 HydrophobicContact CE1-CD1 3.63Å; Y125-Y186 AromaticContact CE1-CD2 3.62Å; Y125-Y186 HydrophobicContact CE1-CD2 3.62Å; Y125-Y186 HydrophobicContact CE1-CE1 4.28Å; Y125-Y186 HydrophobicContact CE1-CE2 4.27Å; Y125-Y186 AromaticContact CE1-CG 3.25Å; Y125-Y186 HydrophobicContact CE1-CG 3.25Å; Y125-Y186 HydrophobicContact CG-CD2 4.13Å; Y125-Y186 HydrophobicContact CG-CG 4.32Å; Y125-Y186 AromaticContact CZ-CG 3.98Å
126T98.8Very high97.3Very high0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-69.6-42.5169.1-55.90000110.5H108 L115 T117 I122 S123 Y124 H128 E129 S130 L137 I157H108-T126 HydrophobicContact CB-CG2 4.43Å; H108-T126 PolarHBondContact CD2-OG1 2.93Å; L115-T126 HydrophobicContact CD2-CG2 4.02Å; T117-T126 HydrophobicContact CG2-CG2 4.2Å; I122-T126 HydrophobicContact CG2-CG2 3.97Å; S123-T126 WeakPolarHBondContact O-CB 3.46Å; S123-T126 PolarHBondContact O-N 3.49Å; Y124-T126 PolarHBondContact O-N 2.86Å; T126-H128 VanDerWaalsContact C-N 3.34Å; T126-E129 PolarHBondContact O-N 2.84Å; T126-S130 PolarHBondContact O-N 3.2Å; T126-S130 VanDerWaalsContact O-N 3.07Å; T126-L137 HydrophobicContact CG2-CD1 3.58Å; T126-L137 HydrophobicContact CG2-CD2 4.16Å; T126-I157 VanDerWaalsContact OG1-CD1 3.23Å; T126-I157 WeakPolarHBondContact OG1-CD1 3.36Å
127V98.4Very high97.3Very high78 Ų7857.5 Ų57.547%0.47329%0.286SS..Hα-helixtrans-63.7-43.5175.3179.60000110.2I122 S123 Y124 S130 F131I122-V127 HydrophobicContact CG2-CG2 3.9Å; S123-V127 PolarHBondContact O-N 3.38Å; Y124-V127 WeakPolarHBondContact O-CB 3.41Å; Y124-V127 PolarHBondContact O-N 3Å; V127-S130 PolarHBondContact O-N 3.06Å; V127-F131 VanDerWaalsContact O-CB 3.32Å; V127-F131 WeakPolarHBondContact O-CB 3.41Å; V127-F131 PolarHBondContact O-N 2.88Å
128H96.9Very high97.3Very high43 Ų4360.1 Ų60.120%0.19930%0.303CS..Hα-helixtrans-56.9-50.5175.5177.6-78.9000111.8Y124 T126 S130 F131 V132Y124-H128 WeakPolarHBondContact O-CB 3.28Å; Y124-H128 PolarHBondContact O-N 3.45Å; T126-H128 VanDerWaalsContact C-N 3.34Å; H128-S130 PolarHBondContact O-N 3.31Å; H128-F131 PolarHBondContact O-N 2.96Å; H128-V132 WeakPolarHBondContact O-CB 3.49Å; H128-V132 WeakPolarHBondContact O-CG2 3.25Å; H128-V132 PolarHBondContact O-N 3.38Å
129E96.6Very high97.3Very high13 Ų1362.9 Ų62.96%0.06131%0.311CS..Hα-helixtrans-58.7-48.2178.2-179.864.7-17600111.5L115 Y125 T126 F131 A133 F187L115-E129 HydrophobicContact CD2-CB 4.24Å; L115-E129 HydrophobicContact CD2-CG 4.12Å; Y125-E129 PolarHBondContact O-N 3.28Å; T126-E129 PolarHBondContact O-N 2.84Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 3.46Å; E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 2.7Å; E129-F187 HydrophobicContact CB-CZ 4.21Å
130S97.6Very high97.3Very high26 Ų2662.8 Ų62.818%0.18231%0.311CS..Hα-helixtrans-58.5-44.3177.6-175.90000112.4T126 V127 H128 T134 I135T126-S130 PolarHBondContact O-N 3.2Å; T126-S130 VanDerWaalsContact O-N 3.07Å; V127-S130 PolarHBondContact O-N 3.06Å; H128-S130 PolarHBondContact O-N 3.31Å; S130-T134 CarbonylContact O-C 3.54Å; S130-T134 VanDerWaalsContact O-CA 3.24Å; S130-T134 WeakPolarHBondContact O-CA 3.28Å; S130-T134 PolarHBondContact O-N 3.06Å; S130-I135 PolarHBondContact O-N 2.9Å; S130-I135 VanDerWaalsContact O-N 3.12Å; S130-I135 PolarHBondContact OG-O 2.96Å
131F96Very high97.3Very high165 Ų16555.6 Ų55.672%0.72429%0.286SS*.Hα-helixtrans-71.5-50.5-176.9-175.1-99.4000112.4V127 H128 E129 T134V127-F131 VanDerWaalsContact O-CB 3.32Å; V127-F131 WeakPolarHBondContact O-CB 3.41Å; V127-F131 PolarHBondContact O-N 2.88Å; H128-F131 PolarHBondContact O-N 2.96Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 3.46Å; F131-T134 PolarHBondContact O-N 2.92Å
132V91.3Very high97.3Very high30 Ų3050.6 Ų50.618%0.18226%0.26CS..Hα-helixtrans-75.1-38.3-174.4175.10000111.9H128 T134H128-V132 WeakPolarHBondContact O-CB 3.49Å; H128-V132 WeakPolarHBondContact O-CG2 3.25Å; H128-V132 PolarHBondContact O-N 3.38Å; V132-T134 VanDerWaalsContact C-N 3.32Å
133A92.5Very high97.3Very high1 Ų153 Ų531%0.00827%0.269CS..THydrogen-bonded Turntrans-88.8-0.5177.100000113P46 A48 G49 E129 I135P46-A133 HydrophobicContact CG-CB 3.73Å; A48-A133 CarbonylContact C-O 3.58Å; A48-A133 VanDerWaalsContact C-O 3.24Å; A48-A133 WeakPolarHBondContact CB-O 3.38Å; G49-A133 VanDerWaalsContact CA-O 3.27Å; G49-A133 WeakPolarHBondContact CA-O 3.48Å; G49-A133 PolarHBondContact N-O 3.12Å; E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 2.7Å; A133-I135 HydrophobicContact CB-CG2 4.33Å; A133-I135 PolarHBondContact O-N 3.07Å
134T95.4Very high97.3Very high83 Ų8358.5 Ų58.551%0.50929%0.292SS..THydrogen-bonded Turntrans52.937179.359.20000113.6A48 S130 F131 V132A48-T134 PolarHBondContact O-OG1 3.06Å; S130-T134 CarbonylContact O-C 3.54Å; S130-T134 VanDerWaalsContact O-CA 3.24Å; S130-T134 WeakPolarHBondContact O-CA 3.28Å; S130-T134 PolarHBondContact O-N 3.06Å; F131-T134 PolarHBondContact O-N 2.92Å; V132-T134 VanDerWaalsContact C-N 3.32Å
135I97.3Very high97.3Very high2 Ų251.1 Ų51.11%0.0126%0.263CS..PPolyproline II helixtrans-102.1129.1-179.6-170.3168.6000110.6P46 A48 L110 L115 S130 A133 L137P46-I135 HydrophobicContact CB-CD1 3.86Å; P46-I135 HydrophobicContact CG-CB 4.25Å; P46-I135 HydrophobicContact CG-CD1 3.98Å; P46-I135 HydrophobicContact CG-CG2 4.34Å; A48-I135 HydrophobicContact CB-CB 4.27Å; L110-I135 HydrophobicContact CD2-CD1 4.09Å; L115-I135 HydrophobicContact CB-CD1 4.37Å; L115-I135 HydrophobicContact CB-CG1 4.31Å; L115-I135 HydrophobicContact CB-CG2 3.92Å; L115-I135 HydrophobicContact CD2-CG2 4.27Å; S130-I135 PolarHBondContact O-N 2.9Å; S130-I135 VanDerWaalsContact O-N 3.12Å; S130-I135 PolarHBondContact OG-O 2.96Å; A133-I135 HydrophobicContact CB-CG2 4.33Å; A133-I135 PolarHBondContact O-N 3.07Å; I135-L137 PolarHBondContact O-N 2.7Å
136P98.1Very high97.3Very high79 Ų7953.5 Ų53.551%0.51328%0.279SS..PPolyproline II helixtrans-54.8132.9176.7-27.834.4000113.1T113 L115T113-P136 WeakPolarHBondContact O-CD 3.42Å; L115-P136 PolarHBondContact N-O 2.92Å
137L98.6Very high97.2Very high58 Ų5857.5 Ų57.530%0.30430%0.304SS..EExtended strand (participates in β ladder)trans-99.3128.8178.4176.260.6000111.5L115 T117 I122 T126 I135L115-L137 HydrophobicContact CB-CD1 4.47Å; L115-L137 HydrophobicContact CD2-CD1 3.89Å; L115-L137 HydrophobicContact CG-CD1 3.87Å; L115-L137 CarbonylContact O-C 3.59Å; L115-L137 WeakPolarHBondContact O-CA 2.84Å; T117-L137 HydrophobicContact CG2-CD1 4.11Å; I122-L137 HydrophobicContact CD1-CD2 4.41Å; I122-L137 HydrophobicContact CG2-CD2 4.28Å; T126-L137 HydrophobicContact CG2-CD1 3.58Å; T126-L137 HydrophobicContact CG2-CD2 4.16Å; I135-L137 PolarHBondContact O-N 2.7Å
138V98.7Very high97.2Very high58 Ų5860.1 Ų60.135%0.35232%0.316SS..EExtended strand (participates in β ladder)trans-122.8129.2177.1173.90000110.1T114 L115 Y116 T117 C140T114-V138 HydrophobicContact CG2-CB 4.01Å; T114-V138 HydrophobicContact CG2-CG2 3.48Å; T114-V138 VanDerWaalsContact CG2-CG2 3.48Å; L115-V138 PolarHBondContact O-N 2.92Å; Y116-V138 CarbonylContact C-O 3.6Å; Y116-V138 VanDerWaalsContact CA-O 3.3Å; Y116-V138 WeakPolarHBondContact CA-O 3.48Å; Y116-V138 HydrophobicContact CD1-CB 3.82Å; Y116-V138 HydrophobicContact CD1-CG1 3.9Å; Y116-V138 HydrophobicContact CE1-CB 4.13Å; Y116-V138 HydrophobicContact CE1-CG1 4.18Å; T117-V138 PolarHBondContact N-O 3.18Å; V138-C140 HydrophobicContact CG1-CB 4.47Å
139F98.7Very high97.3Very high81 Ų8159 Ų5936%0.35531%0.312SS..EExtended strand (participates in β ladder)trans-83.4128.4164.2173-92.1000109.6T117 A118 R120 E141T117-F139 WeakPolarHBondContact O-CA 3.42Å; A118-F139 WeakPolarHBondContact O-CE2 3.42Å; R120-F139 HydrophobicContact CG-CE2 3.82Å; R120-F139 HydrophobicContact CG-CZ 3.92Å; F139-E141 HydrophobicContact CE1-CG 4.19Å; F139-E141 HydrophobicContact CZ-CG 4.04Å
140C98.5Very high97.4Very high22 Ų2263.7 Ų63.715%0.14933%0.334CS..  trans-150.4125.6175-171.90000109.7T117 A118 V138 M145T117-C140 PolarHBondContact O-N 2.82Å; A118-C140 WeakPolarHBondContact CA-O 3.24Å; A118-C140 WeakPolarHBondContact CB-O 3.29Å; V138-C140 HydrophobicContact CG1-CB 4.47Å; C140-M145 HydrophobicContact CB-CG 4.42Å; C140-M145 HydrophobicContact CB-SD 3.65Å
141E98.4Very high97.4Very high40 Ų4062.5 Ų62.519%0.18733%0.326CS..  trans-61.5143.3173.4-61.3100.7148.800111R120 F139 E143 K144 M145R120-E141 IonicContact NH2-OE1 2.84Å; R120-E141 PolarHBondContact NH2-OE1 3.28Å; F139-E141 HydrophobicContact CE1-CG 4.19Å; F139-E141 HydrophobicContact CZ-CG 4.04Å; E141-E143 WeakPolarHBondContact CB-OE1 3.37Å; E141-E143 PolarHBondContact O-N 3.02Å; E141-E143 VanDerWaalsContact O-N 3.13Å; E141-K144 HydrophobicContact CB-CG 4.39Å; E141-K144 WeakPolarHBondContact O-CA 3.47Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 IonicContact OE1-NZ 3.8Å; E141-K144 PolarHBondContact OE1-NZ 3.47Å; E141-K144 VanDerWaalsContact OE1-NZ 3.09Å; E141-K144 WeakPolarHBondContact OE2-CD 3.32Å; E141-K144 WeakPolarHBondContact OE2-CE 3.39Å; E141-K144 IonicContact OE2-NZ 2.57Å; E141-K144 PolarHBondContact OE2-NZ 2.92Å; E141-M145 PolarHBondContact O-N 3.2Å
142A98.2Very high97.5Very high5 Ų554.7 Ų54.74%0.04129%0.291CS..G310 helixtrans-58.5-34.3-169.900000113.5R94 E97 A118 K144R94-A142 WeakPolarHBondContact CD-O 3.46Å; E97-A142 HydrophobicContact CG-CB 3.76Å; A118-A142 HydrophobicContact CB-CB 4.41Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3.33Å
143E97.4Very high97.8Very high120 Ų12053.3 Ų53.356%0.56128%0.283SS*.G310 helixtrans-74.5-14.2176.170.7-80.4-172.900114.7E141E141-E143 WeakPolarHBondContact CB-OE1 3.37Å; E141-E143 PolarHBondContact O-N 3.02Å; E141-E143 VanDerWaalsContact O-N 3.13Å
144K98.4Very high98.1Very high127 Ų12753.2 Ų53.255%0.55228%0.283SS*.G310 helixtrans-101.7-5.4178.4-60.4-171.7-163.4153.70113.6E141 A142 D146E141-K144 HydrophobicContact CB-CG 4.39Å; E141-K144 WeakPolarHBondContact O-CA 3.47Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 IonicContact OE1-NZ 3.8Å; E141-K144 PolarHBondContact OE1-NZ 3.47Å; E141-K144 VanDerWaalsContact OE1-NZ 3.09Å; E141-K144 WeakPolarHBondContact OE2-CD 3.32Å; E141-K144 WeakPolarHBondContact OE2-CE 3.39Å; E141-K144 IonicContact OE2-NZ 2.57Å; E141-K144 PolarHBondContact OE2-NZ 2.92Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3.33Å; K144-D146 PolarHBondContact O-N 3.46Å
145M98.5Very high98.3Very high7 Ų749.3 Ų49.33%0.03426%0.258CS..SBendtrans-59.4134.5173.8-81.3-59.5-6700111.1Y90 Y93 Y116 C140 E141 P147 T149 F151Y90-M145 HydrophobicContact CE2-CB 4.1Å; Y90-M145 WeakPolarHBondContact CE2-O 3.23Å; Y93-M145 HydrophobicContact CE1-CB 3.79Å; Y93-M145 HydrophobicContact CE1-CG 3.66Å; Y93-M145 VanDerWaalsContact OH-CG 3.3Å; Y93-M145 WeakPolarHBondContact OH-CG 3.21Å; Y116-M145 HydrophobicContact CD1-CE 3.89Å; Y116-M145 HydrophobicContact CD1-SD 3.87Å; Y116-M145 HydrophobicContact CD2-CE 4Å; Y116-M145 HydrophobicContact CE1-CE 4.2Å; Y116-M145 HydrophobicContact CE1-SD 4.47Å; Y116-M145 HydrophobicContact CE2-CE 4.28Å; Y116-M145 HydrophobicContact CG-CE 3.78Å; Y116-M145 HydrophobicContact CG-SD 4.09Å; C140-M145 HydrophobicContact CB-CG 4.42Å; C140-M145 HydrophobicContact CB-SD 3.65Å; E141-M145 PolarHBondContact O-N 3.2Å; M145-P147 VanDerWaalsContact O-CD 3.31Å; M145-P147 WeakPolarHBondContact O-CD 3.36Å; M145-T149 HydrophobicContact CE-CG2 3.95Å; M145-F151 HydrophobicContact CE-CE1 3.72Å; M145-F151 HydrophobicContact CE-CZ 3.77Å
146D98.4Very high98.4Very high86 Ų8649.2 Ų49.246%0.4626%0.258SS..  trans-61.6121.3177.4-179.4-5.2000109.7K144 N148 T149K144-D146 PolarHBondContact O-N 3.46Å; D146-N148 PolarHBondContact O-N 3.42Å; D146-N148 VanDerWaalsContact O-N 3.07Å; D146-N148 WeakPolarHBondContact OD1-CB 3.24Å; D146-N148 PolarHBondContact OD1-N 2.94Å; D146-N148 PolarHBondContact OD1-ND2 2.8Å; D146-T149 VanDerWaalsContact O-CB 3.26Å; D146-T149 WeakPolarHBondContact O-CB 3.42Å; D146-T149 PolarHBondContact O-N 3.12Å; D146-T149 PolarHBondContact O-OG1 3.24Å
147P98.1Very high98.4Very high83 Ų8345.4 Ų45.454%0.53923%0.233SC..THydrogen-bonded Turntrans-57.1-18.7175.7-25.936.2000115.4Y90 M145 T149Y90-P147 HydrophobicContact CD1-CB 4.4Å; Y90-P147 VanDerWaalsContact CD2-CA 3.48Å; Y90-P147 HydrophobicContact CD2-CB 4.24Å; Y90-P147 HydrophobicContact CE1-CG 4.5Å; Y90-P147 HydrophobicContact CE2-CB 4.43Å; Y90-P147 HydrophobicContact CE2-CG 4.3Å; Y90-P147 HydrophobicContact CG-CB 4.19Å; M145-P147 VanDerWaalsContact O-CD 3.31Å; M145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-T149 VanDerWaalsContact C-N 3.34Å
148N98.2Very high98.4Very high134 Ų13443.2 Ų43.272%0.71722%0.222SC*.THydrogen-bonded Turntrans-87.5-0.9176.4-56-67.2000113.6D146 Q150D146-N148 PolarHBondContact O-N 3.42Å; D146-N148 VanDerWaalsContact O-N 3.07Å; D146-N148 WeakPolarHBondContact OD1-CB 3.24Å; D146-N148 PolarHBondContact OD1-N 2.94Å; D146-N148 PolarHBondContact OD1-ND2 2.8Å; N148-Q150 PolarHBondContact O-N 3.25Å
149T98.3Very high98.4Very high20 Ų2046 Ų4612%0.12323%0.231CC..  trans-60128.3177.1-54.20000110.4D111 Y116 M145 D146 P147 F151D111-T149 HydrophobicContact CB-CG2 4.07Å; Y116-T149 HydrophobicContact CE2-CG2 4.31Å; M145-T149 HydrophobicContact CE-CG2 3.95Å; D146-T149 VanDerWaalsContact O-CB 3.26Å; D146-T149 WeakPolarHBondContact O-CB 3.42Å; D146-T149 PolarHBondContact O-N 3.12Å; D146-T149 PolarHBondContact O-OG1 3.24Å; P147-T149 VanDerWaalsContact C-N 3.34Å; T149-F151 HydrophobicContact CG2-CD1 3.98Å; T149-F151 HydrophobicContact CG2-CD2 4.46Å; T149-F151 HydrophobicContact CG2-CE1 3.62Å; T149-F151 HydrophobicContact CG2-CE2 4.11Å; T149-F151 HydrophobicContact CG2-CG 4.4Å; T149-F151 HydrophobicContact CG2-CZ 3.69Å; T149-F151 WeakPolarHBondContact O-CD2 3.36Å; T149-F151 PolarHBondContact O-N 3.1Å
150Q98.1Very high98.4Very high111 Ų11144.3 Ų44.352%0.51923%0.228SC..  trans-89.593.8176.8-65-172.1-33.400110.4Q85 A87 D111 N148 L152Q85-Q150 VanDerWaalsContact NE2-CD 3.31Å; A87-Q150 HydrophobicContact CB-CB 4.49Å; D111-Q150 WeakPolarHBondContact CA-O 3.37Å; D111-Q150 WeakPolarHBondContact CB-O 3.41Å; N148-Q150 PolarHBondContact O-N 3.25Å; Q150-L152 PolarHBondContact O-N 3.42Å
151F98.5Very high98.4Very high0 Ų046.4 Ų46.40%025%0.247CC..BIsolated β-bridgetrans-75.293.8-177.7-62.9-73.3000111.9A87 L88 Y90 Y93 A109 M145 T149A87-F151 CarbonylContact C-O 3.58Å; A87-F151 WeakPolarHBondContact CA-O 3.41Å; A87-F151 WeakPolarHBondContact CB-O 3.18Å; L88-F151 HydrophobicContact CB-CB 3.93Å; L88-F151 PolarHBondContact N-O 2.97Å; Y90-F151 HydrophobicContact CD2-CE2 4.06Å; Y93-F151 HydrophobicContact CD1-CE1 4.23Å; Y93-F151 HydrophobicContact CD1-CE2 4.07Å; Y93-F151 AromaticContact CD1-CZ 3.63Å; Y93-F151 HydrophobicContact CD1-CZ 3.63Å; Y93-F151 AromaticContact CD2-CD1 3.96Å; Y93-F151 HydrophobicContact CD2-CD1 3.96Å; Y93-F151 AromaticContact CD2-CE1 3.5Å; Y93-F151 HydrophobicContact CD2-CE1 3.5Å; Y93-F151 VanDerWaalsContact CD2-CE1 3.5Å; Y93-F151 HydrophobicContact CD2-CE2 4.44Å; Y93-F151 AromaticContact CD2-CZ 3.78Å; Y93-F151 HydrophobicContact CD2-CZ 3.78Å; Y93-F151 HydrophobicContact CE1-CZ 4.21Å; Y93-F151 AromaticContact CE2-CE1 3.98Å; Y93-F151 HydrophobicContact CE2-CE1 3.98Å; Y93-F151 HydrophobicContact CE2-CZ 4.32Å; Y93-F151 HydrophobicContact CG-CD1 4.19Å; Y93-F151 HydrophobicContact CG-CD2 4.26Å; Y93-F151 AromaticContact CG-CE1 3.65Å; Y93-F151 HydrophobicContact CG-CE1 3.65Å; Y93-F151 AromaticContact CG-CE2 3.76Å; Y93-F151 HydrophobicContact CG-CE2 3.76Å; Y93-F151 HydrophobicContact CG-CG 4.45Å; Y93-F151 AromaticContact CG-CZ 3.4Å; Y93-F151 HydrophobicContact CG-CZ 3.4Å; Y93-F151 VanDerWaalsContact CG-CZ 3.4Å; A109-F151 HydrophobicContact CB-CD1 3.85Å; A109-F151 HydrophobicContact CB-CE1 3.93Å; M145-F151 HydrophobicContact CE-CE1 3.72Å; M145-F151 HydrophobicContact CE-CZ 3.77Å; T149-F151 HydrophobicContact CG2-CD1 3.98Å; T149-F151 HydrophobicContact CG2-CD2 4.46Å; T149-F151 HydrophobicContact CG2-CE1 3.62Å; T149-F151 HydrophobicContact CG2-CE2 4.11Å; T149-F151 HydrophobicContact CG2-CG 4.4Å; T149-F151 HydrophobicContact CG2-CZ 3.69Å; T149-F151 WeakPolarHBondContact O-CD2 3.36Å; T149-F151 PolarHBondContact O-N 3.1Å
152L98.4Very high98.4Very high1 Ų147.5 Ų47.51%0.00525%0.253CS..SBendtrans-68.9-37.5-179.9-63.2179.3000111.6Y69 A72 L73 Q85 A87 L110 R112 Q150Y69-L152 HydrophobicContact CD1-CB 3.79Å; Y69-L152 HydrophobicContact CD1-CD1 4.15Å; Y69-L152 HydrophobicContact CD2-CB 4.5Å; Y69-L152 HydrophobicContact CD2-CD1 3.77Å; Y69-L152 HydrophobicContact CE1-CB 4.19Å; Y69-L152 HydrophobicContact CE1-CD1 3.97Å; Y69-L152 HydrophobicContact CE2-CD1 3.6Å; Y69-L152 HydrophobicContact CG-CB 3.95Å; Y69-L152 HydrophobicContact CG-CD1 4.05Å; A72-L152 HydrophobicContact CB-CB 4.42Å; A72-L152 WeakPolarHBondContact CB-O 3.13Å; L73-L152 HydrophobicContact CD1-CD2 4.41Å; L73-L152 HydrophobicContact CD2-CD1 4.07Å; Q85-L152 HydrophobicContact CG-CD2 3.68Å; A87-L152 HydrophobicContact CB-CD2 4.37Å; L110-L152 PolarHBondContact O-N 3.43Å; R112-L152 HydrophobicContact CB-CD1 4.25Å; Q150-L152 PolarHBondContact O-N 3.42Å
153K98.1Very high98.4Very high1 Ų147.2 Ų47.20%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-155.1160.9169.875.9-176.1-168.4154.70110.5G44 Y69 L110 M155 E189 L191G44-K153 WeakPolarHBondContact O-CE 3.24Å; G44-K153 PolarHBondContact O-NZ 3.04Å; Y69-K153 HydrophobicContact CD1-CD 4.01Å; Y69-K153 HydrophobicContact CD1-CG 4.05Å; L110-K153 HydrophobicContact CB-CG 4.22Å; L110-K153 HydrophobicContact CD1-CG 3.99Å; L110-K153 PolarHBondContact N-O 3.48Å; K153-M155 HydrophobicContact CD-SD 4.41Å; K153-M155 WeakPolarHBondContact CE-SD 3.26Å; K153-M155 PolarHBondContact NZ-SD 3.47Å; K153-E189 VanDerWaalsContact CD-OE2 3.3Å; K153-E189 WeakPolarHBondContact CD-OE2 3.42Å; K153-E189 WeakPolarHBondContact CE-OE2 3.21Å; K153-E189 IonicContact NZ-OE1 3.46Å; K153-E189 PolarHBondContact NZ-OE1 3.27Å; K153-E189 VanDerWaalsContact NZ-OE1 3.16Å; K153-E189 IonicContact NZ-OE2 2.66Å; K153-E189 PolarHBondContact NZ-OE2 2.8Å; K153-L191 HydrophobicContact CB-CD2 3.7Å; K153-L191 HydrophobicContact CB-CG 4.12Å
154V98.8Very high98.5Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-129.5160165.2-53.90000109.3L88 Y93 L96 F107 H108 A109 I190L88-V154 HydrophobicContact CD1-CG1 4.05Å; L88-V154 HydrophobicContact CD1-CG2 3.96Å; Y93-V154 HydrophobicContact CD2-CG1 4.37Å; L96-V154 HydrophobicContact CB-CG2 4.21Å; L96-V154 HydrophobicContact CD1-CG2 3.64Å; F107-V154 HydrophobicContact CE1-CB 4.3Å; F107-V154 HydrophobicContact CE2-CB 3.67Å; F107-V154 HydrophobicContact CE2-CG2 3.56Å; F107-V154 HydrophobicContact CZ-CB 3.39Å; F107-V154 HydrophobicContact CZ-CG1 3.83Å; F107-V154 HydrophobicContact CZ-CG2 3.57Å; H108-V154 CarbonylContact O-C 3.53Å; H108-V154 WeakPolarHBondContact O-CA 3.47Å; A109-V154 HydrophobicContact CB-CB 4.43Å; A109-V154 HydrophobicContact CB-CG1 3.7Å; V154-I190 HydrophobicContact CG2-CB 3.81Å; V154-I190 HydrophobicContact CG2-CG2 4.28Å; V154-I190 PolarHBondContact N-O 3.08Å; V154-I190 WeakPolarHBondContact O-CA 3.44Å; V154-I190 PolarHBondContact O-N 2.86Å; V154-I190 VanDerWaalsContact O-O 3.07Å
155M98.8Very high98.5Very high0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-138.7136.2-176.3-60.6171.261.600110.8F107 H108 L110 K153 I157 F187 L188 E189F107-M155 WeakPolarHBondContact CA-O 3.12Å; F107-M155 WeakPolarHBondContact CD2-O 3.38Å; H108-M155 PolarHBondContact CE1-SD 3.13Å; H108-M155 PolarHBondContact N-O 2.63Å; H108-M155 PolarHBondContact O-N 2.93Å; L110-M155 HydrophobicContact CD1-SD 4.24Å; K153-M155 HydrophobicContact CD-SD 4.41Å; K153-M155 WeakPolarHBondContact CE-SD 3.26Å; K153-M155 PolarHBondContact NZ-SD 3.47Å; M155-I157 HydrophobicContact CB-CG2 3.63Å; M155-I157 HydrophobicContact CE-CG2 4.04Å; M155-F187 HydrophobicContact CE-CB 3.67Å; M155-F187 HydrophobicContact CE-CD1 3.53Å; M155-F187 HydrophobicContact CE-CD2 3.75Å; M155-F187 HydrophobicContact CE-CE1 3.96Å; M155-F187 HydrophobicContact CE-CE2 4.18Å; M155-F187 HydrophobicContact CE-CG 3.4Å; M155-F187 HydrophobicContact CE-CZ 4.28Å; M155-L188 WeakPolarHBondContact CA-O 3.46Å; M155-E189 WeakPolarHBondContact CE-OE1 3.49Å; M155-E189 VanDerWaalsContact CG-OE2 3.26Å; M155-E189 WeakPolarHBondContact CG-OE2 3.44Å
156M98.8Very high98.5Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-89.8128.5158.5-68.5-176-167.600107.6L99 V103 H106 F107 L163 I170 L188 I190L99-M156 HydrophobicContact CB-CE 4.32Å; L99-M156 HydrophobicContact CD2-CE 4.03Å; L99-M156 HydrophobicContact CG-CE 3.98Å; V103-M156 HydrophobicContact CG2-CE 4.19Å; V103-M156 HydrophobicContact CG2-SD 3.82Å; H106-M156 WeakPolarHBondContact O-CA 3.45Å; F107-M156 HydrophobicContact CD2-CG 4.04Å; M156-L163 HydrophobicContact CB-CD1 3.88Å; M156-I170 HydrophobicContact CE-CD1 4.34Å; M156-I170 HydrophobicContact SD-CD1 3.97Å; M156-L188 HydrophobicContact CB-CB 4.21Å; M156-L188 HydrophobicContact CB-CD2 4.19Å; M156-L188 PolarHBondContact N-O 3.36Å; M156-L188 PolarHBondContact O-N 3.35Å; M156-L188 HydrophobicContact SD-CD2 4.27Å; M156-I190 HydrophobicContact CE-CD1 3.97Å; M156-I190 HydrophobicContact CG-CD1 4.13Å; M156-I190 HydrophobicContact SD-CD1 4.39Å
157I98.8Very high98.5Very high0 Ų041.7 Ų41.70%023%0.228CC..EExtended strand (participates in β ladder)trans-139.3130.3-168.858.798.4000108.6S105 H106 S123 T126 M155 Y186 F187S105-I157 PolarHBondContact OG-N 3.2Å; H106-I157 HydrophobicContact CB-CD1 3.83Å; H106-I157 HydrophobicContact CB-CG1 4.3Å; H106-I157 VanDerWaalsContact CB-O 3.29Å; H106-I157 WeakPolarHBondContact CB-O 3.26Å; H106-I157 PolarHBondContact N-O 3.2Å; H106-I157 PolarHBondContact O-N 2.91Å; S123-I157 WeakPolarHBondContact OG-CD1 3.46Å; T126-I157 VanDerWaalsContact OG1-CD1 3.23Å; T126-I157 WeakPolarHBondContact OG1-CD1 3.36Å; M155-I157 HydrophobicContact CB-CG2 3.63Å; M155-I157 HydrophobicContact CE-CG2 4.04Å; I157-Y186 WeakPolarHBondContact CA-O 3.27Å; I157-F187 HydrophobicContact CB-CD1 4.03Å; I157-F187 HydrophobicContact CB-CE1 4.22Å; I157-F187 HydrophobicContact CG2-CD1 3.41Å; I157-F187 VanDerWaalsContact CG2-CD1 3.41Å; I157-F187 HydrophobicContact CG2-CE1 3.74Å; I157-F187 HydrophobicContact CG2-CG 4.5Å
158D98.7Very high98.5Very high12 Ų1241.7 Ų41.76%0.06424%0.235CC..  trans-170177.5-179.6-135-57.9000111.3H106 Y125 I162 L163 Y186H106-D158 IonicContact CE1-OD2 3.66Å; H106-D158 IonicContact CG-OD2 3.4Å; H106-D158 PolarHBondContact N-OD2 3.32Å; H106-D158 IonicContact ND1-OD2 3.64Å; H106-D158 PolarHBondContact ND1-OD2 3.19Å; Y125-D158 VanDerWaalsContact CD2-C 3.49Å; Y125-D158 VanDerWaalsContact CE2-O 3.26Å; Y125-D158 WeakPolarHBondContact CE2-O 3.12Å; D158-I162 HydrophobicContact CB-CB 4.03Å; D158-I162 HydrophobicContact CB-CG2 3.89Å; D158-I162 VanDerWaalsContact CG-CG2 3.44Å; D158-I162 WeakPolarHBondContact OD1-CD1 3.28Å; D158-L163 HydrophobicContact CB-CB 4.11Å; D158-Y186 PolarHBondContact N-O 3.45Å; D158-Y186 WeakPolarHBondContact O-CA 3.48Å; D158-Y186 WeakPolarHBondContact O-CB 3.35Å
159E98.5Very high98.5Very high116 Ų11642.2 Ų42.254%0.54223%0.227SC..  trans-53.9140167.9-66-175.2-171.600109.5Y125 A161 I162 L163Y125-E159 HydrophobicContact CE2-CG 4.31Å; E159-A161 PolarHBondContact O-N 3.18Å; E159-I162 HydrophobicContact CB-CB 4.47Å; E159-I162 HydrophobicContact CB-CD1 4.06Å; E159-I162 HydrophobicContact CB-CG1 4.22Å; E159-I162 HydrophobicContact CG-CD1 4.36Å; E159-I162 WeakPolarHBondContact O-CA 3.2Å; E159-I162 WeakPolarHBondContact O-CB 3.4Å; E159-I162 PolarHBondContact O-N 3.01Å; E159-L163 PolarHBondContact O-N 3.43Å
160P98.4Very high98.5Very high46 Ų4641.6 Ų41.630%0.29922%0.223SC..Hα-helixtrans-52.1-40.8-170.3-30.635.6000114.3L163 D164 P185P160-L163 PolarHBondContact O-N 3.27Å; P160-D164 WeakPolarHBondContact O-CB 3.28Å; P160-D164 VanDerWaalsContact O-CG 3.23Å; P160-D164 PolarHBondContact O-N 2.91Å; P160-P185 HydrophobicContact CB-CB 4.11Å; P160-P185 HydrophobicContact CG-CB 3.91Å
161A98.4Very high98.5Very high65 Ų6539.5 Ų39.554%0.53722%0.219SC..Hα-helixtrans-67.3-35.9178.100000113.2E159 Q165E159-A161 PolarHBondContact O-N 3.18Å; A161-Q165 VanDerWaalsContact O-CG 3.27Å; A161-Q165 WeakPolarHBondContact O-CG 3.31Å; A161-Q165 PolarHBondContact O-N 3.04Å
162I98.7Very high98.5Very high63 Ų6345 Ų4532%0.32325%0.245SC..Hα-helixtrans-70.3-47.3176-62.4175.8000109.2G104 D158 E159 D164 Q165 A166G104-I162 WeakPolarHBondContact O-CG2 3.37Å; D158-I162 HydrophobicContact CB-CB 4.03Å; D158-I162 HydrophobicContact CB-CG2 3.89Å; D158-I162 VanDerWaalsContact CG-CG2 3.44Å; D158-I162 WeakPolarHBondContact OD1-CD1 3.28Å; E159-I162 HydrophobicContact CB-CB 4.47Å; E159-I162 HydrophobicContact CB-CD1 4.06Å; E159-I162 HydrophobicContact CB-CG1 4.22Å; E159-I162 HydrophobicContact CG-CD1 4.36Å; E159-I162 WeakPolarHBondContact O-CA 3.2Å; E159-I162 WeakPolarHBondContact O-CB 3.4Å; E159-I162 PolarHBondContact O-N 3.01Å; I162-D164 PolarHBondContact O-N 3.05Å; I162-Q165 WeakPolarHBondContact O-CB 3.43Å; I162-Q165 PolarHBondContact O-N 3.33Å; I162-A166 PolarHBondContact O-N 2.96Å
163L98.7Very high98.5Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-63.5-42.3-179.9-178.167000112M156 D158 E159 P160 Q165 A166 I167 L188M156-L163 HydrophobicContact CB-CD1 3.88Å; D158-L163 HydrophobicContact CB-CB 4.11Å; E159-L163 PolarHBondContact O-N 3.43Å; P160-L163 PolarHBondContact O-N 3.27Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.18Å; L163-A166 WeakPolarHBondContact O-CB 3.35Å; L163-A166 PolarHBondContact O-N 2.95Å; L163-A166 VanDerWaalsContact O-N 3.11Å; L163-I167 HydrophobicContact CD1-CD1 4.41Å; L163-I167 HydrophobicContact CD1-CG1 4.45Å; L163-I167 HydrophobicContact CD2-CD1 4.38Å; L163-I167 HydrophobicContact CG-CD1 3.88Å; L163-I167 HydrophobicContact CG-CG1 4.37Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.34Å; L163-L188 HydrophobicContact CD1-CB 3.99Å; L163-L188 HydrophobicContact CD2-CB 4.24Å
164D98.3Very high98.5Very high79 Ų7952.6 Ų52.642%0.42228%0.281SS..Hα-helixtrans-64.2-36.8178-73.7-21.2000111.9P160 I162 I167 A168 K182P160-D164 WeakPolarHBondContact O-CB 3.28Å; P160-D164 VanDerWaalsContact O-CG 3.23Å; P160-D164 PolarHBondContact O-N 2.91Å; I162-D164 PolarHBondContact O-N 3.05Å; D164-I167 PolarHBondContact O-N 3.2Å; D164-A168 WeakPolarHBondContact O-CB 3.34Å; D164-A168 PolarHBondContact O-N 3.08Å; D164-K182 IonicContact OD1-NZ 2.83Å; D164-K182 PolarHBondContact OD1-NZ 3.14Å; D164-K182 IonicContact OD2-NZ 3.4Å
165Q98.6Very high98.4Very high112 Ų11255.7 Ų55.752%0.52329%0.294SS..Hα-helixtrans-65.1-39.9171.6-72.8178.223.200112A161 I162 L163 A168 R169A161-Q165 VanDerWaalsContact O-CG 3.27Å; A161-Q165 WeakPolarHBondContact O-CG 3.31Å; A161-Q165 PolarHBondContact O-N 3.04Å; I162-Q165 WeakPolarHBondContact O-CB 3.43Å; I162-Q165 PolarHBondContact O-N 3.33Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.18Å; Q165-A168 PolarHBondContact O-N 3.25Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 2.82Å
166A98.6Very high98.3Very high1 Ų161.7 Ų61.71%0.00832%0.322CS..Hα-helixtrans-63.6-46.217500000111.3V103 I162 L163 A168 R169 I170V103-A166 HydrophobicContact CB-CB 4.11Å; V103-A166 HydrophobicContact CG2-CB 3.78Å; I162-A166 PolarHBondContact O-N 2.96Å; L163-A166 WeakPolarHBondContact O-CB 3.35Å; L163-A166 PolarHBondContact O-N 2.95Å; L163-A166 VanDerWaalsContact O-N 3.11Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.04Å; A166-R169 WeakPolarHBondContact O-CA 3.5Å; A166-R169 WeakPolarHBondContact O-CB 3.41Å; A166-R169 PolarHBondContact O-N 3.08Å; A166-I170 PolarHBondContact O-N 3.22Å
167I98.4Very high98.3Very high31 Ų3166.9 Ų66.916%0.15935%0.345CS..Hα-helixtrans-58-39.7177.1-70.2164.7000111.8L163 D164 R169 I170 K175 K182 L188L163-I167 HydrophobicContact CD1-CD1 4.41Å; L163-I167 HydrophobicContact CD1-CG1 4.45Å; L163-I167 HydrophobicContact CD2-CD1 4.38Å; L163-I167 HydrophobicContact CG-CD1 3.88Å; L163-I167 HydrophobicContact CG-CG1 4.37Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.34Å; D164-I167 PolarHBondContact O-N 3.2Å; I167-R169 PolarHBondContact O-N 3.5Å; I167-I170 PolarHBondContact O-N 2.81Å; I167-K175 PolarHBondContact O-NZ 3.28Å; I167-K182 HydrophobicContact CD1-CD 3.8Å; I167-K182 HydrophobicContact CD1-CG 4.04Å; I167-L188 HydrophobicContact CD1-CB 4.4Å; I167-L188 HydrophobicContact CD1-CD1 3.88Å; I167-L188 HydrophobicContact CD1-CD2 4.41Å; I167-L188 HydrophobicContact CD1-CG 4.47Å; I167-L188 HydrophobicContact CG1-CD1 4.02Å; I167-L188 HydrophobicContact CG1-CD2 3.77Å; I167-L188 HydrophobicContact CG1-CG 4.35Å
168A98.4Very high98.3Very high84 Ų8467.1 Ų67.169%0.69435%0.346SS*.Hα-helixtrans-65.9-23.6176.500000113.1D164 Q165 A166D164-A168 WeakPolarHBondContact O-CB 3.34Å; D164-A168 PolarHBondContact O-N 3.08Å; Q165-A168 PolarHBondContact O-N 3.25Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.04Å
169R98.6Very high98.3Very high144 Ų14466.9 Ų66.954%0.54335%0.345SS..Hα-helixtrans-90.7-13.1177.5-64.6169.1-168.2177.73.8113.7V103 Q165 A166 I167 P171V103-R169 HydrophobicContact CB-CB 4.05Å; V103-R169 HydrophobicContact CG1-CB 3.86Å; V103-R169 WeakPolarHBondContact O-CD 3.26Å; V103-R169 PolarHBondContact O-NH1 3.35Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 2.82Å; A166-R169 WeakPolarHBondContact O-CA 3.5Å; A166-R169 WeakPolarHBondContact O-CB 3.41Å; A166-R169 PolarHBondContact O-N 3.08Å; I167-R169 PolarHBondContact O-N 3.5Å; R169-P171 WeakPolarHBondContact O-CD 3.3Å
170I98.6Very high98.3Very high8 Ų862.5 Ų62.54%0.04133%0.326CS..SBendtrans-66.8123177.7-65.8174.2000109.7L99 V103 M156 A166 I167 V174 K175 L188L99-I170 HydrophobicContact CD2-CG2 4.49Å; V103-I170 HydrophobicContact CG1-CG1 4.14Å; M156-I170 HydrophobicContact CE-CD1 4.34Å; M156-I170 HydrophobicContact SD-CD1 3.97Å; A166-I170 PolarHBondContact O-N 3.22Å; I167-I170 PolarHBondContact O-N 2.81Å; I170-V174 HydrophobicContact CG2-CB 3.81Å; I170-V174 HydrophobicContact CG2-CG1 3.94Å; I170-K175 HydrophobicContact CG2-CG 4.05Å; I170-L188 HydrophobicContact CD1-CD2 3.63Å
171P97.9Very high98.2Very high67 Ų6762.1 Ų62.144%0.43532%0.321SS..  trans-60.3146.2177.4-22.733.1000112.8R169 E173 V174 K175R169-P171 WeakPolarHBondContact O-CD 3.3Å; P171-E173 VanDerWaalsContact C-N 3.25Å; P171-E173 PolarHBondContact O-N 3.16Å; P171-V174 HydrophobicContact CB-CG2 4.27Å; P171-V174 HydrophobicContact CG-CG2 4.34Å; P171-V174 WeakPolarHBondContact O-CB 3.42Å; P171-V174 PolarHBondContact O-N 2.79Å; P171-K175 PolarHBondContact O-N 3.12Å
172Q98.1Very high98Very high116 Ų11660.8 Ų60.854%0.54230%0.303SS..Hα-helixtrans-59-36.1-179.6-175.559.522.500112.8V174 K175 E176Q172-V174 PolarHBondContact O-N 3.04Å; Q172-K175 CarbonylContact O-C 3.59Å; Q172-K175 WeakPolarHBondContact O-CA 3.03Å; Q172-K175 WeakPolarHBondContact O-CB 3.06Å; Q172-K175 PolarHBondContact O-N 3.22Å; Q172-E176 PolarHBondContact O-N 3.04Å
173E97.7Very high97.7Very high152 Ų15259 Ų5971%0.7130%0.296SS*.Hα-helixtrans-56.8-35.4175.6-175.1-177.8-179.400112.4P171 E176 K177P171-E173 VanDerWaalsContact C-N 3.25Å; P171-E173 PolarHBondContact O-N 3.16Å; E173-E176 PolarHBondContact O-N 3.28Å; E173-K177 VanDerWaalsContact O-CB 3.25Å; E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 PolarHBondContact O-N 3.02Å
174V98.2Very high97.3Very high9 Ų959.6 Ų59.66%0.05530%0.301CS..Hα-helixtrans-68.7-41176.6-1790000110.5F95 L96 L99 I170 P171 Q172 E176 K177 Y178F95-V174 HydrophobicContact CE1-CG1 4.32Å; F95-V174 HydrophobicContact CE1-CG2 3.96Å; F95-V174 HydrophobicContact CZ-CG2 3.91Å; L96-V174 HydrophobicContact CD2-CG1 4.3Å; L99-V174 HydrophobicContact CD2-CB 4.42Å; L99-V174 HydrophobicContact CD2-CG1 3.75Å; L99-V174 HydrophobicContact CD2-CG2 4.04Å; I170-V174 HydrophobicContact CG2-CB 3.81Å; I170-V174 HydrophobicContact CG2-CG1 3.94Å; P171-V174 HydrophobicContact CB-CG2 4.27Å; P171-V174 HydrophobicContact CG-CG2 4.34Å; P171-V174 WeakPolarHBondContact O-CB 3.42Å; P171-V174 PolarHBondContact O-N 2.79Å; Q172-V174 PolarHBondContact O-N 3.04Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 PolarHBondContact O-N 2.93Å; V174-K177 PolarHBondContact O-N 3.21Å; V174-Y178 HydrophobicContact CG1-CD2 3.8Å; V174-Y178 HydrophobicContact CG1-CE2 4.26Å; V174-Y178 WeakPolarHBondContact O-CD2 3.06Å; V174-Y178 PolarHBondContact O-N 2.87Å
175K97.4Very high97.1Very high65 Ų6559 Ų5928%0.28330%0.302SS..Hα-helixtrans-67-27.5176.5-60.9176.1-179.1173.70112I167 I170 P171 Q172 K193I167-K175 PolarHBondContact O-NZ 3.28Å; I170-K175 HydrophobicContact CG2-CG 4.05Å; P171-K175 PolarHBondContact O-N 3.12Å; Q172-K175 CarbonylContact O-C 3.59Å; Q172-K175 WeakPolarHBondContact O-CA 3.03Å; Q172-K175 WeakPolarHBondContact O-CB 3.06Å; Q172-K175 PolarHBondContact O-N 3.22Å; K175-K193 PolarHBondContact O-NZ 3.14Å
176E97.6Very high97Very high125 Ų12556.7 Ų56.758%0.58429%0.289SS*.Hα-helixtrans-80-37.8172.9-71.1175.5-171.700112.2Q172 E173 V174 K193Q172-E176 PolarHBondContact O-N 3.04Å; E173-E176 PolarHBondContact O-N 3.28Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 PolarHBondContact O-N 2.93Å; E176-K193 VanDerWaalsContact O-CD 3.27Å; E176-K193 WeakPolarHBondContact O-CD 3.29Å; E176-K193 WeakPolarHBondContact O-CE 3.37Å; E176-K193 PolarHBondContact O-NZ 2.82Å
177K98.4Very high97Very high110 Ų11057.3 Ų57.348%0.47829%0.291SS..Hα-helixtrans-74.2-30.2-179.7-173.1179178.1-158.60114D92 E173 V174 K193D92-K177 IonicContact OD1-NZ 3.64Å; E173-K177 VanDerWaalsContact O-CB 3.25Å; E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 PolarHBondContact O-N 3.02Å; V174-K177 PolarHBondContact O-N 3.21Å; K177-K193 WeakPolarHBondContact O-CB 3.39Å
178Y98.7Very high97Very high4 Ų456 Ų562%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-123.3162.5-178.1-59.6-71.6000112L88 D92 F95 L96 V174 I190 L191 K193L88-Y178 HydrophobicContact CD2-CD1 3.64Å; L88-Y178 HydrophobicContact CD2-CE1 3.65Å; D92-Y178 HydrophobicContact CB-CE1 3.94Å; D92-Y178 WeakPolarHBondContact OD1-CE1 3.34Å; D92-Y178 PolarHBondContact OD1-OH 3.23Å; F95-Y178 HydrophobicContact CD1-CE2 4.01Å; F95-Y178 HydrophobicContact CE1-CE2 4Å; L96-Y178 HydrophobicContact CD1-CD1 4.46Å; L96-Y178 HydrophobicContact CD1-CE1 4.31Å; L96-Y178 HydrophobicContact CD1-CE2 4.47Å; L96-Y178 HydrophobicContact CD2-CD2 3.99Å; L96-Y178 HydrophobicContact CD2-CE2 3.89Å; L96-Y178 HydrophobicContact CG-CE2 4.3Å; V174-Y178 HydrophobicContact CG1-CD2 3.8Å; V174-Y178 HydrophobicContact CG1-CE2 4.26Å; V174-Y178 WeakPolarHBondContact O-CD2 3.06Å; V174-Y178 PolarHBondContact O-N 2.87Å; Y178-I190 HydrophobicContact CG-CG2 4.2Å; Y178-L191 WeakPolarHBondContact CB-O 3.43Å; Y178-K193 VanDerWaalsContact C-CD 3.4Å; Y178-K193 VanDerWaalsContact O-CD 3.23Å; Y178-K193 WeakPolarHBondContact O-CD 3.47Å; Y178-K193 PolarHBondContact O-NZ 3.48Å
179T98.3Very high97Very high8 Ų852.2 Ų52.25%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-77.9117.8161.3-63.60000106.9L181 I190 L191 D192 V195 N196T179-L181 HydrophobicContact CG2-CD1 3.57Å; T179-L181 HydrophobicContact CG2-CG 4Å; T179-I190 VanDerWaalsContact O-CA 3.29Å; T179-I190 WeakPolarHBondContact O-CA 3.47Å; T179-L191 HydrophobicContact CG2-CD1 3.72Å; T179-L191 PolarHBondContact N-O 2.87Å; T179-L191 PolarHBondContact O-N 3.43Å; T179-D192 PolarHBondContact OG1-O 3.49Å; T179-V195 WeakPolarHBondContact CB-O 3.41Å; T179-V195 PolarHBondContact OG1-O 2.87Å; T179-N196 HydrophobicContact CG2-CB 4.16Å
180V98.1Very high97Very high23 Ų2345.4 Ų45.414%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-130.5103.8-176.4-179.60000107.8L188 E189 I190V180-L188 HydrophobicContact CG1-CD1 3.79Å; V180-L188 HydrophobicContact CG1-CD2 3.97Å; V180-L188 HydrophobicContact CG1-CG 4.08Å; V180-E189 WeakPolarHBondContact CA-O 3.36Å; V180-I190 HydrophobicContact CG2-CG1 4.5Å; V180-I190 HydrophobicContact CG2-CG2 4.26Å
181L95.7Very high97Very high38 Ų3845 Ų4520%0.19923%0.225CC..EExtended strand (participates in β ladder)trans-143.1142.3-171-59.5167.7000110.2T179 E189 E222 N223T179-L181 HydrophobicContact CG2-CD1 3.57Å; T179-L181 HydrophobicContact CG2-CG 4Å; L181-E189 PolarHBondContact N-O 2.93Å; L181-E189 VanDerWaalsContact N-O 3.08Å; L181-E189 WeakPolarHBondContact O-CB 3.46Å; L181-E189 PolarHBondContact O-N 3.28Å; L181-E222 HydrophobicContact CD2-CG 4.02Å; L181-N223 HydrophobicContact CB-CB 4.35Å; L181-N223 HydrophobicContact CD1-CB 4.44Å
182K95.6Very high97Very high38 Ų3842.8 Ų42.817%0.16521%0.209CC..EExtended strand (participates in β ladder)trans-77.2138.7171.1-63.3-16976.5169.50110.5D164 I167 A184 P185 F187 L188 E222 N223D164-K182 IonicContact OD1-NZ 2.83Å; D164-K182 PolarHBondContact OD1-NZ 3.14Å; D164-K182 IonicContact OD2-NZ 3.4Å; I167-K182 HydrophobicContact CD1-CD 3.8Å; I167-K182 HydrophobicContact CD1-CG 4.04Å; K182-A184 VanDerWaalsContact CE-O 3.26Å; K182-A184 WeakPolarHBondContact CE-O 3.5Å; K182-P185 WeakPolarHBondContact CE-O 3.44Å; K182-P185 PolarHBondContact NZ-O 2.76Å; K182-F187 WeakPolarHBondContact CA-O 3.33Å; K182-L188 HydrophobicContact CG-CD1 3.98Å; K182-E222 PolarHBondContact N-OE2 2.99Å; K182-N223 PolarHBondContact O-N 3.34Å
183S91.3Very high97Very high25 Ų2542.2 Ų42.218%0.17521%0.205CC..EExtended strand (participates in β ladder)trans-109.1-16.9168.156.70000112.3F187 E189S183-F187 PolarHBondContact N-O 2.88Å; S183-F187 WeakPolarHBondContact OG-CB 3.44Å; S183-E189 VanDerWaalsContact OG-CG 3.28Å; S183-E189 WeakPolarHBondContact OG-CG 3.29Å; S183-E189 PolarHBondContact OG-OE1 3.33Å
184A91.7Very high97Very high12 Ų1243 Ų4310%0.09920%0.201CC..EExtended strand (participates in β ladder)trans-156.1167.8173.900000109.5K182 Y186 F187K182-A184 VanDerWaalsContact CE-O 3.26Å; K182-A184 WeakPolarHBondContact CE-O 3.5Å; A184-Y186 HydrophobicContact CB-CD2 4.2Å; A184-Y186 HydrophobicContact CB-CE1 4.23Å; A184-Y186 HydrophobicContact CB-CE2 3.9Å; A184-Y186 HydrophobicContact CB-CG 4.5Å; A184-Y186 PolarHBondContact O-N 3.44Å; A184-F187 HydrophobicContact CB-CB 4.06Å; A184-F187 HydrophobicContact CB-CD2 4.06Å; A184-F187 HydrophobicContact CB-CG 4.31Å; A184-F187 PolarHBondContact O-N 3.11Å; A184-F187 VanDerWaalsContact O-N 3.13Å
185P93.8Very high96.9Very high68 Ų6843 Ų4344%0.44220%0.201SC..THydrogen-bonded Turntrans-53.4-29.5175.9-29.437.1000114.4P160 K182P160-P185 HydrophobicContact CB-CB 4.11Å; P160-P185 HydrophobicContact CG-CB 3.91Å; K182-P185 WeakPolarHBondContact CE-O 3.44Å; K182-P185 PolarHBondContact NZ-O 2.76Å
186Y96.9Very high96.9Very high63 Ų6341.5 Ų41.525%0.24720%0.196CC..THydrogen-bonded Turntrans-1106-176.548.5-100.1000114.2Y125 I157 D158 A184Y125-Y186 HydrophobicContact CD1-CD1 4.22Å; Y125-Y186 AromaticContact CD1-CD2 3.31Å; Y125-Y186 HydrophobicContact CD1-CD2 3.31Å; Y125-Y186 AromaticContact CD1-CE2 3.95Å; Y125-Y186 HydrophobicContact CD1-CE2 3.95Å; Y125-Y186 AromaticContact CD1-CG 3.47Å; Y125-Y186 HydrophobicContact CD1-CG 3.47Å; Y125-Y186 VanDerWaalsContact CD1-CG 3.47Å; Y125-Y186 VanDerWaalsContact CE1-CB 3.41Å; Y125-Y186 AromaticContact CE1-CD1 3.63Å; Y125-Y186 HydrophobicContact CE1-CD1 3.63Å; Y125-Y186 AromaticContact CE1-CD2 3.62Å; Y125-Y186 HydrophobicContact CE1-CD2 3.62Å; Y125-Y186 HydrophobicContact CE1-CE1 4.28Å; Y125-Y186 HydrophobicContact CE1-CE2 4.27Å; Y125-Y186 AromaticContact CE1-CG 3.25Å; Y125-Y186 HydrophobicContact CE1-CG 3.25Å; Y125-Y186 HydrophobicContact CG-CD2 4.13Å; Y125-Y186 HydrophobicContact CG-CG 4.32Å; Y125-Y186 AromaticContact CZ-CG 3.98Å; I157-Y186 WeakPolarHBondContact CA-O 3.27Å; D158-Y186 PolarHBondContact N-O 3.45Å; D158-Y186 WeakPolarHBondContact O-CA 3.48Å; D158-Y186 WeakPolarHBondContact O-CB 3.35Å; A184-Y186 HydrophobicContact CB-CD2 4.2Å; A184-Y186 HydrophobicContact CB-CE1 4.23Å; A184-Y186 HydrophobicContact CB-CE2 3.9Å; A184-Y186 HydrophobicContact CB-CG 4.5Å; A184-Y186 PolarHBondContact O-N 3.44Å
187F97.8Very high97Very high13 Ų1335.6 Ų35.66%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-127121.1-179.9-73.4-24.5000112E129 M155 I157 K182 S183 A184E129-F187 HydrophobicContact CB-CZ 4.21Å; M155-F187 HydrophobicContact CE-CB 3.67Å; M155-F187 HydrophobicContact CE-CD1 3.53Å; M155-F187 HydrophobicContact CE-CD2 3.75Å; M155-F187 HydrophobicContact CE-CE1 3.96Å; M155-F187 HydrophobicContact CE-CE2 4.18Å; M155-F187 HydrophobicContact CE-CG 3.4Å; M155-F187 HydrophobicContact CE-CZ 4.28Å; I157-F187 HydrophobicContact CB-CD1 4.03Å; I157-F187 HydrophobicContact CB-CE1 4.22Å; I157-F187 HydrophobicContact CG2-CD1 3.41Å; I157-F187 VanDerWaalsContact CG2-CD1 3.41Å; I157-F187 HydrophobicContact CG2-CE1 3.74Å; I157-F187 HydrophobicContact CG2-CG 4.5Å; K182-F187 WeakPolarHBondContact CA-O 3.33Å; S183-F187 PolarHBondContact N-O 2.88Å; S183-F187 WeakPolarHBondContact OG-CB 3.44Å; A184-F187 HydrophobicContact CB-CB 4.06Å; A184-F187 HydrophobicContact CB-CD2 4.06Å; A184-F187 HydrophobicContact CB-CG 4.31Å; A184-F187 PolarHBondContact O-N 3.11Å; A184-F187 VanDerWaalsContact O-N 3.13Å
188L98.2Very high96.9Very high4 Ų430.6 Ų30.62%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-109.8112.8166.8-17774.6000109.3M155 M156 L163 I167 I170 V180 K182 I190M155-L188 WeakPolarHBondContact CA-O 3.46Å; M156-L188 HydrophobicContact CB-CB 4.21Å; M156-L188 HydrophobicContact CB-CD2 4.19Å; M156-L188 PolarHBondContact N-O 3.36Å; M156-L188 PolarHBondContact O-N 3.35Å; M156-L188 HydrophobicContact SD-CD2 4.27Å; L163-L188 HydrophobicContact CD1-CB 3.99Å; L163-L188 HydrophobicContact CD2-CB 4.24Å; I167-L188 HydrophobicContact CD1-CB 4.4Å; I167-L188 HydrophobicContact CD1-CD1 3.88Å; I167-L188 HydrophobicContact CD1-CD2 4.41Å; I167-L188 HydrophobicContact CD1-CG 4.47Å; I167-L188 HydrophobicContact CG1-CD1 4.02Å; I167-L188 HydrophobicContact CG1-CD2 3.77Å; I167-L188 HydrophobicContact CG1-CG 4.35Å; I170-L188 HydrophobicContact CD1-CD2 3.63Å; V180-L188 HydrophobicContact CG1-CD1 3.79Å; V180-L188 HydrophobicContact CG1-CD2 3.97Å; V180-L188 HydrophobicContact CG1-CG 4.08Å; K182-L188 HydrophobicContact CG-CD1 3.98Å; L188-I190 HydrophobicContact CD2-CD1 4.28Å; L188-I190 HydrophobicContact CD2-CG1 4.39Å; L188-I190 HydrophobicContact CG-CG1 4.39Å
189E98.1Very high96.9Very high5 Ų532.7 Ų32.72%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-84.8129.5179.4-55.4-79.5-176.900109.7K153 M155 V180 L181 S183 L191K153-E189 VanDerWaalsContact CD-OE2 3.3Å; K153-E189 WeakPolarHBondContact CD-OE2 3.42Å; K153-E189 WeakPolarHBondContact CE-OE2 3.21Å; K153-E189 IonicContact NZ-OE1 3.46Å; K153-E189 PolarHBondContact NZ-OE1 3.27Å; K153-E189 VanDerWaalsContact NZ-OE1 3.16Å; K153-E189 IonicContact NZ-OE2 2.66Å; K153-E189 PolarHBondContact NZ-OE2 2.8Å; M155-E189 WeakPolarHBondContact CE-OE1 3.49Å; M155-E189 VanDerWaalsContact CG-OE2 3.26Å; M155-E189 WeakPolarHBondContact CG-OE2 3.44Å; V180-E189 WeakPolarHBondContact CA-O 3.36Å; L181-E189 PolarHBondContact N-O 2.93Å; L181-E189 VanDerWaalsContact N-O 3.08Å; L181-E189 WeakPolarHBondContact O-CB 3.46Å; L181-E189 PolarHBondContact O-N 3.28Å; S183-E189 VanDerWaalsContact OG-CG 3.28Å; S183-E189 WeakPolarHBondContact OG-CG 3.29Å; S183-E189 PolarHBondContact OG-OE1 3.33Å; E189-L191 HydrophobicContact CB-CD1 4.31Å
190I98.6Very high96.9Very high1 Ų132.4 Ų32.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-125.7121.5177-50175.9000109.8L96 V154 M156 Y178 T179 V180 L188L96-I190 HydrophobicContact CD1-CB 4.49Å; L96-I190 HydrophobicContact CD1-CG2 3.62Å; L96-I190 HydrophobicContact CD2-CD1 4.24Å; L96-I190 HydrophobicContact CD2-CG2 3.94Å; L96-I190 HydrophobicContact CG-CG2 4.43Å; V154-I190 HydrophobicContact CG2-CB 3.81Å; V154-I190 HydrophobicContact CG2-CG2 4.28Å; V154-I190 PolarHBondContact N-O 3.08Å; V154-I190 WeakPolarHBondContact O-CA 3.44Å; V154-I190 PolarHBondContact O-N 2.86Å; V154-I190 VanDerWaalsContact O-O 3.07Å; M156-I190 HydrophobicContact CE-CD1 3.97Å; M156-I190 HydrophobicContact CG-CD1 4.13Å; M156-I190 HydrophobicContact SD-CD1 4.39Å; Y178-I190 HydrophobicContact CG-CG2 4.2Å; T179-I190 VanDerWaalsContact O-CA 3.29Å; T179-I190 WeakPolarHBondContact O-CA 3.47Å; V180-I190 HydrophobicContact CG2-CG1 4.5Å; V180-I190 HydrophobicContact CG2-CG2 4.26Å; L188-I190 HydrophobicContact CD2-CD1 4.28Å; L188-I190 HydrophobicContact CD2-CG1 4.39Å; L188-I190 HydrophobicContact CG-CG1 4.39Å
191L98.2Very high96.9Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-135.3171.5-176.3-40103.8000111.3Y69 N70 A72 K153 Y178 T179 E189 V195Y69-L191 WeakPolarHBondContact O-CD2 3.14Å; N70-L191 HydrophobicContact CB-CD1 3.97Å; N70-L191 HydrophobicContact CB-CD2 3.65Å; N70-L191 HydrophobicContact CB-CG 4.47Å; A72-L191 HydrophobicContact CB-CD2 4.13Å; K153-L191 HydrophobicContact CB-CD2 3.7Å; K153-L191 HydrophobicContact CB-CG 4.12Å; Y178-L191 WeakPolarHBondContact CB-O 3.43Å; T179-L191 HydrophobicContact CG2-CD1 3.72Å; T179-L191 PolarHBondContact N-O 2.87Å; T179-L191 PolarHBondContact O-N 3.43Å; E189-L191 HydrophobicContact CB-CD1 4.31Å; L191-V195 HydrophobicContact CB-CG2 4.07Å
192D98.5Very high97Very high20 Ų2033.8 Ų33.811%0.10716%0.163CC..EExtended strand (participates in β ladder)trans-57.9139.6168.9-174.4-67.8000110.6T86 L88 T179 R194 V195T86-D192 HydrophobicContact CG2-CB 3.86Å; L88-D192 HydrophobicContact CD2-CB 4.24Å; T179-D192 PolarHBondContact OG1-O 3.49Å; D192-R194 PolarHBondContact O-N 2.74Å; D192-R194 VanDerWaalsContact OD1-CB 3.26Å; D192-R194 WeakPolarHBondContact OD1-CB 3.22Å; D192-R194 WeakPolarHBondContact OD1-CG 3.34Å; D192-R194 IonicContact OD1-CZ 3.32Å; D192-R194 PolarHBondContact OD1-N 2.77Å; D192-R194 IonicContact OD1-NE 3.51Å; D192-R194 PolarHBondContact OD1-NE 3.19Å; D192-R194 IonicContact OD1-NH2 2.83Å; D192-R194 IonicContact OD2-CZ 2.77Å; D192-R194 IonicContact OD2-NE 3.77Å; D192-R194 PolarHBondContact OD2-NE 2.79Å; D192-R194 IonicContact OD2-NH2 3.53Å; D192-R194 PolarHBondContact OD2-NH2 3.29Å; D192-V195 HydrophobicContact CB-CG2 4.16Å; D192-V195 VanDerWaalsContact O-CG2 3.31Å; D192-V195 WeakPolarHBondContact O-CG2 3.44Å; D192-V195 PolarHBondContact O-N 3.44Å
193K98Very high97Very high104 Ų10433.8 Ų33.845%0.45217%0.168SC..THydrogen-bonded Turntrans-58.5-24.9-175.8-163.962.1175.7-175.40114.1K175 E176 K177 Y178 V195K175-K193 PolarHBondContact O-NZ 3.14Å; E176-K193 VanDerWaalsContact O-CD 3.27Å; E176-K193 WeakPolarHBondContact O-CD 3.29Å; E176-K193 WeakPolarHBondContact O-CE 3.37Å; E176-K193 PolarHBondContact O-NZ 2.82Å; K177-K193 WeakPolarHBondContact O-CB 3.39Å; Y178-K193 VanDerWaalsContact C-CD 3.4Å; Y178-K193 VanDerWaalsContact O-CD 3.23Å; Y178-K193 WeakPolarHBondContact O-CD 3.47Å; Y178-K193 PolarHBondContact O-NZ 3.48Å; K193-V195 PolarHBondContact O-N 3.44Å
194R97.5Very high97.2Very high168 Ų16832.7 Ų32.763%0.63416%0.16SC*.THydrogen-bonded Turntrans-74.6-12.4-179.1-63.5170-71.5173.9-2.6112.7T86 D192T86-R194 HydrophobicContact CG2-CB 4.48Å; D192-R194 PolarHBondContact O-N 2.74Å; D192-R194 VanDerWaalsContact OD1-CB 3.26Å; D192-R194 WeakPolarHBondContact OD1-CB 3.22Å; D192-R194 WeakPolarHBondContact OD1-CG 3.34Å; D192-R194 IonicContact OD1-CZ 3.32Å; D192-R194 PolarHBondContact OD1-N 2.77Å; D192-R194 IonicContact OD1-NE 3.51Å; D192-R194 PolarHBondContact OD1-NE 3.19Å; D192-R194 IonicContact OD1-NH2 2.83Å; D192-R194 IonicContact OD2-CZ 2.77Å; D192-R194 IonicContact OD2-NE 3.77Å; D192-R194 PolarHBondContact OD2-NE 2.79Å; D192-R194 IonicContact OD2-NH2 3.53Å; D192-R194 PolarHBondContact OD2-NH2 3.29Å
195V97Very high97.5Very high8 Ų832.1 Ų32.15%0.04816%0.155CC..  trans-124.6136-176.2-65.90000113.8A72 T86 T179 L191 D192 K193 T199A72-V195 HydrophobicContact CB-CG2 4.06Å; T86-V195 VanDerWaalsContact CB-CG1 3.5Å; T86-V195 HydrophobicContact CG2-CG1 4.19Å; T179-V195 WeakPolarHBondContact CB-O 3.41Å; T179-V195 PolarHBondContact OG1-O 2.87Å; L191-V195 HydrophobicContact CB-CG2 4.07Å; D192-V195 HydrophobicContact CB-CG2 4.16Å; D192-V195 VanDerWaalsContact O-CG2 3.31Å; D192-V195 WeakPolarHBondContact O-CG2 3.44Å; D192-V195 PolarHBondContact O-N 3.44Å; K193-V195 PolarHBondContact O-N 3.44Å; V195-T199 WeakPolarHBondContact CA-OG1 3.19Å
196N97.6Very high97.6Very high34 Ų3433.4 Ų33.418%0.18216%0.158CC..SBendtrans-154.6178.1164.458.655.1000108.2N70 T179 G198 T199 G200N70-N196 CarbonylContact O-C 3.52Å; N70-N196 WeakPolarHBondContact O-CA 3.33Å; T179-N196 HydrophobicContact CG2-CB 4.16Å; N196-G198 VanDerWaalsContact C-N 3.27Å; N196-G198 PolarHBondContact O-N 2.8Å; N196-G198 WeakPolarHBondContact OD1-CA 3.35Å; N196-G198 PolarHBondContact OD1-N 3.07Å; N196-T199 PolarHBondContact N-OG1 2.98Å; N196-T199 PolarHBondContact O-N 3.3Å; N196-T199 PolarHBondContact O-OG1 3.05Å; N196-T199 PolarHBondContact OD1-N 3.45Å; N196-G200 PolarHBondContact O-N 2.88Å
197K98.3Very high97.4Very high1 Ų135 Ų350%0.00417%0.174CC..Hα-helixtrans-56.5-41.2179.5-73.8-177.5171.9171.20112D9 T42 N70 G200 V201 N223 D224 M227D9-K197 VanDerWaalsContact CG-NZ 3.32Å; D9-K197 IonicContact OD1-NZ 3.76Å; D9-K197 PolarHBondContact OD1-NZ 2.9Å; T42-K197 HydrophobicContact CG2-CB 3.92Å; T42-K197 HydrophobicContact CG2-CD 4.15Å; T42-K197 HydrophobicContact CG2-CG 3.92Å; T42-K197 VanDerWaalsContact O-CE 3.28Å; T42-K197 WeakPolarHBondContact O-CE 3.45Å; N70-K197 PolarHBondContact O-N 2.67Å; N70-K197 VanDerWaalsContact O-N 3.08Å; N70-K197 WeakPolarHBondContact OD1-CE 3.31Å; K197-G200 PolarHBondContact O-N 2.86Å; K197-V201 WeakPolarHBondContact O-CG2 3.14Å; K197-V201 PolarHBondContact O-N 3.47Å; K197-N223 WeakPolarHBondContact CD-O 3.29Å; K197-N223 WeakPolarHBondContact CE-ND2 3.49Å; K197-N223 PolarHBondContact NZ-ND2 2.84Å; K197-N223 VanDerWaalsContact NZ-ND2 3.13Å; K197-D224 VanDerWaalsContact CD-OD1 3.25Å; K197-D224 WeakPolarHBondContact CD-OD1 3.28Å; K197-D224 WeakPolarHBondContact CE-OD1 3.42Å; K197-D224 IonicContact NZ-OD1 3.66Å; K197-D224 PolarHBondContact NZ-OD1 2.88Å; K197-M227 HydrophobicContact CB-CB 4.26Å; K197-M227 HydrophobicContact CB-CG 4.18Å; K197-M227 HydrophobicContact CB-SD 4Å; K197-M227 HydrophobicContact CD-CE 4.37Å; K197-M227 HydrophobicContact CD-SD 4.1Å
198G97.9Very high97.3Very high5 Ų537 Ų375%0.05219%0.185CC..Hα-helixtrans-61.8-45.9178.700000113.4N196 G200 V201 K202N196-G198 VanDerWaalsContact C-N 3.27Å; N196-G198 PolarHBondContact O-N 2.8Å; N196-G198 WeakPolarHBondContact OD1-CA 3.35Å; N196-G198 PolarHBondContact OD1-N 3.07Å; G198-G200 VanDerWaalsContact C-N 3.3Å; G198-G200 PolarHBondContact O-N 3.44Å; G198-V201 PolarHBondContact O-N 3.08Å; G198-K202 WeakPolarHBondContact O-CB 3.31Å; G198-K202 PolarHBondContact O-N 2.93Å
199T97.4Very high97.2Very high49 Ų4939.8 Ų39.830%0.30122%0.215SC..Hα-helixtrans-66.6-33.3175.358.50000112.2V195 N196 K202 S203V195-T199 WeakPolarHBondContact CA-OG1 3.19Å; N196-T199 PolarHBondContact N-OG1 2.98Å; N196-T199 PolarHBondContact O-N 3.3Å; N196-T199 PolarHBondContact O-OG1 3.05Å; N196-T199 PolarHBondContact OD1-N 3.45Å; T199-K202 PolarHBondContact O-N 3.24Å; T199-S203 WeakPolarHBondContact O-CB 3.38Å; T199-S203 PolarHBondContact O-N 3.03Å; T199-S203 PolarHBondContact O-OG 3.49Å
200G97.6Very high97.2Very high1 Ų140.2 Ų40.21%0.0122%0.217CC..Hα-helixtrans-59.8-52.7172.200000111.3I67 N196 K197 G198 K202 S203 L204I67-G200 VanDerWaalsContact CD1-C 3.49Å; N196-G200 PolarHBondContact O-N 2.88Å; K197-G200 PolarHBondContact O-N 2.86Å; G198-G200 VanDerWaalsContact C-N 3.3Å; G198-G200 PolarHBondContact O-N 3.44Å; G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 3.17Å; G200-S203 PolarHBondContact O-N 2.95Å; G200-S203 PolarHBondContact O-OG 3.05Å; G200-L204 PolarHBondContact O-N 2.9Å; G200-L204 VanDerWaalsContact O-N 3.11Å
201V98.4Very high97.2Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-60-44.7177.81760000110.6L5 A7 T42 I67 K197 G198 S203 L204 A205 I215 M227 Y230L5-V201 HydrophobicContact CD2-CG1 4.22Å; A7-V201 HydrophobicContact CB-CG1 4.28Å; A7-V201 HydrophobicContact CB-CG2 3.64Å; T42-V201 HydrophobicContact CG2-CG2 4.01Å; I67-V201 HydrophobicContact CD1-CB 4.37Å; I67-V201 HydrophobicContact CD1-CG2 3.79Å; K197-V201 WeakPolarHBondContact O-CG2 3.14Å; K197-V201 PolarHBondContact O-N 3.47Å; G198-V201 PolarHBondContact O-N 3.08Å; V201-S203 PolarHBondContact O-N 3.05Å; V201-L204 PolarHBondContact O-N 2.84Å; V201-A205 WeakPolarHBondContact O-CB 3.17Å; V201-A205 PolarHBondContact O-N 2.83Å; V201-I215 HydrophobicContact CG1-CD1 4.36Å; V201-I215 HydrophobicContact CG1-CG2 4.05Å; V201-M227 HydrophobicContact CG2-CB 4.15Å; V201-Y230 HydrophobicContact CB-CD1 4.39Å; V201-Y230 HydrophobicContact CG1-CD1 3.98Å; V201-Y230 HydrophobicContact CG1-CE1 3.95Å
202K97.7Very high97.2Very high90 Ų9048.5 Ų48.539%0.39126%0.26SS..Hα-helixtrans-58.1-48.3175.5-178.6-178.8-173.9-55.20112.4G198 T199 G200 L204 A205 D206 Y230G198-K202 WeakPolarHBondContact O-CB 3.31Å; G198-K202 PolarHBondContact O-N 2.93Å; T199-K202 PolarHBondContact O-N 3.24Å; G200-K202 VanDerWaalsContact C-N 3.33Å; G200-K202 PolarHBondContact O-N 3.17Å; K202-L204 VanDerWaalsContact C-N 3.26Å; K202-L204 PolarHBondContact O-N 3.25Å; K202-A205 PolarHBondContact O-N 2.89Å; K202-D206 IonicContact NZ-OD1 2.7Å; K202-D206 IonicContact NZ-OD2 3.09Å; K202-D206 PolarHBondContact NZ-OD2 3.16Å; K202-D206 VanDerWaalsContact O-CG 3.25Å; K202-D206 PolarHBondContact O-N 3.25Å; K202-Y230 HydrophobicContact CB-CD1 4.49Å; K202-Y230 HydrophobicContact CB-CD2 4.42Å; K202-Y230 HydrophobicContact CB-CE1 3.91Å; K202-Y230 HydrophobicContact CB-CE2 3.85Å; K202-Y230 HydrophobicContact CD-CE2 4.08Å; K202-Y230 HydrophobicContact CG-CE2 3.8Å
203S95.5Very high97.2Very high39 Ų3952.3 Ų52.327%0.27328%0.277SS..Hα-helixtrans-61.4-37.8-178.373.10000112T199 G200 V201 V207T199-S203 WeakPolarHBondContact O-CB 3.38Å; T199-S203 PolarHBondContact O-N 3.03Å; T199-S203 PolarHBondContact O-OG 3.49Å; G200-S203 PolarHBondContact O-N 2.95Å; G200-S203 PolarHBondContact O-OG 3.05Å; V201-S203 PolarHBondContact O-N 3.05Å; S203-V207 WeakPolarHBondContact O-CG2 3.45Å; S203-V207 PolarHBondContact O-N 2.98Å
204L96.9Very high97.2Very high2 Ų248 Ų481%0.0126%0.258CS..Hα-helixtrans-70.9-42.9176-17958.5000111.3L5 V40 Y65 I67 V74 G200 V201 K202 D206 V207 L208L5-L204 HydrophobicContact CD1-CD2 4.21Å; L5-L204 HydrophobicContact CD1-CG 4.33Å; V40-L204 HydrophobicContact CB-CD2 4.36Å; V40-L204 HydrophobicContact CG1-CD2 3.79Å; V40-L204 HydrophobicContact CG2-CD2 3.68Å; Y65-L204 HydrophobicContact CD1-CD1 3.58Å; Y65-L204 HydrophobicContact CD2-CD1 3.81Å; Y65-L204 HydrophobicContact CE1-CD1 3.83Å; Y65-L204 HydrophobicContact CE2-CD1 4.1Å; Y65-L204 HydrophobicContact CG-CD1 3.55Å; Y65-L204 HydrophobicContact CG-CD2 4.21Å; I67-L204 HydrophobicContact CD1-CD2 4.38Å; V74-L204 HydrophobicContact CG1-CB 4.47Å; V74-L204 HydrophobicContact CG1-CD1 4.46Å; G200-L204 PolarHBondContact O-N 2.9Å; G200-L204 VanDerWaalsContact O-N 3.11Å; V201-L204 PolarHBondContact O-N 2.84Å; K202-L204 VanDerWaalsContact C-N 3.26Å; K202-L204 PolarHBondContact O-N 3.25Å; L204-D206 VanDerWaalsContact C-N 3.34Å; L204-D206 PolarHBondContact O-N 2.85Å; L204-V207 PolarHBondContact O-N 2.84Å; L204-L208 HydrophobicContact CD1-CD1 3.92Å; L204-L208 HydrophobicContact CD1-CG 4.2Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 2.99Å
205A97.3Very high97.3Very high0 Ų040 Ų400%023%0.228CC..Hα-helixtrans-60.6-42.617700000112.2V201 K202 V207 L208 G209 I210 I215V201-A205 WeakPolarHBondContact O-CB 3.17Å; V201-A205 PolarHBondContact O-N 2.83Å; K202-A205 PolarHBondContact O-N 2.89Å; A205-V207 VanDerWaalsContact C-N 3.35Å; A205-V207 PolarHBondContact O-N 2.66Å; A205-L208 CarbonylContact O-C 3.46Å; A205-L208 PolarHBondContact O-N 2.81Å; A205-G209 PolarHBondContact O-N 2.77Å; A205-I210 HydrophobicContact CB-CB 4.35Å; A205-I210 PolarHBondContact O-N 3.07Å; A205-I215 HydrophobicContact CB-CD1 3.57Å
206D95.7Very high97.3Very high94 Ų9439.6 Ų39.650%0.50323%0.226SC..Hα-helixtrans-60-43.7176.5-70.1-21.3000111.2K202 L204 L208 G209K202-D206 IonicContact NZ-OD1 2.7Å; K202-D206 IonicContact NZ-OD2 3.09Å; K202-D206 PolarHBondContact NZ-OD2 3.16Å; K202-D206 VanDerWaalsContact O-CG 3.25Å; K202-D206 PolarHBondContact O-N 3.25Å; L204-D206 VanDerWaalsContact C-N 3.34Å; L204-D206 PolarHBondContact O-N 2.85Å; D206-L208 VanDerWaalsContact C-N 3.33Å; D206-L208 PolarHBondContact O-N 2.89Å; D206-G209 PolarHBondContact O-N 2.98Å
207V92.4Very high97.4Very high96 Ų9638 Ų3858%0.58222%0.217SC*.Hα-helixtrans-65.7-35177.4170.80000112S203 L204 A205S203-V207 WeakPolarHBondContact O-CG2 3.45Å; S203-V207 PolarHBondContact O-N 2.98Å; L204-V207 PolarHBondContact O-N 2.84Å; A205-V207 VanDerWaalsContact C-N 3.35Å; A205-V207 PolarHBondContact O-N 2.66Å
208L95.6Very high97.4Very high56 Ų5638 Ų3829%0.29322%0.217SC..Hα-helixtrans-87.6-5-180-65176.1000113.5L5 Y65 L204 A205 D206 I210L5-L208 HydrophobicContact CD1-CD1 4.21Å; Y65-L208 HydrophobicContact CE2-CD1 4.44Å; Y65-L208 HydrophobicContact CE2-CD2 3.97Å; L204-L208 HydrophobicContact CD1-CD1 3.92Å; L204-L208 HydrophobicContact CD1-CG 4.2Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 2.99Å; A205-L208 CarbonylContact O-C 3.46Å; A205-L208 PolarHBondContact O-N 2.81Å; D206-L208 VanDerWaalsContact C-N 3.33Å; D206-L208 PolarHBondContact O-N 2.89Å; L208-I210 VanDerWaalsContact C-N 3.28Å; L208-I210 HydrophobicContact CB-CD1 3.78Å; L208-I210 HydrophobicContact CB-CG1 3.83Å; L208-I210 HydrophobicContact CD1-CD1 3.99Å; L208-I210 PolarHBondContact O-N 2.99Å
209G97.2Very high97.5Very high63 Ų6337.7 Ų37.765%0.64921%0.214SC*.THydrogen-bonded Turntrans64.131.7-174.900000113.5A205 D206A205-G209 PolarHBondContact O-N 2.77Å; D206-G209 PolarHBondContact O-N 2.98Å
210I98.2Very high97.5Very high13 Ų1335.7 Ų35.77%0.06720%0.202CC..  trans-96.3130.3-179.8-62.5177.2000109K4 L5 A205 L208 E214 I215K4-I210 HydrophobicContact CB-CD1 4.07Å; K4-I210 HydrophobicContact CB-CG1 4.33Å; K4-I210 HydrophobicContact CB-CG2 4.18Å; L5-I210 HydrophobicContact CB-CD1 3.94Å; L5-I210 HydrophobicContact CB-CG2 4.36Å; L5-I210 HydrophobicContact CD1-CD1 4.18Å; A205-I210 HydrophobicContact CB-CB 4.35Å; A205-I210 PolarHBondContact O-N 3.07Å; L208-I210 VanDerWaalsContact C-N 3.28Å; L208-I210 HydrophobicContact CB-CD1 3.78Å; L208-I210 HydrophobicContact CB-CG1 3.83Å; L208-I210 HydrophobicContact CD1-CD1 3.99Å; L208-I210 PolarHBondContact O-N 2.99Å; I210-E214 HydrophobicContact CG2-CB 3.84Å; I210-I215 HydrophobicContact CG2-CD1 4.32Å; I210-I215 HydrophobicContact CG2-CG1 3.78Å
211K98.2Very high97.5Very high115 Ų11537.5 Ų37.550%0.521%0.21SC..  trans-81.2154178.5-66.5176.3179.3179.80111.2M1 E213 E214M1-K211 HydrophobicContact CE-CD 4.15Å; K211-E213 HydrophobicContact CB-CG 4.2Å; K211-E213 PolarHBondContact O-N 3.41Å; K211-E213 VanDerWaalsContact O-N 3.14Å; K211-E214 HydrophobicContact CB-CG 4.31Å; K211-E214 PolarHBondContact N-OE2 3.45Å; K211-E214 WeakPolarHBondContact O-CB 3.3Å; K211-E214 PolarHBondContact O-N 3.27Å
212P98.1Very high97.4Very high61 Ų6140.9 Ų40.940%0.39623%0.226SC..G310 helixtrans-51.7-40176.6-27.935.2000113.7E214 I215 Y230 G232P212-E214 PolarHBondContact O-N 2.58Å; P212-E214 VanDerWaalsContact O-N 3.11Å; P212-I215 WeakPolarHBondContact O-CB 3.49Å; P212-I215 PolarHBondContact O-N 3.11Å; P212-Y230 HydrophobicContact CB-CE2 4.48Å; P212-Y230 HydrophobicContact CG-CE2 4.08Å; P212-G232 WeakPolarHBondContact O-CA 3.34Å; P212-G232 PolarHBondContact O-N 3.32Å
213E98.2Very high97.3Very high99 Ų9937 Ų3746%0.46321%0.209SC..G310 helixtrans-68.8-5.6179.676.7-160.3-177.800114.8M1 K211M1-E213 HydrophobicContact CE-CG 3.57Å; M1-E213 WeakPolarHBondContact CE-OE1 3.31Å; K211-E213 HydrophobicContact CB-CG 4.2Å; K211-E213 PolarHBondContact O-N 3.41Å; K211-E213 VanDerWaalsContact O-N 3.14Å
214E98.6Very high97.5Very high14 Ų1435.1 Ų35.17%0.06520%0.196CC..G310 helixtrans-1067.9174.8-57.1176.1126.700111.8M1 I3 K4 L5 I210 K211 P212M1-E214 HydrophobicContact CB-CG 4.28Å; M1-E214 HydrophobicContact CE-CG 3.41Å; M1-E214 VanDerWaalsContact CE-CG 3.41Å; M1-E214 WeakPolarHBondContact CE-OE1 3.35Å; I3-E214 CarbonylContact C-O 3.53Å; I3-E214 WeakPolarHBondContact CA-O 3.23Å; K4-E214 HydrophobicContact CB-CB 4.25Å; K4-E214 HydrophobicContact CD-CB 4.45Å; K4-E214 WeakPolarHBondContact CD-OE1 3.41Å; K4-E214 WeakPolarHBondContact CE-OE1 3.5Å; K4-E214 HydrophobicContact CG-CB 4.33Å; K4-E214 PolarHBondContact N-O 3.05Å; K4-E214 IonicContact NZ-OE1 3.74Å; K4-E214 PolarHBondContact NZ-OE1 3.46Å; K4-E214 IonicContact NZ-OE2 2.75Å; L5-E214 PolarHBondContact N-O 3.31Å; I210-E214 HydrophobicContact CG2-CB 3.84Å; K211-E214 HydrophobicContact CB-CG 4.31Å; K211-E214 PolarHBondContact N-OE2 3.45Å; K211-E214 WeakPolarHBondContact O-CB 3.3Å; K211-E214 PolarHBondContact O-N 3.27Å; P212-E214 PolarHBondContact O-N 2.58Å; P212-E214 VanDerWaalsContact O-N 3.11Å
215I98.8Very high97.5Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-110.5134.4-177.4-57.2174.8000109.8L5 V201 A205 I210 P212 Y230 A231 G232 V233L5-I215 HydrophobicContact CB-CG1 4.31Å; L5-I215 HydrophobicContact CD2-CG2 3.84Å; L5-I215 WeakPolarHBondContact O-CA 3.3Å; V201-I215 HydrophobicContact CG1-CD1 4.36Å; V201-I215 HydrophobicContact CG1-CG2 4.05Å; A205-I215 HydrophobicContact CB-CD1 3.57Å; I210-I215 HydrophobicContact CG2-CD1 4.32Å; I210-I215 HydrophobicContact CG2-CG1 3.78Å; P212-I215 WeakPolarHBondContact O-CB 3.49Å; P212-I215 PolarHBondContact O-N 3.11Å; I215-Y230 HydrophobicContact CD1-CD1 4.45Å; I215-Y230 HydrophobicContact CD1-CE1 3.59Å; I215-A231 HydrophobicContact CB-CB 4.29Å; I215-A231 HydrophobicContact CG2-CB 3.87Å; I215-G232 PolarHBondContact O-N 3.35Å; I215-V233 PolarHBondContact O-N 3.45Å
216M98.8Very high97.6Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-109.4134.5163.5-178.1167.966.400109.2I3 L5 I6 A7 I218 V233 V235 I264 Y267 V268I3-M216 HydrophobicContact CD1-CB 4.18Å; I3-M216 HydrophobicContact CG1-CB 4.48Å; I3-M216 HydrophobicContact CG2-CB 4.09Å; L5-M216 PolarHBondContact O-N 2.96Å; I6-M216 CarbonylContact C-O 3.54Å; I6-M216 VanDerWaalsContact CA-O 3.29Å; I6-M216 WeakPolarHBondContact CA-O 3.46Å; I6-M216 HydrophobicContact CB-CE 4.37Å; I6-M216 HydrophobicContact CD1-CE 3.77Å; I6-M216 HydrophobicContact CG1-CE 3.93Å; I6-M216 HydrophobicContact CG2-CB 4.39Å; I6-M216 HydrophobicContact CG2-CE 3.54Å; I6-M216 HydrophobicContact CG2-CG 4.48Å; A7-M216 PolarHBondContact N-O 2.83Å; M216-I218 HydrophobicContact CE-CD1 4.26Å; M216-I218 HydrophobicContact CG-CG1 4.34Å; M216-V233 CarbonylContact C-O 3.42Å; M216-V233 VanDerWaalsContact CA-O 3.24Å; M216-V233 WeakPolarHBondContact CA-O 3.3Å; M216-V233 HydrophobicContact CB-CB 4.23Å; M216-V233 HydrophobicContact CG-CB 4.19Å; M216-V233 HydrophobicContact CG-CG1 4.12Å; M216-V233 WeakPolarHBondContact CG-O 3.49Å; M216-V233 HydrophobicContact SD-CG1 4.29Å; M216-V235 HydrophobicContact CG-CG2 3.98Å; M216-V235 HydrophobicContact SD-CG2 4.09Å; M216-I264 HydrophobicContact CE-CG1 4.06Å; M216-Y267 HydrophobicContact SD-CD2 4.03Å; M216-Y267 HydrophobicContact SD-CG 4.2Å; M216-V268 HydrophobicContact CE-CG2 4.09Å
217A98.9Very high97.7Very high0 Ų033.6 Ų33.60%019%0.192CC..EExtended strand (participates in β ladder)trans-124.8134.6173.700000110.3A7 M227 A231 V233 V235A7-A217 HydrophobicContact CB-CB 4.27Å; A7-A217 CarbonylContact O-C 2.87Å; A7-A217 VanDerWaalsContact O-CA 3.31Å; A7-A217 WeakPolarHBondContact O-CA 3.33Å; A217-M227 HydrophobicContact CB-CB 4.28Å; A217-M227 HydrophobicContact CB-CG 4.15Å; A217-M227 VanDerWaalsContact CB-O 3.31Å; A217-M227 WeakPolarHBondContact CB-O 3.4Å; A217-M227 HydrophobicContact CB-SD 4.48Å; A217-A231 HydrophobicContact CB-CB 3.55Å; A217-V233 PolarHBondContact N-O 2.96Å; A217-V235 PolarHBondContact O-N 2.96Å
218I98.9Very high98Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-124.5127.1-176.8-41.9179.2000109.2I6 A7 I8 D9 T13 M216 M227 V235 M237 V260 A263I6-I218 HydrophobicContact CG2-CD1 4.26Å; A7-I218 PolarHBondContact O-N 3.23Å; I8-I218 HydrophobicContact CG1-CD1 4.4Å; I8-I218 HydrophobicContact CG2-CB 4.47Å; D9-I218 PolarHBondContact N-O 2.86Å; T13-I218 HydrophobicContact CG2-CB 4.18Å; T13-I218 HydrophobicContact CG2-CG2 3.75Å; M216-I218 HydrophobicContact CE-CD1 4.26Å; M216-I218 HydrophobicContact CG-CG1 4.34Å; I218-M227 VanDerWaalsContact O-CE 3.23Å; I218-M227 WeakPolarHBondContact O-CE 3.4Å; I218-V235 WeakPolarHBondContact CA-O 3.26Å; I218-V235 HydrophobicContact CB-CB 4.42Å; I218-V235 HydrophobicContact CG1-CB 4.13Å; I218-V235 HydrophobicContact CG2-CB 4.21Å; I218-V235 HydrophobicContact CG2-CG1 4.1Å; I218-M237 HydrophobicContact CG2-CG 4.3Å; I218-M237 HydrophobicContact CG2-SD 3.62Å; I218-V260 HydrophobicContact CD1-CG1 4.25Å; I218-V260 HydrophobicContact CG2-CG2 4.36Å; I218-A263 HydrophobicContact CD1-CB 4.03Å
219G98.6Very high98.1Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-160.4179.3179.100000114.1T13 D224 V235 M237T13-G219 WeakPolarHBondContact OG1-CA 3.4Å; G219-D224 WeakPolarHBondContact CA-OD2 3.26Å; G219-V235 PolarHBondContact N-O 3.07Å; G219-M237 PolarHBondContact O-N 2.86Å; G219-M237 VanDerWaalsContact O-N 3.09Å
220D98.3Very high98.2Very high6 Ų631.5 Ų31.53%0.03216%0.156CC..  trans-140.3-17.1-174.876.5-72.3000115.9T13 D224 M237 A240 I241T13-D220 PolarHBondContact OG1-N 3.03Å; T13-D220 PolarHBondContact OG1-OD1 2.6Å; D220-D224 PolarHBondContact N-OD2 2.79Å; D220-M237 HydrophobicContact CB-CB 4.08Å; D220-M237 HydrophobicContact CB-CG 4.21Å; D220-A240 HydrophobicContact CB-CB 3.89Å; D220-A240 VanDerWaalsContact O-CA 3.24Å; D220-A240 WeakPolarHBondContact O-CA 3.45Å; D220-A240 WeakPolarHBondContact O-CB 3.4Å; D220-I241 PolarHBondContact O-N 3.35Å
221Q96.7Very high98.2Very high40 Ų4031.2 Ų31.219%0.18716%0.155CC..SBendtrans-117.9172.4-174.9-72.4-64.3-18.100114.2N223 D224 V244Q221-N223 WeakPolarHBondContact CB-OD1 3.29Å; Q221-N223 PolarHBondContact O-N 2.97Å; Q221-D224 PolarHBondContact N-OD2 2.7Å; Q221-D224 VanDerWaalsContact O-CB 3.28Å; Q221-D224 WeakPolarHBondContact O-CB 3.46Å; Q221-D224 PolarHBondContact O-N 2.95Å; Q221-V244 WeakPolarHBondContact O-CG2 3.39Å
222E96.4Very high98.2Very high71 Ų7127.5 Ų27.533%0.33215%0.15SC..G310 helixtrans-55.8-36.4-176.6-171.2-174.5-165.100112.9L181 K182 D224 I225 I241L181-E222 HydrophobicContact CD2-CG 4.02Å; K182-E222 PolarHBondContact N-OE2 2.99Å; E222-D224 PolarHBondContact O-N 3.02Å; E222-I225 HydrophobicContact CG-CD1 4.2Å; E222-I225 WeakPolarHBondContact O-CG1 3.49Å; E222-I225 PolarHBondContact O-N 2.97Å; E222-I241 HydrophobicContact CB-CD1 4.09Å
223N96.5Very high98.2Very high7 Ų725.7 Ų25.74%0.03714%0.137CC..G310 helixtrans-67.4-11.9176.565-27.7000114.5N70 L181 K182 K197 Q221N70-N223 PolarHBondContact OD1-ND2 2.63Å; L181-N223 HydrophobicContact CB-CB 4.35Å; L181-N223 HydrophobicContact CD1-CB 4.44Å; K182-N223 PolarHBondContact O-N 3.34Å; K197-N223 WeakPolarHBondContact CD-O 3.29Å; K197-N223 WeakPolarHBondContact CE-ND2 3.49Å; K197-N223 PolarHBondContact NZ-ND2 2.84Å; K197-N223 VanDerWaalsContact NZ-ND2 3.13Å; Q221-N223 WeakPolarHBondContact CB-OD1 3.29Å; Q221-N223 PolarHBondContact O-N 2.97Å
224D98.4Very high98.3Very high0 Ų021 Ų210%012%0.115CC..G310 helixtrans-90.1-19.9178-60.1-43.4000113.8K197 G219 D220 Q221 E222 A226 M227 I228K197-D224 VanDerWaalsContact CD-OD1 3.25Å; K197-D224 WeakPolarHBondContact CD-OD1 3.28Å; K197-D224 WeakPolarHBondContact CE-OD1 3.42Å; K197-D224 IonicContact NZ-OD1 3.66Å; K197-D224 PolarHBondContact NZ-OD1 2.88Å; G219-D224 WeakPolarHBondContact CA-OD2 3.26Å; D220-D224 PolarHBondContact N-OD2 2.79Å; Q221-D224 PolarHBondContact N-OD2 2.7Å; Q221-D224 VanDerWaalsContact O-CB 3.28Å; Q221-D224 WeakPolarHBondContact O-CB 3.46Å; Q221-D224 PolarHBondContact O-N 2.95Å; E222-D224 PolarHBondContact O-N 3.02Å; D224-A226 VanDerWaalsContact C-N 3.27Å; D224-A226 PolarHBondContact O-N 3.09Å; D224-M227 HydrophobicContact CB-CE 3.81Å; D224-M227 WeakPolarHBondContact O-CG 3.23Å; D224-M227 PolarHBondContact O-N 3.06Å; D224-M227 VanDerWaalsContact OD1-CE 3.22Å; D224-M227 WeakPolarHBondContact OD1-CE 3.35Å; D224-I228 HydrophobicContact CB-CD1 3.94Å; D224-I228 WeakPolarHBondContact O-CG1 3.34Å; D224-I228 PolarHBondContact O-N 3.4Å
225I98.2Very high98.3Very high35 Ų3520.3 Ų20.318%0.17911%0.112CC..Hα-helixtrans-50.3-49.4-175.4-68.1176.2000110.8E222 M227 I228 E229 V244 V247E222-I225 HydrophobicContact CG-CD1 4.2Å; E222-I225 WeakPolarHBondContact O-CG1 3.49Å; E222-I225 PolarHBondContact O-N 2.97Å; I225-M227 VanDerWaalsContact C-N 3.32Å; I225-M227 PolarHBondContact O-N 3.4Å; I225-I228 PolarHBondContact O-N 2.83Å; I225-E229 HydrophobicContact CG2-CG 4.3Å; I225-E229 WeakPolarHBondContact O-CG 3.41Å; I225-E229 PolarHBondContact O-N 3.4Å; I225-V244 HydrophobicContact CD1-CG2 4.27Å; I225-V244 HydrophobicContact CG1-CG2 3.68Å; I225-V247 HydrophobicContact CG2-CG1 4.45Å; I225-V247 HydrophobicContact CG2-CG2 4.21Å
226A98.1Very high98.3Very high29 Ų2920.3 Ų20.324%0.2411%0.112CC..Hα-helixtrans-62.9-32.2-176.600000114D224 Y230D224-A226 VanDerWaalsContact C-N 3.27Å; D224-A226 PolarHBondContact O-N 3.09Å; A226-Y230 VanDerWaalsContact O-CB 3.28Å; A226-Y230 WeakPolarHBondContact O-CB 3.34Å; A226-Y230 PolarHBondContact O-N 3.13Å
227M98.5Very high98.3Very high0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-82.8-32.1176.465.8172.1-16800112.3A7 D9 T42 K197 V201 A217 I218 D224 I225 Y230 A231A7-M227 HydrophobicContact CB-SD 4.48Å; D9-M227 HydrophobicContact CB-CE 4.08Å; T42-M227 HydrophobicContact CG2-SD 3.69Å; K197-M227 HydrophobicContact CB-CB 4.26Å; K197-M227 HydrophobicContact CB-CG 4.18Å; K197-M227 HydrophobicContact CB-SD 4Å; K197-M227 HydrophobicContact CD-CE 4.37Å; K197-M227 HydrophobicContact CD-SD 4.1Å; V201-M227 HydrophobicContact CG2-CB 4.15Å; A217-M227 HydrophobicContact CB-CB 4.28Å; A217-M227 HydrophobicContact CB-CG 4.15Å; A217-M227 VanDerWaalsContact CB-O 3.31Å; A217-M227 WeakPolarHBondContact CB-O 3.4Å; A217-M227 HydrophobicContact CB-SD 4.48Å; I218-M227 VanDerWaalsContact O-CE 3.23Å; I218-M227 WeakPolarHBondContact O-CE 3.4Å; D224-M227 HydrophobicContact CB-CE 3.81Å; D224-M227 WeakPolarHBondContact O-CG 3.23Å; D224-M227 PolarHBondContact O-N 3.06Å; D224-M227 VanDerWaalsContact OD1-CE 3.22Å; D224-M227 WeakPolarHBondContact OD1-CE 3.35Å; I225-M227 VanDerWaalsContact C-N 3.32Å; I225-M227 PolarHBondContact O-N 3.4Å; M227-Y230 PolarHBondContact O-N 2.86Å; M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 2.77Å
228I98.8Very high98.3Very high1 Ų124.1 Ų24.11%0.00513%0.132CC..Hα-helixtrans-66.2-43.8175.7-71.6170.8000110.4D224 I225 G234 V244 V247 A248D224-I228 HydrophobicContact CB-CD1 3.94Å; D224-I228 WeakPolarHBondContact O-CG1 3.34Å; D224-I228 PolarHBondContact O-N 3.4Å; I225-I228 PolarHBondContact O-N 2.83Å; I228-G234 WeakPolarHBondContact O-CA 3.37Å; I228-V244 HydrophobicContact CD1-CG1 3.49Å; I228-V244 VanDerWaalsContact CD1-CG1 3.49Å; I228-V247 HydrophobicContact CG2-CG2 3.9Å; I228-A248 HydrophobicContact CG2-CB 4.02Å
229E98.6Very high98.3Very high124 Ų12426.9 Ų26.958%0.57915%0.147SC*.Hα-helixtrans-68.1-33.4175.5-71-179.5136.400113I225 V247I225-E229 HydrophobicContact CG2-CG 4.3Å; I225-E229 WeakPolarHBondContact O-CG 3.41Å; I225-E229 PolarHBondContact O-N 3.4Å; E229-V247 HydrophobicContact CG-CB 3.82Å; E229-V247 HydrophobicContact CG-CG1 4.13Å; E229-V247 HydrophobicContact CG-CG2 4.16Å
230Y98.5Very high98.2Very high47 Ų4727.3 Ų27.318%0.18415%0.151CC..Hα-helixtrans-72.9-36.8179.7173.1-105.4000112.7V201 K202 P212 I215 A226 M227V201-Y230 HydrophobicContact CB-CD1 4.39Å; V201-Y230 HydrophobicContact CG1-CD1 3.98Å; V201-Y230 HydrophobicContact CG1-CE1 3.95Å; K202-Y230 HydrophobicContact CB-CD1 4.49Å; K202-Y230 HydrophobicContact CB-CD2 4.42Å; K202-Y230 HydrophobicContact CB-CE1 3.91Å; K202-Y230 HydrophobicContact CB-CE2 3.85Å; K202-Y230 HydrophobicContact CD-CE2 4.08Å; K202-Y230 HydrophobicContact CG-CE2 3.8Å; P212-Y230 HydrophobicContact CB-CE2 4.48Å; P212-Y230 HydrophobicContact CG-CE2 4.08Å; I215-Y230 HydrophobicContact CD1-CD1 4.45Å; I215-Y230 HydrophobicContact CD1-CE1 3.59Å; A226-Y230 VanDerWaalsContact O-CB 3.28Å; A226-Y230 WeakPolarHBondContact O-CB 3.34Å; A226-Y230 PolarHBondContact O-N 3.13Å; M227-Y230 PolarHBondContact O-N 2.86Å
231A98.7Very high98.2Very high6 Ų629.3 Ų29.35%0.0516%0.161CC..SBendtrans-70.8141.6-178.100000111.8I215 A217 M227 V233I215-A231 HydrophobicContact CB-CB 4.29Å; I215-A231 HydrophobicContact CG2-CB 3.87Å; A217-A231 HydrophobicContact CB-CB 3.55Å; M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 2.77Å; A231-V233 PolarHBondContact O-N 2.71Å
232G98.3Very high98.2Very high38 Ų3831.9 Ų31.939%0.39218%0.181SC..SBendtrans-64-22.8172.400000113.6P212 I215P212-G232 WeakPolarHBondContact O-CA 3.34Å; P212-G232 PolarHBondContact O-N 3.32Å; I215-G232 PolarHBondContact O-N 3.35Å
233V98.6Very high98.3Very high22 Ų2230.7 Ų30.713%0.13318%0.181CC..EExtended strand (participates in β ladder)trans-127.487.7168.6-174.60000109I3 I215 M216 A217 A231 V235 Y267I3-V233 HydrophobicContact CD1-CB 4.46Å; I3-V233 HydrophobicContact CD1-CG2 3.95Å; I215-V233 PolarHBondContact O-N 3.45Å; M216-V233 CarbonylContact C-O 3.42Å; M216-V233 VanDerWaalsContact CA-O 3.24Å; M216-V233 WeakPolarHBondContact CA-O 3.3Å; M216-V233 HydrophobicContact CB-CB 4.23Å; M216-V233 HydrophobicContact CG-CB 4.19Å; M216-V233 HydrophobicContact CG-CG1 4.12Å; M216-V233 WeakPolarHBondContact CG-O 3.49Å; M216-V233 HydrophobicContact SD-CG1 4.29Å; A217-V233 PolarHBondContact N-O 2.96Å; A231-V233 PolarHBondContact O-N 2.71Å; V233-V235 HydrophobicContact CG1-CG2 3.97Å; V233-Y267 HydrophobicContact CG1-CD1 3.86Å; V233-Y267 HydrophobicContact CG1-CD2 4.08Å; V233-Y267 HydrophobicContact CG1-CE1 3.75Å; V233-Y267 HydrophobicContact CG1-CE2 4Å; V233-Y267 HydrophobicContact CG1-CG 4.03Å; V233-Y267 HydrophobicContact CG2-CD1 4.26Å; V233-Y267 HydrophobicContact CG2-CE1 4.42Å
234G98.8Very high98.4Very high0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-77.5126.6168.900000111.3I228 N249 F250I228-G234 WeakPolarHBondContact O-CA 3.37Å; G234-N249 PolarHBondContact N-OD1 2.83Å; G234-N249 PolarHBondContact O-N 3.4Å; G234-F250 PolarHBondContact O-N 2.84Å
235V98.9Very high98.4Very high0 Ų033.5 Ų33.50%019%0.193CC..EExtended strand (participates in β ladder)trans-122.7124.6-177.5-175.80000110.2M216 A217 I218 G219 V233 F250 T252 A263M216-V235 HydrophobicContact CG-CG2 3.98Å; M216-V235 HydrophobicContact SD-CG2 4.09Å; A217-V235 PolarHBondContact O-N 2.96Å; I218-V235 WeakPolarHBondContact CA-O 3.26Å; I218-V235 HydrophobicContact CB-CB 4.42Å; I218-V235 HydrophobicContact CG1-CB 4.13Å; I218-V235 HydrophobicContact CG2-CB 4.21Å; I218-V235 HydrophobicContact CG2-CG1 4.1Å; G219-V235 PolarHBondContact N-O 3.07Å; V233-V235 HydrophobicContact CG1-CG2 3.97Å; V235-F250 VanDerWaalsContact CA-O 3.29Å; V235-F250 WeakPolarHBondContact CA-O 3.27Å; V235-F250 HydrophobicContact CG1-CD1 4.07Å; V235-T252 HydrophobicContact CG1-CG2 3.65Å; V235-A263 HydrophobicContact CG1-CB 4.09Å
236A98.9Very high98.4Very high0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-96.7138.6169.300000110.2A240 V244 K245 A248 F250 V251 T252A236-A240 HydrophobicContact CB-CB 4.16Å; A236-V244 HydrophobicContact CB-CG1 3.86Å; A236-K245 HydrophobicContact CB-CB 4.43Å; A236-K245 HydrophobicContact CB-CG 4Å; A236-A248 HydrophobicContact CB-CB 3.59Å; A236-F250 PolarHBondContact N-O 3.34Å; A236-V251 HydrophobicContact CB-CG2 4.43Å; A236-V251 CarbonylContact O-C 3.55Å; A236-V251 WeakPolarHBondContact O-CA 3.47Å; A236-T252 PolarHBondContact O-N 3.34Å
237M98.8Very high98.4Very high0 Ų040.2 Ų40.20%022%0.221CC..  trans-68.4154.7167.9-59-63.7-69.500110.8T13 I218 G219 D220 N239 A240 T252 N255 V260T13-M237 HydrophobicContact CG2-CG 3.96Å; T13-M237 HydrophobicContact CG2-SD 3.99Å; I218-M237 HydrophobicContact CG2-CG 4.3Å; I218-M237 HydrophobicContact CG2-SD 3.62Å; G219-M237 PolarHBondContact O-N 2.86Å; G219-M237 VanDerWaalsContact O-N 3.09Å; D220-M237 HydrophobicContact CB-CB 4.08Å; D220-M237 HydrophobicContact CB-CG 4.21Å; M237-N239 WeakPolarHBondContact CB-OD1 3.44Å; M237-N239 PolarHBondContact O-N 3.35Å; M237-A240 WeakPolarHBondContact O-CB 3.43Å; M237-A240 PolarHBondContact O-N 3.2Å; M237-T252 HydrophobicContact CE-CG2 4.47Å; M237-T252 HydrophobicContact SD-CG2 3.55Å; M237-T252 VanDerWaalsContact SD-CG2 3.55Å; M237-N255 VanDerWaalsContact CE-CA 3.47Å; M237-N255 HydrophobicContact CE-CB 3.87Å; M237-N255 VanDerWaalsContact CE-N 3.28Å; M237-V260 HydrophobicContact CE-CG2 4.32Å; M237-V260 HydrophobicContact SD-CG2 4.17Å
238D98.7Very high98.4Very high80 Ų8041.1 Ų41.143%0.42823%0.229SC..THydrogen-bonded Turntrans-67.3-24.5176.9-168.143.7000112.9A240 K245 T252 K253D238-A240 PolarHBondContact O-N 2.99Å; D238-K245 WeakPolarHBondContact O-CE 3.44Å; D238-K245 PolarHBondContact O-NZ 3.3Å; D238-K245 IonicContact OD1-NZ 3.69Å; D238-K245 PolarHBondContact OD1-NZ 2.95Å; D238-T252 WeakPolarHBondContact CB-O 3.35Å; D238-T252 PolarHBondContact N-O 3.32Å; D238-K253 PolarHBondContact N-O 3.27Å; D238-K253 VanDerWaalsContact N-O 3.13Å
239N98.3Very high98.4Very high58 Ų5846.1 Ų46.131%0.3126%0.256SS..THydrogen-bonded Turntrans-81.93.4171.857.8-81.6000113.7G12 M237 S254 N255G12-N239 PolarHBondContact O-ND2 2.98Å; M237-N239 WeakPolarHBondContact CB-OD1 3.44Å; M237-N239 PolarHBondContact O-N 3.35Å; N239-S254 WeakPolarHBondContact OD1-CA 3.38Å; N239-N255 PolarHBondContact OD1-N 3.26Å; N239-N255 PolarHBondContact OD1-OD1 3.31Å
240A98.1Very high98.4Very high10 Ų1042 Ų428%0.08324%0.236CC..SBendtrans-67.4153.118000000113.2D220 A236 M237 D238 V244 K245D220-A240 HydrophobicContact CB-CB 3.89Å; D220-A240 VanDerWaalsContact O-CA 3.24Å; D220-A240 WeakPolarHBondContact O-CA 3.45Å; D220-A240 WeakPolarHBondContact O-CB 3.4Å; A236-A240 HydrophobicContact CB-CB 4.16Å; M237-A240 WeakPolarHBondContact O-CB 3.43Å; M237-A240 PolarHBondContact O-N 3.2Å; D238-A240 PolarHBondContact O-N 2.99Å; A240-V244 HydrophobicContact CB-CB 4.12Å; A240-V244 HydrophobicContact CB-CG1 3.93Å; A240-K245 HydrophobicContact CB-CG 4.09Å; A240-K245 WeakPolarHBondContact O-CE 3.47Å
241I97.1Very high98.4Very high47 Ų4742.4 Ų42.424%0.24124%0.243CC..  trans-64.2154.1172.765.6174.5000111.2D220 E222 S243 V244 K245D220-I241 PolarHBondContact O-N 3.35Å; E222-I241 HydrophobicContact CB-CD1 4.09Å; I241-S243 VanDerWaalsContact C-N 3.33Å; I241-S243 VanDerWaalsContact CD1-OG 3.24Å; I241-S243 WeakPolarHBondContact CD1-OG 3.4Å; I241-S243 PolarHBondContact O-N 2.92Å; I241-V244 HydrophobicContact CD1-CG2 4.02Å; I241-V244 HydrophobicContact CG1-CB 4.04Å; I241-V244 HydrophobicContact CG1-CG2 3.51Å; I241-V244 PolarHBondContact O-N 2.95Å; I241-V244 VanDerWaalsContact O-N 3.07Å; I241-K245 PolarHBondContact O-N 3.23Å
242P98.2Very high98.4Very high95 Ų9542.4 Ų42.462%0.61724%0.242SC*.Hα-helixtrans-54.1-43.4-176-29.336.3000114.4V244 K245 E246P242-V244 PolarHBondContact O-N 3.26Å; P242-K245 PolarHBondContact O-N 3.02Å; P242-K245 VanDerWaalsContact O-N 3.1Å; P242-E246 WeakPolarHBondContact O-CG 3.47Å; P242-E246 PolarHBondContact O-N 3.47Å
243S97.9Very high98.5Very high46 Ų4644.6 Ų44.632%0.32224%0.241SC..Hα-helixtrans-62.2-29.5-179.650.70000113.5I241I241-S243 VanDerWaalsContact C-N 3.33Å; I241-S243 VanDerWaalsContact CD1-OG 3.24Å; I241-S243 WeakPolarHBondContact CD1-OG 3.4Å; I241-S243 PolarHBondContact O-N 2.92Å
244V98.3Very high98.5Very high0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-74.3-41.8174.9172.70000110.8Q221 I225 I228 A236 A240 I241 P242 E246 V247 A248Q221-V244 WeakPolarHBondContact O-CG2 3.39Å; I225-V244 HydrophobicContact CD1-CG2 4.27Å; I225-V244 HydrophobicContact CG1-CG2 3.68Å; I228-V244 HydrophobicContact CD1-CG1 3.49Å; I228-V244 VanDerWaalsContact CD1-CG1 3.49Å; A236-V244 HydrophobicContact CB-CG1 3.86Å; A240-V244 HydrophobicContact CB-CB 4.12Å; A240-V244 HydrophobicContact CB-CG1 3.93Å; I241-V244 HydrophobicContact CD1-CG2 4.02Å; I241-V244 HydrophobicContact CG1-CB 4.04Å; I241-V244 HydrophobicContact CG1-CG2 3.51Å; I241-V244 PolarHBondContact O-N 2.95Å; I241-V244 VanDerWaalsContact O-N 3.07Å; P242-V244 PolarHBondContact O-N 3.26Å; V244-E246 VanDerWaalsContact C-N 3.28Å; V244-E246 PolarHBondContact O-N 3.28Å; V244-V247 VanDerWaalsContact O-CG2 3.29Å; V244-V247 WeakPolarHBondContact O-CG2 3.44Å; V244-V247 PolarHBondContact O-N 3.41Å; V244-A248 PolarHBondContact O-N 2.91Å
245K98.7Very high98.4Very high66 Ų6645.2 Ų45.229%0.28725%0.245SC..Hα-helixtrans-64.1-34.1176-64.3-169.9-178.8-170.40112.3A236 D238 A240 I241 P242 V247 A248 V251A236-K245 HydrophobicContact CB-CB 4.43Å; A236-K245 HydrophobicContact CB-CG 4Å; D238-K245 WeakPolarHBondContact O-CE 3.44Å; D238-K245 PolarHBondContact O-NZ 3.3Å; D238-K245 IonicContact OD1-NZ 3.69Å; D238-K245 PolarHBondContact OD1-NZ 2.95Å; A240-K245 HydrophobicContact CB-CG 4.09Å; A240-K245 WeakPolarHBondContact O-CE 3.47Å; I241-K245 PolarHBondContact O-N 3.23Å; P242-K245 PolarHBondContact O-N 3.02Å; P242-K245 VanDerWaalsContact O-N 3.1Å; K245-V247 VanDerWaalsContact C-N 3.34Å; K245-V247 PolarHBondContact O-N 3.02Å; K245-A248 PolarHBondContact O-N 3.2Å; K245-V251 HydrophobicContact CB-CG2 4.24Å; K245-V251 HydrophobicContact CD-CG1 4.26Å; K245-V251 HydrophobicContact CD-CG2 4.45Å; K245-V251 HydrophobicContact CG-CG2 4.28Å
246E98.5Very high98.4Very high160 Ų16050.6 Ų50.675%0.74827%0.273SS*.Hα-helixtrans-64.8-33.5179.9-76.8172.7-169.700113.6P242 V244P242-E246 WeakPolarHBondContact O-CG 3.47Å; P242-E246 PolarHBondContact O-N 3.47Å; V244-E246 VanDerWaalsContact C-N 3.28Å; V244-E246 PolarHBondContact O-N 3.28Å
247V98.5Very high98.4Very high44 Ų4455.4 Ų55.427%0.26730%0.296SS..Hα-helixtrans-92.2-13.4-179.6-60.60000113.7I225 I228 E229 V244 K245I225-V247 HydrophobicContact CG2-CG1 4.45Å; I225-V247 HydrophobicContact CG2-CG2 4.21Å; I228-V247 HydrophobicContact CG2-CG2 3.9Å; E229-V247 HydrophobicContact CG-CB 3.82Å; E229-V247 HydrophobicContact CG-CG1 4.13Å; E229-V247 HydrophobicContact CG-CG2 4.16Å; V244-V247 VanDerWaalsContact O-CG2 3.29Å; V244-V247 WeakPolarHBondContact O-CG2 3.44Å; V244-V247 PolarHBondContact O-N 3.41Å; K245-V247 VanDerWaalsContact C-N 3.34Å; K245-V247 PolarHBondContact O-N 3.02Å
248A98.6Very high98.4Very high19 Ų1957.8 Ų57.816%0.15731%0.308CS..  trans-77.7144.6-176.600000112.9I228 A236 V244 K245 F250I228-A248 HydrophobicContact CG2-CB 4.02Å; A236-A248 HydrophobicContact CB-CB 3.59Å; V244-A248 PolarHBondContact O-N 2.91Å; K245-A248 PolarHBondContact O-N 3.2Å; A248-F250 VanDerWaalsContact C-N 3.3Å
249N98.2Very high98.4Very high107 Ų10754 Ų5457%0.57229%0.288SS*.SBendtrans-76-23.7171.8-49.1119.5000112G234G234-N249 PolarHBondContact N-OD1 2.83Å; G234-N249 PolarHBondContact O-N 3.4Å
250F98.6Very high98.4Very high36 Ų3651.3 Ų51.316%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-147.2136.3-179.5178.7-119.1000111.3G234 V235 A236 A248 F262 K266 Y267G234-F250 PolarHBondContact O-N 2.84Å; V235-F250 VanDerWaalsContact CA-O 3.29Å; V235-F250 WeakPolarHBondContact CA-O 3.27Å; V235-F250 HydrophobicContact CG1-CD1 4.07Å; A236-F250 PolarHBondContact N-O 3.34Å; A248-F250 VanDerWaalsContact C-N 3.3Å; F250-F262 HydrophobicContact CE1-CD1 4.15Å; F250-F262 HydrophobicContact CE1-CE1 4.15Å; F250-F262 HydrophobicContact CZ-CD1 4.14Å; F250-F262 AromaticContact CZ-CE1 3.72Å; F250-F262 HydrophobicContact CZ-CE1 3.72Å; F250-K266 HydrophobicContact CD1-CD 4.41Å; F250-K266 HydrophobicContact CE1-CD 3.98Å; F250-K266 HydrophobicContact CE2-CD 4.38Å; F250-K266 HydrophobicContact CZ-CD 4Å; F250-Y267 HydrophobicContact CB-CE2 4.19Å; F250-Y267 WeakPolarHBondContact CB-OH 3.02Å; F250-Y267 AromaticContact CD1-CE2 3.67Å; F250-Y267 HydrophobicContact CD1-CE2 3.67Å; F250-Y267 HydrophobicContact CE1-CE2 4.35Å; F250-Y267 HydrophobicContact CG-CE2 4.02Å
251V98.8Very high98.5Very high56 Ų5651 Ų5134%0.33927%0.271SS..EExtended strand (participates in β ladder)trans-99.5114168.5-175.70000107.7A236 K245A236-V251 HydrophobicContact CB-CG2 4.43Å; A236-V251 CarbonylContact O-C 3.55Å; A236-V251 WeakPolarHBondContact O-CA 3.47Å; K245-V251 HydrophobicContact CB-CG2 4.24Å; K245-V251 HydrophobicContact CD-CG1 4.26Å; K245-V251 HydrophobicContact CD-CG2 4.45Å; K245-V251 HydrophobicContact CG-CG2 4.28Å
252T98.8Very high98.5Very high6 Ų652.5 Ų52.54%0.03728%0.276CS..  trans-85.5-174.4175.5-165.70000110.8V235 A236 M237 D238 G259 F262 A263V235-T252 HydrophobicContact CG1-CG2 3.65Å; A236-T252 PolarHBondContact O-N 3.34Å; M237-T252 HydrophobicContact CE-CG2 4.47Å; M237-T252 HydrophobicContact SD-CG2 3.55Å; M237-T252 VanDerWaalsContact SD-CG2 3.55Å; D238-T252 WeakPolarHBondContact CB-O 3.35Å; D238-T252 PolarHBondContact N-O 3.32Å; T252-G259 VanDerWaalsContact CG2-O 3.32Å; T252-G259 WeakPolarHBondContact CG2-O 3.4Å; T252-G259 PolarHBondContact OG1-O 2.83Å; T252-F262 WeakPolarHBondContact OG1-CD1 3.37Å; T252-A263 HydrophobicContact CG2-CB 4.45Å
253K98.7Very high98.6Very high85 Ų8548 Ų4837%0.3725%0.247SC..  trans-67.2172.6175-57.4176.1165.1-71.80111.8D238 E257 G259 F262D238-K253 PolarHBondContact N-O 3.27Å; D238-K253 VanDerWaalsContact N-O 3.13Å; K253-E257 HydrophobicContact CB-CB 3.87Å; K253-E257 HydrophobicContact CD-CB 4.2Å; K253-E257 VanDerWaalsContact CD-O 3.31Å; K253-E257 WeakPolarHBondContact CD-O 3.4Å; K253-G259 WeakPolarHBondContact O-CA 3.36Å; K253-F262 HydrophobicContact CD-CB 4.26Å; K253-F262 HydrophobicContact CD-CD2 4.09Å; K253-F262 HydrophobicContact CD-CG 4.18Å; K253-F262 HydrophobicContact CG-CB 4.49Å; K253-F262 HydrophobicContact CG-CG 4.31Å
254S98.7Very high98.6Very high14 Ų1445.8 Ų45.810%0.09823%0.231CC..  trans-68.3163.6172.165.10000111.6N239 L256 E257 D258 G259N239-S254 WeakPolarHBondContact OD1-CA 3.38Å; S254-L256 PolarHBondContact O-N 3.47Å; S254-E257 CarbonylContact O-C 3.39Å; S254-E257 PolarHBondContact O-N 3.36Å; S254-E257 WeakPolarHBondContact OG-CG 3.28Å; S254-E257 PolarHBondContact OG-N 2.89Å; S254-E257 PolarHBondContact OG-OE2 2.85Å; S254-E257 VanDerWaalsContact OG-OE2 3.06Å; S254-D258 PolarHBondContact O-N 3.47Å; S254-G259 PolarHBondContact O-N 3.4Å
255N98.3Very high98.6Very high21 Ų2150 Ų5011%0.11225%0.251CS..G310 helixtrans-60.3-30.8172.366.1-38.5000112.4G12 L15 L16 M237 N239 E257 D258G12-N255 WeakPolarHBondContact O-CB 3.26Å; L15-N255 PolarHBondContact O-ND2 2.94Å; L16-N255 WeakPolarHBondContact CD2-O 3.46Å; M237-N255 VanDerWaalsContact CE-CA 3.47Å; M237-N255 HydrophobicContact CE-CB 3.87Å; M237-N255 VanDerWaalsContact CE-N 3.28Å; N239-N255 PolarHBondContact OD1-N 3.26Å; N239-N255 PolarHBondContact OD1-OD1 3.31Å; N255-E257 PolarHBondContact O-N 3.2Å; N255-D258 PolarHBondContact O-N 3.33Å
256L98.4Very high98.6Very high112 Ų11251 Ų5159%0.58626%0.255SS*.G310 helixtrans-67-19.6173.8-58.9-178.9000113.7L16 P17 S254L16-L256 HydrophobicContact CD2-CD2 4.28Å; P17-L256 VanDerWaalsContact CD-CD2 3.44Å; P17-L256 HydrophobicContact CG-CD2 3.63Å; S254-L256 PolarHBondContact O-N 3.47Å
257E98.6Very high98.5Very high102 Ų10246.8 Ų46.848%0.47723%0.233SC..G310 helixtrans-117.129.7-177.4-64.8178103.700111.6K253 S254 N255 G259K253-E257 HydrophobicContact CB-CB 3.87Å; K253-E257 HydrophobicContact CD-CB 4.2Å; K253-E257 VanDerWaalsContact CD-O 3.31Å; K253-E257 WeakPolarHBondContact CD-O 3.4Å; S254-E257 CarbonylContact O-C 3.39Å; S254-E257 PolarHBondContact O-N 3.36Å; S254-E257 WeakPolarHBondContact OG-CG 3.28Å; S254-E257 PolarHBondContact OG-N 2.89Å; S254-E257 PolarHBondContact OG-OE2 2.85Å; S254-E257 VanDerWaalsContact OG-OE2 3.06Å; N255-E257 PolarHBondContact O-N 3.2Å; E257-G259 VanDerWaalsContact C-N 3.29Å; E257-G259 PolarHBondContact O-N 3.35Å
258D98.6Very high98.5Very high50 Ų5045.7 Ų45.727%0.26723%0.226SC..THydrogen-bonded Turntrans56.138.3175.8-58.8-44.3000113.7S22 A24 V25 S254 N255 V260 A261 F262S22-D258 WeakPolarHBondContact CB-OD1 3.44Å; S22-D258 PolarHBondContact OG-OD1 2.54Å; A24-D258 HydrophobicContact CB-CB 4.17Å; A24-D258 WeakPolarHBondContact CB-OD2 3.46Å; V25-D258 HydrophobicContact CG2-CB 4.23Å; S254-D258 PolarHBondContact O-N 3.47Å; N255-D258 PolarHBondContact O-N 3.33Å; D258-V260 PolarHBondContact O-N 2.87Å; D258-V260 VanDerWaalsContact O-N 3.1Å; D258-A261 HydrophobicContact CB-CB 4.05Å; D258-A261 WeakPolarHBondContact O-CA 3.39Å; D258-A261 WeakPolarHBondContact O-CB 3.39Å; D258-A261 PolarHBondContact O-N 3.29Å; D258-F262 PolarHBondContact O-N 3.46Å
259G98.8Very high98.4Very high0 Ų046.6 Ų46.60%023%0.228CC..Hα-helixtrans-52.3-34.8-17800000114.8T252 K253 S254 E257 F262 A263T252-G259 VanDerWaalsContact CG2-O 3.32Å; T252-G259 WeakPolarHBondContact CG2-O 3.4Å; T252-G259 PolarHBondContact OG1-O 2.83Å; K253-G259 WeakPolarHBondContact O-CA 3.36Å; S254-G259 PolarHBondContact O-N 3.4Å; E257-G259 VanDerWaalsContact C-N 3.29Å; E257-G259 PolarHBondContact O-N 3.35Å; G259-F262 PolarHBondContact O-N 3.01Å; G259-A263 WeakPolarHBondContact O-CB 3.35Å; G259-A263 PolarHBondContact O-N 2.84Å
260V98.9Very high97.8Very high1 Ų150 Ų501%0.00625%0.246CC..Hα-helixtrans-63-46.4172.9172.40000111.4I8 T13 L14 V25 I218 M237 D258 F262 A263 I264I8-V260 HydrophobicContact CD1-CG1 3.99Å; I8-V260 HydrophobicContact CG2-CG1 4.14Å; I8-V260 HydrophobicContact CG2-CG2 3.96Å; T13-V260 HydrophobicContact CG2-CG2 3.87Å; T13-V260 WeakPolarHBondContact O-CG2 3.37Å; L14-V260 HydrophobicContact CD1-CG1 4.42Å; V25-V260 HydrophobicContact CG1-CB 4.28Å; V25-V260 HydrophobicContact CG1-CG1 4.01Å; V25-V260 HydrophobicContact CG2-CB 4.23Å; I218-V260 HydrophobicContact CD1-CG1 4.25Å; I218-V260 HydrophobicContact CG2-CG2 4.36Å; M237-V260 HydrophobicContact CE-CG2 4.32Å; M237-V260 HydrophobicContact SD-CG2 4.17Å; D258-V260 PolarHBondContact O-N 2.87Å; D258-V260 VanDerWaalsContact O-N 3.1Å; V260-F262 PolarHBondContact O-N 3.24Å; V260-A263 PolarHBondContact O-N 3.42Å; V260-I264 HydrophobicContact CG1-CD1 3.85Å; V260-I264 VanDerWaalsContact O-CG1 3.29Å; V260-I264 WeakPolarHBondContact O-CG1 3.47Å; V260-I264 PolarHBondContact O-N 2.94Å
261A98.8Very high97.7Very high3 Ų350.7 Ų50.73%0.02525%0.251CS..Hα-helixtrans-61.8-45.6178.300000110.9A24 V25 A28 D258 A263 I264 E265A24-A261 HydrophobicContact CB-CB 4.34Å; V25-A261 HydrophobicContact CG2-CB 4.16Å; A28-A261 HydrophobicContact CB-CB 3.8Å; D258-A261 HydrophobicContact CB-CB 4.05Å; D258-A261 WeakPolarHBondContact O-CA 3.39Å; D258-A261 WeakPolarHBondContact O-CB 3.39Å; D258-A261 PolarHBondContact O-N 3.29Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 2.95Å; A261-I264 PolarHBondContact O-N 3.43Å; A261-E265 WeakPolarHBondContact O-CB 3.49Å; A261-E265 WeakPolarHBondContact O-CG 3.49Å; A261-E265 PolarHBondContact O-N 2.95Å
262F98.7Very high97.7Very high80 Ų8050.4 Ų50.435%0.35125%0.246SC..Hα-helixtrans-60-41.6178.6-172.6-88.6000112.5F250 T252 K253 D258 G259 V260 K266F250-F262 HydrophobicContact CE1-CD1 4.15Å; F250-F262 HydrophobicContact CE1-CE1 4.15Å; F250-F262 HydrophobicContact CZ-CD1 4.14Å; F250-F262 AromaticContact CZ-CE1 3.72Å; F250-F262 HydrophobicContact CZ-CE1 3.72Å; T252-F262 WeakPolarHBondContact OG1-CD1 3.37Å; K253-F262 HydrophobicContact CD-CB 4.26Å; K253-F262 HydrophobicContact CD-CD2 4.09Å; K253-F262 HydrophobicContact CD-CG 4.18Å; K253-F262 HydrophobicContact CG-CB 4.49Å; K253-F262 HydrophobicContact CG-CG 4.31Å; D258-F262 PolarHBondContact O-N 3.46Å; G259-F262 PolarHBondContact O-N 3.01Å; V260-F262 PolarHBondContact O-N 3.24Å; F262-K266 HydrophobicContact CE1-CD 4.49Å; F262-K266 WeakPolarHBondContact O-CB 3.25Å; F262-K266 PolarHBondContact O-N 3.14Å
263A98.7Very high97.6Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-66-44.117700000111.8I218 V235 T252 G259 V260 A261 K266 Y267I218-A263 HydrophobicContact CD1-CB 4.03Å; V235-A263 HydrophobicContact CG1-CB 4.09Å; T252-A263 HydrophobicContact CG2-CB 4.45Å; G259-A263 WeakPolarHBondContact O-CB 3.35Å; G259-A263 PolarHBondContact O-N 2.84Å; V260-A263 PolarHBondContact O-N 3.42Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 2.95Å; A263-K266 PolarHBondContact O-N 3.49Å; A263-Y267 WeakPolarHBondContact O-CD2 3.39Å; A263-Y267 PolarHBondContact O-N 3.19Å; A263-Y267 VanDerWaalsContact O-N 3.08Å
264I98.7Very high97.6Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-61.7-46.6176.6-67.1171.7000110.8I6 I8 A28 I29 A32 M216 V260 A261 K266 Y267 V268 L269I6-I264 HydrophobicContact CD1-CD1 4.47Å; I6-I264 HydrophobicContact CD1-CG1 4.06Å; I8-I264 HydrophobicContact CD1-CD1 4.38Å; A28-I264 HydrophobicContact CB-CB 4.15Å; A28-I264 HydrophobicContact CB-CD1 4.15Å; A28-I264 HydrophobicContact CB-CG2 4.1Å; I29-I264 HydrophobicContact CG1-CD1 3.88Å; A32-I264 HydrophobicContact CB-CG2 3.95Å; M216-I264 HydrophobicContact CE-CG1 4.06Å; V260-I264 HydrophobicContact CG1-CD1 3.85Å; V260-I264 VanDerWaalsContact O-CG1 3.29Å; V260-I264 WeakPolarHBondContact O-CG1 3.47Å; V260-I264 PolarHBondContact O-N 2.94Å; A261-I264 PolarHBondContact O-N 3.43Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 2.96Å; I264-Y267 PolarHBondContact O-N 3.46Å; I264-V268 HydrophobicContact CG2-CB 4.29Å; I264-V268 HydrophobicContact CG2-CG2 4.5Å; I264-V268 WeakPolarHBondContact O-CA 3.37Å; I264-V268 VanDerWaalsContact O-CB 3.25Å; I264-V268 WeakPolarHBondContact O-CB 3.31Å; I264-V268 PolarHBondContact O-N 2.61Å; I264-L269 HydrophobicContact CG2-CD1 4.1Å; I264-L269 HydrophobicContact CG2-CD2 4.07Å; I264-L269 HydrophobicContact CG2-CG 3.98Å; I264-L269 PolarHBondContact O-N 3.38Å
265E98.3Very high97.5Very high89 Ų8953.3 Ų53.342%0.41626%0.261SS..Iπ-helixtrans-55.4-48.3176.2-76.5172.7-177.900111.6A261 L269 N270A261-E265 WeakPolarHBondContact O-CB 3.49Å; A261-E265 WeakPolarHBondContact O-CG 3.49Å; A261-E265 PolarHBondContact O-N 2.95Å; E265-L269 HydrophobicContact CG-CD1 3.99Å; E265-L269 PolarHBondContact O-N 2.94Å; E265-N270 WeakPolarHBondContact O-CB 3.33Å; E265-N270 PolarHBondContact O-N 3.02Å; E265-N270 PolarHBondContact O-ND2 2.57Å; E265-N270 VanDerWaalsContact O-ND2 3.16Å
266K97.9Very high97.4Very high85 Ų8555.4 Ų55.437%0.3727%0.271SS..Iπ-helixtrans-65.1-41-177.2179.6174.6174-177.90114.3F250 F262 A263 I264F250-K266 HydrophobicContact CD1-CD 4.41Å; F250-K266 HydrophobicContact CE1-CD 3.98Å; F250-K266 HydrophobicContact CE2-CD 4.38Å; F250-K266 HydrophobicContact CZ-CD 4Å; F262-K266 HydrophobicContact CE1-CD 4.49Å; F262-K266 WeakPolarHBondContact O-CB 3.25Å; F262-K266 PolarHBondContact O-N 3.14Å; A263-K266 PolarHBondContact O-N 3.49Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 2.96Å
267Y97.9Very high97.4Very high72 Ų7251.4 Ų51.428%0.28225%0.248SC..Iπ-helixtrans-106-10.8-169.9-71.9-78.1000114.7M216 V233 F250 A263 I264M216-Y267 HydrophobicContact SD-CD2 4.03Å; M216-Y267 HydrophobicContact SD-CG 4.2Å; V233-Y267 HydrophobicContact CG1-CD1 3.86Å; V233-Y267 HydrophobicContact CG1-CD2 4.08Å; V233-Y267 HydrophobicContact CG1-CE1 3.75Å; V233-Y267 HydrophobicContact CG1-CE2 4Å; V233-Y267 HydrophobicContact CG1-CG 4.03Å; V233-Y267 HydrophobicContact CG2-CD1 4.26Å; V233-Y267 HydrophobicContact CG2-CE1 4.42Å; F250-Y267 HydrophobicContact CB-CE2 4.19Å; F250-Y267 WeakPolarHBondContact CB-OH 3.02Å; F250-Y267 AromaticContact CD1-CE2 3.67Å; F250-Y267 HydrophobicContact CD1-CE2 3.67Å; F250-Y267 HydrophobicContact CE1-CE2 4.35Å; F250-Y267 HydrophobicContact CG-CE2 4.02Å; A263-Y267 WeakPolarHBondContact O-CD2 3.39Å; A263-Y267 PolarHBondContact O-N 3.19Å; A263-Y267 VanDerWaalsContact O-N 3.08Å; I264-Y267 PolarHBondContact O-N 3.46Å
268V97.6Very high97.3Very high22 Ų2247.5 Ų47.513%0.13323%0.23CC..Iπ-helixtrans-129-39.2-173.4-171.50000112.9I3 I6 A32 V37 M216 I264I3-V268 HydrophobicContact CB-CG2 4.14Å; I3-V268 HydrophobicContact CG1-CG2 4.43Å; I3-V268 HydrophobicContact CG2-CG2 4.28Å; I6-V268 HydrophobicContact CD1-CG2 3.92Å; A32-V268 HydrophobicContact CB-CG1 4.15Å; V37-V268 HydrophobicContact CG2-CG1 3.83Å; M216-V268 HydrophobicContact CE-CG2 4.09Å; I264-V268 HydrophobicContact CG2-CB 4.29Å; I264-V268 HydrophobicContact CG2-CG2 4.5Å; I264-V268 WeakPolarHBondContact O-CA 3.37Å; I264-V268 VanDerWaalsContact O-CB 3.25Å; I264-V268 WeakPolarHBondContact O-CB 3.31Å; I264-V268 PolarHBondContact O-N 2.61Å
269L95.9Very high97.2Very high37 Ų3747.3 Ų47.319%0.19423%0.227CC..Iπ-helixtrans-97.3-25.8-170.3-43-175.5000113.8A31 A32 R35 I264 E265A31-L269 HydrophobicContact CB-CD1 3.89Å; A31-L269 HydrophobicContact CB-CD2 4.03Å; A32-L269 HydrophobicContact CB-CD2 4.47Å; R35-L269 PolarHBondContact NH2-O 3.23Å; I264-L269 HydrophobicContact CG2-CD1 4.1Å; I264-L269 HydrophobicContact CG2-CD2 4.07Å; I264-L269 HydrophobicContact CG2-CG 3.98Å; I264-L269 PolarHBondContact O-N 3.38Å; E265-L269 HydrophobicContact CG-CD1 3.99Å; E265-L269 PolarHBondContact O-N 2.94Å
270N85.8Confident97Very high178 Ų17851.5 Ų51.595%0.95225%0.248SC*.  trans-98.70175.3-66.1-32.5000111.9E265E265-N270 WeakPolarHBondContact O-CB 3.33Å; E265-N270 PolarHBondContact O-N 3.02Å; E265-N270 PolarHBondContact O-ND2 2.57Å; E265-N270 VanDerWaalsContact O-ND2 3.16Å

Retrieved 270 of 270 residues in 247 ms (Link to these results)

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